smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000391790049 677677857 /nfs/dbraw/zinc/67/78/57/677677857.db2.gz AKIJQUJFTXPXJG-UHFFFAOYSA-N 0 1 380.810 1.290 20 0 GDADMN O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1nnc(C(F)(F)F)s1 ZINC001055031884 677679642 /nfs/dbraw/zinc/67/96/42/677679642.db2.gz AWWIQMWKMRAQRG-VWYCJHECSA-N 0 1 375.420 1.879 20 0 GDADMN CS(=O)(=O)N(Cc1noc2c1CNCC2)c1ncccc1CN1CCCC1 ZINC001164653808 719327405 /nfs/dbraw/zinc/32/74/05/719327405.db2.gz ILDJFFRUSXYMQK-UHFFFAOYSA-N 0 1 391.497 1.277 20 0 GDADMN CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCN(CC(C)C)CC1 ZINC001164654456 719335429 /nfs/dbraw/zinc/33/54/29/719335429.db2.gz QFIRJMCOVRJXGQ-UHFFFAOYSA-N 0 1 377.489 1.268 20 0 GDADMN CN1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@H]21 ZINC001164668551 719464983 /nfs/dbraw/zinc/46/49/83/719464983.db2.gz QNYOTXDQFRDYKR-RTBURBONSA-N 0 1 380.496 1.322 20 0 GDADMN COC(=O)c1cc(F)c(C)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742684 720696750 /nfs/dbraw/zinc/69/67/50/720696750.db2.gz WIYOGJKRCXQNND-ZIAGYGMSSA-N 0 1 387.415 1.448 20 0 GDADMN C[C@@H]1CC(=O)Nc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c21 ZINC001164738398 720704740 /nfs/dbraw/zinc/70/47/40/720704740.db2.gz JDJDPSUXUXCGJF-RDBSUJKOSA-N 0 1 381.440 1.054 20 0 GDADMN CC(C)c1nc(N(C)C)nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164773975 721155664 /nfs/dbraw/zinc/15/56/64/721155664.db2.gz ZPLIJRXTICGOEA-IAGOWNOFSA-N 0 1 384.532 1.753 20 0 GDADMN Cn1cc(CN2CC[C@@H]3CN(c4ncc5ncnc(Cl)c5n4)C[C@H]3C2)cn1 ZINC001164765920 721167429 /nfs/dbraw/zinc/16/74/29/721167429.db2.gz IPMVMESARUJKQT-ZIAGYGMSSA-N 0 1 384.875 1.765 20 0 GDADMN CON(C)C(=O)c1cccnc1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164772853 721173594 /nfs/dbraw/zinc/17/35/94/721173594.db2.gz VOBOKFFZFBKEKE-SJORKVTESA-N 0 1 384.484 1.407 20 0 GDADMN NC(=O)c1ccnc(Cl)c1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880759 721177048 /nfs/dbraw/zinc/17/70/48/721177048.db2.gz XOPKADYDVLXBGL-GJZGRUSLSA-N 0 1 387.871 1.709 20 0 GDADMN CCCNC(=O)c1cccnc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761996 721196215 /nfs/dbraw/zinc/19/62/15/721196215.db2.gz BNWDGYOWEAGNNJ-ROUUACIJSA-N 0 1 382.512 1.913 20 0 GDADMN CCN1C(=O)[C@]2(CC[C@H]3CN(c4cccc(N5CCN(C)CC5)n4)C[C@H]32)N=C1C ZINC001164871675 721230255 /nfs/dbraw/zinc/23/02/55/721230255.db2.gz KHMKFHAGYAJSDA-NJNPRVFISA-N 0 1 396.539 1.699 20 0 GDADMN CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164765452 721242161 /nfs/dbraw/zinc/24/21/61/721242161.db2.gz RABRPLVWFZXPNS-KBPBESRZSA-N 0 1 389.891 1.181 20 0 GDADMN CCc1ncnc(Cl)c1N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164868598 721263438 /nfs/dbraw/zinc/26/34/38/721263438.db2.gz DSVGUOBQRWZTCD-UHFFFAOYSA-N 0 1 395.935 1.699 20 0 GDADMN CN1CCN(c2cccc(N3CC[C@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)n2)CC1 ZINC001164884202 721343124 /nfs/dbraw/zinc/34/31/24/721343124.db2.gz NFALIIUFXMZKRK-XMSQKQJNSA-N 0 1 399.539 1.345 20 0 GDADMN COC(=O)c1nccnc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164892821 721390422 /nfs/dbraw/zinc/39/04/22/721390422.db2.gz SUMICIGFVDRIFY-UZLBHIALSA-N 0 1 389.500 1.029 20 0 GDADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(OC(F)F)cn4)C3)O2)CC1 ZINC001164889472 721421023 /nfs/dbraw/zinc/42/10/23/721421023.db2.gz QWOVUTVEFARLFC-BEFAXECRSA-N 0 1 397.470 1.843 20 0 GDADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nnc5ccccc5n4)C3)O2)CC1 ZINC001164899514 721439444 /nfs/dbraw/zinc/43/94/44/721439444.db2.gz YVGHBVOURQXGFK-DYESRHJHSA-N 0 1 382.512 1.790 20 0 GDADMN CN1CCN(Cc2cn3c(n2)CN(c2ncnc4cc(F)ccc42)CC3)CC1 ZINC001164796641 721509493 /nfs/dbraw/zinc/50/94/93/721509493.db2.gz VBOIRPAPOIBANI-UHFFFAOYSA-N 0 1 381.459 1.733 20 0 GDADMN Cc1nc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)nc2ccccc12 ZINC001164794555 721512409 /nfs/dbraw/zinc/51/24/09/721512409.db2.gz RWYHIEQAIUJWGA-UHFFFAOYSA-N 0 1 377.496 1.902 20 0 GDADMN Cc1noc(-c2cccnc2N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164799075 721519215 /nfs/dbraw/zinc/51/92/15/721519215.db2.gz WJSMWBXOTILNFT-UHFFFAOYSA-N 0 1 394.483 1.404 20 0 GDADMN COC(=O)c1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1N ZINC001164799895 721543393 /nfs/dbraw/zinc/54/33/93/721543393.db2.gz BRECWYDIJFTJOH-WSTZPKSXSA-N 0 1 397.479 1.714 20 0 GDADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@@H]2CCCO[C@@H]12 ZINC001164803023 721560385 /nfs/dbraw/zinc/56/03/85/721560385.db2.gz JFQXPKVODVNDMY-JXXFODFXSA-N 0 1 395.463 1.676 20 0 GDADMN COc1cnc(SC)nc1N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001165007438 721731043 /nfs/dbraw/zinc/73/10/43/721731043.db2.gz CTKUVSMKUUQTFJ-UHFFFAOYSA-N 0 1 379.530 1.730 20 0 GDADMN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4[nH]cnc43)C[C@H]21 ZINC001164943073 721935437 /nfs/dbraw/zinc/93/54/37/721935437.db2.gz NLSQQAOTBSYZPV-CHWSQXEVSA-N 0 1 389.847 1.701 20 0 GDADMN CN1c2ccccc2[C@@]2(CCN(c3ccc(N4CCN(C)CC4)nn3)C2)C1=O ZINC001164979890 722161533 /nfs/dbraw/zinc/16/15/33/722161533.db2.gz LPCFXJUSPIYDLF-NRFANRHFSA-N 0 1 378.480 1.353 20 0 GDADMN CN1c2ccccc2[C@]2(CCN(c3cccc(N4CCN(C)CC4)n3)C2)C1=O ZINC001164980552 722162191 /nfs/dbraw/zinc/16/21/91/722162191.db2.gz NDGWGEWQZNOQRB-JOCHJYFZSA-N 0 1 377.492 1.958 20 0 GDADMN O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000738464629 939058294 /nfs/dbraw/zinc/05/82/94/939058294.db2.gz NPVGQITXURDAAU-HSZRJFAPSA-N 0 1 393.487 1.847 20 0 GDADMN CN1CC[N@@H+](CCCNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)[C@@H](c2ccccc2)C1 ZINC000780393018 939114855 /nfs/dbraw/zinc/11/48/55/939114855.db2.gz QCPOFXBWVMLXFI-WIYYLYMNSA-N 0 1 388.512 1.918 20 0 GDADMN C[N@@H+]1CCN(CCCNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)[C@@H](c2ccccc2)C1 ZINC000780393018 939114858 /nfs/dbraw/zinc/11/48/58/939114858.db2.gz QCPOFXBWVMLXFI-WIYYLYMNSA-N 0 1 388.512 1.918 20 0 GDADMN C[N@H+]1CCN(CCCNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)[C@@H](c2ccccc2)C1 ZINC000780393018 939114861 /nfs/dbraw/zinc/11/48/61/939114861.db2.gz QCPOFXBWVMLXFI-WIYYLYMNSA-N 0 1 388.512 1.918 20 0 GDADMN C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000780584588 939138970 /nfs/dbraw/zinc/13/89/70/939138970.db2.gz QIWCHRMJFUCMQN-GZRFBZBPSA-N 0 1 375.469 1.828 20 0 GDADMN C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000780584588 939138971 /nfs/dbraw/zinc/13/89/71/939138971.db2.gz QIWCHRMJFUCMQN-GZRFBZBPSA-N 0 1 375.469 1.828 20 0 GDADMN CC(C)[C@@H](CNC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)[NH+]1CCOCC1 ZINC000908773007 939319359 /nfs/dbraw/zinc/31/93/59/939319359.db2.gz ZWXVEUDNSVZDHN-YLJYHZDGSA-N 0 1 375.469 1.569 20 0 GDADMN O=C([O-])[C@]1(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCSC1 ZINC000908832628 939332394 /nfs/dbraw/zinc/33/23/94/939332394.db2.gz KKSZLZDEHNZORO-SFHVURJKSA-N 0 1 378.498 1.068 20 0 GDADMN COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC000908945354 939360456 /nfs/dbraw/zinc/36/04/56/939360456.db2.gz ADXWIHDKJQPCAI-UONOGXRCSA-N 0 1 389.374 1.851 20 0 GDADMN Cc1cccc([C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])c1C ZINC000908990228 939367222 /nfs/dbraw/zinc/36/72/22/939367222.db2.gz UULGHMJHDSEVHZ-QFBILLFUSA-N 0 1 388.512 1.897 20 0 GDADMN Cc1cccc([C@@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])c1C ZINC000908990228 939367225 /nfs/dbraw/zinc/36/72/25/939367225.db2.gz UULGHMJHDSEVHZ-QFBILLFUSA-N 0 1 388.512 1.897 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000909093675 939380464 /nfs/dbraw/zinc/38/04/64/939380464.db2.gz BYBJBFSAUVDDMS-NRSFXHEJSA-N 0 1 375.469 1.828 20 0 GDADMN O=C([O-])[C@@H](NC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000909126161 939383421 /nfs/dbraw/zinc/38/34/21/939383421.db2.gz KOPKQQNYXUZPDF-INIZCTEOSA-N 0 1 380.876 1.624 20 0 GDADMN CCN1CC[NH+](CCC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)CC1 ZINC000909796153 939734851 /nfs/dbraw/zinc/73/48/51/939734851.db2.gz NDEYCAWFJCGZPM-QGZVFWFLSA-N 0 1 383.876 1.618 20 0 GDADMN COc1cccc([C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C(=O)[O-])c1 ZINC000909945132 939744776 /nfs/dbraw/zinc/74/47/76/939744776.db2.gz MGSDNYAQUVPNNK-MOPGFXCFSA-N 0 1 384.432 1.838 20 0 GDADMN COc1cccc([C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C(=O)[O-])c1 ZINC000909945132 939744779 /nfs/dbraw/zinc/74/47/79/939744779.db2.gz MGSDNYAQUVPNNK-MOPGFXCFSA-N 0 1 384.432 1.838 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000819867944 945302456 /nfs/dbraw/zinc/30/24/56/945302456.db2.gz VQBQPXUKABDDOG-KBPBESRZSA-N 0 1 380.456 1.492 20 0 GDADMN CC(C)(C)c1nc([C@H]2CN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CCO2)n[nH]1 ZINC000819965406 945317321 /nfs/dbraw/zinc/31/73/21/945317321.db2.gz FQWDWUMPLZQMNO-CQSZACIVSA-N 0 1 395.471 1.744 20 0 GDADMN CC(C)(C)c1nnc([C@H]2CN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CCO2)[nH]1 ZINC000819965406 945317326 /nfs/dbraw/zinc/31/73/26/945317326.db2.gz FQWDWUMPLZQMNO-CQSZACIVSA-N 0 1 395.471 1.744 20 0 GDADMN O=C([O-])CNC(=O)C[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC001611471029 971070271 /nfs/dbraw/zinc/07/02/71/971070271.db2.gz IZTSKYBLLLTBKB-UHFFFAOYSA-N 0 1 376.331 1.069 20 0 GDADMN CC(C)[N@@H+](C)CC1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000735857269 944705884 /nfs/dbraw/zinc/70/58/84/944705884.db2.gz RJFCEKWOIDLPEP-UHFFFAOYSA-N 0 1 377.518 1.919 20 0 GDADMN CC1(C)CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736211366 944764117 /nfs/dbraw/zinc/76/41/17/944764117.db2.gz POQTXBXUKIEFIB-UHFFFAOYSA-N 0 1 383.456 1.710 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000737298069 945031908 /nfs/dbraw/zinc/03/19/08/945031908.db2.gz NOLMOJRBMVKRSS-KBPBESRZSA-N 0 1 378.502 1.716 20 0 GDADMN Cc1noc([C@@H](C)NC[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571260417 945414373 /nfs/dbraw/zinc/41/43/73/945414373.db2.gz RXGSBCIRGSWRTH-ZYHUDNBSSA-N 0 1 385.432 1.089 20 0 GDADMN CO[C@H]1CCC[C@@H](CC(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571263952 945471714 /nfs/dbraw/zinc/47/17/14/945471714.db2.gz COJSBGAOASHJAU-KBXIAJHMSA-N 0 1 385.472 1.338 20 0 GDADMN Cc1cc(N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264096 945475181 /nfs/dbraw/zinc/47/51/81/945475181.db2.gz GCWIBVZPKYUAME-CABCVRRESA-N 0 1 385.472 1.424 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)C3CCOCC3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264959 945495080 /nfs/dbraw/zinc/49/50/80/945495080.db2.gz ABJAJDATKUNYIK-MRXNPFEDSA-N 0 1 385.472 1.068 20 0 GDADMN COCC(=O)N1CC[C@@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)[C@@H](C)C1 ZINC001571266225 945533741 /nfs/dbraw/zinc/53/37/41/945533741.db2.gz YEFJPUABRJYOKI-IUCAKERBSA-N 0 1 385.881 1.520 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)CC[C@@H]3CCCO3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266697 945549577 /nfs/dbraw/zinc/54/95/77/945549577.db2.gz XBMGMKXDMJUIFE-HACGYAERSA-N 0 1 385.472 1.210 20 0 GDADMN Cc1cc(NCC2CCN(C(=O)C[C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266756 945551812 /nfs/dbraw/zinc/55/18/12/945551812.db2.gz YPZSWMMDVBQFPD-OAHLLOKOSA-N 0 1 385.472 1.069 20 0 GDADMN O=C(c1ncc(F)cc1F)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571267132 945563542 /nfs/dbraw/zinc/56/35/42/945563542.db2.gz KHZRDQFAAWFKJM-LLVKDONJSA-N 0 1 386.366 1.074 20 0 GDADMN CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571271559 945644002 /nfs/dbraw/zinc/64/40/02/945644002.db2.gz DKTKSQXOHRFMKK-HAQNSBGRSA-N 0 1 386.485 1.504 20 0 GDADMN CCn1nc(C)cc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571271559 945644005 /nfs/dbraw/zinc/64/40/05/945644005.db2.gz DKTKSQXOHRFMKK-HAQNSBGRSA-N 0 1 386.485 1.504 20 0 GDADMN Cc1nc(CNC[C@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(C)s1 ZINC001571272356 945660293 /nfs/dbraw/zinc/66/02/93/945660293.db2.gz SQIFBLBJERXLAE-CYBMUJFWSA-N 0 1 386.485 1.663 20 0 GDADMN CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001571272551 945665595 /nfs/dbraw/zinc/66/55/95/945665595.db2.gz WOMTZXPNSQYKAQ-BJHJDKERSA-N 0 1 386.485 1.443 20 0 GDADMN CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001571272551 945665597 /nfs/dbraw/zinc/66/55/97/945665597.db2.gz WOMTZXPNSQYKAQ-BJHJDKERSA-N 0 1 386.485 1.443 20 0 GDADMN C[C@H]1C[C@H](NCc2ccncc2Cl)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571275287 945704967 /nfs/dbraw/zinc/70/49/67/945704967.db2.gz RVODSUHLTFEQSZ-GWCFXTLKSA-N 0 1 386.847 1.636 20 0 GDADMN Cc1nc(C(=O)N2CC[C@H]([C@H](C)[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)co1 ZINC001571281423 945804722 /nfs/dbraw/zinc/80/47/22/945804722.db2.gz IKBJLURILCFOFX-JQWIXIFHSA-N 0 1 387.469 1.865 20 0 GDADMN Cc1nc(C(=O)N2CC[C@H]([C@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)co1 ZINC001571281423 945804728 /nfs/dbraw/zinc/80/47/28/945804728.db2.gz IKBJLURILCFOFX-JQWIXIFHSA-N 0 1 387.469 1.865 20 0 GDADMN Cc1nocc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281653 945810193 /nfs/dbraw/zinc/81/01/93/945810193.db2.gz KUEKTNSQFUXJCF-LBPRGKRZSA-N 0 1 387.469 1.867 20 0 GDADMN Cc1nocc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281653 945810200 /nfs/dbraw/zinc/81/02/00/945810200.db2.gz KUEKTNSQFUXJCF-LBPRGKRZSA-N 0 1 387.469 1.867 20 0 GDADMN Cc1nocc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281653 945810205 /nfs/dbraw/zinc/81/02/05/945810205.db2.gz KUEKTNSQFUXJCF-LBPRGKRZSA-N 0 1 387.469 1.867 20 0 GDADMN Cc1nocc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281653 945810219 /nfs/dbraw/zinc/81/02/19/945810219.db2.gz KUEKTNSQFUXJCF-LBPRGKRZSA-N 0 1 387.469 1.867 20 0 GDADMN Cc1ncoc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571281813 945816977 /nfs/dbraw/zinc/81/69/77/945816977.db2.gz OLUWACAXDIRDIC-AAEUAGOBSA-N 0 1 387.469 1.913 20 0 GDADMN Cc1ncoc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571281813 945816992 /nfs/dbraw/zinc/81/69/92/945816992.db2.gz OLUWACAXDIRDIC-AAEUAGOBSA-N 0 1 387.469 1.913 20 0 GDADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N[C@@H]3C[C@H]3[C@H]3CCCO3)CC2)o1 ZINC001571282716 945857954 /nfs/dbraw/zinc/85/79/54/945857954.db2.gz OIAODQYQIIAIDN-MGPQQGTHSA-N 0 1 387.444 1.063 20 0 GDADMN CCc1cc(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)n[nH]1 ZINC001571283915 945894883 /nfs/dbraw/zinc/89/48/83/945894883.db2.gz KYNSRZGWNIJGAN-LLVKDONJSA-N 0 1 387.835 1.527 20 0 GDADMN CC[C@@H](C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1)[NH+](C)C ZINC001571285213 945911232 /nfs/dbraw/zinc/91/12/32/945911232.db2.gz ZMPXZDVFWUPSPY-ZFWWWQNUSA-N 0 1 387.492 1.098 20 0 GDADMN O=C(c1cnsn1)N1CCC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571287620 945975781 /nfs/dbraw/zinc/97/57/81/945975781.db2.gz GGJIQRIYYLNRET-LBPRGKRZSA-N 0 1 388.432 1.252 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1(F)CCCCC1 ZINC001571289791 946017923 /nfs/dbraw/zinc/01/79/23/946017923.db2.gz MOACHKZKHVEBIN-STQMWFEESA-N 0 1 388.451 1.448 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCC2(CN(Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001571290078 946028859 /nfs/dbraw/zinc/02/88/59/946028859.db2.gz USGFRVZYMWMWMC-AWEZNQCLSA-N 0 1 388.497 1.532 20 0 GDADMN CC[C@@H](C(=O)N1CCC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571294490 946136705 /nfs/dbraw/zinc/13/67/05/946136705.db2.gz HNRBUCIUTQOWBB-CJNGLKHVSA-N 0 1 389.479 1.997 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1 ZINC001571295996 946183125 /nfs/dbraw/zinc/18/31/25/946183125.db2.gz LXASMMKSIXWFGS-DZFIZOCASA-N 0 1 390.447 1.736 20 0 GDADMN O=C([C@H]1C[C@@H]1C(F)F)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571296170 946186697 /nfs/dbraw/zinc/18/66/97/946186697.db2.gz PMROCKCPFNZSQC-RHYQMDGZSA-N 0 1 390.398 1.128 20 0 GDADMN O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(C2CC2)cc1 ZINC001571298782 946229421 /nfs/dbraw/zinc/22/94/21/946229421.db2.gz QYILPVBUIOAWPZ-DRQUAOQDSA-N 0 1 390.451 1.577 20 0 GDADMN C[C@@](O)(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571300102 946272501 /nfs/dbraw/zinc/27/25/01/946272501.db2.gz UXSUZGSLKFNGGE-KPZWWZAWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@](O)(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571300102 946272514 /nfs/dbraw/zinc/27/25/14/946272514.db2.gz UXSUZGSLKFNGGE-KPZWWZAWSA-N 0 1 390.513 1.417 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1ccncc1-c1nn[nH]n1 ZINC001571301951 946287788 /nfs/dbraw/zinc/28/77/88/946287788.db2.gz IWXIZIPGSAAMFF-AGIUHOORSA-N 0 1 391.426 1.838 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571302341 946299830 /nfs/dbraw/zinc/29/98/30/946299830.db2.gz VCMWWUQESKGRJM-VXGBXAGGSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@H](C(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)C(C)(F)F ZINC001571302350 946301337 /nfs/dbraw/zinc/30/13/37/946301337.db2.gz VMKVYLBLLVGRCI-XIKOKIGWSA-N 0 1 391.426 1.982 20 0 GDADMN COc1ccccc1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571303985 946355304 /nfs/dbraw/zinc/35/53/04/946355304.db2.gz UIZQEABUDWLYKQ-OKILXGFUSA-N 0 1 391.435 1.479 20 0 GDADMN C[C@]1(NC(=O)c2cccnn2)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571306071 946385649 /nfs/dbraw/zinc/38/56/49/946385649.db2.gz OZWIFFGMJZUINC-AWEZNQCLSA-N 0 1 391.848 1.165 20 0 GDADMN O=S(=O)(c1ccsc1-c1nn[nH]n1)N1CCC[C@@]1(CO)c1ccccc1 ZINC001571306613 946405321 /nfs/dbraw/zinc/40/53/21/946405321.db2.gz MEXPZEWVJWISQR-MRXNPFEDSA-N 0 1 391.478 1.601 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571307580 946424507 /nfs/dbraw/zinc/42/45/07/946424507.db2.gz FNOFJTIGHDRQNV-QWRGUYRKSA-N 0 1 392.414 1.020 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571308594 946436077 /nfs/dbraw/zinc/43/60/77/946436077.db2.gz RYZSVWNPTCNDOZ-WOPDTQHZSA-N 0 1 392.414 1.566 20 0 GDADMN O=C(NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCC(F)(F)C1 ZINC001571309478 946444281 /nfs/dbraw/zinc/44/42/81/946444281.db2.gz BDXXGCWPRLILSS-LLVKDONJSA-N 0 1 392.414 1.567 20 0 GDADMN Cc1nc[nH]c1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571313470 946523565 /nfs/dbraw/zinc/52/35/65/946523565.db2.gz OZIKOFXVAQLCSW-FQEVSTJZSA-N 0 1 392.467 1.636 20 0 GDADMN Cc1cc(NC[C@]2(C)CCN(C(=O)c3ncccc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316330 946575065 /nfs/dbraw/zinc/57/50/65/946575065.db2.gz ZZFURTVHHOHCJR-FQEVSTJZSA-N 0 1 392.467 1.660 20 0 GDADMN O=C(NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1cc2c([nH]1)CCCC2 ZINC001571316770 946587467 /nfs/dbraw/zinc/58/74/67/946587467.db2.gz MGGFNJDKKVBBNZ-UHFFFAOYSA-N 0 1 392.467 1.511 20 0 GDADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H](CNCc2csc(Cl)n2)C1 ZINC001571317775 946620983 /nfs/dbraw/zinc/62/09/83/946620983.db2.gz VORHQMLENLALDM-VIFPVBQESA-N 0 1 392.876 1.557 20 0 GDADMN C[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317936 946623366 /nfs/dbraw/zinc/62/33/66/946623366.db2.gz ZFJHXKVVYBKOPS-WPRPVWTQSA-N 0 1 392.876 1.806 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccnn1C1CCC1 ZINC001571317850 946624574 /nfs/dbraw/zinc/62/45/74/946624574.db2.gz XGQOSJUNFXBYNO-INIZCTEOSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001573585614 947262455 /nfs/dbraw/zinc/26/24/55/947262455.db2.gz HGVDQVLFAXHHDL-CHWSQXEVSA-N 0 1 383.431 1.885 20 0 GDADMN CCOc1cccc([C@@H]2C[C@@H]2N[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648736 947270220 /nfs/dbraw/zinc/27/02/20/947270220.db2.gz ACZCBSBHSPEOPY-BZSNNMDCSA-N 0 1 378.436 1.938 20 0 GDADMN CN(C[C@H]1CC=CCC1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000825909155 947368266 /nfs/dbraw/zinc/36/82/66/947368266.db2.gz SGGCBFLDRYGFEO-XOBRGWDASA-N 0 1 395.467 1.879 20 0 GDADMN C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573594057 947387828 /nfs/dbraw/zinc/38/78/28/947387828.db2.gz WXFXENXZMCICEW-YPMHNXCESA-N 0 1 384.469 1.559 20 0 GDADMN C[C@@H](C(=O)N(C)[C@H](c1ncc[nH]1)c1ccc(F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573595226 947417579 /nfs/dbraw/zinc/41/75/79/947417579.db2.gz WSWOMVIIDRJLAY-GWCFXTLKSA-N 0 1 396.390 1.129 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC001573598850 947446394 /nfs/dbraw/zinc/44/63/94/947446394.db2.gz SMNSBEXAMQQISO-CRAIPNDOSA-N 0 1 379.468 1.962 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573599303 947454622 /nfs/dbraw/zinc/45/46/22/947454622.db2.gz XGUDBWTXZLGXFG-IUCAKERBSA-N 0 1 392.407 1.036 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573599303 947454631 /nfs/dbraw/zinc/45/46/31/947454631.db2.gz XGUDBWTXZLGXFG-IUCAKERBSA-N 0 1 392.407 1.036 20 0 GDADMN COc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)nc1 ZINC000826195571 947593421 /nfs/dbraw/zinc/59/34/21/947593421.db2.gz YIPQJPVTPKIYPF-UHFFFAOYSA-N 0 1 382.428 1.458 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573615772 947611105 /nfs/dbraw/zinc/61/11/05/947611105.db2.gz KLIFDSCHOZWMMD-OLZOCXBDSA-N 0 1 382.428 1.126 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573616189 947619664 /nfs/dbraw/zinc/61/96/64/947619664.db2.gz VRDDMQJXEDHDOH-MXWKQRLJSA-N 0 1 378.387 1.128 20 0 GDADMN C[C@H](C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)C(F)(F)F ZINC001573616383 947620770 /nfs/dbraw/zinc/62/07/70/947620770.db2.gz VSHWQCQDTNZSMI-SKDRFNHKSA-N 0 1 383.378 1.531 20 0 GDADMN C[C@H](C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)n1cccc1 ZINC001573616510 947624090 /nfs/dbraw/zinc/62/40/90/947624090.db2.gz WWAPCMYXBKINPK-CJNGLKHVSA-N 0 1 380.456 1.395 20 0 GDADMN C=Cc1ccc(C(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001573356669 947653151 /nfs/dbraw/zinc/65/31/51/947653151.db2.gz ZWDNEWLQYCOKFD-UHFFFAOYSA-N 0 1 375.436 1.947 20 0 GDADMN C[C@@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573618804 947655227 /nfs/dbraw/zinc/65/52/27/947655227.db2.gz SFBLYJKWHGDLEY-AWEZNQCLSA-N 0 1 380.456 1.752 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cnn(C)c1 ZINC001573625976 947703992 /nfs/dbraw/zinc/70/39/92/947703992.db2.gz RBNOIQHDWWSREI-DGCLKSJQSA-N 0 1 386.485 1.156 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001573625976 947704002 /nfs/dbraw/zinc/70/40/02/947704002.db2.gz RBNOIQHDWWSREI-DGCLKSJQSA-N 0 1 386.485 1.156 20 0 GDADMN C/C(=C\C(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C1CC1 ZINC001573362785 947704952 /nfs/dbraw/zinc/70/49/52/947704952.db2.gz LLIIDYXPBHITGJ-NRUITVPNSA-N 0 1 381.484 1.999 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573627433 947725455 /nfs/dbraw/zinc/72/54/55/947725455.db2.gz BHOIHWMMDUEXEU-DGCLKSJQSA-N 0 1 384.469 1.347 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573628494 947757526 /nfs/dbraw/zinc/75/75/26/947757526.db2.gz MDMXMBBMTNGJHK-CABCVRRESA-N 0 1 380.456 1.752 20 0 GDADMN CC(=O)CCCC(=O)N(C)C[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573367718 947762644 /nfs/dbraw/zinc/76/26/44/947762644.db2.gz GROOQOHRRWFWQI-MRVPVSSYSA-N 0 1 385.881 1.995 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573369672 947776791 /nfs/dbraw/zinc/77/67/91/947776791.db2.gz WKDPWGHIROXVRQ-OCCSQVGLSA-N 0 1 390.513 1.872 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573369672 947776797 /nfs/dbraw/zinc/77/67/97/947776797.db2.gz WKDPWGHIROXVRQ-OCCSQVGLSA-N 0 1 390.513 1.872 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573369852 947778236 /nfs/dbraw/zinc/77/82/36/947778236.db2.gz YCHQYYDADFTQGX-WFASDCNBSA-N 0 1 385.472 1.258 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573631465 947802850 /nfs/dbraw/zinc/80/28/50/947802850.db2.gz VIDIIDPWSHOJTE-ZFWWWQNUSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1cccs1 ZINC001573638552 947840580 /nfs/dbraw/zinc/84/05/80/947840580.db2.gz PNGYQFTVEADPPY-CHWSQXEVSA-N 0 1 383.481 1.952 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)c1cccnc1 ZINC001573647013 947881799 /nfs/dbraw/zinc/88/17/99/947881799.db2.gz ABGLYUDMTDJABL-CWRNSKLLSA-N 0 1 390.451 1.355 20 0 GDADMN C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1)C1CC1 ZINC001573655225 947976613 /nfs/dbraw/zinc/97/66/13/947976613.db2.gz WNUCFHDREUIIRW-IUODEOHRSA-N 0 1 384.488 1.602 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826344573 948009198 /nfs/dbraw/zinc/00/91/98/948009198.db2.gz LKIJOMNYZQQLQE-CQSZACIVSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826344573 948009201 /nfs/dbraw/zinc/00/92/01/948009201.db2.gz LKIJOMNYZQQLQE-CQSZACIVSA-N 0 1 395.467 1.829 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573660037 948018217 /nfs/dbraw/zinc/01/82/17/948018217.db2.gz XBRCURGCWBJCCM-JTQLQIEISA-N 0 1 380.403 1.423 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346310 948038361 /nfs/dbraw/zinc/03/83/61/948038361.db2.gz JGPLRYMOOBHTEK-CZUORRHYSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346310 948038370 /nfs/dbraw/zinc/03/83/70/948038370.db2.gz JGPLRYMOOBHTEK-CZUORRHYSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346310 948038380 /nfs/dbraw/zinc/03/83/80/948038380.db2.gz JGPLRYMOOBHTEK-CZUORRHYSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346310 948038389 /nfs/dbraw/zinc/03/83/89/948038389.db2.gz JGPLRYMOOBHTEK-CZUORRHYSA-N 0 1 395.467 1.875 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573665524 948074344 /nfs/dbraw/zinc/07/43/44/948074344.db2.gz LYCPAWGQQPMPJN-GHMZBOCLSA-N 0 1 380.403 1.423 20 0 GDADMN C[C@H](C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573666011 948078679 /nfs/dbraw/zinc/07/86/79/948078679.db2.gz OOACUBUYSXZJLV-JEYLPNPQSA-N 0 1 392.467 1.722 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573666865 948091553 /nfs/dbraw/zinc/09/15/53/948091553.db2.gz WXWPWNNZQQBSOV-OLZOCXBDSA-N 0 1 382.428 1.529 20 0 GDADMN Cn1cc(CN2CCS[C@H]3COCC[C@H]32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361351 948131706 /nfs/dbraw/zinc/13/17/06/948131706.db2.gz UDRVOZSXHMRTQN-SJORKVTESA-N 0 1 397.508 1.974 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CCC1 ZINC001573690619 948227335 /nfs/dbraw/zinc/22/73/35/948227335.db2.gz FKRCGBRFJWMZRQ-VXNVDRBHSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573691505 948244127 /nfs/dbraw/zinc/24/41/27/948244127.db2.gz JKKYKFFMFKVGJT-BFUOFWGJSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573702311 948345590 /nfs/dbraw/zinc/34/55/90/948345590.db2.gz DSTKMBUXTJYSMF-AAEUAGOBSA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573702914 948351935 /nfs/dbraw/zinc/35/19/35/948351935.db2.gz HNMIGZFECQVYQN-GXTWGEPZSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573705408 948399925 /nfs/dbraw/zinc/39/99/25/948399925.db2.gz HRIDCYHJBYEZNF-SECBINFHSA-N 0 1 384.366 1.188 20 0 GDADMN C[C@@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573706358 948417481 /nfs/dbraw/zinc/41/74/81/948417481.db2.gz ITXASTNCENIHDJ-CQSZACIVSA-N 0 1 392.467 1.581 20 0 GDADMN C[C@H](C(=O)NCCNc1ccncc1-c1nn[nH]n1)c1ccc(Cl)s1 ZINC001573717797 948510617 /nfs/dbraw/zinc/51/06/17/948510617.db2.gz NIJFYUBNKRAQEC-VIFPVBQESA-N 0 1 377.861 1.730 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573728678 948564336 /nfs/dbraw/zinc/56/43/36/948564336.db2.gz QKLYMTAEORCCAG-OFQRWUPVSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001573732430 948602922 /nfs/dbraw/zinc/60/29/22/948602922.db2.gz PEYLGFQYOWDHFE-DTWKUNHWSA-N 0 1 392.876 1.514 20 0 GDADMN C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573747421 948690928 /nfs/dbraw/zinc/69/09/28/948690928.db2.gz UKMJQRCJSCSGPL-GMTAPVOTSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001573753131 948717397 /nfs/dbraw/zinc/71/73/97/948717397.db2.gz RHILHLXTJSAJMI-BYNQJWBRSA-N 0 1 376.486 1.480 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001573753131 948717401 /nfs/dbraw/zinc/71/74/01/948717401.db2.gz RHILHLXTJSAJMI-BYNQJWBRSA-N 0 1 376.486 1.480 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CCC1 ZINC001573754074 948724232 /nfs/dbraw/zinc/72/42/32/948724232.db2.gz ZXTULIJZRIPHGX-YRINGNFDSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cnn(C)c1 ZINC001573754086 948724926 /nfs/dbraw/zinc/72/49/26/948724926.db2.gz ZYQNWRFFAYHMQV-RAIGVLPGSA-N 0 1 386.485 1.202 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001573754086 948724935 /nfs/dbraw/zinc/72/49/35/948724935.db2.gz ZYQNWRFFAYHMQV-RAIGVLPGSA-N 0 1 386.485 1.202 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574678285 948746183 /nfs/dbraw/zinc/74/61/83/948746183.db2.gz CCIZFZISUZCPKB-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574678285 948746197 /nfs/dbraw/zinc/74/61/97/948746197.db2.gz CCIZFZISUZCPKB-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@H](C(=O)Nc1cc(Cl)c2c(c1)OCCO2)n1cnc(-c2nn[nH]n2)n1 ZINC001573755583 948775478 /nfs/dbraw/zinc/77/54/78/948775478.db2.gz FPDIHYIMZBMCCV-SSDOTTSWSA-N 0 1 376.764 1.083 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679330 948776152 /nfs/dbraw/zinc/77/61/52/948776152.db2.gz SSJGQEHXJURFEY-DZGCQCFKSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679330 948776169 /nfs/dbraw/zinc/77/61/69/948776169.db2.gz SSJGQEHXJURFEY-DZGCQCFKSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679330 948776184 /nfs/dbraw/zinc/77/61/84/948776184.db2.gz SSJGQEHXJURFEY-DZGCQCFKSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679330 948776205 /nfs/dbraw/zinc/77/62/05/948776205.db2.gz SSJGQEHXJURFEY-DZGCQCFKSA-N 0 1 387.492 1.226 20 0 GDADMN CC(F)(F)CC(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575225438 948805329 /nfs/dbraw/zinc/80/53/29/948805329.db2.gz BTPCAEBKWUIQNH-KRWDZBQOSA-N 0 1 392.414 1.521 20 0 GDADMN CC(C)c1ccoc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574421987 948828774 /nfs/dbraw/zinc/82/87/74/948828774.db2.gz TVFVHMIUTCUIEV-UHFFFAOYSA-N 0 1 382.428 1.772 20 0 GDADMN C[C@H](CNC(=O)CCc1cncnc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920424 948901085 /nfs/dbraw/zinc/90/10/85/948901085.db2.gz KWQHHFRWKIBFBB-GFCCVEGCSA-N 0 1 384.419 1.023 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)CC1(O)CCC1 ZINC001574685268 948906130 /nfs/dbraw/zinc/90/61/30/948906130.db2.gz UMCSDARIZBGWMU-MRVPVSSYSA-N 0 1 385.881 1.588 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccnn1C ZINC001574685764 948917951 /nfs/dbraw/zinc/91/79/51/948917951.db2.gz ZRJFQNBRMZJHRU-SSDOTTSWSA-N 0 1 381.853 1.331 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573771042 948934118 /nfs/dbraw/zinc/93/41/18/948934118.db2.gz AGFUQIDZWYPSHY-JSGCOSHPSA-N 0 1 384.488 1.602 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575237481 948947477 /nfs/dbraw/zinc/94/74/77/948947477.db2.gz GIJUJXAMOHZGAL-LLVKDONJSA-N 0 1 380.403 1.567 20 0 GDADMN CC(F)(F)CCC(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575238414 948954694 /nfs/dbraw/zinc/95/46/94/948954694.db2.gz MXAMWJGYSYJUML-UHFFFAOYSA-N 0 1 380.403 1.212 20 0 GDADMN C[C@@H](CNC(=O)COC(C)(C)C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574928595 949058780 /nfs/dbraw/zinc/05/87/80/949058780.db2.gz PGCKFSZLYMFSQX-LBPRGKRZSA-N 0 1 378.452 1.757 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573779449 949065417 /nfs/dbraw/zinc/06/54/17/949065417.db2.gz IIJQCQDZXRFZDX-SNVBAGLBSA-N 0 1 380.403 1.281 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573779856 949072392 /nfs/dbraw/zinc/07/23/92/949072392.db2.gz NZXCLEISPUCOFK-SECBINFHSA-N 0 1 384.366 1.188 20 0 GDADMN CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001574443133 949104257 /nfs/dbraw/zinc/10/42/57/949104257.db2.gz VDPKTGLWYGQJMC-LBPRGKRZSA-N 0 1 382.428 1.512 20 0 GDADMN CC(C)(C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573781591 949109127 /nfs/dbraw/zinc/10/91/27/949109127.db2.gz JOAFLEGAYMKCEU-UHFFFAOYSA-N 0 1 384.488 1.221 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574093656 949115138 /nfs/dbraw/zinc/11/51/38/949115138.db2.gz XEWLWZZFAWVFDW-YXISZKLHSA-N 0 1 384.459 1.844 20 0 GDADMN CC(C)(C(=O)NC/C=C/CNc1ccncc1-c1nn[nH]n1)c1ccccc1 ZINC001573782711 949127503 /nfs/dbraw/zinc/12/75/03/949127503.db2.gz VTBYKBXHKNHPLB-VOTSOKGWSA-N 0 1 377.452 1.746 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573786811 949149099 /nfs/dbraw/zinc/14/90/99/949149099.db2.gz CRRPFCQQOLSDDH-KOMQPUFPSA-N 0 1 391.479 1.968 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573786835 949151768 /nfs/dbraw/zinc/15/17/68/949151768.db2.gz FETVKYAERZDTRE-HDJSIYSDSA-N 0 1 378.440 1.116 20 0 GDADMN CC(C)(C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)F ZINC001573786932 949154315 /nfs/dbraw/zinc/15/43/15/949154315.db2.gz HIAKJAZXKLLFJK-MGCOHNPYSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(F)F ZINC001573787279 949176780 /nfs/dbraw/zinc/17/67/80/949176780.db2.gz RGWIZDLBMDVMLH-IAZYJMLFSA-N 0 1 382.440 1.766 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(F)F ZINC001573787279 949176784 /nfs/dbraw/zinc/17/67/84/949176784.db2.gz RGWIZDLBMDVMLH-IAZYJMLFSA-N 0 1 382.440 1.766 20 0 GDADMN C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575253163 949183689 /nfs/dbraw/zinc/18/36/89/949183689.db2.gz SSNSJCGYGBYICN-STQMWFEESA-N 0 1 387.488 1.442 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574936640 949216997 /nfs/dbraw/zinc/21/69/97/949216997.db2.gz JRLUALZOWFMHIZ-NSHDSACASA-N 0 1 387.394 1.377 20 0 GDADMN C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574938427 949240892 /nfs/dbraw/zinc/24/08/92/949240892.db2.gz VSMLKJWJYMEISL-SNVBAGLBSA-N 0 1 388.382 1.119 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574451784 949241158 /nfs/dbraw/zinc/24/11/58/949241158.db2.gz YOFOBJXQIMURJI-TXEJJXNPSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702069 949272320 /nfs/dbraw/zinc/27/23/20/949272320.db2.gz FZFIEJPCZILCSP-VIFPVBQESA-N 0 1 384.366 1.070 20 0 GDADMN CC(C)CC(=O)N1CCCC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574106142 949274015 /nfs/dbraw/zinc/27/40/15/949274015.db2.gz FROQGLFMCCFZNK-IBGZPJMESA-N 0 1 384.488 1.912 20 0 GDADMN C[C@@H](c1ncccn1)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001575524205 949313842 /nfs/dbraw/zinc/31/38/42/949313842.db2.gz STGPVONPMOTBFS-MBNYWOFBSA-N 0 1 381.444 1.044 20 0 GDADMN C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575259138 949320244 /nfs/dbraw/zinc/32/02/44/949320244.db2.gz MKSBJJGYRINJJZ-UKRRQHHQSA-N 0 1 383.456 1.330 20 0 GDADMN C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260142 949348293 /nfs/dbraw/zinc/34/82/93/949348293.db2.gz UZGPWDXFVATHHT-STQMWFEESA-N 0 1 384.444 1.072 20 0 GDADMN CC(C)n1ccc(CN[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574459357 949349962 /nfs/dbraw/zinc/34/99/62/949349962.db2.gz BTGXKNURKKAGTP-CQSZACIVSA-N 0 1 383.460 1.367 20 0 GDADMN C[C@@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576154906 949367694 /nfs/dbraw/zinc/36/76/94/949367694.db2.gz SFHVPAGIYWBKFJ-BFUOFWGJSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575865372 949370376 /nfs/dbraw/zinc/37/03/76/949370376.db2.gz AHWADWXNMZGECD-UWVGGRQHSA-N 0 1 380.403 1.422 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001576155307 949395979 /nfs/dbraw/zinc/39/59/79/949395979.db2.gz HWUNIMPMDLSWGS-LJISPDSOSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576156251 949435658 /nfs/dbraw/zinc/43/56/58/949435658.db2.gz MGARESOZRORDNW-XIKOKIGWSA-N 0 1 381.444 1.198 20 0 GDADMN CC(C)CC(=O)NC[C@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574117401 949464943 /nfs/dbraw/zinc/46/49/43/949464943.db2.gz SVUQCLCRPJCXCO-GOSISDBHSA-N 0 1 376.436 1.105 20 0 GDADMN CC(C)CC(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574117413 949465294 /nfs/dbraw/zinc/46/52/94/949465294.db2.gz TZMDTTLYXZRLPC-GOSISDBHSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574708017 949479090 /nfs/dbraw/zinc/47/90/90/949479090.db2.gz RZGVTCBKCQHYKH-OLZOCXBDSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574708017 949479102 /nfs/dbraw/zinc/47/91/02/949479102.db2.gz RZGVTCBKCQHYKH-OLZOCXBDSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCc2cccnc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574709404 949506185 /nfs/dbraw/zinc/50/61/85/949506185.db2.gz ZGTMSVTXHMJJLN-DZGCQCFKSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575538896 949532941 /nfs/dbraw/zinc/53/29/41/949532941.db2.gz KOCKGYLWEBDLKU-SJCJKPOMSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575538896 949532959 /nfs/dbraw/zinc/53/29/59/949532959.db2.gz KOCKGYLWEBDLKU-SJCJKPOMSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001574475627 949572133 /nfs/dbraw/zinc/57/21/33/949572133.db2.gz BPPBBJKMCUYASM-JSGCOSHPSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001574475627 949572147 /nfs/dbraw/zinc/57/21/47/949572147.db2.gz BPPBBJKMCUYASM-JSGCOSHPSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574475874 949578718 /nfs/dbraw/zinc/57/87/18/949578718.db2.gz CSYJDZBNWDUKNN-ZBFHGGJFSA-N 0 1 392.467 1.888 20 0 GDADMN C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166421 949578937 /nfs/dbraw/zinc/57/89/37/949578937.db2.gz LNYYOZQKEXTDGU-STQMWFEESA-N 0 1 388.451 1.400 20 0 GDADMN C[C@@H](NC(=O)CCCc1cccs1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270500 949591125 /nfs/dbraw/zinc/59/11/25/949591125.db2.gz CZPBZIMCTZSGNA-NWDGAFQWSA-N 0 1 386.485 1.468 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001575545644 949599949 /nfs/dbraw/zinc/59/99/49/949599949.db2.gz MUPDARMAOLKGQI-KGLIPLIRSA-N 0 1 382.472 1.807 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1csnn1 ZINC001573812883 949626634 /nfs/dbraw/zinc/62/66/34/949626634.db2.gz VRIHACHBVBUDSN-LBPRGKRZSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1csnn1 ZINC001573812883 949626651 /nfs/dbraw/zinc/62/66/51/949626651.db2.gz VRIHACHBVBUDSN-LBPRGKRZSA-N 0 1 392.514 1.714 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574715136 949642922 /nfs/dbraw/zinc/64/29/22/949642922.db2.gz BONSSQKULYEFMN-KGLIPLIRSA-N 0 1 387.488 1.538 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccoc1 ZINC001573814988 949646874 /nfs/dbraw/zinc/64/68/74/949646874.db2.gz FZVJSEKZBHYXEJ-CYBMUJFWSA-N 0 1 384.444 1.247 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576168630 949648327 /nfs/dbraw/zinc/64/83/27/949648327.db2.gz CRKAKCBQYVDWDV-SWLSCSKDSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575273257 949660767 /nfs/dbraw/zinc/66/07/67/949660767.db2.gz UZSQQXVNEPFFCF-KGLIPLIRSA-N 0 1 380.456 1.407 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCC1(C)C ZINC001573815839 949661068 /nfs/dbraw/zinc/66/10/68/949661068.db2.gz KLQQJLIHOIEUNX-STQMWFEESA-N 0 1 386.504 1.848 20 0 GDADMN C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1 ZINC001574477618 949666590 /nfs/dbraw/zinc/66/65/90/949666590.db2.gz SOVYYERWXMHHQY-YJBOKZPZSA-N 0 1 386.500 1.962 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CN2CCCC2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575879282 949685038 /nfs/dbraw/zinc/68/50/38/949685038.db2.gz QAFPZZQYJIJEAW-ZFWWWQNUSA-N 0 1 387.463 1.575 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(CF)CCC1 ZINC001573816946 949688208 /nfs/dbraw/zinc/68/82/08/949688208.db2.gz VWAOUFIOLFNHMS-NSHDSACASA-N 0 1 376.440 1.161 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170148 949707750 /nfs/dbraw/zinc/70/77/50/949707750.db2.gz JJXZMXVROOKSRD-KBPBESRZSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170148 949707763 /nfs/dbraw/zinc/70/77/63/949707763.db2.gz JJXZMXVROOKSRD-KBPBESRZSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)CCOC1 ZINC001575559345 949754309 /nfs/dbraw/zinc/75/43/09/949754309.db2.gz BHFURIHZSKRENJ-CRAIPNDOSA-N 0 1 383.456 1.163 20 0 GDADMN C[C@H](NC(=O)CCc1cnccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277920 949761140 /nfs/dbraw/zinc/76/11/40/949761140.db2.gz SOODKSYKSAMYMR-AWEZNQCLSA-N 0 1 392.467 1.226 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576171454 949765933 /nfs/dbraw/zinc/76/59/33/949765933.db2.gz QPJJQHOKBDHQIY-KBPBESRZSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576171454 949765943 /nfs/dbraw/zinc/76/59/43/949765943.db2.gz QPJJQHOKBDHQIY-KBPBESRZSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001574965260 949795931 /nfs/dbraw/zinc/79/59/31/949795931.db2.gz DWHWSVJHWRHCAB-LLVKDONJSA-N 0 1 383.460 1.182 20 0 GDADMN C[C@@H](CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574484079 949859071 /nfs/dbraw/zinc/85/90/71/949859071.db2.gz SXJAMHOBUNFVPK-AWEZNQCLSA-N 0 1 378.440 1.499 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1ccc(-c2nn[nH]n2)cn1 ZINC001576178489 949889118 /nfs/dbraw/zinc/88/91/18/949889118.db2.gz BREKOUALXHQARK-WFASDCNBSA-N 0 1 381.444 1.728 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574485229 949922381 /nfs/dbraw/zinc/92/23/81/949922381.db2.gz VLFNIHJHQZZXOS-HOCLYGCPSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576180795 949968750 /nfs/dbraw/zinc/96/87/50/949968750.db2.gz IZSMFOYYMDISOL-RISCZKNCSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576180795 949968769 /nfs/dbraw/zinc/96/87/69/949968769.db2.gz IZSMFOYYMDISOL-RISCZKNCSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181325 949996484 /nfs/dbraw/zinc/99/64/84/949996484.db2.gz TUTAASNBEKMWTM-NWDGAFQWSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574728781 950008337 /nfs/dbraw/zinc/00/83/37/950008337.db2.gz JNOJSCNJPYREBL-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574728781 950008358 /nfs/dbraw/zinc/00/83/58/950008358.db2.gz JNOJSCNJPYREBL-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576181655 950013647 /nfs/dbraw/zinc/01/36/47/950013647.db2.gz IQKDOISXGQUKPA-TZMCWYRMSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891659 950025216 /nfs/dbraw/zinc/02/52/16/950025216.db2.gz MKGTTWMXOOCGIV-FZMZJTMJSA-N 0 1 382.403 1.583 20 0 GDADMN CC1(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)CCCC1 ZINC001575574663 950027037 /nfs/dbraw/zinc/02/70/37/950027037.db2.gz XLEVANOFIXHOEA-CYBMUJFWSA-N 0 1 376.436 1.153 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891876 950036041 /nfs/dbraw/zinc/03/60/41/950036041.db2.gz ORVMYONGJADNEV-SMDDNHRTSA-N 0 1 382.403 1.583 20 0 GDADMN C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183610 950096684 /nfs/dbraw/zinc/09/66/84/950096684.db2.gz QPPZRVSSCALZKG-GHMZBOCLSA-N 0 1 380.403 1.020 20 0 GDADMN CC(C)(C)CC(=O)NC[C@@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573836840 950097657 /nfs/dbraw/zinc/09/76/57/950097657.db2.gz SJYKSONCSUCYEE-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1nccs1 ZINC001576183744 950101466 /nfs/dbraw/zinc/10/14/66/950101466.db2.gz UJBWIEZHYSHOJZ-FZMZJTMJSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574734980 950153634 /nfs/dbraw/zinc/15/36/34/950153634.db2.gz WMKCQQRVYCKFPR-KXEKKFMESA-N 0 1 383.865 1.272 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574735022 950154930 /nfs/dbraw/zinc/15/49/30/950154930.db2.gz XMOALFKNJSIBRR-VHDGCEQUSA-N 0 1 385.472 1.005 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576185061 950157134 /nfs/dbraw/zinc/15/71/34/950157134.db2.gz ZGPUMAMPUKMNRS-CHWSQXEVSA-N 0 1 382.428 1.415 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2csnn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575900061 950186973 /nfs/dbraw/zinc/18/69/73/950186973.db2.gz BOBONKGWSLVSMH-RISCZKNCSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ncccn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900656 950204427 /nfs/dbraw/zinc/20/44/27/950204427.db2.gz HBWNETIZMZDSBD-CZUORRHYSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CSC(C)C ZINC001574155820 950210374 /nfs/dbraw/zinc/21/03/74/950210374.db2.gz RXVNJVIPRHGLRL-GFCCVEGCSA-N 0 1 378.506 1.163 20 0 GDADMN C[C@@H]1[C@H](NCc2cc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575900924 950212124 /nfs/dbraw/zinc/21/21/24/950212124.db2.gz JQPIXGNMXZSPFK-QMTHXVAHSA-N 0 1 382.428 1.453 20 0 GDADMN C[C@@H]1[C@@H](NCc2c(F)cccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901026 950215610 /nfs/dbraw/zinc/21/56/10/950215610.db2.gz KAQZEMUSDHKJDV-BMIGLBTASA-N 0 1 387.394 1.866 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001574497642 950234094 /nfs/dbraw/zinc/23/40/94/950234094.db2.gz ALBXACJNCABYMT-ZDUSSCGKSA-N 0 1 378.440 1.333 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)n1cccn1 ZINC001574157817 950254024 /nfs/dbraw/zinc/25/40/24/950254024.db2.gz JFLDWOPEDPOKFP-UONOGXRCSA-N 0 1 383.460 1.084 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)C(F)(F)F ZINC001574498097 950258565 /nfs/dbraw/zinc/25/85/65/950258565.db2.gz JXBMWRCNNYJVRM-SECBINFHSA-N 0 1 384.366 1.118 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575902905 950271520 /nfs/dbraw/zinc/27/15/20/950271520.db2.gz YCYNSTOMWXSWCK-IAQYHMDHSA-N 0 1 384.419 1.512 20 0 GDADMN Cn1cc(S(=O)(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1C(=O)[O-] ZINC000379618422 971649098 /nfs/dbraw/zinc/64/90/98/971649098.db2.gz OUJJLUGDVUOKMS-UHFFFAOYSA-N 0 1 379.482 1.912 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904672 950281000 /nfs/dbraw/zinc/28/10/00/950281000.db2.gz ACHBILAGEABFLO-IUODEOHRSA-N 0 1 383.481 1.645 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904672 950281019 /nfs/dbraw/zinc/28/10/19/950281019.db2.gz ACHBILAGEABFLO-IUODEOHRSA-N 0 1 383.481 1.645 20 0 GDADMN C[C@H](CC(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001574498517 950281964 /nfs/dbraw/zinc/28/19/64/950281964.db2.gz OMWATBMNCYBVBO-APPZFPTMSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905082 950286776 /nfs/dbraw/zinc/28/67/76/950286776.db2.gz BDMQTDSHBVQEFA-SMDDNHRTSA-N 0 1 386.485 1.363 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905082 950286784 /nfs/dbraw/zinc/28/67/84/950286784.db2.gz BDMQTDSHBVQEFA-SMDDNHRTSA-N 0 1 386.485 1.363 20 0 GDADMN CC(C)(C)OC(=O)N1CCCN(C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573852340 950300507 /nfs/dbraw/zinc/30/05/07/950300507.db2.gz FMZHYXUEZRODSD-MRXNPFEDSA-N 0 1 388.472 1.843 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574501276 950324818 /nfs/dbraw/zinc/32/48/18/950324818.db2.gz CKQSECHUXCSXSO-UWVGGRQHSA-N 0 1 384.366 1.330 20 0 GDADMN CC1(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CC(F)(F)C1 ZINC001575594017 950329009 /nfs/dbraw/zinc/32/90/09/950329009.db2.gz JCLCXSCXEWREAU-UHFFFAOYSA-N 0 1 376.411 1.850 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576194487 950347908 /nfs/dbraw/zinc/34/79/08/950347908.db2.gz ZILRZCPWOVVIFY-KGLIPLIRSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576194487 950347930 /nfs/dbraw/zinc/34/79/30/950347930.db2.gz ZILRZCPWOVVIFY-KGLIPLIRSA-N 0 1 387.463 1.385 20 0 GDADMN CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)CCc1cnc[nH]1 ZINC001574160952 950354053 /nfs/dbraw/zinc/35/40/53/950354053.db2.gz RRUWXJJSSLQUMW-AWEZNQCLSA-N 0 1 383.460 1.560 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574502087 950358741 /nfs/dbraw/zinc/35/87/41/950358741.db2.gz ITGHAPVAILVVIW-QWRGUYRKSA-N 0 1 383.378 1.793 20 0 GDADMN COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000263331772 950377400 /nfs/dbraw/zinc/37/74/00/950377400.db2.gz LQUIUTCTLAERSZ-LLVKDONJSA-N 0 1 385.848 1.588 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001573857026 950400972 /nfs/dbraw/zinc/40/09/72/950400972.db2.gz KYMKVJOKIIOTDP-NWDGAFQWSA-N 0 1 380.474 1.246 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001573857026 950400985 /nfs/dbraw/zinc/40/09/85/950400985.db2.gz KYMKVJOKIIOTDP-NWDGAFQWSA-N 0 1 380.474 1.246 20 0 GDADMN CC(C)(C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)C1 ZINC001573861801 950455823 /nfs/dbraw/zinc/45/58/23/950455823.db2.gz HDXAVPYWKAPGKO-SNVBAGLBSA-N 0 1 383.430 1.202 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(Cl)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751651 950461918 /nfs/dbraw/zinc/46/19/18/950461918.db2.gz PVRHQJJGCPZNEB-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN CC(C)(C)OC(=O)N[C@H]1CCCN(C[C@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573862494 950466150 /nfs/dbraw/zinc/46/61/50/950466150.db2.gz UCOCGAKBWFBYLM-HOTGVXAUSA-N 0 1 388.472 1.889 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574752309 950476340 /nfs/dbraw/zinc/47/63/40/950476340.db2.gz AMDMQNQFSSQHQR-CYBMUJFWSA-N 0 1 392.467 1.530 20 0 GDADMN C[C@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204776 950480167 /nfs/dbraw/zinc/48/01/67/950480167.db2.gz RIBJUOAOUOAOPV-CHWSQXEVSA-N 0 1 375.452 1.289 20 0 GDADMN C[C@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576204776 950480178 /nfs/dbraw/zinc/48/01/78/950480178.db2.gz RIBJUOAOUOAOPV-CHWSQXEVSA-N 0 1 375.452 1.289 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001576204812 950480397 /nfs/dbraw/zinc/48/03/97/950480397.db2.gz RJZWEIXUHPPKPP-UONOGXRCSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001575605900 950490066 /nfs/dbraw/zinc/49/00/66/950490066.db2.gz ZRAIPTSPUKAHFR-PDOICOKGSA-N 0 1 382.468 1.515 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001576205424 950519373 /nfs/dbraw/zinc/51/93/73/950519373.db2.gz ITGUSMGWFIOKIG-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576205424 950519430 /nfs/dbraw/zinc/51/94/30/950519430.db2.gz ITGUSMGWFIOKIG-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576205424 950519447 /nfs/dbraw/zinc/51/94/47/950519447.db2.gz ITGUSMGWFIOKIG-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](NC(=O)CN1CCC(C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205504 950522747 /nfs/dbraw/zinc/52/27/47/950522747.db2.gz ZGANEUVGAHSJOB-OLZOCXBDSA-N 0 1 390.467 1.438 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575000058 950593363 /nfs/dbraw/zinc/59/33/63/950593363.db2.gz ADEYIYQWBMZDCD-JTQLQIEISA-N 0 1 384.469 1.462 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc2ccccc2o1 ZINC001575919073 950605750 /nfs/dbraw/zinc/60/57/50/950605750.db2.gz FWQHYRZBEPEOHJ-AAEUAGOBSA-N 0 1 390.407 1.540 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575000527 950609153 /nfs/dbraw/zinc/60/91/53/950609153.db2.gz FEFZGFXSPMBSKY-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN CC1(C)C(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1(C)C ZINC001575619282 950617053 /nfs/dbraw/zinc/61/70/53/950617053.db2.gz NQHMRWRGADFYGF-GFCCVEGCSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)no1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575001646 950638855 /nfs/dbraw/zinc/63/88/55/950638855.db2.gz XHHWPIUSXVOUNV-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001573873353 950644586 /nfs/dbraw/zinc/64/45/86/950644586.db2.gz KKJYVRLFYHFJCS-HALDLXJZSA-N 0 1 388.447 1.367 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573873375 950646455 /nfs/dbraw/zinc/64/64/55/950646455.db2.gz LVVRJZDVQXQQKH-QMMMGPOBSA-N 0 1 385.881 1.487 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001589744891 950672316 /nfs/dbraw/zinc/67/23/16/950672316.db2.gz JQMBEZCJORLGLG-BRWVUGGUSA-N 0 1 388.468 1.197 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001589745162 950682117 /nfs/dbraw/zinc/68/21/17/950682117.db2.gz ZDJODIJSVQPPEF-YOEHRIQHSA-N 0 1 375.425 1.435 20 0 GDADMN CC1(C)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]2CCC[N@@H+](CCCF)[C@@H]21 ZINC001575625967 950701390 /nfs/dbraw/zinc/70/13/90/950701390.db2.gz VQLJFCGCLIZACI-CFVMTHIKSA-N 0 1 375.452 1.773 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccncc1Cl ZINC001575926310 950705787 /nfs/dbraw/zinc/70/57/87/950705787.db2.gz JDMRQGXDRNJHCG-YGRLFVJLSA-N 0 1 384.831 1.447 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001573880225 950742751 /nfs/dbraw/zinc/74/27/51/950742751.db2.gz UKKRSYCVXLQXJU-VQHPVUNQSA-N 0 1 384.484 1.210 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccn2nccc12 ZINC001575927772 950755445 /nfs/dbraw/zinc/75/54/45/950755445.db2.gz UCNJCLSLHPOFLD-WFASDCNBSA-N 0 1 389.423 1.046 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575928117 950771886 /nfs/dbraw/zinc/77/18/86/950771886.db2.gz YWTXFNZKNDZSCE-ABAIWWIYSA-N 0 1 391.439 1.066 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncs1 ZINC001575928131 950777433 /nfs/dbraw/zinc/77/74/33/950777433.db2.gz YZBNRBAYTWRVEY-RISCZKNCSA-N 0 1 384.469 1.174 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cnco1 ZINC001575932210 950820553 /nfs/dbraw/zinc/82/05/53/950820553.db2.gz KNHSWHIZLSWEIS-RNFRBKRXSA-N 0 1 380.821 1.680 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)CC(C)(C)O ZINC001575932692 950828813 /nfs/dbraw/zinc/82/88/13/950828813.db2.gz LSEFWQXAUFCTEC-SFYZADRCSA-N 0 1 385.881 1.539 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccncn1 ZINC001575932840 950832692 /nfs/dbraw/zinc/83/26/92/950832692.db2.gz NHGSJYYIEBALRV-SFYZADRCSA-N 0 1 391.848 1.482 20 0 GDADMN CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573887508 950850722 /nfs/dbraw/zinc/85/07/22/950850722.db2.gz FPNOTNBMLRWJDE-NSHDSACASA-N 0 1 382.428 1.296 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576222089 950863168 /nfs/dbraw/zinc/86/31/68/950863168.db2.gz XGJIFZDORRARPS-GUYCJALGSA-N 0 1 392.467 1.315 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574768595 950895850 /nfs/dbraw/zinc/89/58/50/950895850.db2.gz ZSPRMYFVJRHOBC-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H]1CN(C(=O)C2(F)CCCCC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576227128 950901501 /nfs/dbraw/zinc/90/15/01/950901501.db2.gz CGNFYIUMWZBKIA-OLZOCXBDSA-N 0 1 388.451 1.400 20 0 GDADMN CC(C)CCCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001574190611 950917649 /nfs/dbraw/zinc/91/76/49/950917649.db2.gz ZGZGFEDRVXNWKJ-GJZGRUSLSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H](CN(C)Cc1cc(F)cc(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771647 950933123 /nfs/dbraw/zinc/93/31/23/950933123.db2.gz ILTYYOZKFLKBMH-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ncccc1[O-] ZINC001574528643 950936019 /nfs/dbraw/zinc/93/60/19/950936019.db2.gz NVAHAJZFQCNNOR-QWHCGFSZSA-N 0 1 381.440 1.654 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575643306 950963923 /nfs/dbraw/zinc/96/39/23/950963923.db2.gz LFJJQGMBDMUNNP-DJJJIMSYSA-N 0 1 382.472 1.522 20 0 GDADMN CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)CC(F)F ZINC001573897840 950972309 /nfs/dbraw/zinc/97/23/09/950972309.db2.gz URXBDDQCBGRALA-QWRGUYRKSA-N 0 1 392.414 1.518 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@]1(C)CCCOC1 ZINC001574773952 950996885 /nfs/dbraw/zinc/99/68/85/950996885.db2.gz AASDPRAUTQUIIZ-BFUOFWGJSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)F)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575020083 951052591 /nfs/dbraw/zinc/05/25/91/951052591.db2.gz XRLSZUBBIMTNHZ-JTQLQIEISA-N 0 1 388.382 1.494 20 0 GDADMN CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001575024409 951101571 /nfs/dbraw/zinc/10/15/71/951101571.db2.gz DDAMXICFCJOUQM-GFCCVEGCSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575024683 951111835 /nfs/dbraw/zinc/11/18/35/951111835.db2.gz KRSCNDWGELYUCI-CYBMUJFWSA-N 0 1 377.452 1.650 20 0 GDADMN C[C@@H](CNC(=O)c1ccnn1C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575035303 951273116 /nfs/dbraw/zinc/27/31/16/951273116.db2.gz VXZNOAAGEOGRAR-ZETCQYMHSA-N 0 1 381.853 1.188 20 0 GDADMN C[C@H](CNC(=O)c1cncc(C(F)(F)F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575045364 951424498 /nfs/dbraw/zinc/42/44/98/951424498.db2.gz AVVXKCONPXGREC-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575051974 951456092 /nfs/dbraw/zinc/45/60/92/951456092.db2.gz CLNJDIRQBDUXAF-LLVKDONJSA-N 0 1 388.501 1.788 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575051974 951456103 /nfs/dbraw/zinc/45/61/03/951456103.db2.gz CLNJDIRQBDUXAF-LLVKDONJSA-N 0 1 388.501 1.788 20 0 GDADMN CC(C)n1ncc(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)c1Cl ZINC001575052409 951463078 /nfs/dbraw/zinc/46/30/78/951463078.db2.gz ISFBWSNMZMUFTK-JTQLQIEISA-N 0 1 389.851 1.345 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C)c1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575052823 951471136 /nfs/dbraw/zinc/47/11/36/951471136.db2.gz OQMLPMMWWLVWBQ-SSDOTTSWSA-N 0 1 381.853 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054606 951493155 /nfs/dbraw/zinc/49/31/55/951493155.db2.gz JBPWRGZPLCSWGT-NSHDSACASA-N 0 1 392.464 1.345 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(CCF)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054606 951493162 /nfs/dbraw/zinc/49/31/62/951493162.db2.gz JBPWRGZPLCSWGT-NSHDSACASA-N 0 1 392.464 1.345 20 0 GDADMN O=C([O-])CC[N@H+](C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC001595055634 951493429 /nfs/dbraw/zinc/49/34/29/951493429.db2.gz AYEDXYMVFLCOLO-MRXNPFEDSA-N 0 1 392.452 1.267 20 0 GDADMN C[C@H](CNC(=O)c1noc2c1CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575066967 951602646 /nfs/dbraw/zinc/60/26/46/951602646.db2.gz ODKKQTOYKRIPIU-LLVKDONJSA-N 0 1 382.428 1.383 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC001595074226 951626695 /nfs/dbraw/zinc/62/66/95/951626695.db2.gz OQARSLGZHQCDJX-LSDHHAIUSA-N 0 1 375.473 1.717 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC001595074226 951626703 /nfs/dbraw/zinc/62/67/03/951626703.db2.gz OQARSLGZHQCDJX-LSDHHAIUSA-N 0 1 375.473 1.717 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575088723 951743285 /nfs/dbraw/zinc/74/32/85/951743285.db2.gz BSAQCHUXVDSZTI-KRWDZBQOSA-N 0 1 386.485 1.269 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575088723 951743292 /nfs/dbraw/zinc/74/32/92/951743292.db2.gz BSAQCHUXVDSZTI-KRWDZBQOSA-N 0 1 386.485 1.269 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccsn1 ZINC001575091237 951771310 /nfs/dbraw/zinc/77/13/10/951771310.db2.gz QHARLFIWIUXZOF-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CC1CCOCC1 ZINC001575099870 951839871 /nfs/dbraw/zinc/83/98/71/951839871.db2.gz PQOKBJUSYYSDJB-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CC1CCOCC1 ZINC001575099870 951839878 /nfs/dbraw/zinc/83/98/78/951839878.db2.gz PQOKBJUSYYSDJB-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100141 951842217 /nfs/dbraw/zinc/84/22/17/951842217.db2.gz RALDPRIAFUOEFT-HIFPTAJRSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100141 951842233 /nfs/dbraw/zinc/84/22/33/951842233.db2.gz RALDPRIAFUOEFT-HIFPTAJRSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](CNC(=O)[C@@H](C)c1cccnc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100800 951847652 /nfs/dbraw/zinc/84/76/52/951847652.db2.gz VGZFBRNMSCUKJK-OLZOCXBDSA-N 0 1 385.497 1.969 20 0 GDADMN C[C@@H](CNC(=O)[C@@H](C)c1cccnc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100800 951847657 /nfs/dbraw/zinc/84/76/57/951847657.db2.gz VGZFBRNMSCUKJK-OLZOCXBDSA-N 0 1 385.497 1.969 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cncn1C ZINC001575101070 951854030 /nfs/dbraw/zinc/85/40/30/951854030.db2.gz YWLZBLYYDWURDE-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)c1nnc(CNC[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC001575118154 951984285 /nfs/dbraw/zinc/98/42/85/951984285.db2.gz QKRZWPYTQPELOE-SNVBAGLBSA-N 0 1 389.489 1.325 20 0 GDADMN C[C@@H](CNCc1ncc(C(C)(C)C)o1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575118776 951985911 /nfs/dbraw/zinc/98/59/11/951985911.db2.gz SVDNUABHZLTNAE-NSHDSACASA-N 0 1 386.460 1.636 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575144148 952163320 /nfs/dbraw/zinc/16/33/20/952163320.db2.gz UNSSEVCJKLUBKT-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575144248 952163930 /nfs/dbraw/zinc/16/39/30/952163930.db2.gz HHMJRZHSDNTVER-KRWDZBQOSA-N 0 1 386.847 1.676 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(Cl)ccc1F ZINC001575144236 952164312 /nfs/dbraw/zinc/16/43/12/952164312.db2.gz HAHZUHFBBJIDRW-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575144446 952166200 /nfs/dbraw/zinc/16/62/00/952166200.db2.gz IPNFSMJYLKPVBA-JTQLQIEISA-N 0 1 384.469 1.201 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575145130 952178009 /nfs/dbraw/zinc/17/80/09/952178009.db2.gz QUSQSORTNSWZSP-CJNGLKHVSA-N 0 1 383.431 1.523 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575145183 952179497 /nfs/dbraw/zinc/17/94/97/952179497.db2.gz RXGOESGEBZIWSQ-BLLLJJGKSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575145620 952187183 /nfs/dbraw/zinc/18/71/83/952187183.db2.gz BFNLQZMBIHSGKF-VIFPVBQESA-N 0 1 391.357 1.674 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575145652 952188673 /nfs/dbraw/zinc/18/86/73/952188673.db2.gz CDBWEYCQNNCWPG-LBPRGKRZSA-N 0 1 383.460 1.208 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575165592 952312711 /nfs/dbraw/zinc/31/27/11/952312711.db2.gz PYIOQFGEORFLAF-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575165592 952312715 /nfs/dbraw/zinc/31/27/15/952312715.db2.gz PYIOQFGEORFLAF-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)[O-])CC2)C12CCOCC2 ZINC001602902551 971825633 /nfs/dbraw/zinc/82/56/33/971825633.db2.gz BUUIHJOPXUUICK-HZPDHXFCSA-N 0 1 397.516 1.587 20 0 GDADMN C[C@@](CO)(NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1)c1cccc(O)c1 ZINC001575176459 952394903 /nfs/dbraw/zinc/39/49/03/952394903.db2.gz HMTLQLLLCHHFQI-AWEZNQCLSA-N 0 1 395.832 1.711 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575191074 952466404 /nfs/dbraw/zinc/46/64/04/952466404.db2.gz WWAVROYFAMTRHM-NWDGAFQWSA-N 0 1 384.419 1.013 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571120398 952501534 /nfs/dbraw/zinc/50/15/34/952501534.db2.gz MLRLLLIUPQMOIT-CABCVRRESA-N 0 1 376.411 1.993 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCCN(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001575202061 952510736 /nfs/dbraw/zinc/51/07/36/952510736.db2.gz MXYNNMPHTZCENW-ZDUSSCGKSA-N 0 1 383.460 1.148 20 0 GDADMN CS[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571120984 952513471 /nfs/dbraw/zinc/51/34/71/952513471.db2.gz TYFRMNGPPNNTOF-OLZOCXBDSA-N 0 1 375.502 1.688 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)s1 ZINC001571121925 952521919 /nfs/dbraw/zinc/52/19/19/952521919.db2.gz FDSRHFHHAWWBLE-MRVPVSSYSA-N 0 1 376.833 1.380 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121735 952522398 /nfs/dbraw/zinc/52/23/98/952522398.db2.gz CITMEISBAGJWLQ-BNOWGMLFSA-N 0 1 376.486 1.434 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1)c1ccnnc1 ZINC001571122807 952526785 /nfs/dbraw/zinc/52/67/85/952526785.db2.gz LPULTGAWJJKSRD-IKGGRYGDSA-N 0 1 376.424 1.192 20 0 GDADMN CC(F)(F)C(=O)N1CC2(C1)CCN(Cc1cc(-c3nn[nH]n3)ccc1F)C2 ZINC001575205731 952526794 /nfs/dbraw/zinc/52/67/94/952526794.db2.gz CPGJIFDCFHIEPN-UHFFFAOYSA-N 0 1 380.374 1.695 20 0 GDADMN O=C([C@H]1C[C@@H]1C(F)F)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571124175 952534816 /nfs/dbraw/zinc/53/48/16/952534816.db2.gz ACYKMTJIAKBGDX-SRVKXCTJSA-N 0 1 377.399 1.235 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575215491 952568773 /nfs/dbraw/zinc/56/87/73/952568773.db2.gz URGYPKGDCHGVHN-MGCOHNPYSA-N 0 1 380.403 1.067 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001571129340 952573972 /nfs/dbraw/zinc/57/39/72/952573972.db2.gz CNDVFNBGPKZZPG-WDEREUQCSA-N 0 1 378.387 1.129 20 0 GDADMN Cc1cnccc1CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571134156 952586042 /nfs/dbraw/zinc/58/60/42/952586042.db2.gz FJEIOFJVTVBKIL-UKRRQHHQSA-N 0 1 378.440 1.031 20 0 GDADMN C[N@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCN1C(=O)c1cnccn1 ZINC001571134171 952586200 /nfs/dbraw/zinc/58/62/00/952586200.db2.gz BNTNYEBLQDFQKL-HNNXBMFYSA-N 0 1 378.440 1.393 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C)nc1C ZINC001571134326 952588252 /nfs/dbraw/zinc/58/82/52/952588252.db2.gz HNBDNMQDVVACED-HIFRSBDPSA-N 0 1 378.440 1.411 20 0 GDADMN Cc1cc(N2CCC[C@@H](CNC(=O)c3ccccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134973 952597410 /nfs/dbraw/zinc/59/74/10/952597410.db2.gz OECGBGXBBCRICE-AWEZNQCLSA-N 0 1 378.440 1.612 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571135065 952599893 /nfs/dbraw/zinc/59/98/93/952599893.db2.gz OXMBKOQCTPPORP-DIFFPNOSSA-N 0 1 378.440 1.268 20 0 GDADMN Cc1cnc(C(=O)N2C[C@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571135145 952600320 /nfs/dbraw/zinc/60/03/20/952600320.db2.gz SEVTUWMOHLQOSP-XJKSGUPXSA-N 0 1 378.440 1.268 20 0 GDADMN C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001571135635 952606758 /nfs/dbraw/zinc/60/67/58/952606758.db2.gz ZMVGZIKZOMMVHO-OAHLLOKOSA-N 0 1 378.440 1.251 20 0 GDADMN O=C(c1ccccc1)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571140553 952626475 /nfs/dbraw/zinc/62/64/75/952626475.db2.gz CTLPPCBNZSTHKL-HNNXBMFYSA-N 0 1 378.440 1.576 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571141225 952632071 /nfs/dbraw/zinc/63/20/71/952632071.db2.gz WMUQRHRKVRXOKE-GLXFQSAKSA-N 0 1 379.415 1.542 20 0 GDADMN O=C(NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)c1ccc[nH]1 ZINC001571146646 952651112 /nfs/dbraw/zinc/65/11/12/952651112.db2.gz KXPCXNFZBBINGR-FZKQIMNGSA-N 0 1 379.428 1.164 20 0 GDADMN Cc1c[nH]cc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571146709 952652493 /nfs/dbraw/zinc/65/24/93/952652493.db2.gz AUUMALGXRHGDSU-SCLBCKFNSA-N 0 1 379.428 1.225 20 0 GDADMN O=C(c1ccc[nH]1)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571147455 952661953 /nfs/dbraw/zinc/66/19/53/952661953.db2.gz YWXDVELONQCOOG-GOSISDBHSA-N 0 1 379.428 1.118 20 0 GDADMN Cc1c(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)ccn1C ZINC001571150400 952667866 /nfs/dbraw/zinc/66/78/66/952667866.db2.gz ACPGHVKSJSXATQ-KRWDZBQOSA-N 0 1 379.468 1.908 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccoc1C1CC1 ZINC001571155111 952692989 /nfs/dbraw/zinc/69/29/89/952692989.db2.gz ICBGQSWJSDCPQR-CMPLNLGQSA-N 0 1 380.412 1.264 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001571155555 952699043 /nfs/dbraw/zinc/69/90/43/952699043.db2.gz WLQKQAYVZCQTDM-WDEREUQCSA-N 0 1 380.403 1.375 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)n1 ZINC001571156770 952704610 /nfs/dbraw/zinc/70/46/10/952704610.db2.gz JIWWGSHMIWVSOY-CHWSQXEVSA-N 0 1 379.428 1.147 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3conc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158329 952710810 /nfs/dbraw/zinc/71/08/10/952710810.db2.gz HKRFWUATKDQXEU-GFCCVEGCSA-N 0 1 380.412 1.184 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571169417 952773662 /nfs/dbraw/zinc/77/36/62/952773662.db2.gz BZLGFLDKAYETTP-UONOGXRCSA-N 0 1 380.456 1.293 20 0 GDADMN CN(C)c1cccc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571169904 952780843 /nfs/dbraw/zinc/78/08/43/952780843.db2.gz QEFONBNSRUNBAW-AWEZNQCLSA-N 0 1 380.456 1.265 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571170485 952785881 /nfs/dbraw/zinc/78/58/81/952785881.db2.gz VIJKHVDOTGRJTM-KGLIPLIRSA-N 0 1 380.456 1.994 20 0 GDADMN Cc1nccnc1[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001571171672 952795868 /nfs/dbraw/zinc/79/58/68/952795868.db2.gz VYMCDRLQWGYXCL-MRVPVSSYSA-N 0 1 381.368 1.283 20 0 GDADMN C[C@H](NC(=O)N[C@@H](c1cccc(-c2nn[nH]n2)c1)C(F)(F)F)c1nnc[nH]1 ZINC001571171967 952800451 /nfs/dbraw/zinc/80/04/51/952800451.db2.gz JYUJYLITRYWPOX-XVKPBYJWSA-N 0 1 381.322 1.649 20 0 GDADMN Cc1cc(C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)ncc1-c1nn[nH]n1 ZINC001571178464 952842273 /nfs/dbraw/zinc/84/22/73/952842273.db2.gz JNSOXVHXUZYVAB-HNNXBMFYSA-N 0 1 381.415 1.366 20 0 GDADMN Cc1cc(NC[C@]2(C)CCN(C(=O)Cc3ccco3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179978 952858287 /nfs/dbraw/zinc/85/82/87/952858287.db2.gz LLRUHCRKYPHUBC-IBGZPJMESA-N 0 1 381.440 1.478 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@H](C)C2)co1 ZINC001571180439 952860323 /nfs/dbraw/zinc/86/03/23/952860323.db2.gz OLTPKCZJFFEZFW-IAQYHMDHSA-N 0 1 381.440 1.714 20 0 GDADMN Cc1noc(C)c1C(=O)N[C@]1(C)CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571181795 952866155 /nfs/dbraw/zinc/86/61/55/952866155.db2.gz YKGLDWGDYVXSDL-LJQANCHMSA-N 0 1 381.440 1.866 20 0 GDADMN CCc1cc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[nH]n4)c(C)n3)C2)n[nH]1 ZINC001571183660 952880519 /nfs/dbraw/zinc/88/05/19/952880519.db2.gz GZUDAXDJQIJFEQ-UHFFFAOYSA-N 0 1 381.444 1.571 20 0 GDADMN CCn1ccnc1C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571185057 952899855 /nfs/dbraw/zinc/89/98/55/952899855.db2.gz HWDSEWATUQWHPM-ZDUSSCGKSA-N 0 1 381.444 1.137 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188006 952911730 /nfs/dbraw/zinc/91/17/30/952911730.db2.gz FNZLVLOBYHFOGF-ZDUSSCGKSA-N 0 1 381.444 1.200 20 0 GDADMN Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)[nH]1 ZINC001571188349 952913820 /nfs/dbraw/zinc/91/38/20/952913820.db2.gz IZSQPNDIJQZRCT-STQMWFEESA-N 0 1 381.444 1.034 20 0 GDADMN Cc1nc(N[C@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H](C)C2)ccc1-c1nn[nH]n1 ZINC001571188764 952919651 /nfs/dbraw/zinc/91/96/51/952919651.db2.gz IKMNXXUFOAVAIP-AAEUAGOBSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1cc(NCC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571191737 952948170 /nfs/dbraw/zinc/94/81/70/952948170.db2.gz RWXNHDFYPXWQJR-VNQPRFMTSA-N 0 1 381.484 1.689 20 0 GDADMN Cc1cc(N2CC[C@@](C)(NC(=O)c3cncc(F)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571195733 952979082 /nfs/dbraw/zinc/97/90/82/952979082.db2.gz FNFSQBXKGHYPOJ-GOSISDBHSA-N 0 1 382.403 1.503 20 0 GDADMN Cc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571196483 952981587 /nfs/dbraw/zinc/98/15/87/952981587.db2.gz KZYFCUKFDLQDNF-GFCCVEGCSA-N 0 1 382.403 1.243 20 0 GDADMN Cc1c(F)cccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571196713 952983408 /nfs/dbraw/zinc/98/34/08/952983408.db2.gz MRQNNPWCWSDUSN-FZMZJTMJSA-N 0 1 382.403 1.241 20 0 GDADMN CCc1noc(C)c1C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571199530 953000201 /nfs/dbraw/zinc/00/02/01/953000201.db2.gz UNAQUGLZVZSZIO-TXEJJXNPSA-N 0 1 382.428 1.224 20 0 GDADMN CCc1nc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)co1 ZINC001571199549 953001746 /nfs/dbraw/zinc/00/17/46/953001746.db2.gz UUCCMSPNNFFGAF-GFCCVEGCSA-N 0 1 382.428 1.259 20 0 GDADMN Cc1cnc(CN2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)CC[C@@H]32)o1 ZINC001571201301 953016256 /nfs/dbraw/zinc/01/62/56/953016256.db2.gz JUBKJDNFOLCRKW-WFASDCNBSA-N 0 1 382.428 1.228 20 0 GDADMN Cc1conc1CN1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC001571201673 953019987 /nfs/dbraw/zinc/01/99/87/953019987.db2.gz MVIQDQGDIXJCSU-BLLLJJGKSA-N 0 1 382.428 1.228 20 0 GDADMN Cc1conc1CN1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC001571201674 953020112 /nfs/dbraw/zinc/02/01/12/953020112.db2.gz MVIQDQGDIXJCSU-LRDDRELGSA-N 0 1 382.428 1.228 20 0 GDADMN O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(F)c1 ZINC001571202378 953023687 /nfs/dbraw/zinc/02/36/87/953023687.db2.gz VVZSSTSEAYLWAS-SMDDNHRTSA-N 0 1 382.403 1.228 20 0 GDADMN Cc1nc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571202293 953024211 /nfs/dbraw/zinc/02/42/11/953024211.db2.gz SVOXNLYGXSUUJO-CHWSQXEVSA-N 0 1 382.428 1.442 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccncc2-c2nn[nH]n2)on1 ZINC001571202272 953024289 /nfs/dbraw/zinc/02/42/89/953024289.db2.gz SINYQHPFWLNTJB-IAQYHMDHSA-N 0 1 382.428 1.333 20 0 GDADMN Cc1noc(C)c1C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571207385 953062570 /nfs/dbraw/zinc/06/25/70/953062570.db2.gz ZFYNACPOQGUUHN-CYBMUJFWSA-N 0 1 382.428 1.395 20 0 GDADMN C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571209809 953068009 /nfs/dbraw/zinc/06/80/09/953068009.db2.gz FOLMHCJNHAHEHW-RUGDWHBFSA-N 0 1 382.468 1.467 20 0 GDADMN CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571214089 953099332 /nfs/dbraw/zinc/09/93/32/953099332.db2.gz WOSMIPCHWOBVNI-UONOGXRCSA-N 0 1 382.472 1.664 20 0 GDADMN O=C(N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1(C2CCC2)CCC1 ZINC001571217696 953110234 /nfs/dbraw/zinc/11/02/34/953110234.db2.gz IOWVAEVDPOEADT-CYBMUJFWSA-N 0 1 382.472 1.309 20 0 GDADMN Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC001571218806 953120016 /nfs/dbraw/zinc/12/00/16/953120016.db2.gz DZLOGTBODIAQIC-GFCCVEGCSA-N 0 1 383.412 1.521 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccncc1Cl ZINC001571234995 953207528 /nfs/dbraw/zinc/20/75/28/953207528.db2.gz PCPLQCMEOARLBO-AWEZNQCLSA-N 0 1 383.843 1.919 20 0 GDADMN CCOC(=O)C1=CC[C@@H](NC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)C1 ZINC001571235181 953209109 /nfs/dbraw/zinc/20/91/09/953209109.db2.gz WEHKNXJNHPJALF-SSDOTTSWSA-N 0 1 383.821 1.750 20 0 GDADMN O=C([C@@H]1CCOC1)N1CCC[C@@H]1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571235269 953210299 /nfs/dbraw/zinc/21/02/99/953210299.db2.gz YPFRYPNCBFXARN-RKDXNWHRSA-N 0 1 383.865 1.416 20 0 GDADMN Cc1scc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571248602 953295541 /nfs/dbraw/zinc/29/55/41/953295541.db2.gz WHNHOGUSAAOPDF-GFCCVEGCSA-N 0 1 384.469 1.591 20 0 GDADMN Cc1ncncc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571248716 953296736 /nfs/dbraw/zinc/29/67/36/953296736.db2.gz YHGSCRIVNGPGJB-GFCCVEGCSA-N 0 1 384.469 1.373 20 0 GDADMN Cc1ncncc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571248716 953296741 /nfs/dbraw/zinc/29/67/41/953296741.db2.gz YHGSCRIVNGPGJB-GFCCVEGCSA-N 0 1 384.469 1.373 20 0 GDADMN Cc1cc(CNC[C@@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571250339 953310256 /nfs/dbraw/zinc/31/02/56/953310256.db2.gz QUKXZSLMSNHFHC-MEDUHNTESA-N 0 1 384.444 1.522 20 0 GDADMN CCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001571250854 953313447 /nfs/dbraw/zinc/31/34/47/953313447.db2.gz UGTNPAQQACYIKE-UHFFFAOYSA-N 0 1 384.488 1.541 20 0 GDADMN CN(C[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571252418 953328659 /nfs/dbraw/zinc/32/86/59/953328659.db2.gz MGPBIINSKWHLSZ-KGLIPLIRSA-N 0 1 384.488 1.768 20 0 GDADMN Cc1ncc(CC(=O)N2CC[C@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)o1 ZINC001571254059 953336195 /nfs/dbraw/zinc/33/61/95/953336195.db2.gz CTDBTKGZHYVXDD-AWEZNQCLSA-N 0 1 385.403 1.235 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)on1 ZINC001571254123 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O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1sccc1-c1nn[nH]n1 ZINC000737953733 598569541 /nfs/dbraw/zinc/56/95/41/598569541.db2.gz NYMIRLANBMDGPY-UHFFFAOYSA-N 0 1 385.438 1.839 20 0 GDADMN O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737952809 598569552 /nfs/dbraw/zinc/56/95/52/598569552.db2.gz BSMXHLSLPGOUQN-UHFFFAOYSA-N 0 1 379.409 1.778 20 0 GDADMN C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736859720 598580440 /nfs/dbraw/zinc/58/04/40/598580440.db2.gz IACWRNGAXWHYCY-ZDUSSCGKSA-N 0 1 376.896 1.521 20 0 GDADMN C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736859720 598580441 /nfs/dbraw/zinc/58/04/41/598580441.db2.gz IACWRNGAXWHYCY-ZDUSSCGKSA-N 0 1 376.896 1.521 20 0 GDADMN C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736859720 598580443 /nfs/dbraw/zinc/58/04/43/598580443.db2.gz IACWRNGAXWHYCY-ZDUSSCGKSA-N 0 1 376.896 1.521 20 0 GDADMN C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736859720 598580445 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0 GDADMN C[C@@H](N[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000820410381 599388274 /nfs/dbraw/zinc/38/82/74/599388274.db2.gz DYVMPECQKYHDSP-OLZOCXBDSA-N 0 1 391.435 1.891 20 0 GDADMN COc1ccc([C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)N2CCOCC2)cc1 ZINC000821777960 599392993 /nfs/dbraw/zinc/39/29/93/599392993.db2.gz PZHNQQGRUFUXLZ-KRWDZBQOSA-N 0 1 384.440 1.631 20 0 GDADMN O=C(N[C@@H]1CCSC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000823155455 599469606 /nfs/dbraw/zinc/46/96/06/599469606.db2.gz SSNVSZHZTIORHJ-LLVKDONJSA-N 0 1 390.473 1.069 20 0 GDADMN CN(C)C(=O)c1cccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736753417 599485298 /nfs/dbraw/zinc/48/52/98/599485298.db2.gz JYYAFYLSJZHNJP-UHFFFAOYSA-N 0 1 376.424 1.506 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2cn3cccc(C)c3n2)cc1-c1nn[nH]n1 ZINC000737187744 599495693 /nfs/dbraw/zinc/49/56/93/599495693.db2.gz TWZUCWOMZQPYNV-UHFFFAOYSA-N 0 1 396.436 1.575 20 0 GDADMN C[C@H](C(=O)OC(C)(C)C)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000735571597 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Cc1ccc(-c2nn[nH]n2)cc1NCC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000822220174 606454308 /nfs/dbraw/zinc/45/43/08/606454308.db2.gz HCOKJFSBKNYSQJ-INIZCTEOSA-N 0 1 387.488 1.060 20 0 GDADMN COC(=O)CCC1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821660504 606612560 /nfs/dbraw/zinc/61/25/60/606612560.db2.gz ULNWLDUUSMPVKH-UHFFFAOYSA-N 0 1 386.456 1.148 20 0 GDADMN CC(C)N(C(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000819854013 606701631 /nfs/dbraw/zinc/70/16/31/606701631.db2.gz AEWOAYXWJRBMKH-GFCCVEGCSA-N 0 1 377.497 1.070 20 0 GDADMN CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000819854013 606701632 /nfs/dbraw/zinc/70/16/32/606701632.db2.gz AEWOAYXWJRBMKH-GFCCVEGCSA-N 0 1 377.497 1.070 20 0 GDADMN OC[C@H]1c2ccccc2CCN1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823713644 606720690 /nfs/dbraw/zinc/72/06/90/606720690.db2.gz GWLZWUPIVPSQEZ-APWZRJJASA-N 0 1 381.436 1.198 20 0 GDADMN Cc1cc(C(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c(C)n1Cc1ccco1 ZINC000822169039 606779165 /nfs/dbraw/zinc/77/91/65/606779165.db2.gz WXYJHNDBNGAMBZ-UHFFFAOYSA-N 0 1 378.392 1.971 20 0 GDADMN COc1cccc(CCC[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821868524 606779220 /nfs/dbraw/zinc/77/92/20/606779220.db2.gz RULGNZIQAYQFLG-OAHLLOKOSA-N 0 1 394.483 1.809 20 0 GDADMN COc1cccc(CCC[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821868524 606779223 /nfs/dbraw/zinc/77/92/23/606779223.db2.gz RULGNZIQAYQFLG-OAHLLOKOSA-N 0 1 394.483 1.809 20 0 GDADMN COc1cccc(CCC[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821868524 606779224 /nfs/dbraw/zinc/77/92/24/606779224.db2.gz RULGNZIQAYQFLG-OAHLLOKOSA-N 0 1 394.483 1.809 20 0 GDADMN COc1cccc(CCC[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821868524 606779227 /nfs/dbraw/zinc/77/92/27/606779227.db2.gz RULGNZIQAYQFLG-OAHLLOKOSA-N 0 1 394.483 1.809 20 0 GDADMN CC[C@H](C)CSCC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000820870255 606795810 /nfs/dbraw/zinc/79/58/10/606795810.db2.gz PUDAWVAZYDOPFT-NSHDSACASA-N 0 1 379.490 1.591 20 0 GDADMN CCOc1ccc([C@H](C)NC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)cc1OC ZINC000821417397 606825049 /nfs/dbraw/zinc/82/50/49/606825049.db2.gz MWMNVDKFHWSIKK-LBPRGKRZSA-N 0 1 398.423 1.313 20 0 GDADMN COc1ccccc1CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821890224 606885014 /nfs/dbraw/zinc/88/50/14/606885014.db2.gz JZSQGMXZGPICDW-UHFFFAOYSA-N 0 1 395.391 1.675 20 0 GDADMN Cc1csc(CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)n1 ZINC000822409833 606885649 /nfs/dbraw/zinc/88/56/49/606885649.db2.gz VTPZFCWHQLJBAN-UHFFFAOYSA-N 0 1 386.409 1.431 20 0 GDADMN O=S(=O)(NCc1ccc2c(c1)CCO2)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578143 606889721 /nfs/dbraw/zinc/88/97/21/606889721.db2.gz ITVBKILCFXRYMU-UHFFFAOYSA-N 0 1 393.375 1.558 20 0 GDADMN COc1cccc(CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)n1 ZINC000821867650 606896138 /nfs/dbraw/zinc/89/61/38/606896138.db2.gz HXAFDVXDVBFYIF-UHFFFAOYSA-N 0 1 396.379 1.070 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000822535162 606904832 /nfs/dbraw/zinc/90/48/32/606904832.db2.gz IILUBUJZUQAJPN-SMDDNHRTSA-N 0 1 381.440 1.771 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000822535162 606904834 /nfs/dbraw/zinc/90/48/34/606904834.db2.gz IILUBUJZUQAJPN-SMDDNHRTSA-N 0 1 381.440 1.771 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(CCN(C)C)C1CCCC1 ZINC000822222655 607020581 /nfs/dbraw/zinc/02/05/81/607020581.db2.gz OXGWSTRYCZFUAP-UHFFFAOYSA-N 0 1 378.502 1.670 20 0 GDADMN O=C(NC1CC=CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823144159 607126132 /nfs/dbraw/zinc/12/61/32/607126132.db2.gz BMVUHVXKBBBOHD-UHFFFAOYSA-N 0 1 396.411 1.665 20 0 GDADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000366183277 607153063 /nfs/dbraw/zinc/15/30/63/607153063.db2.gz ZSISWDVEZJOJCX-UHFFFAOYSA-N 0 1 393.450 1.461 20 0 GDADMN O=C(C1=CCCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000822911969 607154196 /nfs/dbraw/zinc/15/41/96/607154196.db2.gz GOCWHQCNLKVKLM-UHFFFAOYSA-N 0 1 381.396 1.874 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1-c1nn[nH]n1 ZINC000821970467 607159582 /nfs/dbraw/zinc/15/95/82/607159582.db2.gz OCGKYIXXPSHZTB-BTDLBPIBSA-N 0 1 390.469 1.456 20 0 GDADMN Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1OCC(F)(F)F ZINC000822208556 607218544 /nfs/dbraw/zinc/21/85/44/607218544.db2.gz XPLBTMNZDIPVJK-UHFFFAOYSA-N 0 1 382.306 1.346 20 0 GDADMN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821222407 607219504 /nfs/dbraw/zinc/21/95/04/607219504.db2.gz QZWJZCGYQWSUPL-UHFFFAOYSA-N 0 1 389.423 1.569 20 0 GDADMN C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821623077 607230358 /nfs/dbraw/zinc/23/03/58/607230358.db2.gz BTUCXCLIZJFBCA-YPMHNXCESA-N 0 1 380.449 1.111 20 0 GDADMN C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821623077 607230359 /nfs/dbraw/zinc/23/03/59/607230359.db2.gz BTUCXCLIZJFBCA-YPMHNXCESA-N 0 1 380.449 1.111 20 0 GDADMN C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821623077 607230360 /nfs/dbraw/zinc/23/03/60/607230360.db2.gz BTUCXCLIZJFBCA-YPMHNXCESA-N 0 1 380.449 1.111 20 0 GDADMN C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821623077 607230361 /nfs/dbraw/zinc/23/03/61/607230361.db2.gz BTUCXCLIZJFBCA-YPMHNXCESA-N 0 1 380.449 1.111 20 0 GDADMN C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821623522 607230793 /nfs/dbraw/zinc/23/07/93/607230793.db2.gz MOJZWOJSMRHKTL-AAEUAGOBSA-N 0 1 396.904 1.625 20 0 GDADMN C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821623522 607230794 /nfs/dbraw/zinc/23/07/94/607230794.db2.gz MOJZWOJSMRHKTL-AAEUAGOBSA-N 0 1 396.904 1.625 20 0 GDADMN O=C(c1cnc(Cl)cn1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823497927 607232433 /nfs/dbraw/zinc/23/24/33/607232433.db2.gz BAXZVACFSSIVRR-UHFFFAOYSA-N 0 1 398.858 1.658 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)c2c(C)noc2C)cc1-c1nn[nH]n1 ZINC000826229940 607780897 /nfs/dbraw/zinc/78/08/97/607780897.db2.gz XHBSOUQIKRFLMM-ZETCQYMHSA-N 0 1 389.441 1.828 20 0 GDADMN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000826420032 607792537 /nfs/dbraw/zinc/79/25/37/607792537.db2.gz WFIVXMZLZXRBCE-ZDUSSCGKSA-N 0 1 385.457 1.019 20 0 GDADMN COC(=O)c1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c(F)c1 ZINC000530380903 649972080 /nfs/dbraw/zinc/97/20/80/649972080.db2.gz JDNUXLFXGUVUJX-STQMWFEESA-N 0 1 376.475 1.278 20 0 GDADMN C[C@H]1CCCC[C@H]1OCCNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824941676 607815249 /nfs/dbraw/zinc/81/52/49/607815249.db2.gz ZJVYELYFZJITJM-WMLDXEAASA-N 0 1 393.513 1.825 20 0 GDADMN CCOC(=O)CCN(C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C1CC1 ZINC000825511830 607835726 /nfs/dbraw/zinc/83/57/26/607835726.db2.gz HIIJBVIPINVPSK-UHFFFAOYSA-N 0 1 392.441 1.247 20 0 GDADMN O[C@@H](COc1ccccc1-c1nn[nH]n1)CN1CCN(c2ccccc2)CC1 ZINC000826505201 607870570 /nfs/dbraw/zinc/87/05/70/607870570.db2.gz PHXYQIHXNLLHPQ-QGZVFWFLSA-N 0 1 380.452 1.429 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccccc2C(C)C)c1-c1nnn[n-]1 ZINC000826077601 608018633 /nfs/dbraw/zinc/01/86/33/608018633.db2.gz OBCJHWIKVGETEZ-UHFFFAOYSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccccc2C(C)C)c1-c1nn[n-]n1 ZINC000826077601 608018634 /nfs/dbraw/zinc/01/86/34/608018634.db2.gz OBCJHWIKVGETEZ-UHFFFAOYSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826073538 608020371 /nfs/dbraw/zinc/02/03/71/608020371.db2.gz WNFDINZDULEYGZ-JTQLQIEISA-N 0 1 388.407 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826073538 608020372 /nfs/dbraw/zinc/02/03/72/608020372.db2.gz WNFDINZDULEYGZ-JTQLQIEISA-N 0 1 388.407 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC2CCC(OC)CC2)c1-c1nnn[n-]1 ZINC000826077573 608022136 /nfs/dbraw/zinc/02/21/36/608022136.db2.gz MXWHMQRZRFBNRS-UHFFFAOYSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC2CCC(OC)CC2)c1-c1nn[n-]n1 ZINC000826077573 608022137 /nfs/dbraw/zinc/02/21/37/608022137.db2.gz MXWHMQRZRFBNRS-UHFFFAOYSA-N 0 1 376.465 1.276 20 0 GDADMN Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826290242 608035148 /nfs/dbraw/zinc/03/51/48/608035148.db2.gz GSYMVMJLQIZORN-ZDUSSCGKSA-N 0 1 397.487 1.680 20 0 GDADMN Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826290242 608035149 /nfs/dbraw/zinc/03/51/49/608035149.db2.gz GSYMVMJLQIZORN-ZDUSSCGKSA-N 0 1 397.487 1.680 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000825934328 608035510 /nfs/dbraw/zinc/03/55/10/608035510.db2.gz MUPUPFCPXNWMFG-CYBMUJFWSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000825934328 608035511 /nfs/dbraw/zinc/03/55/11/608035511.db2.gz MUPUPFCPXNWMFG-CYBMUJFWSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000825934328 608035512 /nfs/dbraw/zinc/03/55/12/608035512.db2.gz 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O=C([C@@H]1CCCO1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571289502 946010407 /nfs/dbraw/zinc/01/04/07/946010407.db2.gz GCDLDIPXFPAVDY-KKUMJFAQSA-N 0 1 388.497 1.673 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571289502 946010421 /nfs/dbraw/zinc/01/04/21/946010421.db2.gz GCDLDIPXFPAVDY-KKUMJFAQSA-N 0 1 388.497 1.673 20 0 GDADMN Cc1nn[nH]c1C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[nH]n2)C1 ZINC001571289583 946012958 /nfs/dbraw/zinc/01/29/58/946012958.db2.gz IENGEEVIGWFMKG-OAHLLOKOSA-N 0 1 388.461 1.022 20 0 GDADMN C[C@H]1CN(C(=O)c2cnon2)CC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290096 946028622 /nfs/dbraw/zinc/02/86/22/946028622.db2.gz VDCRMTGDFKGYFO-WDEREUQCSA-N 0 1 388.457 1.199 20 0 GDADMN C[C@H]1CN(C(=O)c2cnon2)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290096 946028638 /nfs/dbraw/zinc/02/86/38/946028638.db2.gz VDCRMTGDFKGYFO-WDEREUQCSA-N 0 1 388.457 1.199 20 0 GDADMN O=C(CN1CCCC1)N[C@@H]1CCC[C@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001571290132 946029261 /nfs/dbraw/zinc/02/92/61/946029261.db2.gz VUOGYGWIBASZAR-SWLSCSKDSA-N 0 1 388.451 1.193 20 0 GDADMN CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571294771 946142902 /nfs/dbraw/zinc/14/29/02/946142902.db2.gz MANHSZJXZXWLRP-OAHLLOKOSA-N 0 1 389.529 1.445 20 0 GDADMN CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571294771 946142909 /nfs/dbraw/zinc/14/29/09/946142909.db2.gz MANHSZJXZXWLRP-OAHLLOKOSA-N 0 1 389.529 1.445 20 0 GDADMN Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)s1 ZINC001571295561 946166932 /nfs/dbraw/zinc/16/69/32/946166932.db2.gz XSWQXXNQWRPDOZ-BXKDBHETSA-N 0 1 389.510 1.943 20 0 GDADMN Cc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)s1 ZINC001571295561 946166939 /nfs/dbraw/zinc/16/69/39/946166939.db2.gz XSWQXXNQWRPDOZ-BXKDBHETSA-N 0 1 389.510 1.943 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571298196 946208584 /nfs/dbraw/zinc/20/85/84/946208584.db2.gz BZOZBHVTLCFVAS-MJXUCMMTSA-N 0 1 390.451 1.141 20 0 GDADMN Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)c3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298333 946213689 /nfs/dbraw/zinc/21/36/89/946213689.db2.gz DHKGALHOKNOFMC-YWZLYKJASA-N 0 1 390.451 1.754 20 0 GDADMN O=C(NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC001571298558 946221150 /nfs/dbraw/zinc/22/11/50/946221150.db2.gz AWEVQTSYNHRUGD-KGLIPLIRSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(NC[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC001571298558 946221161 /nfs/dbraw/zinc/22/11/61/946221161.db2.gz AWEVQTSYNHRUGD-KGLIPLIRSA-N 0 1 390.513 1.826 20 0 GDADMN Cc1nsc(NC2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571298581 946222552 /nfs/dbraw/zinc/22/25/52/946222552.db2.gz BFQVPDPZRLEJIP-BPCQOVAHSA-N 0 1 390.517 1.517 20 0 GDADMN Cc1nsc(NC2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571298581 946222559 /nfs/dbraw/zinc/22/25/59/946222559.db2.gz BFQVPDPZRLEJIP-BPCQOVAHSA-N 0 1 390.517 1.517 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000325428344 971215010 /nfs/dbraw/zinc/21/50/10/971215010.db2.gz YUPMEIQSDXDCEF-GXSJLCMTSA-N 0 1 376.862 1.808 20 0 GDADMN O=C(c1csnn1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299339 946246934 /nfs/dbraw/zinc/24/69/34/946246934.db2.gz LESSLMNBQINOKU-JTQLQIEISA-N 0 1 390.498 1.422 20 0 GDADMN O=C(c1csnn1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299339 946246946 /nfs/dbraw/zinc/24/69/46/946246946.db2.gz LESSLMNBQINOKU-JTQLQIEISA-N 0 1 390.498 1.422 20 0 GDADMN CC(=O)N[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[nH]n1)c1ccc(F)cc1F ZINC001573487465 946254626 /nfs/dbraw/zinc/25/46/26/946254626.db2.gz OOTKFJADPHAQAV-NSHDSACASA-N 0 1 376.327 1.074 20 0 GDADMN Cc1nccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4-c4nn[nH]n4)C[C@H]32)n1 ZINC001571299852 946263901 /nfs/dbraw/zinc/26/39/01/946263901.db2.gz WOHQOTURFOMSOZ-CRAIPNDOSA-N 0 1 390.451 1.312 20 0 GDADMN Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1-c1nn[n-]n1 ZINC001571300254 946279130 /nfs/dbraw/zinc/27/91/30/946279130.db2.gz XWUMFLUXHSSTAU-QWHCGFSZSA-N 0 1 390.517 1.376 20 0 GDADMN Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)c1-c1nn[n-]n1 ZINC001571300254 946279142 /nfs/dbraw/zinc/27/91/42/946279142.db2.gz XWUMFLUXHSSTAU-QWHCGFSZSA-N 0 1 390.517 1.376 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571301869 946285771 /nfs/dbraw/zinc/28/57/71/946285771.db2.gz GNFHZHGNMSGAMY-NEPJUHHUSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)C(C)(F)F ZINC001571302347 946300174 /nfs/dbraw/zinc/30/01/74/946300174.db2.gz VMKVYLBLLVGRCI-KPZWWZAWSA-N 0 1 391.426 1.982 20 0 GDADMN Cc1ccncc1C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571302574 946307476 /nfs/dbraw/zinc/30/74/76/946307476.db2.gz BTVJYIOZASEIRT-DZGCQCFKSA-N 0 1 391.439 1.101 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]cc2-c2nnn[n-]2)nn1 ZINC001571303731 946344469 /nfs/dbraw/zinc/34/44/69/946344469.db2.gz WKUFJQAUYNTXDZ-KCXAZCMYSA-N 0 1 391.439 1.208 20 0 GDADMN O=C(C[C@H]1CCCC1(F)F)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571309970 946459609 /nfs/dbraw/zinc/45/96/09/946459609.db2.gz QUKYXIDBYOUFBU-VXGBXAGGSA-N 0 1 392.414 1.567 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001571310439 946471078 /nfs/dbraw/zinc/47/10/78/946471078.db2.gz GCBWRPNFCPRONT-CTYIDZIISA-N 0 1 392.467 1.363 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@H](NC(=O)Cc2ccccc2)C1 ZINC001571310637 946478354 /nfs/dbraw/zinc/47/83/54/946478354.db2.gz LJEIPRDYOLEDFC-GOSISDBHSA-N 0 1 392.463 1.809 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1)c1ccccc1 ZINC001571313052 946510886 /nfs/dbraw/zinc/51/08/86/946510886.db2.gz IVMLFISJGUSTBG-IIAWOOMASA-N 0 1 392.467 1.389 20 0 GDADMN C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571314000 946539124 /nfs/dbraw/zinc/53/91/24/946539124.db2.gz YPLUPFUHRCTBLO-HUUCEWRRSA-N 0 1 392.467 1.218 20 0 GDADMN Cc1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)cc1C ZINC001571315810 946557884 /nfs/dbraw/zinc/55/78/84/946557884.db2.gz OQOIUDVNTXEURU-UHFFFAOYSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C23CCC3)n1C ZINC001571316254 946571078 /nfs/dbraw/zinc/57/10/78/946571078.db2.gz XNHXSDUIBZIIOH-SJORKVTESA-N 0 1 392.467 1.484 20 0 GDADMN Cc1cnc(C(=O)N[C@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c(C)c1 ZINC001571316922 946591973 /nfs/dbraw/zinc/59/19/73/946591973.db2.gz QBIZVSVQDUWBNX-HXUWFJFHSA-N 0 1 392.467 1.981 20 0 GDADMN CC[C@H](C(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317729 946619524 /nfs/dbraw/zinc/61/95/24/946619524.db2.gz SSEQCSXGSHGKIB-QWHCGFSZSA-N 0 1 392.533 1.622 20 0 GDADMN C[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568734 946806457 /nfs/dbraw/zinc/80/64/57/946806457.db2.gz CKJLHQSOAXONSA-FZMZJTMJSA-N 0 1 393.494 1.414 20 0 GDADMN C[C@H](NCc1cccc(-c2nn[nH]n2)c1F)c1ccc(S(N)(=O)=O)cc1 ZINC000824617053 946865400 /nfs/dbraw/zinc/86/54/00/946865400.db2.gz CIRRJGUVENQLIY-JTQLQIEISA-N 0 1 376.417 1.504 20 0 GDADMN CC[C@@H](C)NC(=O)[C@H](C)NCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068700 947065558 /nfs/dbraw/zinc/06/55/58/947065558.db2.gz VNFAFWUSNCMZAJ-OLZOCXBDSA-N 0 1 382.472 1.660 20 0 GDADMN CCC1(CO)CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825171552 947109867 /nfs/dbraw/zinc/10/98/67/947109867.db2.gz RNBSAQMOBCSOHW-KRWDZBQOSA-N 0 1 384.484 1.847 20 0 GDADMN C[C@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573593129 947362210 /nfs/dbraw/zinc/36/22/10/947362210.db2.gz QIWVUDIUNGVYRT-ZDUSSCGKSA-N 0 1 384.488 1.910 20 0 GDADMN COC[C@@H]([NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000826150731 947479650 /nfs/dbraw/zinc/47/96/50/947479650.db2.gz KNWLBNXJHQNCDP-OAHLLOKOSA-N 0 1 382.428 1.006 20 0 GDADMN C[C@H](C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573603396 947485365 /nfs/dbraw/zinc/48/53/65/947485365.db2.gz GBDGSVKEYVQSDY-NSHDSACASA-N 0 1 387.394 1.636 20 0 GDADMN C[C@@H](C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)C(C)(F)F ZINC001573613474 947562859 /nfs/dbraw/zinc/56/28/59/947562859.db2.gz AYZTVLKGDHCVEL-GWCFXTLKSA-N 0 1 379.415 1.624 20 0 GDADMN C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573616198 947618450 /nfs/dbraw/zinc/61/84/50/947618450.db2.gz VSCBDKKHKNUUBU-KPZWWZAWSA-N 0 1 382.428 1.126 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)(F)F ZINC001573616521 947622699 /nfs/dbraw/zinc/62/26/99/947622699.db2.gz JEFCWUMICIFCSD-SKDRFNHKSA-N 0 1 386.353 1.895 20 0 GDADMN C[C@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573616921 947629024 /nfs/dbraw/zinc/62/90/24/947629024.db2.gz ZGJTZLYRWXXHHH-DJJJIMSYSA-N 0 1 384.488 1.555 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](CCO)c2cccs2)cc1-c1nn[nH]n1 ZINC000826229570 947671509 /nfs/dbraw/zinc/67/15/09/947671509.db2.gz JFPMFCLBYDGFBY-JTQLQIEISA-N 0 1 392.466 1.604 20 0 GDADMN C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccsc1 ZINC001573623733 947690008 /nfs/dbraw/zinc/69/00/08/947690008.db2.gz HZUKMOVXLXVKJV-NSHDSACASA-N 0 1 384.469 1.347 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573627483 947725561 /nfs/dbraw/zinc/72/55/61/947725561.db2.gz CFIUAAJDOYRWBU-GOEBONIOSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573628620 947759297 /nfs/dbraw/zinc/75/92/97/947759297.db2.gz NAIOEQXQJKNNOB-HZSPNIEDSA-N 0 1 384.488 1.909 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573367949 947765086 /nfs/dbraw/zinc/76/50/86/947765086.db2.gz JPDRNNNUZRFVKD-HUUCEWRRSA-N 0 1 385.472 1.400 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001573368856 947769953 /nfs/dbraw/zinc/76/99/53/947769953.db2.gz PZSDYBHHZIAQER-MLGOLLRUSA-N 0 1 388.447 1.844 20 0 GDADMN CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573369827 947776468 /nfs/dbraw/zinc/77/64/68/947776468.db2.gz XLKWYWWZTBJEBZ-CQSZACIVSA-N 0 1 385.472 1.482 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573630251 947791299 /nfs/dbraw/zinc/79/12/99/947791299.db2.gz XCJNCDVGUZTGTC-NWDGAFQWSA-N 0 1 384.469 1.347 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573630797 947796756 /nfs/dbraw/zinc/79/67/56/947796756.db2.gz SGNPOOATNRPKKS-ZJUUUORDSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@@H](C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001573631517 947803040 /nfs/dbraw/zinc/80/30/40/947803040.db2.gz VWHNEOZGOXFIER-CYBMUJFWSA-N 0 1 382.472 1.522 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573374159 947806750 /nfs/dbraw/zinc/80/67/50/947806750.db2.gz NADCVJJOKKGXJT-MLGOLLRUSA-N 0 1 385.472 1.400 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001573375172 947817514 /nfs/dbraw/zinc/81/75/14/947817514.db2.gz MTQWJSNYTGSMMC-INIZCTEOSA-N 0 1 383.456 1.496 20 0 GDADMN CC(=O)CCCC(=O)N1CCC(CN(C)c2ccncc2-c2nn[nH]n2)CC1 ZINC001573376287 947834770 /nfs/dbraw/zinc/83/47/70/947834770.db2.gz XLJWIMWUALQKKB-UHFFFAOYSA-N 0 1 385.472 1.696 20 0 GDADMN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1-c1nn[nH]n1 ZINC000826299558 947867028 /nfs/dbraw/zinc/86/70/28/947867028.db2.gz KPABCDDDOSQJAI-UHFFFAOYSA-N 0 1 386.393 1.421 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573381533 947876874 /nfs/dbraw/zinc/87/68/74/947876874.db2.gz XAPZJVLVXBHXJC-ZDUSSCGKSA-N 0 1 386.460 1.137 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573648192 947906151 /nfs/dbraw/zinc/90/61/51/947906151.db2.gz XRBWPCLPRBAMRC-UMVBOHGHSA-N 0 1 385.497 1.927 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573648192 947906155 /nfs/dbraw/zinc/90/61/55/947906155.db2.gz XRBWPCLPRBAMRC-UMVBOHGHSA-N 0 1 385.497 1.927 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573650679 947910955 /nfs/dbraw/zinc/91/09/55/947910955.db2.gz CTELUMJGODPPGV-BMFZPTHFSA-N 0 1 396.499 1.768 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C(C)(C)C ZINC001573650742 947912721 /nfs/dbraw/zinc/91/27/21/947912721.db2.gz DNKVABVVVRWIHU-MJBXVCDLSA-N 0 1 384.488 1.624 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccc1 ZINC001573653247 947953970 /nfs/dbraw/zinc/95/39/70/947953970.db2.gz JYNXNEFISJAJHX-WFASDCNBSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccc1 ZINC001573653247 947953972 /nfs/dbraw/zinc/95/39/72/947953972.db2.gz JYNXNEFISJAJHX-WFASDCNBSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573655726 947978791 /nfs/dbraw/zinc/97/87/91/947978791.db2.gz YOVJBJQNALASGD-BDAKNGLRSA-N 0 1 386.382 1.220 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573656354 947988250 /nfs/dbraw/zinc/98/82/50/947988250.db2.gz DYZDPFAOGJYDEF-XJKSGUPXSA-N 0 1 385.472 1.552 20 0 GDADMN Cc1onc(CC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343402 947990888 /nfs/dbraw/zinc/99/08/88/947990888.db2.gz ZHEMUBCDTBOUDJ-INIZCTEOSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343402 947990892 /nfs/dbraw/zinc/99/08/92/947990892.db2.gz ZHEMUBCDTBOUDJ-INIZCTEOSA-N 0 1 395.467 1.829 20 0 GDADMN C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CCC1 ZINC001573661761 948021570 /nfs/dbraw/zinc/02/15/70/948021570.db2.gz AFZLZFTXLSYKHR-PJFSTRORSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@H](C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573663744 948042101 /nfs/dbraw/zinc/04/21/01/948042101.db2.gz PGPLUCRJLXYGIU-VBKZILBWSA-N 0 1 384.484 1.356 20 0 GDADMN Cc1onc(CC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826347008 948047527 /nfs/dbraw/zinc/04/75/27/948047527.db2.gz AWCBQXBTOOVHBN-STQMWFEESA-N 0 1 375.477 1.580 20 0 GDADMN Cc1onc(CC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826347008 948047535 /nfs/dbraw/zinc/04/75/35/948047535.db2.gz AWCBQXBTOOVHBN-STQMWFEESA-N 0 1 375.477 1.580 20 0 GDADMN Cc1onc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826347578 948056646 /nfs/dbraw/zinc/05/66/46/948056646.db2.gz VVZULNYYFUEFDD-UHFFFAOYSA-N 0 1 395.467 1.734 20 0 GDADMN Cc1onc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826347578 948056650 /nfs/dbraw/zinc/05/66/50/948056650.db2.gz VVZULNYYFUEFDD-UHFFFAOYSA-N 0 1 395.467 1.734 20 0 GDADMN C[C@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573664698 948060604 /nfs/dbraw/zinc/06/06/04/948060604.db2.gz GHPALBOBYLYKLR-KPPDAEKUSA-N 0 1 380.403 1.209 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573671364 948108088 /nfs/dbraw/zinc/10/80/88/948108088.db2.gz FHIPEPNDQOGOAA-KDOFPFPSSA-N 0 1 377.452 1.756 20 0 GDADMN C[C@H](C(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(C)C ZINC001573678575 948152454 /nfs/dbraw/zinc/15/24/54/948152454.db2.gz FHOACOLXWFDDBT-HTQZYQBOSA-N 0 1 387.897 1.548 20 0 GDADMN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccn1 ZINC001573679030 948159122 /nfs/dbraw/zinc/15/91/22/948159122.db2.gz HQCDSPNKJOCHPS-FZMZJTMJSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccn1 ZINC001573679030 948159128 /nfs/dbraw/zinc/15/91/28/948159128.db2.gz HQCDSPNKJOCHPS-FZMZJTMJSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001573681905 948216902 /nfs/dbraw/zinc/21/69/02/948216902.db2.gz YSBPBCIZORNYHL-JQWIXIFHSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCC1 ZINC001573694638 948296360 /nfs/dbraw/zinc/29/63/60/948296360.db2.gz CRMDXVOGXKVTPH-KZULUSFZSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCC1 ZINC001573694638 948296365 /nfs/dbraw/zinc/29/63/65/948296365.db2.gz CRMDXVOGXKVTPH-KZULUSFZSA-N 0 1 390.513 1.417 20 0 GDADMN O=C1[C@H](N2CCC[C@@H](c3cc[nH]n3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476727 948384071 /nfs/dbraw/zinc/38/40/71/948384071.db2.gz NKQMHIFIUQJRIE-CRAIPNDOSA-N 0 1 392.467 1.965 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573707539 948435934 /nfs/dbraw/zinc/43/59/34/948435934.db2.gz PVQOORLNXJUMQR-CHWSQXEVSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573707539 948435941 /nfs/dbraw/zinc/43/59/41/948435941.db2.gz PVQOORLNXJUMQR-CHWSQXEVSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573707539 948435944 /nfs/dbraw/zinc/43/59/44/948435944.db2.gz PVQOORLNXJUMQR-CHWSQXEVSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573707539 948435950 /nfs/dbraw/zinc/43/59/50/948435950.db2.gz PVQOORLNXJUMQR-CHWSQXEVSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CC1 ZINC001573707739 948437854 /nfs/dbraw/zinc/43/78/54/948437854.db2.gz PHLYQKHHSZEHRY-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCCCC1 ZINC001573716569 948501522 /nfs/dbraw/zinc/50/15/22/948501522.db2.gz HZAFAUYFIZMNFS-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573739919 948625647 /nfs/dbraw/zinc/62/56/47/948625647.db2.gz IPJMLGQFJGWJJN-RGYTYGDFSA-N 0 1 390.451 1.319 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573754082 948724965 /nfs/dbraw/zinc/72/49/65/948724965.db2.gz ZYGQYATXMBCRNX-SRVKXCTJSA-N 0 1 382.403 1.081 20 0 GDADMN CC(C)[C@H](F)C(=O)N1CCC2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001574075642 948747452 /nfs/dbraw/zinc/74/74/52/948747452.db2.gz XWFOOEBMRODZKK-AWEZNQCLSA-N 0 1 388.451 1.470 20 0 GDADMN CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001574079671 948775416 /nfs/dbraw/zinc/77/54/16/948775416.db2.gz DTIOGVVHVQYXQK-OAHLLOKOSA-N 0 1 390.467 1.248 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574916958 948797614 /nfs/dbraw/zinc/79/76/14/948797614.db2.gz NKCGNFBTLFJVAN-ZDUSSCGKSA-N 0 1 383.431 1.628 20 0 GDADMN CC(F)(F)CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001575225268 948803259 /nfs/dbraw/zinc/80/32/59/948803259.db2.gz YLYLDTATPHVKOD-LLVKDONJSA-N 0 1 380.403 1.211 20 0 GDADMN CC(C)c1cccc(CN(C)[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574420598 948803198 /nfs/dbraw/zinc/80/31/98/948803198.db2.gz ZPHARXYZNNGVLB-CYBMUJFWSA-N 0 1 382.472 1.964 20 0 GDADMN CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420866 948807548 /nfs/dbraw/zinc/80/75/48/948807548.db2.gz CFQWFHAQIHZOFD-WCQYABFASA-N 0 1 382.428 1.368 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575227322 948827357 /nfs/dbraw/zinc/82/73/57/948827357.db2.gz SUAXENNUTKJALO-QWRGUYRKSA-N 0 1 378.387 1.272 20 0 GDADMN CC(C)(C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573762667 948860477 /nfs/dbraw/zinc/86/04/77/948860477.db2.gz XUBRWQHLATXGNQ-UHFFFAOYSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)c1nc(CN(C)CCCN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001574425204 948868635 /nfs/dbraw/zinc/86/86/35/948868635.db2.gz ATYHERBDZNQSBV-UHFFFAOYSA-N 0 1 386.464 1.030 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)CCNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574685602 948909883 /nfs/dbraw/zinc/90/98/83/948909883.db2.gz XTMFZNWHYPNABJ-SECBINFHSA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574685602 948909923 /nfs/dbraw/zinc/90/99/23/948909923.db2.gz XTMFZNWHYPNABJ-SECBINFHSA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574685602 948909937 /nfs/dbraw/zinc/90/99/37/948909937.db2.gz XTMFZNWHYPNABJ-SECBINFHSA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001574088330 948916027 /nfs/dbraw/zinc/91/60/27/948916027.db2.gz AWTZSRRHZQKUKF-WSMBLCCSSA-N 0 1 385.472 1.194 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001575235802 948928543 /nfs/dbraw/zinc/92/85/43/948928543.db2.gz QSBUOVVVJXTOMW-JYAVWHMHSA-N 0 1 380.374 1.598 20 0 GDADMN CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001574089363 948952351 /nfs/dbraw/zinc/95/23/51/948952351.db2.gz JNHYZIYEUBMZHL-UGSOOPFHSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573774066 949000072 /nfs/dbraw/zinc/00/00/72/949000072.db2.gz PXYHRMDQLKETRV-AWEZNQCLSA-N 0 1 378.440 1.329 20 0 GDADMN Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cn1 ZINC000364102490 971540059 /nfs/dbraw/zinc/54/00/59/971540059.db2.gz NPYTYTRSRAVMDE-UHFFFAOYSA-N 0 1 390.421 1.962 20 0 GDADMN C[C@H](CNC(=O)COC(C)(C)C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574928594 949059228 /nfs/dbraw/zinc/05/92/28/949059228.db2.gz PGCKFSZLYMFSQX-GFCCVEGCSA-N 0 1 378.452 1.757 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001574093919 949123128 /nfs/dbraw/zinc/12/31/28/949123128.db2.gz TVSGFWKTVWUXJF-NXEZZACHSA-N 0 1 381.893 1.917 20 0 GDADMN CC(C)(C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573782738 949128394 /nfs/dbraw/zinc/12/83/94/949128394.db2.gz WWVVNMMEGHUMAV-NSHDSACASA-N 0 1 379.415 1.886 20 0 GDADMN C[C@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575251282 949132968 /nfs/dbraw/zinc/13/29/68/949132968.db2.gz AHYQGPZTSYSIAX-KBPBESRZSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574447490 949161668 /nfs/dbraw/zinc/16/16/68/949161668.db2.gz PXEXMEBNQXVSOF-AWEZNQCLSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574447537 949162874 /nfs/dbraw/zinc/16/28/74/949162874.db2.gz SCKBFXWMCSRYGO-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574447537 949162881 /nfs/dbraw/zinc/16/28/81/949162881.db2.gz SCKBFXWMCSRYGO-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574934594 949167823 /nfs/dbraw/zinc/16/78/23/949167823.db2.gz LTBKKMZDEMGEMT-LLVKDONJSA-N 0 1 390.444 1.741 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574934594 949167832 /nfs/dbraw/zinc/16/78/32/949167832.db2.gz LTBKKMZDEMGEMT-LLVKDONJSA-N 0 1 390.444 1.741 20 0 GDADMN C[C@H](NC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1)C1=NN(C)CC1=O ZINC001575252756 949171217 /nfs/dbraw/zinc/17/12/17/949171217.db2.gz HFNSOHWWJILKFE-LBPRGKRZSA-N 0 1 381.440 1.995 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1F)CNc1ccncc1-c1nn[nH]n1 ZINC001574934651 949171476 /nfs/dbraw/zinc/17/14/76/949171476.db2.gz NCAUGFOKBPSQIK-LBPRGKRZSA-N 0 1 385.403 1.066 20 0 GDADMN C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935595 949198484 /nfs/dbraw/zinc/19/84/84/949198484.db2.gz CYJYPNSWQYACEU-LBPRGKRZSA-N 0 1 391.439 1.322 20 0 GDADMN CC(C)c1scnc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574451800 949249536 /nfs/dbraw/zinc/24/95/36/949249536.db2.gz ZFTKNOKLWDGQFE-MNOVXSKESA-N 0 1 386.485 1.882 20 0 GDADMN CC(C)n1cc(C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001574452453 949256527 /nfs/dbraw/zinc/25/65/27/949256527.db2.gz JKIKGNPCWYXPPB-UHFFFAOYSA-N 0 1 382.472 1.848 20 0 GDADMN C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574701486 949262847 /nfs/dbraw/zinc/26/28/47/949262847.db2.gz BCARHIQQOFTVQP-CYBMUJFWSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc3cc(-c4nn[nH]n4)ccc3[nH]1)CS2 ZINC001575860071 949286067 /nfs/dbraw/zinc/28/60/67/949286067.db2.gz CFNWGTLPVNVATB-MEDUHNTESA-N 0 1 384.425 1.136 20 0 GDADMN C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575259204 949322910 /nfs/dbraw/zinc/32/29/10/949322910.db2.gz NUEXOVQKQYYJMI-CHWSQXEVSA-N 0 1 385.472 1.196 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(C(F)F)CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703571 949338465 /nfs/dbraw/zinc/33/84/65/949338465.db2.gz WLGAAWZJYJTYHG-JTQLQIEISA-N 0 1 382.390 1.988 20 0 GDADMN CC1=CC[C@](C)(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575864273 949358464 /nfs/dbraw/zinc/35/84/64/949358464.db2.gz HBNRDGBPBOKRKI-LIRRHRJNSA-N 0 1 382.472 1.878 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704193 949378093 /nfs/dbraw/zinc/37/80/93/949378093.db2.gz APCKLYZKEQYFIU-UONOGXRCSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)n1cccc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574463881 949389060 /nfs/dbraw/zinc/38/90/60/949389060.db2.gz FCBXKFFQQPOWKF-UHFFFAOYSA-N 0 1 381.444 1.438 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704424 949391013 /nfs/dbraw/zinc/39/10/13/949391013.db2.gz CFPWSZCYXCKMOR-WBMJQRKESA-N 0 1 376.436 1.511 20 0 GDADMN C[C@@]1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nnn[n-]4)s2)C3)CCOC1 ZINC001575528205 949391292 /nfs/dbraw/zinc/39/12/92/949391292.db2.gz OUPRLKHRFLMOLL-QGZVFWFLSA-N 0 1 388.497 1.389 20 0 GDADMN C[C@@]1(C(=O)N2CC3(C2)CC[N@@H+](Cc2ccc(-c4nnn[n-]4)s2)C3)CCOC1 ZINC001575528205 949391314 /nfs/dbraw/zinc/39/13/14/949391314.db2.gz OUPRLKHRFLMOLL-QGZVFWFLSA-N 0 1 388.497 1.389 20 0 GDADMN CC(C)(C)C(=O)NC[C@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)CCO1 ZINC001573803298 949440802 /nfs/dbraw/zinc/44/08/02/949440802.db2.gz QBKICQBPWGXJEM-QMMMGPOBSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@H]1CCC[C@H](OCC(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001576156493 949444704 /nfs/dbraw/zinc/44/47/04/949444704.db2.gz YUAICPIWOYRCTE-KBPBESRZSA-N 0 1 385.472 1.340 20 0 GDADMN CC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573804504 949473093 /nfs/dbraw/zinc/47/30/93/949473093.db2.gz WOJDHANAVCCYBK-SFHVURJKSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575266446 949478006 /nfs/dbraw/zinc/47/80/06/949478006.db2.gz CZEXOVVTRBXKCG-WDEREUQCSA-N 0 1 380.403 1.423 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574707873 949480229 /nfs/dbraw/zinc/48/02/29/949480229.db2.gz RHVMBRPBXQRSDV-RKDXNWHRSA-N 0 1 385.881 1.805 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574471079 949522419 /nfs/dbraw/zinc/52/24/19/949522419.db2.gz ZILWXSVCQDYBTJ-MRXNPFEDSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@@H](NC(=O)C[C@@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268950 949530620 /nfs/dbraw/zinc/53/06/20/949530620.db2.gz PZHUBZHDRAMKDI-NEPJUHHUSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575269164 949543401 /nfs/dbraw/zinc/54/34/01/949543401.db2.gz RTZLQTDLUDAUCL-TZMCWYRMSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575873663 949586197 /nfs/dbraw/zinc/58/61/97/949586197.db2.gz BJRTWKVXSMSHTB-DOMZBBRYSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001575545512 949602264 /nfs/dbraw/zinc/60/22/64/949602264.db2.gz LFKLINASFGPMQS-SJKOYZFVSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001575545512 949602274 /nfs/dbraw/zinc/60/22/74/949602274.db2.gz LFKLINASFGPMQS-SJKOYZFVSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575547286 949626406 /nfs/dbraw/zinc/62/64/06/949626406.db2.gz WVAZCXCGYVPFSL-SCLBCKFNSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCOC1 ZINC001575547286 949626414 /nfs/dbraw/zinc/62/64/14/949626414.db2.gz WVAZCXCGYVPFSL-SCLBCKFNSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@H](CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001574477052 949633025 /nfs/dbraw/zinc/63/30/25/949633025.db2.gz ODCPWCUSSQCPJT-OAHLLOKOSA-N 0 1 382.472 1.999 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575876131 949640330 /nfs/dbraw/zinc/64/03/30/949640330.db2.gz JDSUOHXIVACXCY-OCCSQVGLSA-N 0 1 386.460 1.089 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573815192 949648872 /nfs/dbraw/zinc/64/88/72/949648872.db2.gz GVZZQPGIGSIVFY-GJZGRUSLSA-N 0 1 392.467 1.361 20 0 GDADMN C[C@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576169038 949661614 /nfs/dbraw/zinc/66/16/14/949661614.db2.gz IAIRIRKSWZTKNW-KBPBESRZSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001573816189 949675445 /nfs/dbraw/zinc/67/54/45/949675445.db2.gz PMXPWFJYXVLTET-VIFPVBQESA-N 0 1 380.403 1.067 20 0 GDADMN C[C@H]1[C@H](NC(=O)CN2CCCC2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575879274 949685958 /nfs/dbraw/zinc/68/59/58/949685958.db2.gz QAFPZZQYJIJEAW-DZGCQCFKSA-N 0 1 387.463 1.575 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H](C)c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574716391 949695222 /nfs/dbraw/zinc/69/52/22/949695222.db2.gz NWUWOXONKBYHMS-ZIAGYGMSSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@]1(C(=O)N2C[C@H]3CCN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)C=CCC1 ZINC001575557116 949708634 /nfs/dbraw/zinc/70/86/34/949708634.db2.gz ARICTZNCBDUCEC-SIFCLUCFSA-N 0 1 379.468 1.903 20 0 GDADMN CCCCCC[C@@](O)(C[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)C(=O)OC ZINC001589644865 949712865 /nfs/dbraw/zinc/71/28/65/949712865.db2.gz CPIOULPECDSLDO-IYLMUMIBSA-N 0 1 399.484 1.447 20 0 GDADMN C[C@@H](NC(=O)CCc1ccncc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575276266 949713795 /nfs/dbraw/zinc/71/37/95/949713795.db2.gz HYLBLLQDSVIDQT-OAHLLOKOSA-N 0 1 391.479 1.831 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1occc1Cl ZINC001573818198 949723635 /nfs/dbraw/zinc/72/36/35/949723635.db2.gz IDNLRQKCKGPDJY-SNVBAGLBSA-N 0 1 390.835 1.582 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574479008 949725812 /nfs/dbraw/zinc/72/58/12/949725812.db2.gz CBXUGXYHIVNVFZ-NXEZZACHSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574717378 949732066 /nfs/dbraw/zinc/73/20/66/949732066.db2.gz VNXOHTJVDSWNSW-DOMZBBRYSA-N 0 1 376.436 1.511 20 0 GDADMN C[C@]1(C(=O)N2C[C@H]3CCN(Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)CCOC1 ZINC001575559841 949767399 /nfs/dbraw/zinc/76/73/99/949767399.db2.gz YBWILXMPCYTZQS-HLIPFELVSA-N 0 1 382.468 1.326 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573820338 949768260 /nfs/dbraw/zinc/76/82/60/949768260.db2.gz YDCMBSBIQMFQGY-MPTQWLOMSA-N 0 1 385.472 1.194 20 0 GDADMN C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001576171741 949776588 /nfs/dbraw/zinc/77/65/88/949776588.db2.gz RNIDEVZIDFONSM-ZIAGYGMSSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574481886 949807473 /nfs/dbraw/zinc/80/74/73/949807473.db2.gz XDCOTENDSUCZAS-KBPBESRZSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574965699 949809099 /nfs/dbraw/zinc/80/90/99/949809099.db2.gz JOCQVMVJCCZNMV-MOFZMDFASA-N 0 1 388.447 1.559 20 0 GDADMN C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574965694 949810838 /nfs/dbraw/zinc/81/08/38/949810838.db2.gz JMRQRFALEBKDIM-CFVMTHIKSA-N 0 1 378.440 1.047 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1cccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574721165 949811500 /nfs/dbraw/zinc/81/15/00/949811500.db2.gz JWKZMMCDQDVFFH-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1cccnc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574721165 949811522 /nfs/dbraw/zinc/81/15/22/949811522.db2.gz JWKZMMCDQDVFFH-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574140602 949833863 /nfs/dbraw/zinc/83/38/63/949833863.db2.gz OPBYWNNZAMKYRE-TUVASFSCSA-N 0 1 384.488 1.955 20 0 GDADMN C[C@@H](NC(=O)COc1ccccc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283347 949867987 /nfs/dbraw/zinc/86/79/87/949867987.db2.gz OHXZKSVXOMJXMA-OAHLLOKOSA-N 0 1 392.463 1.882 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001574484497 949884677 /nfs/dbraw/zinc/88/46/77/949884677.db2.gz HWPHYJRJUREJMU-CABCVRRESA-N 0 1 380.456 1.539 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574725324 949896705 /nfs/dbraw/zinc/89/67/05/949896705.db2.gz RVHIOUYHUXOTFP-SECBINFHSA-N 0 1 386.913 1.576 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574725324 949896768 /nfs/dbraw/zinc/89/67/68/949896768.db2.gz RVHIOUYHUXOTFP-SECBINFHSA-N 0 1 386.913 1.576 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574725324 949896793 /nfs/dbraw/zinc/89/67/93/949896793.db2.gz RVHIOUYHUXOTFP-SECBINFHSA-N 0 1 386.913 1.576 20 0 GDADMN C[C@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575284530 949906930 /nfs/dbraw/zinc/90/69/30/949906930.db2.gz JFZGMCQQWFXRLG-GOEBONIOSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)CC(C)(C)C ZINC001574484869 949907870 /nfs/dbraw/zinc/90/78/70/949907870.db2.gz QILZYEKCMJUDRX-UONOGXRCSA-N 0 1 386.504 1.944 20 0 GDADMN C[C@@H](NC(=O)CCn1cccn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285571 949952858 /nfs/dbraw/zinc/95/28/58/949952858.db2.gz OXNZKYCUEYEIDP-GFCCVEGCSA-N 0 1 386.485 1.152 20 0 GDADMN C[C@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180679 949972699 /nfs/dbraw/zinc/97/26/99/949972699.db2.gz QGQYZPWYQBGXKN-FZMZJTMJSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576180793 949972731 /nfs/dbraw/zinc/97/27/31/949972731.db2.gz IZSMFOYYMDISOL-BXUZGUMPSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576180793 949972748 /nfs/dbraw/zinc/97/27/48/949972748.db2.gz IZSMFOYYMDISOL-BXUZGUMPSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180915 949975711 /nfs/dbraw/zinc/97/57/11/949975711.db2.gz FZHKVMLNNKHDMI-KGLIPLIRSA-N 0 1 381.440 1.416 20 0 GDADMN CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCCCC1 ZINC001575573916 950006245 /nfs/dbraw/zinc/00/62/45/950006245.db2.gz QEZSKKFKDVHZPX-ZDUSSCGKSA-N 0 1 392.529 1.855 20 0 GDADMN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001576181447 950009417 /nfs/dbraw/zinc/00/94/17/950009417.db2.gz UPHXBWPJAQAHTE-NEPJUHHUSA-N 0 1 382.465 1.405 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1cc(F)cc(F)c1 ZINC001574974938 950011205 /nfs/dbraw/zinc/01/12/05/950011205.db2.gz FECJKAQNVRFOMR-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574491793 950047807 /nfs/dbraw/zinc/04/78/07/950047807.db2.gz GDCMJRAZPKWVBY-VHSXEESVSA-N 0 1 384.366 1.330 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnsn1 ZINC001574151299 950070904 /nfs/dbraw/zinc/07/09/04/950070904.db2.gz OWIHVHJDUFNTBN-SNVBAGLBSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnsn1 ZINC001574151299 950070923 /nfs/dbraw/zinc/07/09/23/950070923.db2.gz OWIHVHJDUFNTBN-SNVBAGLBSA-N 0 1 392.514 1.714 20 0 GDADMN CC1(C(=O)NC[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)CCCCC1 ZINC001575577056 950078863 /nfs/dbraw/zinc/07/88/63/950078863.db2.gz UUQIDNMVBBBOON-OAHLLOKOSA-N 0 1 390.463 1.543 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(F)cn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151633 950087922 /nfs/dbraw/zinc/08/79/22/950087922.db2.gz WQLYZSKILCQXSO-CQSZACIVSA-N 0 1 386.435 1.663 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O ZINC001573839152 950125206 /nfs/dbraw/zinc/12/52/06/950125206.db2.gz MNQAROOTXOYXJP-HTQZYQBOSA-N 0 1 385.881 1.079 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574493306 950127390 /nfs/dbraw/zinc/12/73/90/950127390.db2.gz SCIJWWBIMHAMDM-GOEBONIOSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184698 950137036 /nfs/dbraw/zinc/13/70/36/950137036.db2.gz XGOATRNQXPXZOC-DZGCQCFKSA-N 0 1 383.456 1.274 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575898761 950155665 /nfs/dbraw/zinc/15/56/65/950155665.db2.gz UFDZQVXIAWOJRM-CJNGLKHVSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cnc(Cl)s1 ZINC001574737991 950162818 /nfs/dbraw/zinc/16/28/18/950162818.db2.gz AIPUMNQHIPPLDT-QMMMGPOBSA-N 0 1 380.865 1.555 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)c1ccco1 ZINC001574155546 950195939 /nfs/dbraw/zinc/19/59/39/950195939.db2.gz NIZOXEWLEMZRNF-CHWSQXEVSA-N 0 1 384.444 1.418 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)c1ccco1 ZINC001574155547 950197557 /nfs/dbraw/zinc/19/75/57/950197557.db2.gz NIZOXEWLEMZRNF-OLZOCXBDSA-N 0 1 384.444 1.418 20 0 GDADMN C[C@H](CC(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574496445 950210254 /nfs/dbraw/zinc/21/02/54/950210254.db2.gz WAGCMTPXAMAKNB-OLZOCXBDSA-N 0 1 383.460 1.130 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCC12CC2 ZINC001574156111 950223209 /nfs/dbraw/zinc/22/32/09/950223209.db2.gz WXLYHQUKULXRAN-ZIAGYGMSSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(F)cn1 ZINC001574157701 950248705 /nfs/dbraw/zinc/24/87/05/950248705.db2.gz HAZFHSAYSCLDDG-CYBMUJFWSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001574497976 950249979 /nfs/dbraw/zinc/24/99/79/950249979.db2.gz HKOQZLFTUXKPJR-ZFWWWQNUSA-N 0 1 387.488 1.179 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575902438 950259813 /nfs/dbraw/zinc/25/98/13/950259813.db2.gz UWLPFCUPNDHOIJ-KOLCDFICSA-N 0 1 388.819 1.690 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192703 950261697 /nfs/dbraw/zinc/26/16/97/950261697.db2.gz QBXUJEINWKVDIB-VXGBXAGGSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574499429 950299006 /nfs/dbraw/zinc/29/90/06/950299006.db2.gz VLIHSAYRISLADU-CYBMUJFWSA-N 0 1 378.440 1.333 20 0 GDADMN C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574499211 950299355 /nfs/dbraw/zinc/29/93/55/950299355.db2.gz TZIINESESDMTHQ-HIFPTAJRSA-N 0 1 382.428 1.172 20 0 GDADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159360 950307562 /nfs/dbraw/zinc/30/75/62/950307562.db2.gz GCQYITIHPRIIHI-XJKSGUPXSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159360 950307585 /nfs/dbraw/zinc/30/75/85/950307585.db2.gz GCQYITIHPRIIHI-XJKSGUPXSA-N 0 1 389.508 1.186 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ncccc1F ZINC001575906343 950313767 /nfs/dbraw/zinc/31/37/67/950313767.db2.gz HQBPQUJVIDVRQF-GWCFXTLKSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ncccc1F ZINC001575906343 950313786 /nfs/dbraw/zinc/31/37/86/950313786.db2.gz HQBPQUJVIDVRQF-GWCFXTLKSA-N 0 1 387.444 1.855 20 0 GDADMN O=C([O-])C1(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000379677336 971653894 /nfs/dbraw/zinc/65/38/94/971653894.db2.gz ARRHNAPRTAAHMN-KRWDZBQOSA-N 0 1 375.469 1.832 20 0 GDADMN CC1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCC2(F)F)CC1 ZINC001575594043 950325365 /nfs/dbraw/zinc/32/53/65/950325365.db2.gz JDDHZIWSJINGPN-JTQLQIEISA-N 0 1 378.387 1.035 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccsn1 ZINC001575906994 950326904 /nfs/dbraw/zinc/32/69/04/950326904.db2.gz LNDYAGMQLSRKRM-ONGXEEELSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccsn1 ZINC001575906994 950326926 /nfs/dbraw/zinc/32/69/26/950326926.db2.gz LNDYAGMQLSRKRM-ONGXEEELSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576194011 950329026 /nfs/dbraw/zinc/32/90/26/950329026.db2.gz XMIIVPOCVYGAOJ-DZGCQCFKSA-N 0 1 378.440 1.289 20 0 GDADMN CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575596068 950367915 /nfs/dbraw/zinc/36/79/15/950367915.db2.gz RRDITIHZSROFBI-OAHLLOKOSA-N 0 1 390.451 1.677 20 0 GDADMN CC1(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575597274 950406977 /nfs/dbraw/zinc/40/69/77/950406977.db2.gz NMJAKLSEDRRRRV-XYPYZODXSA-N 0 1 377.399 1.426 20 0 GDADMN CC1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575599251 950427989 /nfs/dbraw/zinc/42/79/89/950427989.db2.gz IMUZPIATONARHB-SNVBAGLBSA-N 0 1 378.387 1.177 20 0 GDADMN CC1CCN(CC(=O)N[C@]2(C)CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576203304 950442543 /nfs/dbraw/zinc/44/25/43/950442543.db2.gz GJZOQVPLERNRNU-LJQANCHMSA-N 0 1 384.488 1.079 20 0 GDADMN CC(C)CC1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574165315 950444585 /nfs/dbraw/zinc/44/45/85/950444585.db2.gz CXNNKXIMZKMFGX-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CCNC(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574507771 950464171 /nfs/dbraw/zinc/46/41/71/950464171.db2.gz ILWHUZDMWSJPCO-STQMWFEESA-N 0 1 388.501 1.760 20 0 GDADMN C[C@@H](CCNC(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574507771 950464188 /nfs/dbraw/zinc/46/41/88/950464188.db2.gz ILWHUZDMWSJPCO-STQMWFEESA-N 0 1 388.501 1.760 20 0 GDADMN C[C@H](CC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccccc1F ZINC001574507690 950464884 /nfs/dbraw/zinc/46/48/84/950464884.db2.gz HLWQJUFLDVELOX-GFCCVEGCSA-N 0 1 384.419 1.542 20 0 GDADMN C[C@@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204777 950477763 /nfs/dbraw/zinc/47/77/63/950477763.db2.gz RIBJUOAOUOAOPV-OLZOCXBDSA-N 0 1 375.452 1.289 20 0 GDADMN C[C@@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576204777 950477778 /nfs/dbraw/zinc/47/77/78/950477778.db2.gz RIBJUOAOUOAOPV-OLZOCXBDSA-N 0 1 375.452 1.289 20 0 GDADMN CC(C)CCC(=O)N(C)C[C@H](O)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574167558 950483576 /nfs/dbraw/zinc/48/35/76/950483576.db2.gz DYHUDMMIAWYIMG-OAHLLOKOSA-N 0 1 392.479 1.693 20 0 GDADMN CC[N@@H+](CCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1CCCCC1 ZINC001589730752 950505013 /nfs/dbraw/zinc/50/50/13/950505013.db2.gz VLXDOGVDAPSUTE-UHFFFAOYSA-N 0 1 388.530 1.427 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1ccncc1-c1nn[nH]n1 ZINC001574997233 950538243 /nfs/dbraw/zinc/53/82/43/950538243.db2.gz SDUFLZRZNFGACP-LLVKDONJSA-N 0 1 383.460 1.182 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575000008 950588166 /nfs/dbraw/zinc/58/81/66/950588166.db2.gz ODASOHYKXUCVJQ-VIFPVBQESA-N 0 1 389.370 1.244 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573870310 950589072 /nfs/dbraw/zinc/58/90/72/950589072.db2.gz URYRWWXFTNXNGD-GXTWGEPZSA-N 0 1 390.513 1.776 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573870310 950589093 /nfs/dbraw/zinc/58/90/93/950589093.db2.gz URYRWWXFTNXNGD-GXTWGEPZSA-N 0 1 390.513 1.776 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573870868 950602963 /nfs/dbraw/zinc/60/29/63/950602963.db2.gz YSCSZOTYSALZSG-CQSZACIVSA-N 0 1 375.477 1.442 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001574173719 950604444 /nfs/dbraw/zinc/60/44/44/950604444.db2.gz MCYXKNPTRFPIME-CABCVRRESA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)(C)OCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573870863 950604604 /nfs/dbraw/zinc/60/46/04/950604604.db2.gz YQWKSPZSEGWMPX-UHFFFAOYSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)OCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573870863 950604620 /nfs/dbraw/zinc/60/46/20/950604620.db2.gz YQWKSPZSEGWMPX-UHFFFAOYSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574758420 950612687 /nfs/dbraw/zinc/61/26/87/950612687.db2.gz CMDAGQQYSZAXCU-LBPRGKRZSA-N 0 1 379.424 1.191 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573871327 950612617 /nfs/dbraw/zinc/61/26/17/950612617.db2.gz NYBLFIBGZUCARC-ZDUSSCGKSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573871327 950612638 /nfs/dbraw/zinc/61/26/38/950612638.db2.gz NYBLFIBGZUCARC-ZDUSSCGKSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575001461 950632056 /nfs/dbraw/zinc/63/20/56/950632056.db2.gz KVDGACXFFNQKPL-LBPRGKRZSA-N 0 1 380.456 1.369 20 0 GDADMN C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575001342 950632651 /nfs/dbraw/zinc/63/26/51/950632651.db2.gz KUAVKOQLGLUHQP-LLVKDONJSA-N 0 1 382.428 1.383 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574759603 950643296 /nfs/dbraw/zinc/64/32/96/950643296.db2.gz PIWUQPCDMHSGJC-LBPRGKRZSA-N 0 1 383.460 1.208 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575923476 950657993 /nfs/dbraw/zinc/65/79/93/950657993.db2.gz BPFXRIDHCXAMNO-YGRLFVJLSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1ccnc1 ZINC001574518967 950663967 /nfs/dbraw/zinc/66/39/67/950663967.db2.gz SCLMRFINNIHSRN-UPJWGTAASA-N 0 1 386.485 1.513 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccsc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760323 950664564 /nfs/dbraw/zinc/66/45/64/950664564.db2.gz IQQJOOBUXHOPRU-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN CC(C)(C)Oc1ccccc1CNC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001573876712 950681217 /nfs/dbraw/zinc/68/12/17/950681217.db2.gz STQCLFAQLRODGR-UHFFFAOYSA-N 0 1 385.432 1.135 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC001575925840 950691478 /nfs/dbraw/zinc/69/14/78/950691478.db2.gz VGIGYJVRWXVYMK-BXUZGUMPSA-N 0 1 389.423 1.275 20 0 GDADMN CC1(C)CC(C(=O)NC[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575628516 950719850 /nfs/dbraw/zinc/71/98/50/950719850.db2.gz DXGDCSKHFSEYRD-CQSZACIVSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccc1 ZINC001575926749 950721990 /nfs/dbraw/zinc/72/19/90/950721990.db2.gz LKFSUIRNVZKXPH-PBHICJAKSA-N 0 1 377.452 1.718 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575927041 950731601 /nfs/dbraw/zinc/73/16/01/950731601.db2.gz NFCMTVPJJSWCFA-WPRPVWTQSA-N 0 1 390.860 1.509 20 0 GDADMN CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001573879777 950733499 /nfs/dbraw/zinc/73/34/99/950733499.db2.gz MGHRHDNLUUCFEC-PHIMTYICSA-N 0 1 382.428 1.342 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC001575927123 950735999 /nfs/dbraw/zinc/73/59/99/950735999.db2.gz NRPKOPQTFBLBOU-DOMZBBRYSA-N 0 1 392.467 1.606 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnccn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574763991 950737481 /nfs/dbraw/zinc/73/74/81/950737481.db2.gz OLRRMWIPBXRYDE-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C23CCC3)C1 ZINC001575629565 950738670 /nfs/dbraw/zinc/73/86/70/950738670.db2.gz PLHJGLICJKMQQK-HOTGVXAUSA-N 0 1 381.484 1.959 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575927619 950747741 /nfs/dbraw/zinc/74/77/41/950747741.db2.gz QWPMZZNISOOACJ-MLGOLLRUSA-N 0 1 390.451 1.671 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574521009 950762099 /nfs/dbraw/zinc/76/20/99/950762099.db2.gz CGQVWQBXVHVDMC-OLNSGIQNSA-N 0 1 376.486 1.194 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574521009 950762116 /nfs/dbraw/zinc/76/21/16/950762116.db2.gz CGQVWQBXVHVDMC-OLNSGIQNSA-N 0 1 376.486 1.194 20 0 GDADMN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001573881988 950763748 /nfs/dbraw/zinc/76/37/48/950763748.db2.gz MVCCVDULSYTHJP-UHFFFAOYSA-N 0 1 392.467 1.917 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ccon1 ZINC001574521079 950766214 /nfs/dbraw/zinc/76/62/14/950766214.db2.gz CWSRLKCQNGNLNI-WDEREUQCSA-N 0 1 375.458 1.532 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ccon1 ZINC001574521079 950766224 /nfs/dbraw/zinc/76/62/24/950766224.db2.gz CWSRLKCQNGNLNI-WDEREUQCSA-N 0 1 375.458 1.532 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574764993 950767926 /nfs/dbraw/zinc/76/79/26/950767926.db2.gz BGQPIJOXQVBRBJ-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576221645 950856232 /nfs/dbraw/zinc/85/62/32/950856232.db2.gz VUJZJPRTOVOMQA-ZYHUDNBSSA-N 0 1 379.415 1.624 20 0 GDADMN C[C@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574767640 950859106 /nfs/dbraw/zinc/85/91/06/950859106.db2.gz UFLNVNQIRNXWTO-SNVBAGLBSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1cncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574524496 950863027 /nfs/dbraw/zinc/86/30/27/950863027.db2.gz XKGJURKMUSVXKU-NEPJUHHUSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1cncn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574524496 950863043 /nfs/dbraw/zinc/86/30/43/950863043.db2.gz XKGJURKMUSVXKU-NEPJUHHUSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H]1CN(C(=O)C2(F)CCCCC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576227130 950900575 /nfs/dbraw/zinc/90/05/75/950900575.db2.gz CGNFYIUMWZBKIA-STQMWFEESA-N 0 1 388.451 1.400 20 0 GDADMN CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575640833 950905748 /nfs/dbraw/zinc/90/57/48/950905748.db2.gz LENSGQQFINWDQY-LBPRGKRZSA-N 0 1 376.440 1.518 20 0 GDADMN CC(C)(C)n1cc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)cn1 ZINC001573894450 950926175 /nfs/dbraw/zinc/92/61/75/950926175.db2.gz RYFHFFAESRJBIJ-UHFFFAOYSA-N 0 1 381.444 1.010 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1n[nH]cc1F ZINC001574528132 950929717 /nfs/dbraw/zinc/92/97/17/950929717.db2.gz LLRTUMBWOFGXNJ-RKDXNWHRSA-N 0 1 378.437 1.477 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1n[nH]cc1F ZINC001574528132 950929731 /nfs/dbraw/zinc/92/97/31/950929731.db2.gz LLRTUMBWOFGXNJ-RKDXNWHRSA-N 0 1 378.437 1.477 20 0 GDADMN CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575642003 950932953 /nfs/dbraw/zinc/93/29/53/950932953.db2.gz SLOLSZIGRSPJJJ-BBRMVZONSA-N 0 1 385.472 1.552 20 0 GDADMN CC(C)(CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573895440 950935790 /nfs/dbraw/zinc/93/57/90/950935790.db2.gz AZKYMSFOZBVRKW-GFCCVEGCSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)(CC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573896120 950948059 /nfs/dbraw/zinc/94/80/59/950948059.db2.gz GDXJUWJDNUOIOF-OCCSQVGLSA-N 0 1 384.488 1.602 20 0 GDADMN CCOC(=O)CCCCC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590414038 950950612 /nfs/dbraw/zinc/95/06/12/950950612.db2.gz PSLAXWUVICQVLL-AAEUAGOBSA-N 0 1 382.379 1.706 20 0 GDADMN CCOC(=O)CCCCC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590414038 950950632 /nfs/dbraw/zinc/95/06/32/950950632.db2.gz PSLAXWUVICQVLL-AAEUAGOBSA-N 0 1 382.379 1.706 20 0 GDADMN CC(C)(CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573897796 950966078 /nfs/dbraw/zinc/96/60/78/950966078.db2.gz SPNPQBNUPPRLPU-GFCCVEGCSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)(CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573897796 950966108 /nfs/dbraw/zinc/96/61/08/950966108.db2.gz SPNPQBNUPPRLPU-GFCCVEGCSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1ccc(Cl)cc1F ZINC001575017006 950972381 /nfs/dbraw/zinc/97/23/81/950972381.db2.gz FOBOLOUHJDQKEF-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccncc2-c2nn[nH]n2)nc1 ZINC001575017324 950990382 /nfs/dbraw/zinc/99/03/82/950990382.db2.gz DEZNNUMYENXQRC-ZDUSSCGKSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323486577 951047368 /nfs/dbraw/zinc/04/73/68/951047368.db2.gz BXXNTLDTPCHLIR-MRXNPFEDSA-N 0 1 395.525 1.482 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575020126 951052349 /nfs/dbraw/zinc/05/23/49/951052349.db2.gz YUNTWDFNUYZGOH-VIFPVBQESA-N 0 1 389.370 1.244 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C2CC2)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575023613 951081799 /nfs/dbraw/zinc/08/17/99/951081799.db2.gz PBVAUGVZOJAPRY-LBPRGKRZSA-N 0 1 378.440 1.434 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024289 951098214 /nfs/dbraw/zinc/09/82/14/951098214.db2.gz ZWWRJAABAQIGNE-LLVKDONJSA-N 0 1 379.428 1.184 20 0 GDADMN C[C@H](CNC(=O)c1cccc2n[nH]cc21)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575027988 951164683 /nfs/dbraw/zinc/16/46/83/951164683.db2.gz KJGYHJACQZBDJS-SNVBAGLBSA-N 0 1 382.453 1.713 20 0 GDADMN C[C@H](CNC(=O)c1cccc2n[nH]cc21)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575027988 951164691 /nfs/dbraw/zinc/16/46/91/951164691.db2.gz KJGYHJACQZBDJS-SNVBAGLBSA-N 0 1 382.453 1.713 20 0 GDADMN C[C@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575029412 951186408 /nfs/dbraw/zinc/18/64/08/951186408.db2.gz VEYULLLZKFNKSH-ZDUSSCGKSA-N 0 1 380.456 1.228 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CO1 ZINC001595006847 951210915 /nfs/dbraw/zinc/21/09/15/951210915.db2.gz WEXBJYGBLXHUTB-FGTMMUONSA-N 0 1 376.453 1.139 20 0 GDADMN C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575036671 951296923 /nfs/dbraw/zinc/29/69/23/951296923.db2.gz VOHFTMVGBIZNIC-LBPRGKRZSA-N 0 1 383.460 1.468 20 0 GDADMN COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390459039 951380660 /nfs/dbraw/zinc/38/06/60/951380660.db2.gz BHHMUKNEYKPQAE-FXAWDEMLSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575067740 951620947 /nfs/dbraw/zinc/62/09/47/951620947.db2.gz XMZPIKOXDHELBK-JTQLQIEISA-N 0 1 384.469 1.496 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCOC1 ZINC001575089730 951753286 /nfs/dbraw/zinc/75/32/86/951753286.db2.gz GVXHKAVJPGWHIX-WFASDCNBSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575090946 951765592 /nfs/dbraw/zinc/76/55/92/951765592.db2.gz ONLJZTXLNSKOIH-KBPBESRZSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCn1cccc1 ZINC001575091130 951769714 /nfs/dbraw/zinc/76/97/14/951769714.db2.gz PKZJTTKGLSPCDB-CQSZACIVSA-N 0 1 385.447 1.834 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cncs1 ZINC001575091718 951781981 /nfs/dbraw/zinc/78/19/81/951781981.db2.gz WTRRZYISNZQPFR-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575091929 951787440 /nfs/dbraw/zinc/78/74/40/951787440.db2.gz ZEXMFWPTNHTQCV-BBRMVZONSA-N 0 1 390.463 1.902 20 0 GDADMN O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1=O ZINC001595092229 951788621 /nfs/dbraw/zinc/78/86/21/951788621.db2.gz ZWWJKBRJWWRZOV-DLBZAZTESA-N 0 1 394.516 1.548 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575099834 951839121 /nfs/dbraw/zinc/83/91/21/951839121.db2.gz PDQMMFBAXSFLDE-PXAZEXFGSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575099834 951839125 /nfs/dbraw/zinc/83/91/25/951839125.db2.gz PDQMMFBAXSFLDE-PXAZEXFGSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575100485 951843721 /nfs/dbraw/zinc/84/37/21/951843721.db2.gz SWVHAIYHBCABDX-MRXNPFEDSA-N 0 1 390.448 1.479 20 0 GDADMN C[C@@H](CNCc1nccn1C(F)F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575116730 951971958 /nfs/dbraw/zinc/97/19/58/951971958.db2.gz GWGSWFQGFRQOQN-VIFPVBQESA-N 0 1 379.375 1.037 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575136319 952124723 /nfs/dbraw/zinc/12/47/23/952124723.db2.gz ONNPXOSXWRKUIN-HXYMJUCXSA-N 0 1 382.472 1.212 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575139703 952141218 /nfs/dbraw/zinc/14/12/18/952141218.db2.gz ATAGXEWAMPILOF-INIZCTEOSA-N 0 1 388.819 1.336 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575140722 952143811 /nfs/dbraw/zinc/14/38/11/952143811.db2.gz FUAMLGKDCIKLHH-CYBMUJFWSA-N 0 1 392.467 1.069 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575143644 952155823 /nfs/dbraw/zinc/15/58/23/952155823.db2.gz QHYOXPSINDUSDE-INIZCTEOSA-N 0 1 388.819 1.336 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575144944 952175947 /nfs/dbraw/zinc/17/59/47/952175947.db2.gz ZLPPYFDXUHECMB-MRXNPFEDSA-N 0 1 388.432 1.290 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575145129 952178489 /nfs/dbraw/zinc/17/84/89/952178489.db2.gz QUSQSORTNSWZSP-BBRMVZONSA-N 0 1 383.431 1.523 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cc2c([nH]1)CCC2)C1CC1 ZINC001575145167 952178884 /nfs/dbraw/zinc/17/88/84/952178884.db2.gz RPJLHQZOYIECNX-FQEVSTJZSA-N 0 1 392.467 1.511 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575145510 952185808 /nfs/dbraw/zinc/18/58/08/952185808.db2.gz YVUDNEVNEYPWRC-ZDUSSCGKSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575164544 952295482 /nfs/dbraw/zinc/29/54/82/952295482.db2.gz FJXUSDKXBDYIQW-HXFLIBJXSA-N 0 1 383.865 1.128 20 0 GDADMN C[C@](CNc1ncc(-c2nn[nH]n2)cc1F)(NC(=O)CN1CCCC1)C1CC1 ZINC001575166238 952321993 /nfs/dbraw/zinc/32/19/93/952321993.db2.gz UCEPAOVFSADMJS-GOSISDBHSA-N 0 1 388.451 1.193 20 0 GDADMN C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575190522 952462694 /nfs/dbraw/zinc/46/26/94/952462694.db2.gz TVSYHKABUJIQRG-LBPRGKRZSA-N 0 1 384.419 1.227 20 0 GDADMN CC(C)[C@@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571117994 952485477 /nfs/dbraw/zinc/48/54/77/952485477.db2.gz RRLNCGPLJOFYTM-WBMJQRKESA-N 0 1 375.452 1.605 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1CC(Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200402 952495125 /nfs/dbraw/zinc/49/51/25/952495125.db2.gz JAGJELMUUHVBCK-LKSINWNRSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](Nc1ncccc1-c1nn[nH]n1)C1CC1 ZINC001575201124 952500702 /nfs/dbraw/zinc/50/07/02/952500702.db2.gz NLSIRTFAQIVUEL-XHDPSFHLSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](Nc1ncccc1-c1nn[nH]n1)C1CC1 ZINC001575201121 952501092 /nfs/dbraw/zinc/50/10/92/952501092.db2.gz NLSIRTFAQIVUEL-NHYWBVRUSA-N 0 1 381.444 1.170 20 0 GDADMN O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)c1ccccc1 ZINC001571120466 952503076 /nfs/dbraw/zinc/50/30/76/952503076.db2.gz NFXFXZTWZQMOSX-CQSZACIVSA-N 0 1 376.424 1.446 20 0 GDADMN CS[C@@H](C)C(=O)N1CCC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571120986 952513482 /nfs/dbraw/zinc/51/34/82/952513482.db2.gz TYFRMNGPPNNTOF-STQMWFEESA-N 0 1 375.502 1.688 20 0 GDADMN C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001575203028 952518643 /nfs/dbraw/zinc/51/86/43/952518643.db2.gz YREIEPANLCSFOQ-VHSXEESVSA-N 0 1 389.851 1.434 20 0 GDADMN CO[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCC1 ZINC001571124101 952533701 /nfs/dbraw/zinc/53/37/01/952533701.db2.gz YWFXNWKTEKAZOE-IUODEOHRSA-N 0 1 376.486 1.434 20 0 GDADMN CO[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CCC1 ZINC001571124101 952533707 /nfs/dbraw/zinc/53/37/07/952533707.db2.gz YWFXNWKTEKAZOE-IUODEOHRSA-N 0 1 376.486 1.434 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571124680 952542836 /nfs/dbraw/zinc/54/28/36/952542836.db2.gz RBZWMMSZRAHPNV-GXFFZTMASA-N 0 1 377.399 1.378 20 0 GDADMN Cc1cc(N2CC[C@@](C)(NC(=O)C3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124670 952543275 /nfs/dbraw/zinc/54/32/75/952543275.db2.gz QVNZYBVXWOMFNL-MRXNPFEDSA-N 0 1 377.399 1.700 20 0 GDADMN CC(F)(F)C(=O)N1C[C@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]2C1 ZINC001575212991 952556022 /nfs/dbraw/zinc/55/60/22/952556022.db2.gz PSUIINIADZGDFW-OCCSQVGLSA-N 0 1 394.401 1.941 20 0 GDADMN Cc1cccc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571134029 952585089 /nfs/dbraw/zinc/58/50/89/952585089.db2.gz BSTHEEGWFVFHDK-OKILXGFUSA-N 0 1 378.440 1.316 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134405 952589739 /nfs/dbraw/zinc/58/97/39/952589739.db2.gz FRVUVDBMHCNHJH-GASCZTMLSA-N 0 1 378.440 1.575 20 0 GDADMN CCN(C(=O)c1cncnc1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134889 952596409 /nfs/dbraw/zinc/59/64/09/952596409.db2.gz MUDIJCUCELLWON-QGZVFWFLSA-N 0 1 378.440 1.393 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)c1cccnc1 ZINC001571140032 952623306 /nfs/dbraw/zinc/62/33/06/952623306.db2.gz NPDDGLLXHDXBFY-QLPKVWCKSA-N 0 1 379.399 1.261 20 0 GDADMN O=C(C1CC1)N1CCC[C@H]2[C@H]1CCN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571152049 952681579 /nfs/dbraw/zinc/68/15/79/952681579.db2.gz BSFLTAQEVXQDGV-VHSXEESVSA-N 0 1 379.877 1.956 20 0 GDADMN O=C(CC(F)(F)F)N1C[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571152654 952683341 /nfs/dbraw/zinc/68/33/41/952683341.db2.gz JHVWBFNTHPAKTA-ZIAGYGMSSA-N 0 1 380.374 1.852 20 0 GDADMN C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571155035 952691799 /nfs/dbraw/zinc/69/17/99/952691799.db2.gz FJWRCWRDYJKSJX-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN Cc1cccnc1C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001571158032 952709249 /nfs/dbraw/zinc/70/92/49/952709249.db2.gz QADDNCYIRBRYCK-LBPRGKRZSA-N 0 1 379.428 1.005 20 0 GDADMN Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)o1 ZINC001571159332 952718692 /nfs/dbraw/zinc/71/86/92/952718692.db2.gz USKKEXOBJIOPCE-YHWZYXNKSA-N 0 1 380.412 1.488 20 0 GDADMN O=C(c1ccoc1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571161218 952731048 /nfs/dbraw/zinc/73/10/48/952731048.db2.gz RJZDRARSPFQBBV-JSGCOSHPSA-N 0 1 380.412 1.381 20 0 GDADMN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1(F)CCOCC1 ZINC001571165587 952753442 /nfs/dbraw/zinc/75/34/42/952753442.db2.gz GFHUEHKPTYDZOC-XYPYZODXSA-N 0 1 380.449 1.184 20 0 GDADMN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1(F)CCOCC1 ZINC001571165587 952753447 /nfs/dbraw/zinc/75/34/47/952753447.db2.gz GFHUEHKPTYDZOC-XYPYZODXSA-N 0 1 380.449 1.184 20 0 GDADMN CN1CCN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)c2cc(F)ccc21 ZINC001571167028 952768952 /nfs/dbraw/zinc/76/89/52/952768952.db2.gz TUUSHUGAEOPSFQ-UHFFFAOYSA-N 0 1 380.430 1.712 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571167240 952771639 /nfs/dbraw/zinc/77/16/39/952771639.db2.gz ZMUUXQNTIUDYGT-INIZCTEOSA-N 0 1 380.456 1.648 20 0 GDADMN Cc1c(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ccn1C ZINC001571169666 952777216 /nfs/dbraw/zinc/77/72/16/952777216.db2.gz KAFVNEWPSLIFQG-AWEZNQCLSA-N 0 1 380.456 1.356 20 0 GDADMN Cc1[nH]nc(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1C ZINC001571169718 952777311 /nfs/dbraw/zinc/77/73/11/952777311.db2.gz LEKOPOQSCYNLKO-INIZCTEOSA-N 0 1 380.456 1.601 20 0 GDADMN Cn1cccc1C(=O)N1CCCCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571172367 952807225 /nfs/dbraw/zinc/80/72/25/952807225.db2.gz UCWLWGQRINDBHA-CQSZACIVSA-N 0 1 380.456 1.519 20 0 GDADMN CN(C(=O)c1ncccc1F)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571178674 952844768 /nfs/dbraw/zinc/84/47/68/952844768.db2.gz QVBAOGYSOZVZEQ-HNNXBMFYSA-N 0 1 381.415 1.747 20 0 GDADMN Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)Cc2ccoc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180274 952859504 /nfs/dbraw/zinc/85/95/04/952859504.db2.gz OFECGVOMVLZKNH-ZBFHGGJFSA-N 0 1 381.440 1.525 20 0 GDADMN Cc1ccc([C@H](C)C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571180473 952860359 /nfs/dbraw/zinc/86/03/59/952860359.db2.gz OYPFDGRIPNVEDU-KBPBESRZSA-N 0 1 381.440 1.970 20 0 GDADMN Cc1cc(N2CCCN(C(=O)CCc3ccco3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180895 952861507 /nfs/dbraw/zinc/86/15/07/952861507.db2.gz RBKQBUGYKYPLBJ-UHFFFAOYSA-N 0 1 381.440 1.835 20 0 GDADMN CC(C)c1nocc1C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182827 952869867 /nfs/dbraw/zinc/86/98/67/952869867.db2.gz GZQLJFCXQUFING-UHFFFAOYSA-N 0 1 381.440 1.840 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccoc1 ZINC001571182971 952872177 /nfs/dbraw/zinc/87/21/77/952872177.db2.gz LAFRZVPKCWRAPM-ZFWWWQNUSA-N 0 1 381.440 1.701 20 0 GDADMN CCn1c(C)cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571183860 952884715 /nfs/dbraw/zinc/88/47/15/952884715.db2.gz LCXKEUHVFPKMKB-ZDUSSCGKSA-N 0 1 381.444 1.104 20 0 GDADMN CCn1cccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001571185014 952898622 /nfs/dbraw/zinc/89/86/22/952898622.db2.gz GSFXHGSKYCEWMH-STQMWFEESA-N 0 1 381.444 1.265 20 0 GDADMN O=C(Cc1ccn[nH]1)N1CCC(CCNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571188785 952919754 /nfs/dbraw/zinc/91/97/54/952919754.db2.gz JGGLBOWMRLQTEQ-UHFFFAOYSA-N 0 1 381.444 1.268 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571188832 952920761 /nfs/dbraw/zinc/92/07/61/952920761.db2.gz NMDUOGOSSUQFKN-CYBMUJFWSA-N 0 1 381.444 1.011 20 0 GDADMN O=C(C1=CCOCC1)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571190502 952943278 /nfs/dbraw/zinc/94/32/78/952943278.db2.gz KEWGLXMLKWXKSW-SECBINFHSA-N 0 1 381.849 1.336 20 0 GDADMN O=c1cc(C[N@@H+](CCC(F)(F)F)CC2CC2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001571194304 952960783 /nfs/dbraw/zinc/96/07/83/952960783.db2.gz KCAZTEIIRJFLAI-UHFFFAOYSA-N 0 1 382.350 1.779 20 0 GDADMN Cc1cc(F)cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1 ZINC001571197433 952989434 /nfs/dbraw/zinc/98/94/34/952989434.db2.gz ZVGLYBZJZXANRN-FZMZJTMJSA-N 0 1 382.403 1.241 20 0 GDADMN CCc1nc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)co1 ZINC001571199013 952994981 /nfs/dbraw/zinc/99/49/81/952994981.db2.gz JXLZREHUQZIMGF-WCQYABFASA-N 0 1 382.428 1.197 20 0 GDADMN CCc1cc(C(=O)N[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)CC2)no1 ZINC001571199436 952999625 /nfs/dbraw/zinc/99/96/25/952999625.db2.gz QUVCUCOYJZQXPI-GFCCVEGCSA-N 0 1 382.428 1.601 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H](F)c1ccccc1 ZINC001571199772 953004480 /nfs/dbraw/zinc/00/44/80/953004480.db2.gz BPTISMBDWNPOEI-HIFRSBDPSA-N 0 1 382.403 1.453 20 0 GDADMN Cc1ccc([C@H](C)C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)o1 ZINC001571201025 953013783 /nfs/dbraw/zinc/01/37/83/953013783.db2.gz IENMAXQLKQXWPS-STQMWFEESA-N 0 1 382.428 1.187 20 0 GDADMN Cc1nc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)co1 ZINC001571202733 953027819 /nfs/dbraw/zinc/02/78/19/953027819.db2.gz XNNISHVCTPONGJ-WCQYABFASA-N 0 1 382.428 1.593 20 0 GDADMN O=C(N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)c1cccs1 ZINC001571210338 953071676 /nfs/dbraw/zinc/07/16/76/953071676.db2.gz PFTGZLMSZRDQKZ-SJKOYZFVSA-N 0 1 382.453 1.650 20 0 GDADMN CC1(C(=O)N2CC[C@@]3(C2)CCCN(c2ccnc(-c4nn[nH]n4)n2)C3)CCC1 ZINC001571211792 953081151 /nfs/dbraw/zinc/08/11/51/953081151.db2.gz GSJGSEUYWKVBBT-IBGZPJMESA-N 0 1 382.472 1.666 20 0 GDADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001571212034 953082503 /nfs/dbraw/zinc/08/25/03/953082503.db2.gz HOORRFBIUUGUDH-TUKIKUTGSA-N 0 1 382.472 1.164 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571213684 953096473 /nfs/dbraw/zinc/09/64/73/953096473.db2.gz UIBNPEIVHRXXGB-TVFCKZIOSA-N 0 1 382.468 1.515 20 0 GDADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571216910 953104909 /nfs/dbraw/zinc/10/49/09/953104909.db2.gz BZWUKUCJUOZDQK-RKDXNWHRSA-N 0 1 382.881 1.084 20 0 GDADMN C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571216910 953104910 /nfs/dbraw/zinc/10/49/10/953104910.db2.gz BZWUKUCJUOZDQK-RKDXNWHRSA-N 0 1 382.881 1.084 20 0 GDADMN O=C(N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CCCCC1 ZINC001571218825 953119427 /nfs/dbraw/zinc/11/94/27/953119427.db2.gz RSKUDOFXKAFJJB-KUHUBIRLSA-N 0 1 382.472 1.855 20 0 GDADMN Cc1cc(N2CCC(NC(=O)[C@H]3C[C@]34CCOC4)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232877 953188979 /nfs/dbraw/zinc/18/89/79/953188979.db2.gz LQDCGHCPBQIMHO-BEFAXECRSA-N 0 1 383.456 1.082 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cccnc1 ZINC001571233901 953196858 /nfs/dbraw/zinc/19/68/58/953196858.db2.gz HKHLHSOTFMZLGM-UBHSHLNASA-N 0 1 383.481 1.864 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cccnc1 ZINC001571233901 953196861 /nfs/dbraw/zinc/19/68/61/953196861.db2.gz HKHLHSOTFMZLGM-UBHSHLNASA-N 0 1 383.481 1.864 20 0 GDADMN CCc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571234412 953202256 /nfs/dbraw/zinc/20/22/56/953202256.db2.gz WULACVBXDJMJIM-HDJSIYSDSA-N 0 1 383.481 1.936 20 0 GDADMN CCc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571234412 953202257 /nfs/dbraw/zinc/20/22/57/953202257.db2.gz WULACVBXDJMJIM-HDJSIYSDSA-N 0 1 383.481 1.936 20 0 GDADMN Cc1cc(NC2CCC(NC(=O)c3cncs3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244747 953266358 /nfs/dbraw/zinc/26/63/58/953266358.db2.gz HJQFMBFFTGLXTR-UHFFFAOYSA-N 0 1 384.469 1.602 20 0 GDADMN Cc1cc(C)c(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571245248 953271736 /nfs/dbraw/zinc/27/17/36/953271736.db2.gz QHUKZNYAXYOATB-LBPRGKRZSA-N 0 1 384.469 1.474 20 0 GDADMN CN(C(=O)c1cccnn1)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571245274 953272313 /nfs/dbraw/zinc/27/23/13/953272313.db2.gz RFMWZBOOYUUPGO-UHFFFAOYSA-N 0 1 384.469 1.455 20 0 GDADMN Cc1cc(C)c(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571245821 953277084 /nfs/dbraw/zinc/27/70/84/953277084.db2.gz ZOOOBAIDZLYBDX-LBPRGKRZSA-N 0 1 384.469 1.331 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC001571245763 953277210 /nfs/dbraw/zinc/27/72/10/953277210.db2.gz YTRKQUCRHJNSTP-ZDUSSCGKSA-N 0 1 384.469 1.388 20 0 GDADMN Cc1nc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](C)C2)oc1C ZINC001571247547 953283247 /nfs/dbraw/zinc/28/32/47/953283247.db2.gz ALUUYSYCMBMJAI-QMTHXVAHSA-N 0 1 384.444 1.583 20 0 GDADMN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccnn1 ZINC001571247566 953283445 /nfs/dbraw/zinc/28/34/45/953283445.db2.gz AHNTUPLEEHALJN-CHWSQXEVSA-N 0 1 384.469 1.549 20 0 GDADMN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cccnn1 ZINC001571247566 953283446 /nfs/dbraw/zinc/28/34/46/953283446.db2.gz AHNTUPLEEHALJN-CHWSQXEVSA-N 0 1 384.469 1.549 20 0 GDADMN CO[C@H](C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001571247556 953283655 /nfs/dbraw/zinc/28/36/55/953283655.db2.gz AFNQVWUPXFMEBX-SFHVURJKSA-N 0 1 384.484 1.716 20 0 GDADMN CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571249264 953302709 /nfs/dbraw/zinc/30/27/09/953302709.db2.gz GYZIBBAEEJHAPC-KUHUBIRLSA-N 0 1 384.488 1.766 20 0 GDADMN C[C@@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249462 953305302 /nfs/dbraw/zinc/30/53/02/953305302.db2.gz JIIVSXWVBXYYKO-UKRRQHHQSA-N 0 1 384.488 1.958 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](N(C)C(=O)[C@H]3CCCCN3C)C2)n1 ZINC001571252007 953321825 /nfs/dbraw/zinc/32/18/25/953321825.db2.gz FBFJEFMIUAGSSY-GDBMZVCRSA-N 0 1 384.488 1.092 20 0 GDADMN CN1CCCC[C@H]1C(=O)N1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C(C)(C)C1 ZINC001571252086 953323094 /nfs/dbraw/zinc/32/30/94/953323094.db2.gz GVIVLPAHIDGKCA-JKSUJKDBSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1ccncc1Cl ZINC001571254467 953339228 /nfs/dbraw/zinc/33/92/28/953339228.db2.gz DISPYPHKQXQRGZ-WDEREUQCSA-N 0 1 384.831 1.447 20 0 GDADMN C[N@@H+](CCCC(=O)[O-])CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000430667930 953501338 /nfs/dbraw/zinc/50/13/38/953501338.db2.gz GRJFNEULAFSBQG-UHFFFAOYSA-N 0 1 376.392 1.414 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001589280956 953512230 /nfs/dbraw/zinc/51/22/30/953512230.db2.gz PFJYZTKCXOBBQJ-HUUCEWRRSA-N 0 1 383.489 1.498 20 0 GDADMN CCc1[nH]c(C[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)cc1C(=O)OC ZINC001593625502 953545994 /nfs/dbraw/zinc/54/59/94/953545994.db2.gz BXLPKPQTYOVXOH-MWCFJMDPSA-N 0 1 378.425 1.450 20 0 GDADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](CC(=O)[O-])C1CCC1 ZINC000563421782 953599419 /nfs/dbraw/zinc/59/94/19/953599419.db2.gz SKOKWDSHNGFWDK-UHFFFAOYSA-N 0 1 394.497 1.746 20 0 GDADMN CCc1ccc([C@@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)[NH+](C)C)cc1 ZINC001593636638 953612938 /nfs/dbraw/zinc/61/29/38/953612938.db2.gz GVUGJBQDPMBQSD-QGZVFWFLSA-N 0 1 383.514 1.483 20 0 GDADMN COc1ccc(CN2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000572482339 953669119 /nfs/dbraw/zinc/66/91/19/953669119.db2.gz NTLAVOFLGGDLFT-APWZRJJASA-N 0 1 389.496 1.382 20 0 GDADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000582845065 953725595 /nfs/dbraw/zinc/72/55/95/953725595.db2.gz DCSFNYJLFSJYPF-CHWSQXEVSA-N 0 1 383.470 1.061 20 0 GDADMN C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[C@H]1C(=O)[O-] ZINC000626745853 953799176 /nfs/dbraw/zinc/79/91/76/953799176.db2.gz ZRJZEEVWFNEOQR-BZUAXINKSA-N 0 1 394.541 1.789 20 0 GDADMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000650517123 954026905 /nfs/dbraw/zinc/02/69/05/954026905.db2.gz YNBQXJVYNLRSDE-CQSZACIVSA-N 0 1 382.486 1.602 20 0 GDADMN C[C@H]1C[N@@H+](CCCNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCCO1 ZINC000652094229 954056545 /nfs/dbraw/zinc/05/65/45/954056545.db2.gz AYEBBAKEDHIKSS-JXFKEZNVSA-N 0 1 377.485 1.829 20 0 GDADMN CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])n2C ZINC001593715186 954209831 /nfs/dbraw/zinc/20/98/31/954209831.db2.gz HXNMPDSOGOPQPO-AWEZNQCLSA-N 0 1 383.408 1.166 20 0 GDADMN NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000659753891 954355876 /nfs/dbraw/zinc/35/58/76/954355876.db2.gz LLFAQUBQTXICAC-GOSISDBHSA-N 0 1 397.431 1.852 20 0 GDADMN NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000659753891 954355888 /nfs/dbraw/zinc/35/58/88/954355888.db2.gz LLFAQUBQTXICAC-GOSISDBHSA-N 0 1 397.431 1.852 20 0 GDADMN C[N@@H+](CCCC(=O)[O-])C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001593745865 954382553 /nfs/dbraw/zinc/38/25/53/954382553.db2.gz HKXVRXGZWQLPOC-OAHLLOKOSA-N 0 1 388.386 1.964 20 0 GDADMN CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001593750909 954408328 /nfs/dbraw/zinc/40/83/28/954408328.db2.gz KVYNODZTXPIGKG-DLBZAZTESA-N 0 1 388.468 1.149 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3cc(C(=O)[O-])nn3C)C2)O1 ZINC001589400839 954425275 /nfs/dbraw/zinc/42/52/75/954425275.db2.gz IFYSCJUMWSJIGM-VFNWGFHPSA-N 0 1 398.463 1.624 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)c3cc(C(=O)[O-])nn3C)C2)O1 ZINC001589400839 954425282 /nfs/dbraw/zinc/42/52/82/954425282.db2.gz IFYSCJUMWSJIGM-VFNWGFHPSA-N 0 1 398.463 1.624 20 0 GDADMN C[C@@H]1Oc2ccccc2N(CCC(=O)OCC[N@H+]2CCC[C@@H]2C(=O)[O-])C1=O ZINC001589417230 954563843 /nfs/dbraw/zinc/56/38/43/954563843.db2.gz PETZXESFCIOBGN-DZGCQCFKSA-N 0 1 376.409 1.283 20 0 GDADMN Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cn1 ZINC001593773983 954573388 /nfs/dbraw/zinc/57/33/88/954573388.db2.gz IVKGXCQJWLPMHR-OTWHNJEPSA-N 0 1 382.464 1.666 20 0 GDADMN CN(C(=O)c1ccc(NC(=O)[C@]2(C(=O)[O-])CCCO2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001593779255 954624624 /nfs/dbraw/zinc/62/46/24/954624624.db2.gz KMELRPSNHOQDAX-UZLBHIALSA-N 0 1 389.452 1.425 20 0 GDADMN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001593798217 954829755 /nfs/dbraw/zinc/82/97/55/954829755.db2.gz OLJHKAWAYBGQJD-LSDHHAIUSA-N 0 1 399.513 1.342 20 0 GDADMN COC(=O)C1CC2(C1)C[N@H+](CCS(=O)(=O)c1ccc(F)cc1)C[C@H]2C(=O)[O-] ZINC001593824044 955074168 /nfs/dbraw/zinc/07/41/68/955074168.db2.gz IPKZRDWGLVBARF-KVIBHRHWSA-N 0 1 399.440 1.185 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](CCS(=O)(=O)c1ccc(F)cc1)C[C@H]2C(=O)[O-] ZINC001593824044 955074179 /nfs/dbraw/zinc/07/41/79/955074179.db2.gz IPKZRDWGLVBARF-KVIBHRHWSA-N 0 1 399.440 1.185 20 0 GDADMN O=C([O-])[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)C1 ZINC000819145715 955435357 /nfs/dbraw/zinc/43/53/57/955435357.db2.gz SJDSZKUGLDETHR-KRWDZBQOSA-N 0 1 387.480 1.133 20 0 GDADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCC(=O)N3CCc4ccccc4C3)C2)cn1 ZINC001594535086 955565025 /nfs/dbraw/zinc/56/50/25/955565025.db2.gz IOGAVYKWZXKJJS-RBUKOAKNSA-N 0 1 396.491 1.885 20 0 GDADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](CCC(=O)N3CCOc4ccccc43)C2)cn1 ZINC001594540210 955632555 /nfs/dbraw/zinc/63/25/55/955632555.db2.gz YZSDDOVSRHVWIH-CVEARBPZSA-N 0 1 398.463 1.726 20 0 GDADMN C[C@H](CNC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)[N@@H+](C)C1CC1 ZINC001589052075 955671900 /nfs/dbraw/zinc/67/19/00/955671900.db2.gz OFSOFNPYNQOCFA-XOKHGSTOSA-N 0 1 388.468 1.195 20 0 GDADMN Cn1cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001594543225 955673770 /nfs/dbraw/zinc/67/37/70/955673770.db2.gz TWOVOMLKGLGYMB-CQSZACIVSA-N 0 1 396.447 1.903 20 0 GDADMN COC(=O)c1ccc(F)c(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)c1 ZINC001593880558 955702842 /nfs/dbraw/zinc/70/28/42/955702842.db2.gz JEIAIGVAQPJWKE-SHYRYGCCSA-N 0 1 379.384 1.698 20 0 GDADMN Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000846274540 955705066 /nfs/dbraw/zinc/70/50/66/955705066.db2.gz HALNVXHNDRDEON-GOSISDBHSA-N 0 1 391.493 1.729 20 0 GDADMN Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000846274540 955705073 /nfs/dbraw/zinc/70/50/73/955705073.db2.gz HALNVXHNDRDEON-GOSISDBHSA-N 0 1 391.493 1.729 20 0 GDADMN COC(=O)c1cccc(OCC[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)c1 ZINC001593898370 955846140 /nfs/dbraw/zinc/84/61/40/955846140.db2.gz SPXHFHOBJJWHJD-FXUPRZHBSA-N 0 1 391.420 1.438 20 0 GDADMN CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC001603068816 972138366 /nfs/dbraw/zinc/13/83/66/972138366.db2.gz TYSXGXSEBBSQSC-SJORKVTESA-N 0 1 376.453 1.810 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000874411117 956188201 /nfs/dbraw/zinc/18/82/01/956188201.db2.gz LMFOUYVIKGGTDR-QXAKKESOSA-N 0 1 389.496 1.948 20 0 GDADMN Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000874411117 956188212 /nfs/dbraw/zinc/18/82/12/956188212.db2.gz LMFOUYVIKGGTDR-QXAKKESOSA-N 0 1 389.496 1.948 20 0 GDADMN C[C@@H](c1ccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1)[NH+]1CCOCC1 ZINC001589175203 956492549 /nfs/dbraw/zinc/49/25/49/956492549.db2.gz SHIWKQBCQHTASU-WMLDXEAASA-N 0 1 389.452 1.342 20 0 GDADMN NS(=O)(=O)c1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1Br ZINC001594661511 956540150 /nfs/dbraw/zinc/54/01/50/956540150.db2.gz UWGCBFXKKWWLMB-UHFFFAOYSA-N 0 1 377.260 1.536 20 0 GDADMN COC[C@@]1(C(=O)[O-])CN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC001593979217 956697519 /nfs/dbraw/zinc/69/75/19/956697519.db2.gz SMFPEJNQGYDGOX-HXUWFJFHSA-N 0 1 393.484 1.538 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)C[C@@H]2C(=O)[O-] ZINC000903413861 956838007 /nfs/dbraw/zinc/83/80/07/956838007.db2.gz ASSHTWVAHBADEI-MAJVRLLFSA-N 0 1 396.390 1.879 20 0 GDADMN COCCN(CCC(=O)[O-])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001594002785 956942235 /nfs/dbraw/zinc/94/22/35/956942235.db2.gz RTMBNVVSDKBOLP-GHTZIAJQSA-N 0 1 390.480 1.475 20 0 GDADMN COCC[N@@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C[C@H](O)C(F)(F)F ZINC001594012056 957007975 /nfs/dbraw/zinc/00/79/75/957007975.db2.gz DDHMQYQREKFWRL-AWEZNQCLSA-N 0 1 394.390 1.952 20 0 GDADMN COCC[N@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C[C@H](O)C(F)(F)F ZINC001594012056 957007990 /nfs/dbraw/zinc/00/79/90/957007990.db2.gz DDHMQYQREKFWRL-AWEZNQCLSA-N 0 1 394.390 1.952 20 0 GDADMN O=C([O-])COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000911420933 957066814 /nfs/dbraw/zinc/06/68/14/957066814.db2.gz HBFXFIACIZPARO-UYAOXDASSA-N 0 1 398.459 1.763 20 0 GDADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)[C@H](C)C1 ZINC001118135009 957160686 /nfs/dbraw/zinc/16/06/86/957160686.db2.gz AHCPQJSJWKTKCY-HZPDHXFCSA-N 0 1 385.505 1.304 20 0 GDADMN CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@](COC)(C(=O)[O-])C2)cc1 ZINC001119090435 957183389 /nfs/dbraw/zinc/18/33/89/957183389.db2.gz BDLVSXMHXGMIBI-FQEVSTJZSA-N 0 1 391.468 1.530 20 0 GDADMN C[N@H+]1CCC[C@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)[C@H]1c1cccs1 ZINC001119537361 957188676 /nfs/dbraw/zinc/18/86/76/957188676.db2.gz XJTATDVFTZMSJM-DYVFJYSZSA-N 0 1 389.477 1.807 20 0 GDADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001326216040 957317870 /nfs/dbraw/zinc/31/78/70/957317870.db2.gz FMPUEADLQRRSEO-RDJZCZTQSA-N 0 1 393.528 1.859 20 0 GDADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001326216041 957317889 /nfs/dbraw/zinc/31/78/89/957317889.db2.gz FMPUEADLQRRSEO-WBVHZDCISA-N 0 1 393.528 1.859 20 0 GDADMN O=C([O-])C[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390172025 972268366 /nfs/dbraw/zinc/26/83/66/972268366.db2.gz QAOVZIRKRCKQOP-ZWKOTPCHSA-N 0 1 375.469 1.926 20 0 GDADMN CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001337834409 957844003 /nfs/dbraw/zinc/84/40/03/957844003.db2.gz RUIMHPOHKUHUAQ-HNNXBMFYSA-N 0 1 378.473 1.816 20 0 GDADMN CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001337834409 957844016 /nfs/dbraw/zinc/84/40/16/957844016.db2.gz RUIMHPOHKUHUAQ-HNNXBMFYSA-N 0 1 378.473 1.816 20 0 GDADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001339153363 957856833 /nfs/dbraw/zinc/85/68/33/957856833.db2.gz XVVFEBZSXZXRPN-QGZVFWFLSA-N 0 1 383.448 1.527 20 0 GDADMN CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)N1CC[NH+](C)CC1 ZINC001341226645 957948981 /nfs/dbraw/zinc/94/89/81/957948981.db2.gz SUUDEPMCVWRXMY-QYZOEREBSA-N 0 1 388.512 1.871 20 0 GDADMN CC[C@@H](CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001341310963 957964360 /nfs/dbraw/zinc/96/43/60/957964360.db2.gz XGVSHDCBUHHMOB-FUHWJXTLSA-N 0 1 376.501 1.775 20 0 GDADMN CC[C@@H](CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001341310963 957964373 /nfs/dbraw/zinc/96/43/73/957964373.db2.gz XGVSHDCBUHHMOB-FUHWJXTLSA-N 0 1 376.501 1.775 20 0 GDADMN COc1cc(NC(=O)C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(OC)cc1Cl ZINC001594063107 958114301 /nfs/dbraw/zinc/11/43/01/958114301.db2.gz WDISCZILGMDQTL-BTDLBPIBSA-N 0 1 384.816 1.329 20 0 GDADMN CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](CC2(O)CCC(C(=O)[O-])CC2)C1 ZINC001573437557 958821897 /nfs/dbraw/zinc/82/18/97/958821897.db2.gz UFJVXLGEEAJLGB-WHDUELSGSA-N 0 1 386.489 1.344 20 0 GDADMN CC(C)OCc1ccc(CNC(=O)C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1 ZINC001573549712 959228713 /nfs/dbraw/zinc/22/87/13/959228713.db2.gz NQRWGJLIJVAAAS-PXNSSMCTSA-N 0 1 376.453 1.261 20 0 GDADMN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cnn1C ZINC001594261589 959697429 /nfs/dbraw/zinc/69/74/29/959697429.db2.gz INIXZYDDJGVKAB-HOCLYGCPSA-N 0 1 396.488 1.197 20 0 GDADMN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]2CCO[C@H](C(=O)[O-])C2)cnn1C ZINC001594261589 959697438 /nfs/dbraw/zinc/69/74/38/959697438.db2.gz INIXZYDDJGVKAB-HOCLYGCPSA-N 0 1 396.488 1.197 20 0 GDADMN CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588665504 960446790 /nfs/dbraw/zinc/44/67/90/960446790.db2.gz LMDGYPOXXYARIU-ZDUSSCGKSA-N 0 1 387.502 1.388 20 0 GDADMN O=C([O-])[C@@H]1CC[C@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC001261458935 960732305 /nfs/dbraw/zinc/73/23/05/960732305.db2.gz QZVHTZUPACZIPJ-MSOLQXFVSA-N 0 1 390.484 1.569 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]([C@@H]3CCN(CC(=O)[O-])C3=O)C2)C1 ZINC001588692243 960733508 /nfs/dbraw/zinc/73/35/08/960733508.db2.gz ZXYVELYTFOBYEP-KUHUBIRLSA-N 0 1 381.473 1.395 20 0 GDADMN CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001261520696 960745878 /nfs/dbraw/zinc/74/58/78/960745878.db2.gz COFYNTCUKIJNPO-CVEARBPZSA-N 0 1 388.424 1.256 20 0 GDADMN CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001261520696 960745892 /nfs/dbraw/zinc/74/58/92/960745892.db2.gz COFYNTCUKIJNPO-CVEARBPZSA-N 0 1 388.424 1.256 20 0 GDADMN CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC001588699677 960797558 /nfs/dbraw/zinc/79/75/58/960797558.db2.gz QNTIKTITYKVWLS-YJYMSZOUSA-N 0 1 399.488 1.066 20 0 GDADMN CC(C)(C)OC(=O)NC1(CC[NH2+]C2CCN(CC(=O)[O-])CC2)CCOCC1 ZINC001588707796 960881127 /nfs/dbraw/zinc/88/11/27/960881127.db2.gz KDZHYXCPVAUAQH-UHFFFAOYSA-N 0 1 385.505 1.589 20 0 GDADMN Cc1cc(NC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)cc(C)[nH+]1 ZINC001574337688 960908648 /nfs/dbraw/zinc/90/86/48/960908648.db2.gz DRIRDVRAXFUOCZ-SFHVURJKSA-N 0 1 379.413 1.150 20 0 GDADMN Cc1cc(F)c(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)cc1C(=O)[O-] ZINC001320307453 960975670 /nfs/dbraw/zinc/97/56/70/960975670.db2.gz YOFHBYSJEUVTMJ-UHFFFAOYSA-N 0 1 387.477 1.138 20 0 GDADMN Cc1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001574374388 961080810 /nfs/dbraw/zinc/08/08/10/961080810.db2.gz RSOYTFAASUBYIW-MRXNPFEDSA-N 0 1 388.424 1.587 20 0 GDADMN O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC001328445380 961206451 /nfs/dbraw/zinc/20/64/51/961206451.db2.gz QGSOKFFXPVTCDL-XLAORIBOSA-N 0 1 385.464 1.056 20 0 GDADMN CC(C)N1CC[NH+](CCCC(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)CC1 ZINC001332165847 961500180 /nfs/dbraw/zinc/50/01/80/961500180.db2.gz PBUZTYYXYUAQCG-UHFFFAOYSA-N 0 1 387.484 1.866 20 0 GDADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)C2)cn1 ZINC001574455036 961503231 /nfs/dbraw/zinc/50/32/31/961503231.db2.gz UZZRPNGNECZVRP-IIDMSEBBSA-N 0 1 389.500 1.637 20 0 GDADMN C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)CC1 ZINC001332671690 961634053 /nfs/dbraw/zinc/63/40/53/961634053.db2.gz QQYQCPGVMNVSOY-HNNXBMFYSA-N 0 1 398.463 1.896 20 0 GDADMN CC(C)N1CC[NH+](CCCC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001333335411 961687562 /nfs/dbraw/zinc/68/75/62/961687562.db2.gz SLBOEEVVZWHEHT-SFHVURJKSA-N 0 1 379.476 1.916 20 0 GDADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000262472450 961740184 /nfs/dbraw/zinc/74/01/84/961740184.db2.gz GYGDTCNPKWXFDQ-SNRMKQJTSA-N 0 1 399.491 1.913 20 0 GDADMN O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001574521361 961854613 /nfs/dbraw/zinc/85/46/13/961854613.db2.gz IQZIVVSYWGQZSX-DLBZAZTESA-N 0 1 389.452 1.074 20 0 GDADMN O=C([O-])c1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC001335837782 961942095 /nfs/dbraw/zinc/94/20/95/961942095.db2.gz NAJUEPMCTYXZOX-CYBMUJFWSA-N 0 1 388.873 1.258 20 0 GDADMN Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cn1 ZINC001336242426 961956376 /nfs/dbraw/zinc/95/63/76/961956376.db2.gz FFSQUMAFRHVQKQ-SZMVWBNQSA-N 0 1 376.501 1.853 20 0 GDADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCN(C4CCOCC4)C3=O)o2)C1 ZINC001574651945 962444046 /nfs/dbraw/zinc/44/40/46/962444046.db2.gz OWMOTJNMTMIIIX-RHSMWYFYSA-N 0 1 391.468 1.450 20 0 GDADMN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001352081762 962626725 /nfs/dbraw/zinc/62/67/25/962626725.db2.gz QZYRBQDBTYZNDM-DYVFJYSZSA-N 0 1 399.488 1.170 20 0 GDADMN COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000284139343 962877448 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CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821266316 606146092 /nfs/dbraw/zinc/14/60/92/606146092.db2.gz BBZOGFXMRACYHG-LLVKDONJSA-N 0 1 384.893 1.625 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821266316 606146094 /nfs/dbraw/zinc/14/60/94/606146094.db2.gz BBZOGFXMRACYHG-LLVKDONJSA-N 0 1 384.893 1.625 20 0 GDADMN O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572083 606147111 /nfs/dbraw/zinc/14/71/11/606147111.db2.gz BDYBTNSFPFBIGB-UHFFFAOYSA-N 0 1 391.501 1.337 20 0 GDADMN O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572083 606147113 /nfs/dbraw/zinc/14/71/13/606147113.db2.gz BDYBTNSFPFBIGB-UHFFFAOYSA-N 0 1 391.501 1.337 20 0 GDADMN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823333135 606154101 /nfs/dbraw/zinc/15/41/01/606154101.db2.gz YHRSTVHOSOPQCX-GFCCVEGCSA-N 0 1 375.408 1.192 20 0 GDADMN CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)CC1 ZINC000820723099 606154797 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0 1 395.423 1.809 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCCNCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820703590 606309289 /nfs/dbraw/zinc/30/92/89/606309289.db2.gz IDGXALQAKAPQMK-PBHICJAKSA-N 0 1 393.513 1.825 20 0 GDADMN COCc1cccc(CNCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821695654 606309640 /nfs/dbraw/zinc/30/96/40/606309640.db2.gz BPBYAVCAJJQQFJ-UHFFFAOYSA-N 0 1 387.465 1.577 20 0 GDADMN CCC[C@H](NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)c1nn[nH]n1 ZINC000821021739 606340873 /nfs/dbraw/zinc/34/08/73/606340873.db2.gz ONQXOKNTMWCGPG-AWEZNQCLSA-N 0 1 385.432 1.587 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821575730 606462061 /nfs/dbraw/zinc/46/20/61/606462061.db2.gz NHKHVHRZGYDGHF-GFCCVEGCSA-N 0 1 378.868 1.270 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821575730 606462062 /nfs/dbraw/zinc/46/20/62/606462062.db2.gz NHKHVHRZGYDGHF-GFCCVEGCSA-N 0 1 378.868 1.270 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821575730 606462063 /nfs/dbraw/zinc/46/20/63/606462063.db2.gz NHKHVHRZGYDGHF-GFCCVEGCSA-N 0 1 378.868 1.270 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821575730 606462065 /nfs/dbraw/zinc/46/20/65/606462065.db2.gz NHKHVHRZGYDGHF-GFCCVEGCSA-N 0 1 378.868 1.270 20 0 GDADMN CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1F ZINC000530157932 649967100 /nfs/dbraw/zinc/96/71/00/649967100.db2.gz XROPZSICXDQPJY-UHFFFAOYSA-N 0 1 386.430 1.665 20 0 GDADMN CC(C)CN1CCO[C@@H](CNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820092163 606662653 /nfs/dbraw/zinc/66/26/53/606662653.db2.gz IDRWWJHFHCDMJV-LBPRGKRZSA-N 0 1 380.399 1.232 20 0 GDADMN C[C@@]1(CNC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCO1 ZINC000820612894 606673384 /nfs/dbraw/zinc/67/33/84/606673384.db2.gz MTNBNGLYXRGTTK-FQEVSTJZSA-N 0 1 399.499 1.653 20 0 GDADMN CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000820981039 606700387 /nfs/dbraw/zinc/70/03/87/606700387.db2.gz OGDNHELWJVGKIS-OLZOCXBDSA-N 0 1 389.508 1.216 20 0 GDADMN CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000820981039 606700388 /nfs/dbraw/zinc/70/03/88/606700388.db2.gz OGDNHELWJVGKIS-OLZOCXBDSA-N 0 1 389.508 1.216 20 0 GDADMN CC(C)N(C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000819854016 606701836 /nfs/dbraw/zinc/70/18/36/606701836.db2.gz AEWOAYXWJRBMKH-LBPRGKRZSA-N 0 1 377.497 1.070 20 0 GDADMN CC(C)N(C(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000819854016 606701838 /nfs/dbraw/zinc/70/18/38/606701838.db2.gz AEWOAYXWJRBMKH-LBPRGKRZSA-N 0 1 377.497 1.070 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc(-c2ccsc2)no1 ZINC000821601701 606702195 /nfs/dbraw/zinc/70/21/95/606702195.db2.gz VPXFDJMHTAGYLY-UHFFFAOYSA-N 0 1 386.445 1.348 20 0 GDADMN Cc1csc(N2CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)n1 ZINC000822414828 606859671 /nfs/dbraw/zinc/85/96/71/606859671.db2.gz WEEWYVABETZHQK-CJNGLKHVSA-N 0 1 385.497 1.876 20 0 GDADMN O=S(=O)([N-][C@H]1CC[N@H+]2CCCC[C@H]12)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572534 606887869 /nfs/dbraw/zinc/88/78/69/606887869.db2.gz IRDOUHJLZRUTTQ-QWHCGFSZSA-N 0 1 384.412 1.050 20 0 GDADMN C[N@@H+](CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC000821602763 606890453 /nfs/dbraw/zinc/89/04/53/606890453.db2.gz SREQWDOPPYWBTO-UHFFFAOYSA-N 0 1 386.428 1.298 20 0 GDADMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCN1C ZINC000820656462 606891530 /nfs/dbraw/zinc/89/15/30/606891530.db2.gz FKOSYSNTIJGTET-KOLCDFICSA-N 0 1 386.428 1.248 20 0 GDADMN CCc1nc([C@H]2CN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3OC)CCO2)n[nH]1 ZINC000821505951 607066296 /nfs/dbraw/zinc/06/62/96/607066296.db2.gz VACRWPYXMCIGIK-CYBMUJFWSA-N 0 1 399.415 1.161 20 0 GDADMN C[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1n1ccnc1 ZINC000820722118 607097851 /nfs/dbraw/zinc/09/78/51/607097851.db2.gz FXAZBDZBZNEFNC-FHLIZLRMSA-N 0 1 392.467 1.752 20 0 GDADMN Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)oc1C 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GKRQTYFKFLCPCC-UHFFFAOYSA-N 0 1 376.808 1.785 20 0 GDADMN CC1CC[NH+](Cc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)CC1 ZINC000820721739 607207944 /nfs/dbraw/zinc/20/79/44/607207944.db2.gz AHJLDXPQHVVDLR-UHFFFAOYSA-N 0 1 381.444 1.329 20 0 GDADMN CC[C@@H](C)[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc2ccccc2[nH]1 ZINC000820859475 607209022 /nfs/dbraw/zinc/20/90/22/607209022.db2.gz DZABNUGTAGSSJY-YGRLFVJLSA-N 0 1 380.416 1.238 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000823127104 607210843 /nfs/dbraw/zinc/21/08/43/607210843.db2.gz SYPYMONCJJETCW-UHFFFAOYSA-N 0 1 384.419 1.616 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](COc1ccccc1)c1ccccc1 ZINC000823127177 607215574 /nfs/dbraw/zinc/21/55/74/607215574.db2.gz VYURSBMUPRDLGV-MRXNPFEDSA-N 0 1 390.407 1.395 20 0 GDADMN Cc1ccc(COc2cccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)cc1 ZINC000822238886 607216023 /nfs/dbraw/zinc/21/60/23/607216023.db2.gz YPKZTQANJYQMNS-UHFFFAOYSA-N 0 1 390.407 1.984 20 0 GDADMN CC1CCC(Oc2cc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccn2)CC1 ZINC000820691490 607216516 /nfs/dbraw/zinc/21/65/16/607216516.db2.gz XRSUIUQTAHLXQK-UHFFFAOYSA-N 0 1 397.443 1.127 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000823126019 607219009 /nfs/dbraw/zinc/21/90/09/607219009.db2.gz FMPNSSQAHZWQEL-INIZCTEOSA-N 0 1 392.398 1.698 20 0 GDADMN O=C(C[C@@H]1CCCCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000822941541 607221784 /nfs/dbraw/zinc/22/17/84/607221784.db2.gz YUXXXDQADMPTBQ-HNNXBMFYSA-N 0 1 394.439 1.502 20 0 GDADMN Cc1cccc(C)c1OC[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC000822294134 607223242 /nfs/dbraw/zinc/22/32/42/607223242.db2.gz SFMNJILLPPCYMC-AWEZNQCLSA-N 0 1 398.471 1.685 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1-c1nn[n-]n1 ZINC000826229537 607781752 /nfs/dbraw/zinc/78/17/52/607781752.db2.gz IGVNJIQELCGWHU-LLVKDONJSA-N 0 1 391.501 1.539 20 0 GDADMN COCc1ccc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826164720 607815356 /nfs/dbraw/zinc/81/53/56/607815356.db2.gz MMWMGSZGXIVGEZ-UHFFFAOYSA-N 0 1 387.465 1.577 20 0 GDADMN CCN1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H]1C ZINC000825458694 607831677 /nfs/dbraw/zinc/83/16/77/607831677.db2.gz DIUFYSPHJWVHKH-NEPJUHHUSA-N 0 1 389.529 1.770 20 0 GDADMN Cc1ccc([C@@H](OC[C@H](O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccc2)cc1 ZINC000826284543 607869155 /nfs/dbraw/zinc/86/91/55/607869155.db2.gz XAKGSKHJWXKUQT-MSOLQXFVSA-N 0 1 391.435 1.934 20 0 GDADMN CCSc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)ccn1 ZINC000825674072 608019287 /nfs/dbraw/zinc/01/92/87/608019287.db2.gz HOCXWDNQSXCAKC-UHFFFAOYSA-N 0 1 387.473 1.501 20 0 GDADMN CCSc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)ccn1 ZINC000825674072 608019288 /nfs/dbraw/zinc/01/92/88/608019288.db2.gz HOCXWDNQSXCAKC-UHFFFAOYSA-N 0 1 387.473 1.501 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826077436 608020621 /nfs/dbraw/zinc/02/06/21/608020621.db2.gz ICDCHTVDWJKVJX-GFCCVEGCSA-N 0 1 396.455 1.589 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826077436 608020622 /nfs/dbraw/zinc/02/06/22/608020622.db2.gz ICDCHTVDWJKVJX-GFCCVEGCSA-N 0 1 396.455 1.589 20 0 GDADMN C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824915545 608033650 /nfs/dbraw/zinc/03/36/50/608033650.db2.gz GEGSXSBAFRKPJE-OTTFEQOBSA-N 0 1 389.508 1.120 20 0 GDADMN C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824915545 608033651 /nfs/dbraw/zinc/03/36/51/608033651.db2.gz GEGSXSBAFRKPJE-OTTFEQOBSA-N 0 1 389.508 1.120 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000825935266 608037448 /nfs/dbraw/zinc/03/74/48/608037448.db2.gz YFYZYYBANFBQLT-UHFFFAOYSA-N 0 1 396.434 1.561 20 0 GDADMN O=C(CN1CCC2(CCOC2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826410132 608042284 /nfs/dbraw/zinc/04/22/84/608042284.db2.gz CYMIWSGDTOCABH-UHFFFAOYSA-N 0 1 376.848 1.961 20 0 GDADMN Cc1nc([C@H]2CN(c3ccc(-c4nn[nH]n4)cc3Br)CCO2)n[nH]1 ZINC000826322240 608050999 /nfs/dbraw/zinc/05/09/99/608050999.db2.gz DNAMFTIKZGQUJB-GFCCVEGCSA-N 0 1 391.233 1.634 20 0 GDADMN Cc1cc(C[C@H](C)NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC000826266481 608065762 /nfs/dbraw/zinc/06/57/62/608065762.db2.gz PUMXCVLXHXSTTQ-YVEFUNNKSA-N 0 1 396.455 1.612 20 0 GDADMN O=C(c1cccc2c[nH]nc21)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826474660 608083065 /nfs/dbraw/zinc/08/30/65/608083065.db2.gz ZFLKDYNLFKXBHN-INIZCTEOSA-N 0 1 375.392 1.957 20 0 GDADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC000825739747 608107481 /nfs/dbraw/zinc/10/74/81/608107481.db2.gz IRMPILZMBNWHMI-ZETCQYMHSA-N 0 1 389.807 1.017 20 0 GDADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826357994 608109197 /nfs/dbraw/zinc/10/91/97/608109197.db2.gz ZMFGYKOEASGRPX-AWEZNQCLSA-N 0 1 389.423 1.968 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c1-c1nnn[n-]1 ZINC000826077793 608113984 /nfs/dbraw/zinc/11/39/84/608113984.db2.gz WFKQZESVQXWQER-SECBINFHSA-N 0 1 386.464 1.214 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c1-c1nn[n-]n1 ZINC000826077793 608113985 /nfs/dbraw/zinc/11/39/85/608113985.db2.gz WFKQZESVQXWQER-SECBINFHSA-N 0 1 386.464 1.214 20 0 GDADMN Cc1oc(NC(=O)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(-c2nn[nH]n2)c1C ZINC000826341330 608169864 /nfs/dbraw/zinc/16/98/64/608169864.db2.gz DDSJGHDMWUCBHK-STQMWFEESA-N 0 1 387.444 1.006 20 0 GDADMN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824907804 608180200 /nfs/dbraw/zinc/18/02/00/608180200.db2.gz KUBISQAQFKGGQZ-VXGBXAGGSA-N 0 1 396.952 1.971 20 0 GDADMN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824907804 608180203 /nfs/dbraw/zinc/18/02/03/608180203.db2.gz KUBISQAQFKGGQZ-VXGBXAGGSA-N 0 1 396.952 1.971 20 0 GDADMN Cn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000826356183 608184488 /nfs/dbraw/zinc/18/44/88/608184488.db2.gz FMOPHFLEGCFJCM-ZCFIWIBFSA-N 0 1 383.894 1.723 20 0 GDADMN Cn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000826356183 608184489 /nfs/dbraw/zinc/18/44/89/608184489.db2.gz FMOPHFLEGCFJCM-ZCFIWIBFSA-N 0 1 383.894 1.723 20 0 GDADMN CN(C)C1CN(C(=O)c2cccc(COc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825856300 608209617 /nfs/dbraw/zinc/20/96/17/608209617.db2.gz STFUSKNRUIUVGB-UHFFFAOYSA-N 0 1 378.436 1.832 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826332098 608312948 /nfs/dbraw/zinc/31/29/48/608312948.db2.gz JRRJHFZHEMTPSU-TZMCWYRMSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826332098 608312950 /nfs/dbraw/zinc/31/29/50/608312950.db2.gz JRRJHFZHEMTPSU-TZMCWYRMSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826332098 608312952 /nfs/dbraw/zinc/31/29/52/608312952.db2.gz JRRJHFZHEMTPSU-TZMCWYRMSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826332098 608312953 /nfs/dbraw/zinc/31/29/53/608312953.db2.gz JRRJHFZHEMTPSU-TZMCWYRMSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c(C)nn1 ZINC000826258741 608424847 /nfs/dbraw/zinc/42/48/47/608424847.db2.gz UUVKGZUGXXNBJF-UHFFFAOYSA-N 0 1 395.427 1.101 20 0 GDADMN CC(=O)Nc1ccc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000823999433 608508180 /nfs/dbraw/zinc/50/81/80/608508180.db2.gz ADUVHPFJTPKOBU-UHFFFAOYSA-N 0 1 378.440 1.542 20 0 GDADMN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824936292 608530338 /nfs/dbraw/zinc/53/03/38/608530338.db2.gz FLQJZLPVZUGLQG-XJKSGUPXSA-N 0 1 397.483 1.850 20 0 GDADMN C[C@@H]([NH2+]CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CCOCC1 ZINC000824562853 608537532 /nfs/dbraw/zinc/53/75/32/608537532.db2.gz KDUIAIKEAUDBBB-CYBMUJFWSA-N 0 1 396.455 1.396 20 0 GDADMN C[C@@H]([NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CCOCC1 ZINC000824562853 608537534 /nfs/dbraw/zinc/53/75/34/608537534.db2.gz KDUIAIKEAUDBBB-CYBMUJFWSA-N 0 1 396.455 1.396 20 0 GDADMN Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)cn1 ZINC000826358814 608659785 /nfs/dbraw/zinc/65/97/85/608659785.db2.gz JSDGDFDIXADXAQ-UHFFFAOYSA-N 0 1 386.485 1.304 20 0 GDADMN Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(-c4nn[n-]n4)s3)CC2)cn1 ZINC000826358814 608659790 /nfs/dbraw/zinc/65/97/90/608659790.db2.gz JSDGDFDIXADXAQ-UHFFFAOYSA-N 0 1 386.485 1.304 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824893768 608761413 /nfs/dbraw/zinc/76/14/13/608761413.db2.gz UMYZTEYLSSVUJV-CRAIPNDOSA-N 0 1 399.499 1.652 20 0 GDADMN CN(C)c1ncc(CN(C)CCC(=O)Nc2sccc2-c2nn[nH]n2)cn1 ZINC000825914451 609140248 /nfs/dbraw/zinc/14/02/48/609140248.db2.gz GAGRWOIIMFZRIU-UHFFFAOYSA-N 0 1 387.473 1.245 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NN2CCc3ccccc3C2=O)cc1-c1nn[nH]n1 ZINC000826229375 609166465 /nfs/dbraw/zinc/16/64/65/609166465.db2.gz BNLZNCNKWFLANW-UHFFFAOYSA-N 0 1 397.420 1.033 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC2(C)CC[NH+](C)CC2)cc1-c1nn[n-]n1 ZINC000826229890 609172125 /nfs/dbraw/zinc/17/21/25/609172125.db2.gz VTOFFJGKBFUSLN-UHFFFAOYSA-N 0 1 377.474 1.151 20 0 GDADMN CCS(=O)(=O)c1ccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000825668648 609187864 /nfs/dbraw/zinc/18/78/64/609187864.db2.gz HYJRGTYNNLLCOZ-UHFFFAOYSA-N 0 1 397.464 1.598 20 0 GDADMN Cn1cc(CNCC(=O)NC2CCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361317 609339163 /nfs/dbraw/zinc/33/91/63/609339163.db2.gz SMLJFCPBMPOIOL-UHFFFAOYSA-N 0 1 380.456 1.416 20 0 GDADMN CCS(=O)(=O)C[C@@H](C)NCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825659140 609339353 /nfs/dbraw/zinc/33/93/53/609339353.db2.gz OVYRPDYJWVZDBB-GFCCVEGCSA-N 0 1 389.485 1.180 20 0 GDADMN CN(CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H]1CCCC[C@@H]1O ZINC000825892106 609375784 /nfs/dbraw/zinc/37/57/84/609375784.db2.gz GEKQLAQXEJAHAA-ABAIWWIYSA-N 0 1 378.864 1.942 20 0 GDADMN COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826188813 609468841 /nfs/dbraw/zinc/46/88/41/609468841.db2.gz HKGXIXUSCCUGHL-SFHVURJKSA-N 0 1 393.451 1.837 20 0 GDADMN Cc1nc(C(=O)N2C[C@H](C)S[C@@H](C)C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000530859757 649982764 /nfs/dbraw/zinc/98/27/64/649982764.db2.gz JGRFYPNGTCDZBS-BQBZGAKWSA-N 0 1 375.380 1.679 20 0 GDADMN COCCOc1ccc(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)cc1C ZINC000530890728 649983500 /nfs/dbraw/zinc/98/35/00/649983500.db2.gz KMSBEWQMBRHCBB-QGZVFWFLSA-N 0 1 388.555 1.736 20 0 GDADMN CN(C)CCCN(C(=O)CSc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000532081358 650004424 /nfs/dbraw/zinc/00/44/24/650004424.db2.gz ZYJDOZSBNUTSKN-OAHLLOKOSA-N 0 1 388.530 1.885 20 0 GDADMN Cc1cc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)[nH]c(=O)n1 ZINC000532156096 650016752 /nfs/dbraw/zinc/01/67/52/650016752.db2.gz MVSAZMJALYEUHB-UHFFFAOYSA-N 0 1 389.213 1.968 20 0 GDADMN Cc1cc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)[nH]c(=O)n1 ZINC000532156096 650016753 /nfs/dbraw/zinc/01/67/53/650016753.db2.gz MVSAZMJALYEUHB-UHFFFAOYSA-N 0 1 389.213 1.968 20 0 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Cc1csc(CNC[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001571272053 945654149 /nfs/dbraw/zinc/65/41/49/945654149.db2.gz NSPKVUCOYSZCAB-LBPRGKRZSA-N 0 1 386.485 1.744 20 0 GDADMN CCc1nc[nH]c1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272533 945665893 /nfs/dbraw/zinc/66/58/93/945665893.db2.gz VRZQSICGGLJDLV-UHFFFAOYSA-N 0 1 386.485 1.512 20 0 GDADMN CCc1nc[nH]c1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272533 945665898 /nfs/dbraw/zinc/66/58/98/945665898.db2.gz VRZQSICGGLJDLV-UHFFFAOYSA-N 0 1 386.485 1.512 20 0 GDADMN C[C@@H]1C[C@@H](NCc2ccncc2Cl)CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571275294 945705380 /nfs/dbraw/zinc/70/53/80/945705380.db2.gz RVODSUHLTFEQSZ-ZWNOBZJWSA-N 0 1 386.847 1.636 20 0 GDADMN O=C(CN1CCCC1)N[C@@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571281403 945804650 /nfs/dbraw/zinc/80/46/50/945804650.db2.gz HYKBRKLOMYJFAC-ZIAGYGMSSA-N 0 1 387.463 1.941 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)o1 ZINC001571281618 945806158 /nfs/dbraw/zinc/80/61/58/945806158.db2.gz KDFDOYGYNISITO-GFCCVEGCSA-N 0 1 387.469 1.880 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)o1 ZINC001571281618 945806171 /nfs/dbraw/zinc/80/61/71/945806171.db2.gz KDFDOYGYNISITO-GFCCVEGCSA-N 0 1 387.469 1.880 20 0 GDADMN CN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282968 945869576 /nfs/dbraw/zinc/86/95/76/945869576.db2.gz WUCBZNJGZWHJGC-DVOMOZLQSA-N 0 1 387.463 1.797 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571283075 945871998 /nfs/dbraw/zinc/87/19/98/945871998.db2.gz YVEBBUPIJWYMFO-KGLIPLIRSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571283075 945872021 /nfs/dbraw/zinc/87/20/21/945872021.db2.gz YVEBBUPIJWYMFO-KGLIPLIRSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571283075 945872040 /nfs/dbraw/zinc/87/20/40/945872040.db2.gz YVEBBUPIJWYMFO-KGLIPLIRSA-N 0 1 387.463 1.751 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)[C@H]1CC[C@@H](F)C1 ZINC001571286323 945944182 /nfs/dbraw/zinc/94/41/82/945944182.db2.gz DOYKTTAPVIKLNS-QKNJOQAUSA-N 0 1 388.422 1.690 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)Nc2c[nH]nc2-c2nn[nH]n2)C1 ZINC001571286332 945945589 /nfs/dbraw/zinc/94/55/89/945945589.db2.gz FCFYJJSPQKYTCM-BMLIUANNSA-N 0 1 388.432 1.566 20 0 GDADMN C[C@@H]1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)CN1C(=O)c1cnsn1 ZINC001571286874 945959654 /nfs/dbraw/zinc/95/96/54/945959654.db2.gz UHJOBSOKGSVCNW-SKDRFNHKSA-N 0 1 388.432 1.250 20 0 GDADMN O=C(NC[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1)C1CCC1 ZINC001571287788 945977133 /nfs/dbraw/zinc/97/71/33/945977133.db2.gz IATDJGKJSXRZQH-INIZCTEOSA-N 0 1 388.447 1.513 20 0 GDADMN CN(C(=O)C[C@H]1CCCO1)[C@@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571288361 945985511 /nfs/dbraw/zinc/98/55/11/945985511.db2.gz OQWDJJZWJWGUPZ-HUUCEWRRSA-N 0 1 388.447 1.608 20 0 GDADMN Cc1ccoc1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571290202 946031574 /nfs/dbraw/zinc/03/15/74/946031574.db2.gz XNWBMOCOBAXLPN-LBPRGKRZSA-N 0 1 388.453 1.460 20 0 GDADMN Cc1ccoc1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571290202 946031585 /nfs/dbraw/zinc/03/15/85/946031585.db2.gz XNWBMOCOBAXLPN-LBPRGKRZSA-N 0 1 388.453 1.460 20 0 GDADMN Cc1ccc2nc(CNC(=O)C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)[nH]c2c1 ZINC000822270872 946039553 /nfs/dbraw/zinc/03/95/53/946039553.db2.gz BBXSUMXEPJGRBG-UHFFFAOYSA-N 0 1 390.407 1.615 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290542 946048496 /nfs/dbraw/zinc/04/84/96/946048496.db2.gz IKVSDDFTOMPLBC-NXEZZACHSA-N 0 1 388.819 1.478 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1NC(=O)N[C@@H](CCSC)c1nn[nH]n1 ZINC001571295883 946176151 /nfs/dbraw/zinc/17/61/51/946176151.db2.gz INTVDYICIHWWOP-JTQLQIEISA-N 0 1 390.433 1.004 20 0 GDADMN CC[C@H](OC)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571298002 946204663 /nfs/dbraw/zinc/20/46/63/946204663.db2.gz GWHLJGSVCOHNKU-KRWDZBQOSA-N 0 1 390.463 1.854 20 0 GDADMN CC[C@H](OC)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571298002 946204674 /nfs/dbraw/zinc/20/46/74/946204674.db2.gz GWHLJGSVCOHNKU-KRWDZBQOSA-N 0 1 390.463 1.854 20 0 GDADMN CC[C@H](OC)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571298002 946204686 /nfs/dbraw/zinc/20/46/86/946204686.db2.gz GWHLJGSVCOHNKU-KRWDZBQOSA-N 0 1 390.463 1.854 20 0 GDADMN O=C([C@@H]1CC12CCCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822916937 946218935 /nfs/dbraw/zinc/21/89/35/946218935.db2.gz IYZLUYPMYBCVDU-ZDUSSCGKSA-N 0 1 383.456 1.961 20 0 GDADMN CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298521 946219071 /nfs/dbraw/zinc/21/90/71/946219071.db2.gz ABUJFRNBHBHFCI-QWHCGFSZSA-N 0 1 390.517 1.201 20 0 GDADMN CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298521 946219081 /nfs/dbraw/zinc/21/90/81/946219081.db2.gz ABUJFRNBHBHFCI-QWHCGFSZSA-N 0 1 390.517 1.201 20 0 GDADMN O=C([C@@H]1CCCOCC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299037 946238917 /nfs/dbraw/zinc/23/89/17/946238917.db2.gz HTQPISIRLDRLIL-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN O=C([C@@H]1CCCOCC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299037 946238927 /nfs/dbraw/zinc/23/89/27/946238927.db2.gz HTQPISIRLDRLIL-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN O=C([C@H]1CCCO1)N1CCCCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299365 946247521 /nfs/dbraw/zinc/24/75/21/946247521.db2.gz LRCLWKMIQVGCFO-UKRRQHHQSA-N 0 1 390.513 1.968 20 0 GDADMN O=C([C@H]1CCCO1)N1CCCCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299365 946247530 /nfs/dbraw/zinc/24/75/30/946247530.db2.gz LRCLWKMIQVGCFO-UKRRQHHQSA-N 0 1 390.513 1.968 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CCN1c1ncc(-c2nn[nH]n2)cc1Cl ZINC001571299748 946261853 /nfs/dbraw/zinc/26/18/53/946261853.db2.gz PLPCFSPNLFLJHL-DDTOSNHZSA-N 0 1 390.879 1.093 20 0 GDADMN CN1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571300301 946276832 /nfs/dbraw/zinc/27/68/32/946276832.db2.gz ZFEIHZYFYCRXMM-JSGCOSHPSA-N 0 1 390.879 1.094 20 0 GDADMN Cc1cc(N2CC[C@@H]3CN(C(=O)CC(C)(F)F)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302434 946302408 /nfs/dbraw/zinc/30/24/08/946302408.db2.gz XSRXTJYCGDWQSJ-OLZOCXBDSA-N 0 1 391.426 1.900 20 0 GDADMN O=C(c1cccnn1)N1CC[C@]2(C1)CCCN(c1ccncc1-c1nn[nH]n1)C2 ZINC001571303292 946330649 /nfs/dbraw/zinc/33/06/49/946330649.db2.gz OAXWJXOVYLWLOO-LJQANCHMSA-N 0 1 391.439 1.184 20 0 GDADMN O=C(c1ncccc1[O-])N1CC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571303556 946338858 /nfs/dbraw/zinc/33/88/58/946338858.db2.gz NOHSXSOJSNCALR-JKSUJKDBSA-N 0 1 391.435 1.314 20 0 GDADMN O=C(c1ncccc1[O-])N1CC[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571303556 946338868 /nfs/dbraw/zinc/33/88/68/946338868.db2.gz NOHSXSOJSNCALR-JKSUJKDBSA-N 0 1 391.435 1.314 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1nc(Cl)cs1 ZINC001571305478 946364532 /nfs/dbraw/zinc/36/45/32/946364532.db2.gz CEJFZFUAMVKPHE-MRVPVSSYSA-N 0 1 391.848 1.165 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001571306957 946411419 /nfs/dbraw/zinc/41/14/19/946411419.db2.gz SCPOUDQETITYEV-SFHVURJKSA-N 0 1 391.479 1.930 20 0 GDADMN O=C(N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)C1(F)CCOCC1 ZINC001571307243 946421360 /nfs/dbraw/zinc/42/13/60/946421360.db2.gz ASLYUZLDOGXKJM-CQSZACIVSA-N 0 1 392.410 1.215 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571308540 946433061 /nfs/dbraw/zinc/43/30/61/946433061.db2.gz QHCLWSLNQYNPFA-ZYHUDNBSSA-N 0 1 392.414 1.163 20 0 GDADMN CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001571309027 946439712 /nfs/dbraw/zinc/43/97/12/946439712.db2.gz WBLUBJKDBKNVJT-MNOVXSKESA-N 0 1 392.414 1.518 20 0 GDADMN CCc1ccc([C@H](C)C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571313852 946534422 /nfs/dbraw/zinc/53/44/22/946534422.db2.gz XEDDVIQLYRWLMO-BBRMVZONSA-N 0 1 392.467 1.718 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1cccc(N(C)C)c1 ZINC001571313846 946535232 /nfs/dbraw/zinc/53/52/32/946535232.db2.gz XDJFQUPJCJAMJH-HIFRSBDPSA-N 0 1 392.467 1.465 20 0 GDADMN Cc1cc[nH]c1C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571314747 946545079 /nfs/dbraw/zinc/54/50/79/946545079.db2.gz BZRSABPBCDJQLD-XOBRGWDASA-N 0 1 392.467 1.675 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)Cc3cccnc3)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316145 946565770 /nfs/dbraw/zinc/56/57/70/946565770.db2.gz UXISZBKKQMINIR-GOEBONIOSA-N 0 1 392.467 1.681 20 0 GDADMN Cc1ccc(CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001571316184 946568981 /nfs/dbraw/zinc/56/89/81/946568981.db2.gz VSXUWQAJORVOFP-MRXNPFEDSA-N 0 1 392.467 1.423 20 0 GDADMN Cc1cnccc1CC(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571316400 946577333 /nfs/dbraw/zinc/57/73/33/946577333.db2.gz BKIOPOURUMPSPX-HNNXBMFYSA-N 0 1 392.467 1.493 20 0 GDADMN Cn1ccc(C(=O)N2CCC3(CCN(c4ccncc4-c4nn[nH]n4)C3)CC2)c1 ZINC001571316742 946587046 /nfs/dbraw/zinc/58/70/46/946587046.db2.gz LFEQWIKYHMYBAH-UHFFFAOYSA-N 0 1 392.467 1.733 20 0 GDADMN CC(C)(C)c1nc([C@H]2CN(c3nc4ccccn4c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000824136993 946598236 /nfs/dbraw/zinc/59/82/36/946598236.db2.gz WALOYRPXUCPALD-LLVKDONJSA-N 0 1 394.443 1.508 20 0 GDADMN CC(C)(C)c1nnc([C@H]2CN(c3nc4ccccn4c3-c3nn[nH]n3)CCO2)[nH]1 ZINC000824136993 946598243 /nfs/dbraw/zinc/59/82/43/946598243.db2.gz WALOYRPXUCPALD-LLVKDONJSA-N 0 1 394.443 1.508 20 0 GDADMN O=C(NC[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCn2ccnc2C1 ZINC001571317153 946602561 /nfs/dbraw/zinc/60/25/61/946602561.db2.gz WREMTJZSCFGCLI-ZBFHGGJFSA-N 0 1 392.467 1.016 20 0 GDADMN CN(c1nc(-c2nn[nH]n2)c(Cl)s1)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001571317834 946621594 /nfs/dbraw/zinc/62/15/94/946621594.db2.gz WTKCUVHINAPMOH-SNVBAGLBSA-N 0 1 392.876 1.666 20 0 GDADMN C[C@@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824565085 946804338 /nfs/dbraw/zinc/80/43/38/946804338.db2.gz YQFDJOGTRGXIMY-MUDIAHQHSA-N 0 1 384.465 1.893 20 0 GDADMN CCc1cnccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825733679 947302872 /nfs/dbraw/zinc/30/28/72/947302872.db2.gz IHNUGGFMNPXSLR-UHFFFAOYSA-N 0 1 394.439 1.652 20 0 GDADMN CN(C)C(=O)C1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825840799 947345889 /nfs/dbraw/zinc/34/58/89/947345889.db2.gz QTUXPUPWJGZYCR-QGZVFWFLSA-N 0 1 397.483 1.162 20 0 GDADMN C[C@H](C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573598814 947443977 /nfs/dbraw/zinc/44/39/77/947443977.db2.gz RWIFJMFKMYBWHJ-AWEZNQCLSA-N 0 1 380.456 1.745 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573599583 947458148 /nfs/dbraw/zinc/45/81/48/947458148.db2.gz YHUQXISJJKHKFE-VXNVDRBHSA-N 0 1 385.881 1.254 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573613830 947571078 /nfs/dbraw/zinc/57/10/78/947571078.db2.gz JNLXFBYJJJHBDP-NXEZZACHSA-N 0 1 380.403 1.019 20 0 GDADMN COc1cc(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])cc(Cl)c1OCC(N)=O ZINC000327456403 971400995 /nfs/dbraw/zinc/40/09/95/971400995.db2.gz QCFNIXOADWDVJX-NSHDSACASA-N 0 1 388.873 1.605 20 0 GDADMN COc1cc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc(Cl)c1OCC(N)=O ZINC000327456403 971400999 /nfs/dbraw/zinc/40/09/99/971400999.db2.gz QCFNIXOADWDVJX-NSHDSACASA-N 0 1 388.873 1.605 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573614203 947581229 /nfs/dbraw/zinc/58/12/29/947581229.db2.gz DAHLTJCSDMSBKR-KBPBESRZSA-N 0 1 381.444 1.004 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573614332 947582918 /nfs/dbraw/zinc/58/29/18/947582918.db2.gz LYYBWZLTRPCEQA-MCIONIFRSA-N 0 1 384.488 1.909 20 0 GDADMN C[C@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573616486 947622481 /nfs/dbraw/zinc/62/24/81/947622481.db2.gz IVSQVLQWEHBMOA-SUMWQHHRSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573616973 947632604 /nfs/dbraw/zinc/63/26/04/947632604.db2.gz KHMJLRCPNDOCFO-WFASDCNBSA-N 0 1 384.419 1.154 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573617901 947644079 /nfs/dbraw/zinc/64/40/79/947644079.db2.gz QGBNZLHSXRKLRL-LIRRHRJNSA-N 0 1 380.456 1.397 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573358648 947668402 /nfs/dbraw/zinc/66/84/02/947668402.db2.gz GNFGGUVRFVCENN-OAGGEKHMSA-N 0 1 388.435 1.839 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573627503 947723794 /nfs/dbraw/zinc/72/37/94/947723794.db2.gz CQXPYWQPPWPFQB-ZFWWWQNUSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573630561 947793674 /nfs/dbraw/zinc/79/36/74/947793674.db2.gz YQSGKKPIVQIEJO-QEJZJMRPSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573630752 947794512 /nfs/dbraw/zinc/79/45/12/947794512.db2.gz RXBMBEDDXDQCBS-MJBXVCDLSA-N 0 1 384.488 1.909 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573631808 947804121 /nfs/dbraw/zinc/80/41/21/947804121.db2.gz WZFXMAKHGDETCN-LSDHHAIUSA-N 0 1 380.456 1.397 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573374121 947805300 /nfs/dbraw/zinc/80/53/00/947805300.db2.gz MPJHJQGMVKFKRB-MRXNPFEDSA-N 0 1 388.447 1.798 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573638559 947840492 /nfs/dbraw/zinc/84/04/92/947840492.db2.gz PQWAGBORFOWUQP-UKRRQHHQSA-N 0 1 378.440 1.285 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573645863 947872190 /nfs/dbraw/zinc/87/21/90/947872190.db2.gz BYSWJVQAHCCYNU-HOCLYGCPSA-N 0 1 384.488 1.539 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573381501 947875067 /nfs/dbraw/zinc/87/50/67/947875067.db2.gz WKWNBTLMKCUJKE-ZFWWWQNUSA-N 0 1 385.472 1.803 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(F)F ZINC001573664068 948046801 /nfs/dbraw/zinc/04/68/01/948046801.db2.gz RTQZCPWKTYUVKJ-GHMZBOCLSA-N 0 1 392.414 1.423 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826346809 948047021 /nfs/dbraw/zinc/04/70/21/948047021.db2.gz WFLMTTLTKRZINY-XJKSGUPXSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826346809 948047033 /nfs/dbraw/zinc/04/70/33/948047033.db2.gz WFLMTTLTKRZINY-XJKSGUPXSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826346809 948047044 /nfs/dbraw/zinc/04/70/44/948047044.db2.gz WFLMTTLTKRZINY-XJKSGUPXSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826346809 948047054 /nfs/dbraw/zinc/04/70/54/948047054.db2.gz WFLMTTLTKRZINY-XJKSGUPXSA-N 0 1 395.467 1.732 20 0 GDADMN C[C@@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1)c1cccnc1 ZINC001573664727 948060702 /nfs/dbraw/zinc/06/07/02/948060702.db2.gz XZHKFMZYDQHURS-CQSZACIVSA-N 0 1 392.467 1.723 20 0 GDADMN C[C@@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573664699 948061062 /nfs/dbraw/zinc/06/10/62/948061062.db2.gz GHPALBOBYLYKLR-WHXUTIOJSA-N 0 1 380.403 1.209 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573667322 948096371 /nfs/dbraw/zinc/09/63/71/948096371.db2.gz YYKXKLIYBKLUQM-ZFWWWQNUSA-N 0 1 384.488 1.958 20 0 GDADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(CCCn2ccnc2)CC1 ZINC000826389452 948197763 /nfs/dbraw/zinc/19/77/63/948197763.db2.gz YSSAWQYCDZFOJM-SFHVURJKSA-N 0 1 394.483 1.782 20 0 GDADMN C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573681876 948215965 /nfs/dbraw/zinc/21/59/65/948215965.db2.gz YIGPHSOVFRIODR-MFKMUULPSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](C(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573690590 948228368 /nfs/dbraw/zinc/22/83/68/948228368.db2.gz FCVBPBFUEMGXQE-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573692226 948258079 /nfs/dbraw/zinc/25/80/79/948258079.db2.gz NCOGECLUIKWJOY-SMDDNHRTSA-N 0 1 378.452 1.255 20 0 GDADMN O=C(CSc1ccc(-c2nn[nH]n2)cc1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000826420141 948263396 /nfs/dbraw/zinc/26/33/96/948263396.db2.gz ACVOKBJDOXGOJM-MRXNPFEDSA-N 0 1 392.448 1.983 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)C(F)(F)F ZINC001573692608 948269557 /nfs/dbraw/zinc/26/95/57/948269557.db2.gz RCZZOIVBENEKNE-SECBINFHSA-N 0 1 384.366 1.118 20 0 GDADMN C[C@@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@H]1CCCO1 ZINC001573692694 948271036 /nfs/dbraw/zinc/27/10/36/948271036.db2.gz RVFSWYYVZKBHJD-MLGOLLRUSA-N 0 1 388.447 1.559 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826425895 948274717 /nfs/dbraw/zinc/27/47/17/948274717.db2.gz YQIHJSGRFZXVIN-UHFFFAOYSA-N 0 1 389.370 1.365 20 0 GDADMN C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573708284 948447104 /nfs/dbraw/zinc/44/71/04/948447104.db2.gz SRQIJVGUMGQRMW-LBPRGKRZSA-N 0 1 382.428 1.174 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573708428 948450074 /nfs/dbraw/zinc/45/00/74/948450074.db2.gz VFNUIWDUUZMVDO-NWDGAFQWSA-N 0 1 384.469 1.464 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573714112 948469237 /nfs/dbraw/zinc/46/92/37/948469237.db2.gz DRSGQILCQKVZET-LSDHHAIUSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573714757 948476478 /nfs/dbraw/zinc/47/64/78/948476478.db2.gz JSQVMZXYSPAXFW-WDEREUQCSA-N 0 1 380.403 1.281 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573717475 948507875 /nfs/dbraw/zinc/50/78/75/948507875.db2.gz CVHUIPMLSPMFAM-CQSZACIVSA-N 0 1 389.479 1.823 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F)c1cccnc1 ZINC001573732759 948607526 /nfs/dbraw/zinc/60/75/26/948607526.db2.gz XCVWECJSCXUQFJ-QWHCGFSZSA-N 0 1 383.431 1.799 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1cccs1 ZINC001573740768 948642158 /nfs/dbraw/zinc/64/21/58/948642158.db2.gz OQDPNONKOBOPOA-IJLUTSLNSA-N 0 1 384.469 1.463 20 0 GDADMN C[C@@H](C(=O)Nc1ccc2cc(N(C)C)ccc2c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755158 948757652 /nfs/dbraw/zinc/75/76/52/948757652.db2.gz BKRRQUNFFACKKY-NSHDSACASA-N 0 1 377.412 1.877 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccsc1 ZINC001573757299 948831783 /nfs/dbraw/zinc/83/17/83/948831783.db2.gz ZQFIDVJOKOJELR-ADDUCUOXSA-N 0 1 381.465 1.678 20 0 GDADMN C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574918147 948834696 /nfs/dbraw/zinc/83/46/96/948834696.db2.gz GJHRGGXYEDYWNI-LBPRGKRZSA-N 0 1 384.419 1.157 20 0 GDADMN CC(C)c1ccsc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574424349 948849492 /nfs/dbraw/zinc/84/94/92/948849492.db2.gz LQJZMSKAPKVFNB-UHFFFAOYSA-N 0 1 384.469 1.638 20 0 GDADMN CC(C)c1nc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574424566 948852128 /nfs/dbraw/zinc/85/21/28/948852128.db2.gz QDNSTWFNEZOUON-SNVBAGLBSA-N 0 1 387.473 1.491 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCCCO1 ZINC001573763395 948870049 /nfs/dbraw/zinc/87/00/49/948870049.db2.gz DRYCRCUASGVHBN-BBRMVZONSA-N 0 1 385.472 1.292 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574684686 948880517 /nfs/dbraw/zinc/88/05/17/948880517.db2.gz KSMCVPSQQMAEKH-HXFLIBJXSA-N 0 1 383.865 1.176 20 0 GDADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCCCN1C ZINC001574684779 948885233 /nfs/dbraw/zinc/88/52/33/948885233.db2.gz MOFZPRNNIYZBBV-SMDDNHRTSA-N 0 1 376.440 1.192 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)COCC1CC1 ZINC001574684805 948887266 /nfs/dbraw/zinc/88/72/66/948887266.db2.gz MXMFXYBGAFDUDY-QMMMGPOBSA-N 0 1 385.881 1.710 20 0 GDADMN CC(C)c1nc([C@H]2CCCCN2C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)no1 ZINC001574426639 948892645 /nfs/dbraw/zinc/89/26/45/948892645.db2.gz UNXPCRAGQLETCZ-WDEREUQCSA-N 0 1 386.420 1.279 20 0 GDADMN CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575234845 948908887 /nfs/dbraw/zinc/90/88/87/948908887.db2.gz HJZIWLSYZNBOGA-QFYYESIMSA-N 0 1 378.387 1.177 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncs1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921119 948913649 /nfs/dbraw/zinc/91/36/49/948913649.db2.gz SOVIXYGCIPUTAF-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncs1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921119 948913660 /nfs/dbraw/zinc/91/36/60/948913660.db2.gz SOVIXYGCIPUTAF-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573766034 948930428 /nfs/dbraw/zinc/93/04/28/948930428.db2.gz VAFQGVDHJSEFSX-ZDUSSCGKSA-N 0 1 387.463 1.893 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001575236140 948933870 /nfs/dbraw/zinc/93/38/70/948933870.db2.gz WLFCKIQOEZLMGC-JYAVWHMHSA-N 0 1 380.374 1.598 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575236095 948934147 /nfs/dbraw/zinc/93/41/47/948934147.db2.gz VSAWMXQWLVAPQM-APPDUMDISA-N 0 1 392.414 1.710 20 0 GDADMN C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574693123 949045198 /nfs/dbraw/zinc/04/51/98/949045198.db2.gz AOCBHSQSRJBROS-CQSZACIVSA-N 0 1 387.492 1.230 20 0 GDADMN C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574693123 949045210 /nfs/dbraw/zinc/04/52/10/949045210.db2.gz AOCBHSQSRJBROS-CQSZACIVSA-N 0 1 387.492 1.230 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602789042 971541021 /nfs/dbraw/zinc/54/10/21/971541021.db2.gz GIUDZSKZSAPYDG-HOTGVXAUSA-N 0 1 375.473 1.091 20 0 GDADMN C[C@@H](CNC(=O)COCC1CCCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574931175 949114679 /nfs/dbraw/zinc/11/46/79/949114679.db2.gz OFQGTRMZEBUZAJ-ZDUSSCGKSA-N 0 1 390.463 1.807 20 0 GDADMN C[C@@H](NC(=O)C1(C)CCOCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575251709 949144686 /nfs/dbraw/zinc/14/46/86/949144686.db2.gz CADFZKHJNHSXFG-CQSZACIVSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@H](NC(=O)[C@@]1(F)CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575251988 949153683 /nfs/dbraw/zinc/15/36/83/949153683.db2.gz DFNDSUQUSXAIDH-BBATYDOGSA-N 0 1 392.410 1.071 20 0 GDADMN CC(C)c1ocnc1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574447498 949161244 /nfs/dbraw/zinc/16/12/44/949161244.db2.gz QAUYREQJRLNGTC-UHFFFAOYSA-N 0 1 383.416 1.121 20 0 GDADMN CC(C)c1ocnc1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001574447614 949167188 /nfs/dbraw/zinc/16/71/88/949167188.db2.gz UTBWDZHMBGPJCQ-UHFFFAOYSA-N 0 1 382.428 1.560 20 0 GDADMN C[C@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575252802 949169902 /nfs/dbraw/zinc/16/99/02/949169902.db2.gz HMAQSGYRCZPHCO-STQMWFEESA-N 0 1 388.451 1.660 20 0 GDADMN C[C@@H](NC(=O)[C@]1(C)CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575252917 949175706 /nfs/dbraw/zinc/17/57/06/949175706.db2.gz IHLPSJFOCQXFOT-CWTRNNRKSA-N 0 1 388.447 1.369 20 0 GDADMN CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574448213 949183294 /nfs/dbraw/zinc/18/32/94/949183294.db2.gz GJMOQSTUBQPDSO-IAQYHMDHSA-N 0 1 382.428 1.368 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](F)CC1CCCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698298 949183790 /nfs/dbraw/zinc/18/37/90/949183790.db2.gz IWMIEIXOGNVPQF-TZMCWYRMSA-N 0 1 390.467 1.646 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574936089 949209909 /nfs/dbraw/zinc/20/99/09/949209909.db2.gz HGGUZURUZSIFHH-SNVBAGLBSA-N 0 1 389.822 1.635 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001574451095 949213631 /nfs/dbraw/zinc/21/36/31/949213631.db2.gz BNMMLPDJMYSZGD-PWSUYJOCSA-N 0 1 383.416 1.165 20 0 GDADMN O=C([O-])c1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC001595215339 949215010 /nfs/dbraw/zinc/21/50/10/949215010.db2.gz YUOCPCRBCOBNDO-RTBURBONSA-N 0 1 381.432 1.895 20 0 GDADMN CC(C)c1scnc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574451312 949226041 /nfs/dbraw/zinc/22/60/41/949226041.db2.gz LZMURRURXYTOLS-JTQLQIEISA-N 0 1 387.473 1.279 20 0 GDADMN C[C@H](c1cnccn1)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575517221 949226021 /nfs/dbraw/zinc/22/60/21/949226021.db2.gz UTTHAPVTPAGYMZ-TZMCWYRMSA-N 0 1 381.444 1.330 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001575854390 949228977 /nfs/dbraw/zinc/22/89/77/949228977.db2.gz UFICESQSANUGGH-UHFFFAOYSA-N 0 1 382.403 1.325 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575854082 949229915 /nfs/dbraw/zinc/22/99/15/949229915.db2.gz RXOIQAYPVZIHAK-CHWSQXEVSA-N 0 1 384.488 1.554 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001589605170 949244331 /nfs/dbraw/zinc/24/43/31/949244331.db2.gz LSKQVSNDHKLBJQ-SJKOYZFVSA-N 0 1 383.470 1.238 20 0 GDADMN CC(C)c1scnc1C(=O)N[C@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574451799 949249198 /nfs/dbraw/zinc/24/91/98/949249198.db2.gz ZFTKNOKLWDGQFE-GHMZBOCLSA-N 0 1 386.485 1.882 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(F)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574940452 949267686 /nfs/dbraw/zinc/26/76/86/949267686.db2.gz GCUOIGVYDLEREY-GFCCVEGCSA-N 0 1 386.406 1.982 20 0 GDADMN CC(C)CC(=O)N1CCO[C@H]([C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109731 949327232 /nfs/dbraw/zinc/32/72/32/949327232.db2.gz BNNOSHDWMDJBCU-DYVFJYSZSA-N 0 1 390.463 1.757 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575259926 949342154 /nfs/dbraw/zinc/34/21/54/949342154.db2.gz SLQOBMZVDNAOEN-ZJUUUORDSA-N 0 1 380.403 1.209 20 0 GDADMN C[C@@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260896 949370134 /nfs/dbraw/zinc/37/01/34/949370134.db2.gz YJCMINACZQMWNK-OLZOCXBDSA-N 0 1 384.488 1.814 20 0 GDADMN CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001575528015 949385876 /nfs/dbraw/zinc/38/58/76/949385876.db2.gz KXAPWAAWXFRPAG-DTORHVGOSA-N 0 1 379.877 1.956 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704490 949386699 /nfs/dbraw/zinc/38/66/99/949386699.db2.gz NLIAKYTVPZZHGE-NYTXWWLZSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704422 949387887 /nfs/dbraw/zinc/38/78/87/949387887.db2.gz CFPWSZCYXCKMOR-LRDDRELGSA-N 0 1 376.436 1.511 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575866082 949393172 /nfs/dbraw/zinc/39/31/72/949393172.db2.gz CNTHKTYERKVHJO-RISCZKNCSA-N 0 1 382.472 1.566 20 0 GDADMN CC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573801667 949402318 /nfs/dbraw/zinc/40/23/18/949402318.db2.gz BRDDRNGDZGTIOT-GOSISDBHSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575263592 949403239 /nfs/dbraw/zinc/40/32/39/949403239.db2.gz IHGXMEXCOGBAQP-WDEREUQCSA-N 0 1 383.378 1.935 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574464195 949403379 /nfs/dbraw/zinc/40/33/79/949403379.db2.gz JAKYYKDYCVVUMA-ZDUSSCGKSA-N 0 1 381.444 1.035 20 0 GDADMN CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001575533322 949416704 /nfs/dbraw/zinc/41/67/04/949416704.db2.gz GWEKNUYVRMCJIO-OKILXGFUSA-N 0 1 382.472 1.807 20 0 GDADMN CC(C)n1cnc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001574464665 949421654 /nfs/dbraw/zinc/42/16/54/949421654.db2.gz QKGKGUKIUPTQTH-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574465402 949434417 /nfs/dbraw/zinc/43/44/17/949434417.db2.gz XNEBJDOOHQYJNX-CYBMUJFWSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575535169 949439726 /nfs/dbraw/zinc/43/97/26/949439726.db2.gz SVKYWTCLXBLRNZ-YVEFUNNKSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575535169 949439741 /nfs/dbraw/zinc/43/97/41/949439741.db2.gz SVKYWTCLXBLRNZ-YVEFUNNKSA-N 0 1 376.486 1.293 20 0 GDADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589623511 949444559 /nfs/dbraw/zinc/44/45/59/949444559.db2.gz UKTVSQGJDRPDCL-CQSZACIVSA-N 0 1 388.530 1.283 20 0 GDADMN C[C@@H](NC(=O)C1CCOCC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575265543 949446794 /nfs/dbraw/zinc/44/67/94/949446794.db2.gz UNWOHRAXQMOSEU-SFYZADRCSA-N 0 1 385.881 1.708 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[NH+](C)C ZINC001576156582 949449133 /nfs/dbraw/zinc/44/91/33/949449133.db2.gz NGWMXPHGDHBTAR-SCLBCKFNSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[NH+](C)C ZINC001576156582 949449148 /nfs/dbraw/zinc/44/91/48/949449148.db2.gz NGWMXPHGDHBTAR-SCLBCKFNSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H](CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574470384 949500789 /nfs/dbraw/zinc/50/07/89/949500789.db2.gz BVWRMMGRFMYHQQ-ZIAGYGMSSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001576159038 949511672 /nfs/dbraw/zinc/51/16/72/949511672.db2.gz VYTIKYFPDDQAOZ-ZIAGYGMSSA-N 0 1 384.488 1.746 20 0 GDADMN C[C@H](CC(=O)N(C)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574470784 949513994 /nfs/dbraw/zinc/51/39/94/949513994.db2.gz GTHSQOOVPGVNTQ-LRVUVFPRSA-N 0 1 384.488 1.696 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574950445 949537878 /nfs/dbraw/zinc/53/78/78/949537878.db2.gz ORNYFARRRUPSAW-ZIAGYGMSSA-N 0 1 381.440 1.206 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC2(C)CC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164584 949558420 /nfs/dbraw/zinc/55/84/20/949558420.db2.gz HOLZZHRTCSUMOR-ZIAGYGMSSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574956455 949578007 /nfs/dbraw/zinc/57/80/07/949578007.db2.gz IPFYFJDRJWPOMO-YHMZSZJBSA-N 0 1 386.431 1.024 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715468 949653032 /nfs/dbraw/zinc/65/30/32/949653032.db2.gz CYLRTRDKYLGLAX-HIFRSBDPSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574958202 949655656 /nfs/dbraw/zinc/65/56/56/949655656.db2.gz NWONROIPDUJUJN-KXEKKFMESA-N 0 1 383.865 1.177 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCC1(C)C ZINC001573815836 949662186 /nfs/dbraw/zinc/66/21/86/949662186.db2.gz KLQQJLIHOIEUNX-CHWSQXEVSA-N 0 1 386.504 1.848 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574958427 949670924 /nfs/dbraw/zinc/67/09/24/949670924.db2.gz JMRQRFALEBKDIM-AEGPPILISA-N 0 1 378.440 1.047 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574959049 949703280 /nfs/dbraw/zinc/70/32/80/949703280.db2.gz PWDHUWNRCMUWBP-WCFLWFBJSA-N 0 1 384.469 1.463 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574716706 949703810 /nfs/dbraw/zinc/70/38/10/949703810.db2.gz LEEYYZWNAYXTLF-DTWKUNHWSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H](NC(=O)CCc1cn[nH]c1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575277302 949746938 /nfs/dbraw/zinc/74/69/38/949746938.db2.gz PVKMHAFGNMJDLV-LLVKDONJSA-N 0 1 386.485 1.221 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171196 949751665 /nfs/dbraw/zinc/75/16/65/949751665.db2.gz PJPYHKSEDMEHLF-UKRRQHHQSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171196 949751680 /nfs/dbraw/zinc/75/16/80/949751680.db2.gz PJPYHKSEDMEHLF-UKRRQHHQSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)CCOC1 ZINC001575559348 949755585 /nfs/dbraw/zinc/75/55/85/949755585.db2.gz BHFURIHZSKRENJ-MAUKXSAKSA-N 0 1 383.456 1.163 20 0 GDADMN CC1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCCCC1 ZINC001575559849 949767136 /nfs/dbraw/zinc/76/71/36/949767136.db2.gz YEIVSSHRZUFOGK-CABCVRRESA-N 0 1 396.499 1.912 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171474 949768018 /nfs/dbraw/zinc/76/80/18/949768018.db2.gz QZICDDHHQOXYOU-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171474 949768040 /nfs/dbraw/zinc/76/80/40/949768040.db2.gz QZICDDHHQOXYOU-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171474 949768058 /nfs/dbraw/zinc/76/80/58/949768058.db2.gz QZICDDHHQOXYOU-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171474 949768074 /nfs/dbraw/zinc/76/80/74/949768074.db2.gz QZICDDHHQOXYOU-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574137761 949768259 /nfs/dbraw/zinc/76/82/59/949768259.db2.gz XEOGJWUJXORQHY-ZFWWWQNUSA-N 0 1 386.504 1.800 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574137884 949774415 /nfs/dbraw/zinc/77/44/15/949774415.db2.gz YOYRBQQRZDRFGT-LSDHHAIUSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574720647 949800066 /nfs/dbraw/zinc/80/00/66/949800066.db2.gz FIDASKDXBVDPHI-ZDUSSCGKSA-N 0 1 383.431 1.714 20 0 GDADMN CC(C)OCCC(=O)N(C)C[C@@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574721754 949818694 /nfs/dbraw/zinc/81/86/94/949818694.db2.gz NKQWLXOVBFEDQQ-CYBMUJFWSA-N 0 1 378.452 1.757 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 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WPBBZPDIPBWRHJ-GJZGRUSLSA-N 0 1 387.488 1.538 20 0 GDADMN CC1(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC(F)(F)C1 ZINC001575570602 949943707 /nfs/dbraw/zinc/94/37/07/949943707.db2.gz SVVKWSJRRSQCQJ-UHFFFAOYSA-N 0 1 378.387 1.177 20 0 GDADMN C[C@@H](CC(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C1CC1 ZINC001574489339 949961818 /nfs/dbraw/zinc/96/18/18/949961818.db2.gz ITPYERHPNHSTDD-IMJJTQAJSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574727614 949976539 /nfs/dbraw/zinc/97/65/39/949976539.db2.gz WAXMEFKTNRGHFB-GFCCVEGCSA-N 0 1 387.469 1.339 20 0 GDADMN C[C@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574727614 949976555 /nfs/dbraw/zinc/97/65/55/949976555.db2.gz WAXMEFKTNRGHFB-GFCCVEGCSA-N 0 1 387.469 1.339 20 0 GDADMN CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC001589675587 949994638 /nfs/dbraw/zinc/99/46/38/949994638.db2.gz SHRZVJXCFKTYQZ-IRXDYDNUSA-N 0 1 376.453 1.811 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891285 949997021 /nfs/dbraw/zinc/99/70/21/949997021.db2.gz HIWKFDVXPHZDED-UWVGGRQHSA-N 0 1 388.819 1.690 20 0 GDADMN CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])CC1 ZINC001589676861 950000403 /nfs/dbraw/zinc/00/04/03/950000403.db2.gz IETXLECUODXGIC-INIZCTEOSA-N 0 1 382.505 1.406 20 0 GDADMN C[C@@H]1CCN(C(=O)CC2CCCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181662 950014910 /nfs/dbraw/zinc/01/49/10/950014910.db2.gz IQOJFDNFTVFHPR-UKRRQHHQSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccn[nH]1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574729450 950020004 /nfs/dbraw/zinc/02/00/04/950020004.db2.gz NSTSJYUHKQBDJZ-VIFPVBQESA-N 0 1 375.824 1.140 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574729576 950020051 /nfs/dbraw/zinc/02/00/51/950020051.db2.gz OLCKZUPXVDSTJX-CQSZACIVSA-N 0 1 391.479 1.674 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnon1 ZINC001574150610 950031068 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ZINC001574502386 950375978 /nfs/dbraw/zinc/37/59/78/950375978.db2.gz MPMRGIHIOBPNGW-KGLIPLIRSA-N 0 1 381.440 1.991 20 0 GDADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574162523 950384562 /nfs/dbraw/zinc/38/45/62/950384562.db2.gz CFUNVLXPNPSWOB-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574162523 950384584 /nfs/dbraw/zinc/38/45/84/950384584.db2.gz CFUNVLXPNPSWOB-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cnc(Cl)s1 ZINC001574746689 950394176 /nfs/dbraw/zinc/39/41/76/950394176.db2.gz OIHLPQSOISNMFH-QMMMGPOBSA-N 0 1 380.865 1.555 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574503975 950423569 /nfs/dbraw/zinc/42/35/69/950423569.db2.gz ZBCYGGKSLBANNL-ZIAGYGMSSA-N 0 1 381.444 1.052 20 0 GDADMN CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2ccncc2-c2nn[nH]n2)CCC1 ZINC001574163343 950424077 /nfs/dbraw/zinc/42/40/77/950424077.db2.gz SBLHCAQJWBPQIN-AWEZNQCLSA-N 0 1 387.488 1.131 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574504015 950424495 /nfs/dbraw/zinc/42/44/95/950424495.db2.gz ZHEWYVUEVJJOLV-RDTXWAMCSA-N 0 1 384.484 1.620 20 0 GDADMN CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574163825 950438606 /nfs/dbraw/zinc/43/86/06/950438606.db2.gz YXCATHPODPYUBX-ZFWWWQNUSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574163825 950438626 /nfs/dbraw/zinc/43/86/26/950438626.db2.gz YXCATHPODPYUBX-ZFWWWQNUSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574165529 950448771 /nfs/dbraw/zinc/44/87/71/950448771.db2.gz GKTDKAFNEOMLRI-OKILXGFUSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)CC1(C(=O)NCCN(c2ccnc(-c3nn[nH]n3)n2)C2CC2)CCC1 ZINC001574165546 950448824 /nfs/dbraw/zinc/44/88/24/950448824.db2.gz HDBRUNHJCDAKQG-UHFFFAOYSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576203780 950449360 /nfs/dbraw/zinc/44/93/60/950449360.db2.gz JJBBFRRDOBAFOX-UONOGXRCSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576203780 950449374 /nfs/dbraw/zinc/44/93/74/950449374.db2.gz JJBBFRRDOBAFOX-UONOGXRCSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N[C@@H](C)c1ccc(F)cc1F ZINC001574993588 950464073 /nfs/dbraw/zinc/46/40/73/950464073.db2.gz LIMULOLFVOFZLO-ZJUUUORDSA-N 0 1 375.383 1.942 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573867300 950529007 /nfs/dbraw/zinc/52/90/07/950529007.db2.gz UTCCWGLLSXLJAN-OLZOCXBDSA-N 0 1 386.460 1.042 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753551 950531770 /nfs/dbraw/zinc/53/17/70/950531770.db2.gz PBILSJUZIGZSLM-CYBMUJFWSA-N 0 1 380.456 1.322 20 0 GDADMN CC(C)CCC(=O)N1C[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C1 ZINC001574170037 950531771 /nfs/dbraw/zinc/53/17/71/950531771.db2.gz DPHJKNTZSKCHFE-KKUMJFAQSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CNC(=O)CN1CCC(C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576205717 950535184 /nfs/dbraw/zinc/53/51/84/950535184.db2.gz NKPCRQGMBHGKBN-ZDUSSCGKSA-N 0 1 375.452 1.654 20 0 GDADMN CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206132 950561936 /nfs/dbraw/zinc/56/19/36/950561936.db2.gz UZWGAVZXLZJBRQ-XJKSGUPXSA-N 0 1 389.479 1.900 20 0 GDADMN CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206132 950561952 /nfs/dbraw/zinc/56/19/52/950561952.db2.gz UZWGAVZXLZJBRQ-XJKSGUPXSA-N 0 1 389.479 1.900 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)n1cccc1 ZINC001574512868 950590608 /nfs/dbraw/zinc/59/06/08/950590608.db2.gz FIQSYHPBUPJPHU-MCIONIFRSA-N 0 1 381.444 1.193 20 0 GDADMN CC1CCN(CC(=O)NCCN(c2ccc(-c3nn[nH]n3)cn2)C2CC2)CC1 ZINC001576207402 950594166 /nfs/dbraw/zinc/59/41/66/950594166.db2.gz HFBHVCRGGBRIAF-UHFFFAOYSA-N 0 1 384.488 1.079 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575617229 950598287 /nfs/dbraw/zinc/59/82/87/950598287.db2.gz YOUPQHNDXCQHES-GFCCVEGCSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)c1ccco1 ZINC001574513362 950603210 /nfs/dbraw/zinc/60/32/10/950603210.db2.gz PPTKXGAWVPIVTP-UPJWGTAASA-N 0 1 382.428 1.527 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001574513365 950606468 /nfs/dbraw/zinc/60/64/68/950606468.db2.gz PRMMUAYMOVVDDZ-VXGBXAGGSA-N 0 1 384.419 1.328 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)n(C)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575000531 950609022 /nfs/dbraw/zinc/60/90/22/950609022.db2.gz FFHFWURAFPTBLM-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN CC1(C)C(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001575620237 950626213 /nfs/dbraw/zinc/62/62/13/950626213.db2.gz UQAHGQUXOYOKLS-NWDGAFQWSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccns1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574759242 950630089 /nfs/dbraw/zinc/63/00/89/950630089.db2.gz AGTBEEUSDYRCMT-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)c[nH]1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575001469 950633143 /nfs/dbraw/zinc/63/31/43/950633143.db2.gz KZSPNCNBHLRCJQ-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001575922142 950645658 /nfs/dbraw/zinc/64/56/58/950645658.db2.gz OUFRFVYSZUCTCI-QWHCGFSZSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001574517860 950650288 /nfs/dbraw/zinc/65/02/88/950650288.db2.gz MNGASIBYPMLRPL-RMRHIDDWSA-N 0 1 390.513 1.870 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001574517860 950650299 /nfs/dbraw/zinc/65/02/99/950650299.db2.gz MNGASIBYPMLRPL-RMRHIDDWSA-N 0 1 390.513 1.870 20 0 GDADMN CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@@H](C(=O)[O-])[C@H](C)C3)cc2)CC1 ZINC001589744561 950659409 /nfs/dbraw/zinc/65/94/09/950659409.db2.gz SEOBRHXQESSZJH-VQIMIIECSA-N 0 1 388.512 1.810 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001589744894 950673461 /nfs/dbraw/zinc/67/34/61/950673461.db2.gz JQMBEZCJORLGLG-ZACQAIPSSA-N 0 1 388.468 1.197 20 0 GDADMN CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]21 ZINC001575624784 950675064 /nfs/dbraw/zinc/67/50/64/950675064.db2.gz OGSHCGFVJIOJET-NILFDRSVSA-N 0 1 388.451 1.516 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001575625659 950693054 /nfs/dbraw/zinc/69/30/54/950693054.db2.gz UDVHGFFQKHYGFO-NHAGDIPZSA-N 0 1 381.484 1.885 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575925728 950693779 /nfs/dbraw/zinc/69/37/79/950693779.db2.gz IEBRBFSXJAGHJO-MEBBXXQBSA-N 0 1 385.378 1.677 20 0 GDADMN CC1(C)CC(C(=O)N2CCCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001575625763 950695632 /nfs/dbraw/zinc/69/56/32/950695632.db2.gz WAFNAVJFCGJDQL-CQSZACIVSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cscc1Cl ZINC001575925876 950696041 /nfs/dbraw/zinc/69/60/41/950696041.db2.gz VTUWICCFEQLRDQ-GZMMTYOYSA-N 0 1 390.860 1.509 20 0 GDADMN CC1(C)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]2CCC[N@@H+](CCCF)[C@H]21 ZINC001575625965 950702039 /nfs/dbraw/zinc/70/20/39/950702039.db2.gz VQLJFCGCLIZACI-BPLDGKMQSA-N 0 1 375.452 1.773 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC001575927132 950735387 /nfs/dbraw/zinc/73/53/87/950735387.db2.gz NRPKOPQTFBLBOU-WFASDCNBSA-N 0 1 392.467 1.606 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575927618 950747173 /nfs/dbraw/zinc/74/71/73/950747173.db2.gz QWPMZZNISOOACJ-LRDDRELGSA-N 0 1 390.451 1.671 20 0 GDADMN C[C@@H](CN(C)C(=O)c1nccs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574765102 950774580 /nfs/dbraw/zinc/77/45/80/950774580.db2.gz DXFKXSKMTNCXNU-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931526 950809918 /nfs/dbraw/zinc/80/99/18/950809918.db2.gz IKWSRUSMWJQINX-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931526 950809932 /nfs/dbraw/zinc/80/99/32/950809932.db2.gz IKWSRUSMWJQINX-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576220083 950822809 /nfs/dbraw/zinc/82/28/09/950822809.db2.gz QIFIHFNYNRTSML-MNOVXSKESA-N 0 1 392.414 1.163 20 0 GDADMN C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576225944 950877243 /nfs/dbraw/zinc/87/72/43/950877243.db2.gz ACTFLUMXKWGXPN-XHDPSFHLSA-N 0 1 391.426 1.768 20 0 GDADMN CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001574189748 950897858 /nfs/dbraw/zinc/89/78/58/950897858.db2.gz RKZPPLLQCDLWSQ-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)(C)n1cc(CNCC=CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001573893907 950909696 /nfs/dbraw/zinc/90/96/96/950909696.db2.gz BKRVTFPODYEZOX-SNAWJCMRSA-N 0 1 383.460 1.222 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1n[nH]cc1F ZINC001574528130 950929507 /nfs/dbraw/zinc/92/95/07/950929507.db2.gz LLRTUMBWOFGXNJ-IUCAKERBSA-N 0 1 378.437 1.477 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1n[nH]cc1F ZINC001574528130 950929518 /nfs/dbraw/zinc/92/95/18/950929518.db2.gz LLRTUMBWOFGXNJ-IUCAKERBSA-N 0 1 378.437 1.477 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ncccc1[O-] ZINC001574530255 950974441 /nfs/dbraw/zinc/97/44/41/950974441.db2.gz ULFFDHOIIWMHOU-STQMWFEESA-N 0 1 381.440 1.654 20 0 GDADMN CC(C)(CC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573899508 950978110 /nfs/dbraw/zinc/97/81/10/950978110.db2.gz BGDUSGMDWIKOKU-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)(CC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573899509 950979524 /nfs/dbraw/zinc/97/95/24/950979524.db2.gz BGDUSGMDWIKOKU-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576230289 950997143 /nfs/dbraw/zinc/99/71/43/950997143.db2.gz ANKRLIGRIWOUQY-ZBFHGGJFSA-N 0 1 392.467 1.274 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccsn1 ZINC001574774607 951007192 /nfs/dbraw/zinc/00/71/92/951007192.db2.gz DSUIXSCOYSSOHG-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575023816 951082860 /nfs/dbraw/zinc/08/28/60/951082860.db2.gz PWDAJRWDOYPPGB-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)cn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575023997 951088647 /nfs/dbraw/zinc/08/86/47/951088647.db2.gz UQRUZLMDBUVUTB-SNVBAGLBSA-N 0 1 389.822 1.962 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025370 951130439 /nfs/dbraw/zinc/13/04/39/951130439.db2.gz YNIFPTZSTDFISH-LBPRGKRZSA-N 0 1 378.440 1.045 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(=O)[nH]1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575026217 951141606 /nfs/dbraw/zinc/14/16/06/951141606.db2.gz GTRCATPOAXGCMP-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CNC(=O)c1cccc(C(C)(C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027562 951160580 /nfs/dbraw/zinc/16/05/80/951160580.db2.gz SAKOGTJRJLZREX-GFCCVEGCSA-N 0 1 380.456 1.607 20 0 GDADMN C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575036470 951294297 /nfs/dbraw/zinc/29/42/97/951294297.db2.gz SLWCUTDBMJSCJO-GFCCVEGCSA-N 0 1 383.460 1.113 20 0 GDADMN C[C@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575042289 951360420 /nfs/dbraw/zinc/36/04/20/951360420.db2.gz HZKQIWPEVBKCDT-MRVPVSSYSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575042289 951360435 /nfs/dbraw/zinc/36/04/35/951360435.db2.gz HZKQIWPEVBKCDT-MRVPVSSYSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575042290 951361104 /nfs/dbraw/zinc/36/11/04/951361104.db2.gz HZKQIWPEVBKCDT-QMMMGPOBSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C)nc1Cl)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575042290 951361116 /nfs/dbraw/zinc/36/11/16/951361116.db2.gz HZKQIWPEVBKCDT-QMMMGPOBSA-N 0 1 380.865 1.223 20 0 GDADMN CC(C)c1ncc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001575044552 951415025 /nfs/dbraw/zinc/41/50/25/951415025.db2.gz SIMPAAJEYQITJB-SNVBAGLBSA-N 0 1 387.473 1.137 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575045817 951433614 /nfs/dbraw/zinc/43/36/14/951433614.db2.gz INBXKILQVFBTDM-LLVKDONJSA-N 0 1 384.419 1.057 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC001575053124 951473413 /nfs/dbraw/zinc/47/34/13/951473413.db2.gz QWVUGMPLLMOSAU-LBPRGKRZSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575053314 951478948 /nfs/dbraw/zinc/47/89/48/951478948.db2.gz SHGIAIMDSBAKSU-LBPRGKRZSA-N 0 1 381.444 1.123 20 0 GDADMN C[C@@H](CNC(=O)c1cnoc1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575055413 951505830 /nfs/dbraw/zinc/50/58/30/951505830.db2.gz SRIKWPMKVIXSAL-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575059285 951539793 /nfs/dbraw/zinc/53/97/93/951539793.db2.gz YUHKEWSCJYYUED-LLVKDONJSA-N 0 1 382.428 1.417 20 0 GDADMN C[C@H](CNC(=O)c1n[nH]c2ccccc21)CNc1ncccc1-c1nn[nH]n1 ZINC001575060787 951548387 /nfs/dbraw/zinc/54/83/87/951548387.db2.gz GNVVYVMUAVACAA-NSHDSACASA-N 0 1 377.412 1.616 20 0 GDADMN C[C@@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575062153 951567009 /nfs/dbraw/zinc/56/70/09/951567009.db2.gz USVQMENRHOGRPT-ZETCQYMHSA-N 0 1 383.890 1.946 20 0 GDADMN C[C@@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575062153 951567016 /nfs/dbraw/zinc/56/70/16/951567016.db2.gz USVQMENRHOGRPT-ZETCQYMHSA-N 0 1 383.890 1.946 20 0 GDADMN C[C@@H](CNC(=O)c1n[nH]c2ccccc21)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575062524 951570685 /nfs/dbraw/zinc/57/06/85/951570685.db2.gz XGRPVCYEAFTZGD-VIFPVBQESA-N 0 1 381.375 1.508 20 0 GDADMN C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575066875 951600505 /nfs/dbraw/zinc/60/05/05/951600505.db2.gz NFBFBEVTDYHTQA-QMMMGPOBSA-N 0 1 378.343 1.442 20 0 GDADMN C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575067383 951611353 /nfs/dbraw/zinc/61/13/53/951611353.db2.gz LITIWKMLMDJOQT-SNVBAGLBSA-N 0 1 385.432 1.197 20 0 GDADMN C[C@@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575068617 951636797 /nfs/dbraw/zinc/63/67/97/951636797.db2.gz CHMNJCWUHPLFGA-VIFPVBQESA-N 0 1 385.457 1.245 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CCC(O)CC1 ZINC001575090997 951766926 /nfs/dbraw/zinc/76/69/26/951766926.db2.gz OSQKJXBDDUSYHN-VEAWUBTESA-N 0 1 390.463 1.493 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)COC(C)(C)C ZINC001575091749 951781680 /nfs/dbraw/zinc/78/16/80/951781680.db2.gz XNKWXIJGXUGTRE-GFCCVEGCSA-N 0 1 378.452 1.757 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575091930 951786715 /nfs/dbraw/zinc/78/67/15/951786715.db2.gz ZEXMFWPTNHTQCV-CJNGLKHVSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CC1OCCCO1 ZINC001575099256 951829273 /nfs/dbraw/zinc/82/92/73/951829273.db2.gz JKAZFLPPMMQQSB-NSHDSACASA-N 0 1 380.474 1.018 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CC1OCCCO1 ZINC001575099256 951829280 /nfs/dbraw/zinc/82/92/80/951829280.db2.gz JKAZFLPPMMQQSB-NSHDSACASA-N 0 1 380.474 1.018 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C1CCC(O)CC1 ZINC001575099213 951829367 /nfs/dbraw/zinc/82/93/67/951829367.db2.gz ITJNUZPMXIQOAN-HIFPTAJRSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C1CCC(O)CC1 ZINC001575099213 951829376 /nfs/dbraw/zinc/82/93/76/951829376.db2.gz ITJNUZPMXIQOAN-HIFPTAJRSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100239 951845250 /nfs/dbraw/zinc/84/52/50/951845250.db2.gz SFBJYMGTADMQSB-SNVBAGLBSA-N 0 1 386.485 1.296 20 0 GDADMN C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100239 951845259 /nfs/dbraw/zinc/84/52/59/951845259.db2.gz SFBJYMGTADMQSB-SNVBAGLBSA-N 0 1 386.485 1.296 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(F)cn1 ZINC001575101675 951861616 /nfs/dbraw/zinc/86/16/16/951861616.db2.gz IHPQQFMOKIIJJX-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(F)cn1 ZINC001575101675 951861622 /nfs/dbraw/zinc/86/16/22/951861622.db2.gz IHPQQFMOKIIJJX-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNCc1nccn1C(F)F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116606 951972617 /nfs/dbraw/zinc/97/26/17/951972617.db2.gz GBSQAHLEQBSBES-VIFPVBQESA-N 0 1 379.375 1.037 20 0 GDADMN CC(C)[C@H]1CC[C@H](C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575140547 952142300 /nfs/dbraw/zinc/14/23/00/952142300.db2.gz DOTKOFXDKYQDEL-RBSFLKMASA-N 0 1 386.504 1.705 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575141532 952144598 /nfs/dbraw/zinc/14/45/98/952144598.db2.gz HZNYPUSQXORBKZ-CQSZACIVSA-N 0 1 384.366 1.118 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575144849 952172067 /nfs/dbraw/zinc/17/20/67/952172067.db2.gz YHUVFLCBDQXLAT-LLVKDONJSA-N 0 1 386.847 1.234 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575144885 952174365 /nfs/dbraw/zinc/17/43/65/952174365.db2.gz NDLGXAZSURHBGK-IBGZPJMESA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575146273 952192944 /nfs/dbraw/zinc/19/29/44/952192944.db2.gz JRCUIMRPKPFFTP-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575146586 952195550 /nfs/dbraw/zinc/19/55/50/952195550.db2.gz LUTSXDSSQAOZQH-AWEZNQCLSA-N 0 1 380.456 1.079 20 0 GDADMN O=C([O-])[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C1CC1 ZINC001595186404 952270024 /nfs/dbraw/zinc/27/00/24/952270024.db2.gz UBVXBODUTFEOKQ-RBUKOAKNSA-N 0 1 386.496 1.561 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575164093 952286665 /nfs/dbraw/zinc/28/66/65/952286665.db2.gz BJRGEOIEOIBXOZ-RKDXNWHRSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575165912 952316469 /nfs/dbraw/zinc/31/64/69/952316469.db2.gz RCERQZURXLNUQG-PHDIDXHHSA-N 0 1 377.808 1.891 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cccn1C ZINC001575166735 952328324 /nfs/dbraw/zinc/32/83/24/952328324.db2.gz YBZZNDBLHLTQPW-QMMMGPOBSA-N 0 1 380.865 1.888 20 0 GDADMN C[C@@H](COc1ccc(F)cc1)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001575180055 952414625 /nfs/dbraw/zinc/41/46/25/952414625.db2.gz XMBLMJDPPLWWDD-JTQLQIEISA-N 0 1 378.389 1.147 20 0 GDADMN O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1ccncc1-c1nn[nH]n1)C1CCC1 ZINC001571116654 952476566 /nfs/dbraw/zinc/47/65/66/952476566.db2.gz BFYSMNBSRXGBTB-QZTJIDSGSA-N 0 1 375.436 1.678 20 0 GDADMN C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001575203329 952520541 /nfs/dbraw/zinc/52/05/41/952520541.db2.gz TZWDRXRBOQBGMM-WDEREUQCSA-N 0 1 387.423 1.262 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123742 952532802 /nfs/dbraw/zinc/53/28/02/952532802.db2.gz VSANNKJNAXRDCI-NWDGAFQWSA-N 0 1 376.486 1.312 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123742 952532803 /nfs/dbraw/zinc/53/28/03/952532803.db2.gz VSANNKJNAXRDCI-NWDGAFQWSA-N 0 1 376.486 1.312 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@H]1C[C@H]1c1ccco1 ZINC001571124701 952542233 /nfs/dbraw/zinc/54/22/33/952542233.db2.gz RNUACVPJMXTXLF-WRHHYAMVSA-N 0 1 377.408 1.209 20 0 GDADMN CN(c1ccncc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571124832 952545430 /nfs/dbraw/zinc/54/54/30/952545430.db2.gz VZDCHNYULSWLGQ-CYBMUJFWSA-N 0 1 377.399 1.734 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575214060 952561386 /nfs/dbraw/zinc/56/13/86/952561386.db2.gz GMNWSJWAEXANGN-SECBINFHSA-N 0 1 388.444 1.176 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575214418 952563496 /nfs/dbraw/zinc/56/34/96/952563496.db2.gz KPHVDAFZALDPPA-XYPYZODXSA-N 0 1 379.415 1.672 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001575215868 952570513 /nfs/dbraw/zinc/57/05/13/952570513.db2.gz XOMZBOXXVOHIAA-PHIMTYICSA-N 0 1 392.414 1.233 20 0 GDADMN Cc1ccccc1C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135528 952605023 /nfs/dbraw/zinc/60/50/23/952605023.db2.gz ZWBLBWVYCMKVHW-CQSZACIVSA-N 0 1 378.440 1.351 20 0 GDADMN O=C(NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571140787 952628637 /nfs/dbraw/zinc/62/86/37/952628637.db2.gz GMXHRWRJRQAEJY-AAVRWANBSA-N 0 1 379.424 1.387 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1coc(C2CC2)n1 ZINC001571141295 952632525 /nfs/dbraw/zinc/63/25/25/952632525.db2.gz JRSVXDSPOSYQGV-OAHLLOKOSA-N 0 1 379.424 1.736 20 0 GDADMN Cc1cc(N2CCOC[C@@H]2CNC(=O)c2ccccc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571142651 952644937 /nfs/dbraw/zinc/64/49/37/952644937.db2.gz ZOCZJKNWCWOQHB-HNNXBMFYSA-N 0 1 379.424 1.205 20 0 GDADMN CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC(Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571148452 952667278 /nfs/dbraw/zinc/66/72/78/952667278.db2.gz ZWFNTUZWNNCRQH-NWINJMCUSA-N 0 1 379.428 1.190 20 0 GDADMN O=C(NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571150989 952671306 /nfs/dbraw/zinc/67/13/06/952671306.db2.gz IPAHWYYPUZVOFM-VUIZKAPNSA-N 0 1 379.468 1.282 20 0 GDADMN O=C(N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2)C1CC2(CC2)C1 ZINC001571151613 952676759 /nfs/dbraw/zinc/67/67/59/952676759.db2.gz RTISRVAKXBLOPA-INIZCTEOSA-N 0 1 379.468 1.927 20 0 GDADMN O=C(N[C@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccoc1 ZINC001571154192 952689292 /nfs/dbraw/zinc/68/92/92/952689292.db2.gz ZJOWSYFOWFJAQP-VIFPVBQESA-N 0 1 379.833 1.968 20 0 GDADMN C[C@@H]1CC[C@@H](NC(=O)c2ccccc2O)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571155500 952698157 /nfs/dbraw/zinc/69/81/57/952698157.db2.gz UPMBXBSGUNYPLK-VXGBXAGGSA-N 0 1 380.412 1.150 20 0 GDADMN CC1(NC(=O)c2cccc(=O)[nH]2)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571155691 952699019 /nfs/dbraw/zinc/69/90/19/952699019.db2.gz XUVRXVXMYOYTCX-UHFFFAOYSA-N 0 1 380.412 1.151 20 0 GDADMN Cc1occc1C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571161019 952729375 /nfs/dbraw/zinc/72/93/75/952729375.db2.gz OTZOOVWCYIGAOE-CHWSQXEVSA-N 0 1 380.412 1.133 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CC1(F)F ZINC001571165280 952750065 /nfs/dbraw/zinc/75/00/65/952750065.db2.gz ASTYXALTTVFZEC-YJQGPUDQSA-N 0 1 380.424 1.805 20 0 GDADMN O=C(N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@]1(F)CCOC1 ZINC001571165445 952750564 /nfs/dbraw/zinc/75/05/64/952750564.db2.gz DGFBYHJCVNEXHB-ZBEGNZNMSA-N 0 1 380.449 1.137 20 0 GDADMN O=C(N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@]1(F)CCOC1 ZINC001571165445 952750568 /nfs/dbraw/zinc/75/05/68/952750568.db2.gz DGFBYHJCVNEXHB-ZBEGNZNMSA-N 0 1 380.449 1.137 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169391 952772435 /nfs/dbraw/zinc/77/24/35/952772435.db2.gz BFRTUBLDUGYJNU-OAHLLOKOSA-N 0 1 380.456 1.492 20 0 GDADMN CCn1cccc1C(=O)N[C@@H]1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571169649 952777035 /nfs/dbraw/zinc/77/70/35/952777035.db2.gz JLSNNNYRMGUUIF-UKRRQHHQSA-N 0 1 380.456 1.516 20 0 GDADMN O=C(C1=CCCC1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571171720 952795858 /nfs/dbraw/zinc/79/58/58/952795858.db2.gz DZJUOLUMBVWKQV-HUUCEWRRSA-N 0 1 380.456 1.584 20 0 GDADMN C[C@@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1ccon1 ZINC001571172014 952799943 /nfs/dbraw/zinc/79/99/43/952799943.db2.gz KMCRTUPLTGFVFX-RNFRBKRXSA-N 0 1 380.821 1.680 20 0 GDADMN Cc1ncoc1C(=O)N[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001571179898 952855742 /nfs/dbraw/zinc/85/57/42/952855742.db2.gz JPTSIUPDAYSDET-HNNXBMFYSA-N 0 1 381.440 1.804 20 0 GDADMN COc1cccc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1C ZINC001571182927 952871263 /nfs/dbraw/zinc/87/12/63/952871263.db2.gz JYJCKRMKRFAYGE-HNNXBMFYSA-N 0 1 381.440 1.516 20 0 GDADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cncc(F)c1 ZINC001571183331 952876339 /nfs/dbraw/zinc/87/63/39/952876339.db2.gz XLTSOOGDOZQJSS-CYBMUJFWSA-N 0 1 381.415 1.653 20 0 GDADMN C[C@@H](N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1ncccn1 ZINC001571183850 952884605 /nfs/dbraw/zinc/88/46/05/952884605.db2.gz KWNNUQHWHLONSM-MBNYWOFBSA-N 0 1 381.444 1.234 20 0 GDADMN CCc1cc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]n1 ZINC001571183957 952886224 /nfs/dbraw/zinc/88/62/24/952886224.db2.gz NJJOJBMTLATLCM-CYBMUJFWSA-N 0 1 381.444 1.254 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2ccc[nH]2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184424 952893180 /nfs/dbraw/zinc/89/31/80/952893180.db2.gz YYWBWEVDNUMJDN-GFCCVEGCSA-N 0 1 381.444 1.410 20 0 GDADMN Cc1n[nH]cc1C(=O)NC1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571187897 952910085 /nfs/dbraw/zinc/91/00/85/952910085.db2.gz CNKBWCZVEBZMSU-UHFFFAOYSA-N 0 1 381.444 1.391 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@H]2C)n1 ZINC001571188124 952912223 /nfs/dbraw/zinc/91/22/23/952912223.db2.gz GBMRMKUERJMHMO-IAQYHMDHSA-N 0 1 381.444 1.185 20 0 GDADMN Cc1ncc(C(=O)N2C[C@H](C)[C@H](CNc3nc(C)ccc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189022 952922600 /nfs/dbraw/zinc/92/26/00/952922600.db2.gz PUAJDHMCKZIJJV-GXFFZTMASA-N 0 1 381.444 1.422 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571189052 952923905 /nfs/dbraw/zinc/92/39/05/952923905.db2.gz QXZPDYDRJWSVBO-STQMWFEESA-N 0 1 381.444 1.091 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](CCNc3nc(C)ccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001571189040 952924066 /nfs/dbraw/zinc/92/40/66/952924066.db2.gz QHZQFQQFEKNMAC-CYBMUJFWSA-N 0 1 381.444 1.566 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)n1C ZINC001571189561 952930817 /nfs/dbraw/zinc/93/08/17/952930817.db2.gz XLWOBSLLVWCWEY-CHWSQXEVSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571190792 952944494 /nfs/dbraw/zinc/94/44/94/952944494.db2.gz LZHPLZSKZVTRFJ-UJKGCTCZSA-N 0 1 381.484 1.983 20 0 GDADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571193145 952951365 /nfs/dbraw/zinc/95/13/65/952951365.db2.gz YTKJLZRDMJIQEB-QQQXPLKNSA-N 0 1 381.484 1.545 20 0 GDADMN CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001571199933 953005835 /nfs/dbraw/zinc/00/58/35/953005835.db2.gz CXBYXIQTDJWXMT-CQSZACIVSA-N 0 1 382.428 1.863 20 0 GDADMN Cc1nocc1C(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571201077 953013754 /nfs/dbraw/zinc/01/37/54/953013754.db2.gz JHGIQPYHYFDSSD-MFKMUULPSA-N 0 1 382.428 1.109 20 0 GDADMN O=C(NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1F ZINC001571202480 953025856 /nfs/dbraw/zinc/02/58/56/953025856.db2.gz YJZDFLBLQBDTPX-UHFFFAOYSA-N 0 1 382.403 1.442 20 0 GDADMN Cc1ncoc1C(=O)N[C@@H]1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202663 953027544 /nfs/dbraw/zinc/02/75/44/953027544.db2.gz XCFFUGJBTQGOAJ-CHWSQXEVSA-N 0 1 382.428 1.299 20 0 GDADMN Cc1ncoc1C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571204709 953032684 /nfs/dbraw/zinc/03/26/84/953032684.db2.gz CKEURCXGQYMYAH-YPMHNXCESA-N 0 1 382.428 1.333 20 0 GDADMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C1(C2CC2)CC1 ZINC001571210190 953070193 /nfs/dbraw/zinc/07/01/93/953070193.db2.gz NRYINQQYQPFISG-IAGOWNOFSA-N 0 1 382.468 1.372 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571210581 953073135 /nfs/dbraw/zinc/07/31/35/953073135.db2.gz SVTRVDSTTRGNDF-SKDRFNHKSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571210581 953073137 /nfs/dbraw/zinc/07/31/37/953073137.db2.gz SVTRVDSTTRGNDF-SKDRFNHKSA-N 0 1 382.440 1.910 20 0 GDADMN COc1ccc(CN2CC[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1-c1nn[nH]n1 ZINC001571210659 953073888 /nfs/dbraw/zinc/07/38/88/953073888.db2.gz VLFYKJXRWGLVQT-OIPACUDHSA-N 0 1 382.468 1.612 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212240 953086108 /nfs/dbraw/zinc/08/61/08/953086108.db2.gz JWAVWNKKUYCLMJ-TZMCWYRMSA-N 0 1 382.472 1.308 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C1CC1 ZINC001571213223 953093493 /nfs/dbraw/zinc/09/34/93/953093493.db2.gz PVJQPGBVTOJLTD-BFUOFWGJSA-N 0 1 382.472 1.522 20 0 GDADMN CC1(C)CC[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571213267 953094201 /nfs/dbraw/zinc/09/42/01/953094201.db2.gz QOUAZZMOSZXTEE-VLXJIEOASA-N 0 1 382.472 1.711 20 0 GDADMN C[C@]1(CNc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001571214036 953098542 /nfs/dbraw/zinc/09/85/42/953098542.db2.gz VNPLZVPDGBFNEF-FZKQIMNGSA-N 0 1 382.472 1.309 20 0 GDADMN CN(C[C@H]1CCCN1C(=O)C1=CCCCCC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571214047 953098727 /nfs/dbraw/zinc/09/87/27/953098727.db2.gz VSENIHVHFPLKGH-OAHLLOKOSA-N 0 1 382.472 1.974 20 0 GDADMN CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571218282 953113763 /nfs/dbraw/zinc/11/37/63/953113763.db2.gz VFEDJVKGLYXUQV-ZYHUDNBSSA-N 0 1 383.378 1.531 20 0 GDADMN Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC001571218807 953119936 /nfs/dbraw/zinc/11/99/36/953119936.db2.gz DZLOGTBODIAQIC-LBPRGKRZSA-N 0 1 383.412 1.521 20 0 GDADMN O=C(CCC1CC1)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571219302 953124183 /nfs/dbraw/zinc/12/41/83/953124183.db2.gz WVSRXXLTJIWHFN-IBGZPJMESA-N 0 1 382.472 1.666 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222532 953136015 /nfs/dbraw/zinc/13/60/15/953136015.db2.gz IJJAPCUWCWRACI-NSHDSACASA-N 0 1 383.416 1.024 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)c2c(C)noc2C)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571224096 953148216 /nfs/dbraw/zinc/14/82/16/953148216.db2.gz YAZMRUFIWPJNLV-NWDGAFQWSA-N 0 1 383.416 1.049 20 0 GDADMN O=C(NC1(C2CCN(c3ccncc3-c3nn[nH]n3)CC2)CC1)[C@H]1CCOC1 ZINC001571232709 953188314 /nfs/dbraw/zinc/18/83/14/953188314.db2.gz JMHOUVHPWHPJBC-ZDUSSCGKSA-N 0 1 383.456 1.163 20 0 GDADMN CC(C)n1ccc(CN[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571233505 953192877 /nfs/dbraw/zinc/19/28/77/953192877.db2.gz WUAAVFXASWIFOH-HNNXBMFYSA-N 0 1 383.460 1.367 20 0 GDADMN C[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2F)CN1Cc1ccccc1-c1nn[nH]n1 ZINC001571239615 953241282 /nfs/dbraw/zinc/24/12/82/953241282.db2.gz NZDZDRNGSHXZAJ-DGCLKSJQSA-N 0 1 384.419 1.512 20 0 GDADMN Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n1 ZINC001571239693 953241750 /nfs/dbraw/zinc/24/17/50/953241750.db2.gz QDGZVSIGXUOMHN-CYBMUJFWSA-N 0 1 384.419 1.289 20 0 GDADMN Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n1 ZINC001571239693 953241755 /nfs/dbraw/zinc/24/17/55/953241755.db2.gz QDGZVSIGXUOMHN-CYBMUJFWSA-N 0 1 384.419 1.289 20 0 GDADMN Cc1nc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)sc1C ZINC001571244704 953266459 /nfs/dbraw/zinc/26/64/59/953266459.db2.gz FRRJKBHDBWEEQA-HAQNSBGRSA-N 0 1 384.469 1.377 20 0 GDADMN Cc1ncc(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)s1 ZINC001571245147 953270575 /nfs/dbraw/zinc/27/05/75/953270575.db2.gz OTCVNVMAQSSKDR-GFCCVEGCSA-N 0 1 384.469 1.734 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)c1ccncn1 ZINC001571245805 953277059 /nfs/dbraw/zinc/27/70/59/953277059.db2.gz ZDMGCKKYBPFSCI-LBPRGKRZSA-N 0 1 384.469 1.455 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)c1ccncn1 ZINC001571245805 953277061 /nfs/dbraw/zinc/27/70/61/953277061.db2.gz ZDMGCKKYBPFSCI-LBPRGKRZSA-N 0 1 384.469 1.455 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001571246303 953281486 /nfs/dbraw/zinc/28/14/86/953281486.db2.gz XSIYGCIDRLPEEI-DGCLKSJQSA-N 0 1 384.469 1.347 20 0 GDADMN O=C(N[C@H]1C[C@@H](NCc2cscn2)C12CCC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247670 953284157 /nfs/dbraw/zinc/28/41/57/953284157.db2.gz BXNYMCPWRGIHLC-KGLIPLIRSA-N 0 1 384.469 1.482 20 0 GDADMN Cc1nnsc1C(=O)NC[C@H]1CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571248371 953292336 /nfs/dbraw/zinc/29/23/36/953292336.db2.gz RWGJPJQICGSEBY-CYBMUJFWSA-N 0 1 384.469 1.421 20 0 GDADMN CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571248454 953293573 /nfs/dbraw/zinc/29/35/73/953293573.db2.gz UMKKPBCHAIUXGU-NJAFHUGGSA-N 0 1 384.484 1.762 20 0 GDADMN Cc1ncc(CN[C@@H](C)[C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248575 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C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000581251001 968473947 /nfs/dbraw/zinc/47/39/47/968473947.db2.gz SWHMATQOFYQONI-ZHALLVOQSA-N 0 1 387.480 1.794 20 0 GDADMN COC[C@]1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000635502355 968543605 /nfs/dbraw/zinc/54/36/05/968543605.db2.gz DTNJSGLRCMKJDH-SFHVURJKSA-N 0 1 383.489 1.154 20 0 GDADMN COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000635520577 968549378 /nfs/dbraw/zinc/54/93/78/968549378.db2.gz HIVZCWDIDYSTOW-CDXJDZJCSA-N 0 1 389.496 1.887 20 0 GDADMN C[C@](CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)(C(=O)[O-])c1ccccc1 ZINC000652094046 968619578 /nfs/dbraw/zinc/61/95/78/968619578.db2.gz XHDFQYWEEWGQIP-WAOWUJCRSA-N 0 1 389.496 1.972 20 0 GDADMN C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)c2)CC1 ZINC000653305765 968647077 /nfs/dbraw/zinc/64/70/77/968647077.db2.gz VWDMVRDQHYVSIT-OAQYLSRUSA-N 0 1 385.464 1.753 20 0 GDADMN CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(CC)(CC)C(=O)[O-])CC2)CC1 ZINC000653306592 968649161 /nfs/dbraw/zinc/64/91/61/968649161.db2.gz RDAOAVJCSQGECY-UHFFFAOYSA-N 0 1 381.517 1.670 20 0 GDADMN COc1cc(N[C@H]2CCC[N@@H+]([C@@H]3CCN(CC(=O)[O-])C3=O)C2)cc(OC)c1 ZINC000662211857 968753350 /nfs/dbraw/zinc/75/33/50/968753350.db2.gz TURTYUGMZXNXFF-SUMWQHHRSA-N 0 1 377.441 1.266 20 0 GDADMN COc1cc(N[C@H]2CCC[N@H+]([C@@H]3CCN(CC(=O)[O-])C3=O)C2)cc(OC)c1 ZINC000662211857 968753358 /nfs/dbraw/zinc/75/33/58/968753358.db2.gz TURTYUGMZXNXFF-SUMWQHHRSA-N 0 1 377.441 1.266 20 0 GDADMN CS(=O)(=O)c1cccc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000773909613 969165086 /nfs/dbraw/zinc/16/50/86/969165086.db2.gz IBXZUPTXLMYSQG-MAZHCROVSA-N 0 1 380.466 1.746 20 0 GDADMN Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000873642856 969356746 /nfs/dbraw/zinc/35/67/46/969356746.db2.gz CTASODCRTHLUJV-YTQUADARSA-N 0 1 398.507 1.966 20 0 GDADMN C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC000902085777 969516034 /nfs/dbraw/zinc/51/60/34/969516034.db2.gz XOPITUUFHPOQNQ-ZEVQVBBLSA-N 0 1 383.448 1.923 20 0 GDADMN C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC000902085777 969516036 /nfs/dbraw/zinc/51/60/36/969516036.db2.gz XOPITUUFHPOQNQ-ZEVQVBBLSA-N 0 1 383.448 1.923 20 0 GDADMN CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000902700563 969557755 /nfs/dbraw/zinc/55/77/55/969557755.db2.gz DPUBWRNJISHCPB-HNNXBMFYSA-N 0 1 381.517 1.036 20 0 GDADMN O=C([O-])C[C@H]1CCCC[N@H+]1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001327240606 969706370 /nfs/dbraw/zinc/70/63/70/969706370.db2.gz MLPTYPFIXOZRLP-GOSISDBHSA-N 0 1 393.528 1.957 20 0 GDADMN O=C([O-])c1ccnc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC001605844857 972583682 /nfs/dbraw/zinc/58/36/82/972583682.db2.gz HUDMVWXAUDPUAX-IRXDYDNUSA-N 0 1 384.436 1.784 20 0 GDADMN 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C[C@H]1C[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000398169788 973078224 /nfs/dbraw/zinc/07/82/24/973078224.db2.gz FFCLVVLCESAEKI-WCQYABFASA-N 0 1 381.479 1.783 20 0 GDADMN C[C@H]1C[C@@H](NS(=O)(=O)c2scnc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000398169788 973078233 /nfs/dbraw/zinc/07/82/33/973078233.db2.gz FFCLVVLCESAEKI-WCQYABFASA-N 0 1 381.479 1.783 20 0 GDADMN C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C(=O)[O-] ZINC001603409607 973083395 /nfs/dbraw/zinc/08/33/95/973083395.db2.gz KHGKBHCUPWAWOF-GOEBONIOSA-N 0 1 383.489 1.641 20 0 GDADMN COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC000399618066 973231143 /nfs/dbraw/zinc/23/11/43/973231143.db2.gz ZSGVCHJOOWWFHV-NSHDSACASA-N 0 1 394.852 1.566 20 0 GDADMN COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC000399618066 973231149 /nfs/dbraw/zinc/23/11/49/973231149.db2.gz ZSGVCHJOOWWFHV-NSHDSACASA-N 0 1 394.852 1.566 20 0 GDADMN 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UICUKIVNUZYHCE-INIZCTEOSA-N 0 1 384.465 1.828 20 0 GDADMN O=C(CC[C@@H]1CCOC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822950655 606276390 /nfs/dbraw/zinc/27/63/90/606276390.db2.gz WOQPCZPMTLALIK-QGZVFWFLSA-N 0 1 384.484 1.718 20 0 GDADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000822637967 606278694 /nfs/dbraw/zinc/27/86/94/606278694.db2.gz VFPYFPZECJTGHD-UHFFFAOYSA-N 0 1 394.483 1.147 20 0 GDADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1 ZINC000821160829 606289202 /nfs/dbraw/zinc/28/92/02/606289202.db2.gz QYVFAOYVGXZXPS-SNVBAGLBSA-N 0 1 377.474 1.103 20 0 GDADMN CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821160829 606289204 /nfs/dbraw/zinc/28/92/04/606289204.db2.gz QYVFAOYVGXZXPS-SNVBAGLBSA-N 0 1 377.474 1.103 20 0 GDADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821160829 606289206 /nfs/dbraw/zinc/28/92/06/606289206.db2.gz QYVFAOYVGXZXPS-SNVBAGLBSA-N 0 1 377.474 1.103 20 0 GDADMN 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606570863 /nfs/dbraw/zinc/57/08/63/606570863.db2.gz QQOYEZQUFOFWMJ-UHFFFAOYSA-N 0 1 382.409 1.652 20 0 GDADMN CC(C)(C)c1nc([C@H]2CN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000819966214 606575236 /nfs/dbraw/zinc/57/52/36/606575236.db2.gz YVUCQZCSBCMXGD-CQSZACIVSA-N 0 1 396.455 1.425 20 0 GDADMN CC(C)(C)c1nnc([C@H]2CN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CCO2)[nH]1 ZINC000819966214 606575238 /nfs/dbraw/zinc/57/52/38/606575238.db2.gz YVUCQZCSBCMXGD-CQSZACIVSA-N 0 1 396.455 1.425 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC(=O)OC2CCCCC2)cc1-c1nn[nH]n1 ZINC000821979818 606585180 /nfs/dbraw/zinc/58/51/80/606585180.db2.gz YPGJOMWLHWADNY-UHFFFAOYSA-N 0 1 392.441 1.295 20 0 GDADMN CC[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C[C@@H](C)O ZINC000820988284 606596949 /nfs/dbraw/zinc/59/69/49/606596949.db2.gz DSHIDGQBVLSBHI-YPMHNXCESA-N 0 1 377.424 1.315 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cc1-c1nn[nH]n1 ZINC000821979816 606600259 /nfs/dbraw/zinc/60/02/59/606600259.db2.gz 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Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000822432051 606872577 /nfs/dbraw/zinc/87/25/77/606872577.db2.gz UWBPUMOJMGVLLK-UHFFFAOYSA-N 0 1 396.436 1.865 20 0 GDADMN C[C@@H](COc1ccccc1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820291962 606885810 /nfs/dbraw/zinc/88/58/10/606885810.db2.gz BDGUFYAPBGTHNV-JTQLQIEISA-N 0 1 395.391 1.891 20 0 GDADMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820803586 606891710 /nfs/dbraw/zinc/89/17/10/606891710.db2.gz CQXSUKGAWAWQNW-GXSJLCMTSA-N 0 1 384.412 1.002 20 0 GDADMN CC(C)[N@H+]1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820752591 606893575 /nfs/dbraw/zinc/89/35/75/606893575.db2.gz OQPRDBSWMSAXTF-RNCFNFMXSA-N 0 1 386.428 1.152 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000822535161 606904291 /nfs/dbraw/zinc/90/42/91/606904291.db2.gz IILUBUJZUQAJPN-RISCZKNCSA-N 0 1 381.440 1.771 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000822535161 606904293 /nfs/dbraw/zinc/90/42/93/606904293.db2.gz IILUBUJZUQAJPN-RISCZKNCSA-N 0 1 381.440 1.771 20 0 GDADMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821936942 606964633 /nfs/dbraw/zinc/96/46/33/606964633.db2.gz IFRQONBQCPPCKN-CYBMUJFWSA-N 0 1 382.465 1.300 20 0 GDADMN CN1CCN(c2cccc(F)c2-c2nn[nH]n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000821628278 606969600 /nfs/dbraw/zinc/96/96/00/606969600.db2.gz DZSNFLQELJZPHV-GFCCVEGCSA-N 0 1 391.451 1.651 20 0 GDADMN NC(=O)[C@@H](NCC[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850846 606987470 /nfs/dbraw/zinc/98/74/70/606987470.db2.gz RVTLXUZQXAPQLG-PBHICJAKSA-N 0 1 380.408 1.213 20 0 GDADMN O=S(=O)(N[C@@H]1CCCc2c[nH]nc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573519 607006611 /nfs/dbraw/zinc/00/66/11/607006611.db2.gz VYZUOGZUTHDPCZ-LLVKDONJSA-N 0 1 381.368 1.224 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1-c1nn[nH]n1 ZINC000821970464 607159888 /nfs/dbraw/zinc/15/98/88/607159888.db2.gz OCGKYIXXPSHZTB-BMLIUANNSA-N 0 1 390.469 1.456 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)c2cccc(C)c2)cc1-c1nn[nH]n1 ZINC000821979020 607162566 /nfs/dbraw/zinc/16/25/66/607162566.db2.gz OARPRQHEFRWYOU-CYBMUJFWSA-N 0 1 386.437 1.461 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cc(F)c(Cl)cc1Cl ZINC000820334546 607205860 /nfs/dbraw/zinc/20/58/60/607205860.db2.gz NHANHIIRAVZDGP-ZCFIWIBFSA-N 0 1 385.190 1.782 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(SCc2cccnc2)cc1 ZINC000823136223 607206363 /nfs/dbraw/zinc/20/63/63/607206363.db2.gz PAUOTIJKWABTON-UHFFFAOYSA-N 0 1 393.436 1.784 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000823123052 607207825 /nfs/dbraw/zinc/20/78/25/607207825.db2.gz MBXJYXRHWFEHIS-GFCCVEGCSA-N 0 1 388.819 1.182 20 0 GDADMN Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1Oc1cccnc1 ZINC000822208592 607210815 /nfs/dbraw/zinc/21/08/15/607210815.db2.gz YZVDEPWFNXFIBY-UHFFFAOYSA-N 0 1 377.368 1.593 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(F)c(Br)c1 ZINC000821995031 607215325 /nfs/dbraw/zinc/21/53/25/607215325.db2.gz VCOLQTXBXZSZMY-SSDOTTSWSA-N 0 1 395.196 1.237 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000823136306 607215847 /nfs/dbraw/zinc/21/58/47/607215847.db2.gz UVADQGPACWQGNS-UHFFFAOYSA-N 0 1 395.408 1.155 20 0 GDADMN Cc1ccc(CCN(Cc2ccco2)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822236167 607220149 /nfs/dbraw/zinc/22/01/49/607220149.db2.gz MOZMLLHISGWYMY-UHFFFAOYSA-N 0 1 392.423 1.631 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(-c2cccnc2)cc1 ZINC000820333580 607221117 /nfs/dbraw/zinc/22/11/17/607221117.db2.gz DHLBTMQWUCKBLB-GFCCVEGCSA-N 0 1 375.396 1.398 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2oc(=O)n3C)cc1-c1nn[nH]n1 ZINC000826229352 607811732 /nfs/dbraw/zinc/81/17/32/607811732.db2.gz ATLXIMDTCHUZFQ-UHFFFAOYSA-N 0 1 399.392 1.386 20 0 GDADMN O=S(=O)(CCNCCOc1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485286 607815149 /nfs/dbraw/zinc/81/51/49/607815149.db2.gz JPMRMOPBPTYDFG-UHFFFAOYSA-N 0 1 391.428 1.448 20 0 GDADMN Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CCN([C@H]2CCOC2)CC1 ZINC000826375216 607849029 /nfs/dbraw/zinc/84/90/29/607849029.db2.gz DFOJPOCTGVPTAW-NSHDSACASA-N 0 1 387.394 1.604 20 0 GDADMN CN(CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000825892137 607859584 /nfs/dbraw/zinc/85/95/84/607859584.db2.gz GYPFRZNPCYCYST-BBRMVZONSA-N 0 1 396.455 1.084 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000826229850 607875769 /nfs/dbraw/zinc/87/57/69/607875769.db2.gz UGFUFMHKZHVEDS-LLVKDONJSA-N 0 1 390.469 1.578 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000826175417 607914676 /nfs/dbraw/zinc/91/46/76/607914676.db2.gz DMDZNRYAGIRNCQ-ZIAGYGMSSA-N 0 1 388.472 1.585 20 0 GDADMN CC[C@@H](OC1CCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825152858 608019445 /nfs/dbraw/zinc/01/94/45/608019445.db2.gz DKIMDRJRYTUOJF-CYBMUJFWSA-N 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ZINC001571274132 945693130 /nfs/dbraw/zinc/69/31/30/945693130.db2.gz CBGYCSWOXRUNSG-LLVKDONJSA-N 0 1 386.909 1.919 20 0 GDADMN CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001571274132 945693133 /nfs/dbraw/zinc/69/31/33/945693133.db2.gz CBGYCSWOXRUNSG-LLVKDONJSA-N 0 1 386.909 1.919 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001571278493 945752889 /nfs/dbraw/zinc/75/28/89/945752889.db2.gz OGJSPKXPBGODEO-APWZRJJASA-N 0 1 386.456 1.135 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279865 945790313 /nfs/dbraw/zinc/79/03/13/945790313.db2.gz YCKUJGLTYNTSKU-ZYHUDNBSSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279865 945790317 /nfs/dbraw/zinc/79/03/17/945790317.db2.gz YCKUJGLTYNTSKU-ZYHUDNBSSA-N 0 1 387.444 1.855 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)on1 ZINC001571281995 945822826 /nfs/dbraw/zinc/82/28/26/945822826.db2.gz QVAIEJSXXWPWRZ-PWSUYJOCSA-N 0 1 387.469 1.723 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)on1 ZINC001571281995 945822839 /nfs/dbraw/zinc/82/28/39/945822839.db2.gz QVAIEJSXXWPWRZ-PWSUYJOCSA-N 0 1 387.469 1.723 20 0 GDADMN O=C(c1ncccc1F)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571282162 945830089 /nfs/dbraw/zinc/83/00/89/945830089.db2.gz FLGMAMQYISBHHS-LLVKDONJSA-N 0 1 387.444 1.857 20 0 GDADMN O=C(c1ncccc1F)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282162 945830096 /nfs/dbraw/zinc/83/00/96/945830096.db2.gz FLGMAMQYISBHHS-LLVKDONJSA-N 0 1 387.444 1.857 20 0 GDADMN O=C(c1cncc(F)c1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282619 945854131 /nfs/dbraw/zinc/85/41/31/945854131.db2.gz LYFVVROXRPNQMR-ZDUSSCGKSA-N 0 1 387.444 1.857 20 0 GDADMN O=C(c1cncc(F)c1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282619 945854151 /nfs/dbraw/zinc/85/41/51/945854151.db2.gz LYFVVROXRPNQMR-ZDUSSCGKSA-N 0 1 387.444 1.857 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001571282943 945868877 /nfs/dbraw/zinc/86/88/77/945868877.db2.gz WIOBRQKVSPTRLH-JOCQHMNTSA-N 0 1 387.463 1.939 20 0 GDADMN Cc1ncc(C(=O)N2C[C@@H](C)[C@@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)[nH]1 ZINC001571283393 945883948 /nfs/dbraw/zinc/88/39/48/945883948.db2.gz DXUMBPISKLYREQ-OQPBUACISA-N 0 1 387.835 1.519 20 0 GDADMN Cc1ncc(C(=O)N2C[C@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)[C@@H](C)C2)[nH]1 ZINC001571283394 945883981 /nfs/dbraw/zinc/88/39/81/945883981.db2.gz DXUMBPISKLYREQ-SDBXPKJASA-N 0 1 387.835 1.519 20 0 GDADMN Cc1nonc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289882 946019763 /nfs/dbraw/zinc/01/97/63/946019763.db2.gz OTNCORTWOWXUKJ-NSHDSACASA-N 0 1 388.457 1.262 20 0 GDADMN Cc1nonc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289882 946019779 /nfs/dbraw/zinc/01/97/79/946019779.db2.gz OTNCORTWOWXUKJ-NSHDSACASA-N 0 1 388.457 1.262 20 0 GDADMN Cc1nonc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289882 946019790 /nfs/dbraw/zinc/01/97/90/946019790.db2.gz OTNCORTWOWXUKJ-NSHDSACASA-N 0 1 388.457 1.262 20 0 GDADMN Cc1nonc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289882 946019803 /nfs/dbraw/zinc/01/98/03/946019803.db2.gz OTNCORTWOWXUKJ-NSHDSACASA-N 0 1 388.457 1.262 20 0 GDADMN O=C([C@H]1CCCCO1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C1 ZINC001571290030 946024813 /nfs/dbraw/zinc/02/48/13/946024813.db2.gz SXKXUACEYSUKEP-VNHYZAJKSA-N 0 1 388.497 1.388 20 0 GDADMN O=C([C@H]1CCCCO1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571290030 946024825 /nfs/dbraw/zinc/02/48/25/946024825.db2.gz SXKXUACEYSUKEP-VNHYZAJKSA-N 0 1 388.497 1.388 20 0 GDADMN O=C([C@H]1CCCCO1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571290030 946024837 /nfs/dbraw/zinc/02/48/37/946024837.db2.gz SXKXUACEYSUKEP-VNHYZAJKSA-N 0 1 388.497 1.388 20 0 GDADMN O=C([C@H]1CCCCO1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001571290030 946024847 /nfs/dbraw/zinc/02/48/47/946024847.db2.gz SXKXUACEYSUKEP-VNHYZAJKSA-N 0 1 388.497 1.388 20 0 GDADMN O=C([C@H]1CCCCO1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001571290030 946024858 /nfs/dbraw/zinc/02/48/58/946024858.db2.gz SXKXUACEYSUKEP-VNHYZAJKSA-N 0 1 388.497 1.388 20 0 GDADMN C[C@@H]1CN(C(=O)c2cnon2)CC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290093 946027776 /nfs/dbraw/zinc/02/77/76/946027776.db2.gz VDCRMTGDFKGYFO-GHMZBOCLSA-N 0 1 388.457 1.199 20 0 GDADMN C[C@@H]1CN(C(=O)c2cnon2)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290093 946027785 /nfs/dbraw/zinc/02/77/85/946027785.db2.gz VDCRMTGDFKGYFO-GHMZBOCLSA-N 0 1 388.457 1.199 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1(F)CCCC1 ZINC001571290151 946032893 /nfs/dbraw/zinc/03/28/93/946032893.db2.gz WFVURGRZUVEZKT-JOCQHMNTSA-N 0 1 388.451 1.448 20 0 GDADMN Cc1ccc(OCCNCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822263636 946037183 /nfs/dbraw/zinc/03/71/83/946037183.db2.gz WGHFZFDSHURIGE-UHFFFAOYSA-N 0 1 387.465 1.617 20 0 GDADMN Cc1ccc2nc(CNC(=O)NCCOc3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000822271253 946040602 /nfs/dbraw/zinc/04/06/02/946040602.db2.gz SYKQNMGAQMXVMN-UHFFFAOYSA-N 0 1 392.423 1.930 20 0 GDADMN C[C@H]1CC[C@H](NC(=O)c2occc2Cl)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571290936 946064203 /nfs/dbraw/zinc/06/42/03/946064203.db2.gz UYMYUVLYNQQFPJ-UWVGGRQHSA-N 0 1 388.819 1.690 20 0 GDADMN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC(F)(F)C1 ZINC001571294891 946147838 /nfs/dbraw/zinc/14/78/38/946147838.db2.gz PGCDQPDKYYLBCQ-WCQGTBRESA-N 0 1 390.398 1.176 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001571298551 946222057 /nfs/dbraw/zinc/22/20/57/946222057.db2.gz ASYHXGATLNYHHX-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001571298551 946222070 /nfs/dbraw/zinc/22/20/70/946222070.db2.gz ASYHXGATLNYHHX-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298965 946234953 /nfs/dbraw/zinc/23/49/53/946234953.db2.gz MPQUSOJQLQJEHB-HRCADAONSA-N 0 1 390.451 1.204 20 0 GDADMN Cc1nsc(N[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1-c1nn[n-]n1 ZINC001571299151 946240091 /nfs/dbraw/zinc/24/00/91/946240091.db2.gz JEQFKBFHYVFMOV-GFCCVEGCSA-N 0 1 390.517 1.519 20 0 GDADMN Cc1nsc(N[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)c1-c1nn[n-]n1 ZINC001571299151 946240104 /nfs/dbraw/zinc/24/01/04/946240104.db2.gz JEQFKBFHYVFMOV-GFCCVEGCSA-N 0 1 390.517 1.519 20 0 GDADMN C[C@H]1COCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299319 946246606 /nfs/dbraw/zinc/24/66/06/946246606.db2.gz KLHRTLADISXJBC-WFASDCNBSA-N 0 1 390.513 1.681 20 0 GDADMN Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571299428 946252250 /nfs/dbraw/zinc/25/22/50/946252250.db2.gz QXQZHOFVGZDNEX-HRCADAONSA-N 0 1 390.451 1.204 20 0 GDADMN O=C([C@@H]1CCc2cccnc21)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571299532 946253943 /nfs/dbraw/zinc/25/39/43/946253943.db2.gz SZDJEBCAKQYFRT-UKRRQHHQSA-N 0 1 390.451 1.069 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cncnc1C1CC1 ZINC001571299709 946258638 /nfs/dbraw/zinc/25/86/38/946258638.db2.gz ZKHZZTWQXVXWSA-INIZCTEOSA-N 0 1 390.451 1.538 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C[C@@H]1c1ccccc1 ZINC001571299777 946262378 /nfs/dbraw/zinc/26/23/78/946262378.db2.gz UQZGGELXDBVIGT-MDOVXXIYSA-N 0 1 390.451 1.545 20 0 GDADMN Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccncc2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299767 946262436 /nfs/dbraw/zinc/26/24/36/946262436.db2.gz UHIRPJWJQSXRAW-GASCZTMLSA-N 0 1 390.451 1.767 20 0 GDADMN Cc1cc(NC[C@H]2CCN(C(=O)C3(C(F)F)CCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571301746 946282438 /nfs/dbraw/zinc/28/24/38/946282438.db2.gz BWEYRIWJFIHVSZ-GFCCVEGCSA-N 0 1 391.426 1.688 20 0 GDADMN O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(F)(F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571302085 946293242 /nfs/dbraw/zinc/29/32/42/946293242.db2.gz NQSLUGPMHBKGCM-YHWZYXNKSA-N 0 1 391.426 1.965 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571302821 946316027 /nfs/dbraw/zinc/31/60/27/946316027.db2.gz GPPMCKFXPOFJLQ-DZGCQCFKSA-N 0 1 391.439 1.101 20 0 GDADMN Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2occ3c2CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303214 946328824 /nfs/dbraw/zinc/32/88/24/946328824.db2.gz JWUSOQHFWQNGJD-KBPBESRZSA-N 0 1 391.435 1.755 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)cc1-c1nn[nH]n1 ZINC001571307245 946419966 /nfs/dbraw/zinc/41/99/66/946419966.db2.gz AUSGNUVEVPELPO-NSHDSACASA-N 0 1 392.363 1.121 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571307578 946424665 /nfs/dbraw/zinc/42/46/65/946424665.db2.gz FNOFJTIGHDRQNV-GHMZBOCLSA-N 0 1 392.414 1.020 20 0 GDADMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001571311300 946484900 /nfs/dbraw/zinc/48/49/00/946484900.db2.gz VSODOYHHKUXFMJ-RTBURBONSA-N 0 1 392.463 1.481 20 0 GDADMN C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571314056 946538950 /nfs/dbraw/zinc/53/89/50/946538950.db2.gz ZGBHJFKHXUWTJC-ZBFHGGJFSA-N 0 1 392.467 1.218 20 0 GDADMN Cc1ccc(CC(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cn1 ZINC001571314724 946543097 /nfs/dbraw/zinc/54/30/97/946543097.db2.gz BHUJLGGESWKENE-MRXNPFEDSA-N 0 1 392.467 1.341 20 0 GDADMN Cc1cc(C)nc(C(=O)N2CC[C@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571315651 946557413 /nfs/dbraw/zinc/55/74/13/946557413.db2.gz NDMWBGUNVBGSDR-OAHLLOKOSA-N 0 1 392.467 1.872 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315851 946561244 /nfs/dbraw/zinc/56/12/44/946561244.db2.gz PTHUIILPEUIRMK-ACJLOTCBSA-N 0 1 392.467 1.279 20 0 GDADMN Cc1ccc(CC(=O)N2C[C@H](C)[C@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571315860 946561899 /nfs/dbraw/zinc/56/18/99/946561899.db2.gz PUKCKFWURRICJV-XJKSGUPXSA-N 0 1 392.467 1.136 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cc(C)n1 ZINC001571316161 946569048 /nfs/dbraw/zinc/56/90/48/946569048.db2.gz VFKSWDSJWCEZHL-ADLMAVQZSA-N 0 1 392.467 1.576 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316255 946572153 /nfs/dbraw/zinc/57/21/53/946572153.db2.gz XOVJNIHNJJSGDX-CQSZACIVSA-N 0 1 392.467 1.526 20 0 GDADMN Cc1ccncc1CN1CC2(C1)CCN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CC2 ZINC001571316369 946574486 /nfs/dbraw/zinc/57/44/86/946574486.db2.gz AXLSAJMUNGHVKC-UHFFFAOYSA-N 0 1 392.467 1.636 20 0 GDADMN Cc1cnccc1CC(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571316653 946585128 /nfs/dbraw/zinc/58/51/28/946585128.db2.gz JGIGXUWGNBAJBB-UHFFFAOYSA-N 0 1 392.467 1.635 20 0 GDADMN Cc1nsc(N2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1-c1nn[n-]n1 ZINC001571317624 946616070 /nfs/dbraw/zinc/61/60/70/946616070.db2.gz OSHWPVJIAQTQLI-AWEZNQCLSA-N 0 1 392.533 1.257 20 0 GDADMN CC1CC(CS(=O)(=O)N(CCN(C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571317684 946619200 /nfs/dbraw/zinc/61/92/00/946619200.db2.gz QUIKIKCCKLWBMK-UHFFFAOYSA-N 0 1 392.529 1.606 20 0 GDADMN C[C@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599911 946852490 /nfs/dbraw/zinc/85/24/90/946852490.db2.gz URZHEGAVVWNPLS-XJKSGUPXSA-N 0 1 394.501 1.006 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573593005 947358924 /nfs/dbraw/zinc/35/89/24/947358924.db2.gz HNIXWFRLTWDXMY-DOMZBBRYSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573594870 947410335 /nfs/dbraw/zinc/41/03/35/947410335.db2.gz DCWLFSMWMSHPKS-DOMZBBRYSA-N 0 1 392.479 1.597 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573595505 947421367 /nfs/dbraw/zinc/42/13/67/947421367.db2.gz GMLHJMVXULEYBK-AAEUAGOBSA-N 0 1 378.502 1.273 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573595505 947421374 /nfs/dbraw/zinc/42/13/74/947421374.db2.gz GMLHJMVXULEYBK-AAEUAGOBSA-N 0 1 378.502 1.273 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573598294 947442237 /nfs/dbraw/zinc/44/22/37/947442237.db2.gz PQYAMLAVEGFATN-WMLDXEAASA-N 0 1 380.456 1.357 20 0 GDADMN C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573603793 947497087 /nfs/dbraw/zinc/49/70/87/947497087.db2.gz JWDAPRWSACLETP-LBPRGKRZSA-N 0 1 380.518 1.521 20 0 GDADMN C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573603793 947497092 /nfs/dbraw/zinc/49/70/92/947497092.db2.gz JWDAPRWSACLETP-LBPRGKRZSA-N 0 1 380.518 1.521 20 0 GDADMN C[C@H](C(=O)N(C)CCOCCN(C)c1ccncc1-c1nn[nH]n1)C1CCC1 ZINC001573605755 947534753 /nfs/dbraw/zinc/53/47/53/947534753.db2.gz ZISRGKXOMSMOML-AWEZNQCLSA-N 0 1 387.488 1.609 20 0 GDADMN C[C@H]([C@H](C)C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573607167 947540703 /nfs/dbraw/zinc/54/07/03/947540703.db2.gz GIGYDFPQGBAGKE-UONOGXRCSA-N 0 1 389.504 1.235 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573627434 947723883 /nfs/dbraw/zinc/72/38/83/947723883.db2.gz BHOIHWMMDUEXEU-WCQYABFASA-N 0 1 384.469 1.347 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573628046 947743248 /nfs/dbraw/zinc/74/32/48/947743248.db2.gz HRANHNIRNWCWKY-NWDGAFQWSA-N 0 1 392.427 1.302 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573367474 947760435 /nfs/dbraw/zinc/76/04/35/947760435.db2.gz DAYCNZGRUJHZQD-WBMJQRKESA-N 0 1 388.447 1.844 20 0 GDADMN Cc1cc(CC(=O)O[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)n[nH]1 ZINC000826266072 947768485 /nfs/dbraw/zinc/76/84/85/947768485.db2.gz AMUMWVLDTAEMOW-OAHLLOKOSA-N 0 1 381.396 1.180 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573629250 947775916 /nfs/dbraw/zinc/77/59/16/947775916.db2.gz MZDSLIGLDQSLKH-UONOGXRCSA-N 0 1 384.488 1.768 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573374155 947807121 /nfs/dbraw/zinc/80/71/21/947807121.db2.gz NADCVJJOKKGXJT-LRDDRELGSA-N 0 1 385.472 1.400 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573639738 947848986 /nfs/dbraw/zinc/84/89/86/947848986.db2.gz BYSWJVQAHCCYNU-GDBMZVCRSA-N 0 1 384.488 1.539 20 0 GDADMN CC(=O)CCCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573380905 947865280 /nfs/dbraw/zinc/86/52/80/947865280.db2.gz JSYWNHLZYQHOGF-UHFFFAOYSA-N 0 1 376.486 1.672 20 0 GDADMN CC(=O)CCCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573380905 947865285 /nfs/dbraw/zinc/86/52/85/947865285.db2.gz JSYWNHLZYQHOGF-UHFFFAOYSA-N 0 1 376.486 1.672 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573383146 947889681 /nfs/dbraw/zinc/88/96/81/947889681.db2.gz OFDBAJXYJZLXDV-TZMCWYRMSA-N 0 1 390.513 1.872 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573383146 947889689 /nfs/dbraw/zinc/88/96/89/947889689.db2.gz OFDBAJXYJZLXDV-TZMCWYRMSA-N 0 1 390.513 1.872 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573384168 947899799 /nfs/dbraw/zinc/89/97/99/947899799.db2.gz IHONWVJEVCTCNJ-KBMXLJTQSA-N 0 1 383.456 1.555 20 0 GDADMN C[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccn1 ZINC001573652642 947944337 /nfs/dbraw/zinc/94/43/37/947944337.db2.gz FSNSFLMGOHFDQS-RISCZKNCSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccn1 ZINC001573652642 947944345 /nfs/dbraw/zinc/94/43/45/947944345.db2.gz FSNSFLMGOHFDQS-RISCZKNCSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573655187 947974243 /nfs/dbraw/zinc/97/42/43/947974243.db2.gz WJTWTXYUEKNGSN-NXEZZACHSA-N 0 1 382.419 1.313 20 0 GDADMN Cc1onc(CC(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1-c1nn[n-]n1 ZINC000826343544 947992319 /nfs/dbraw/zinc/99/23/19/947992319.db2.gz FSQHXAGXPXFSSB-GFCCVEGCSA-N 0 1 383.412 1.061 20 0 GDADMN C[C@@H](C(=O)N[C@@]1(CO)CCCN(Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573664256 948050858 /nfs/dbraw/zinc/05/08/58/948050858.db2.gz SNMFWWQRFBZYGI-VLIAUNLRSA-N 0 1 384.484 1.356 20 0 GDADMN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573664354 948052622 /nfs/dbraw/zinc/05/26/22/948052622.db2.gz UHEXPAVIKBZOHE-IYXRBSQSSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573664354 948052629 /nfs/dbraw/zinc/05/26/29/948052629.db2.gz UHEXPAVIKBZOHE-IYXRBSQSSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573670341 948102175 /nfs/dbraw/zinc/10/21/75/948102175.db2.gz AYVKKARVASQFHA-KDOFPFPSSA-N 0 1 377.452 1.756 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573672206 948109511 /nfs/dbraw/zinc/10/95/11/948109511.db2.gz IENFEVIORQDZRU-DGCLKSJQSA-N 0 1 386.485 1.156 20 0 GDADMN C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573677484 948138675 /nfs/dbraw/zinc/13/86/75/948138675.db2.gz AZKLRAAVALXITM-JQWIXIFHSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[NH+]1CCCCCC1 ZINC001573679264 948160464 /nfs/dbraw/zinc/16/04/64/948160464.db2.gz KKJLNCYDJLUVQR-CYBMUJFWSA-N 0 1 389.529 1.493 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CCC1 ZINC001573680499 948180521 /nfs/dbraw/zinc/18/05/21/948180521.db2.gz OFKCRNCVFWFZBZ-APPZFPTMSA-N 0 1 385.881 1.302 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@@H](C)c1ccsc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573680658 948183835 /nfs/dbraw/zinc/18/38/35/948183835.db2.gz PCUZUIIZYPRDOO-WCQYABFASA-N 0 1 386.485 1.497 20 0 GDADMN NC(=O)CC[C@H]1CCCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826390989 948198914 /nfs/dbraw/zinc/19/89/14/948198914.db2.gz STDGQKIIPIYZOT-RHSMWYFYSA-N 0 1 397.483 1.340 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CCC1 ZINC001573690618 948226903 /nfs/dbraw/zinc/22/69/03/948226903.db2.gz FKRCGBRFJWMZRQ-IONNQARKSA-N 0 1 385.881 1.302 20 0 GDADMN O=C(CCc1nc[nH]n1)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000826409472 948244719 /nfs/dbraw/zinc/24/47/19/948244719.db2.gz AMWXPIVEWXJGJD-UHFFFAOYSA-N 0 1 384.791 1.395 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(C)C ZINC001573693283 948281602 /nfs/dbraw/zinc/28/16/02/948281602.db2.gz SFDXAFLPOPPHFY-HTQZYQBOSA-N 0 1 387.897 1.548 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)C(C)(F)F ZINC001573693844 948288552 /nfs/dbraw/zinc/28/85/52/948288552.db2.gz ZUAOILBYQZHOQL-SNVBAGLBSA-N 0 1 380.403 1.211 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C(=O)[O-] ZINC001602757170 971470362 /nfs/dbraw/zinc/47/03/62/971470362.db2.gz CYYAJDIYOYEMQS-PWSUYJOCSA-N 0 1 381.420 1.446 20 0 GDADMN C[C@@H](C(=O)NC[C@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573696150 948318759 /nfs/dbraw/zinc/31/87/59/948318759.db2.gz LONSHXYIDWKIJA-CWTRNNRKSA-N 0 1 388.447 1.105 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1)C(C)(C)C ZINC001573707989 948441642 /nfs/dbraw/zinc/44/16/42/948441642.db2.gz QORVYMADYLJSJT-QWHCGFSZSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@H](C(=O)NCCN(C)Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573713675 948465221 /nfs/dbraw/zinc/46/52/21/948465221.db2.gz AUSDSXJRBHRVKJ-LBPRGKRZSA-N 0 1 386.435 1.091 20 0 GDADMN C[C@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573713932 948467323 /nfs/dbraw/zinc/46/73/23/948467323.db2.gz CIBHTESVTPWFPP-LBPRGKRZSA-N 0 1 386.435 1.091 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573714364 948472287 /nfs/dbraw/zinc/47/22/87/948472287.db2.gz GQMRQTOTZLOWBV-UONOGXRCSA-N 0 1 381.440 1.991 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573715222 948486107 /nfs/dbraw/zinc/48/61/07/948486107.db2.gz RICJTRQASATILD-ZJUUUORDSA-N 0 1 384.366 1.188 20 0 GDADMN C[C@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC001573717450 948507738 /nfs/dbraw/zinc/50/77/38/948507738.db2.gz MTXZQDGBVCXPEQ-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573717450 948507740 /nfs/dbraw/zinc/50/77/40/948507740.db2.gz MTXZQDGBVCXPEQ-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC001573720971 948535765 /nfs/dbraw/zinc/53/57/65/948535765.db2.gz UCZGGWHTZQRPPV-LLVKDONJSA-N 0 1 386.847 1.666 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C1CCCC1 ZINC001573729921 948572783 /nfs/dbraw/zinc/57/27/83/948572783.db2.gz WRAYFOLJBDRTAR-UMVBOHGHSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001573729992 948574156 /nfs/dbraw/zinc/57/41/56/948574156.db2.gz XNCMCPBFDPGGSD-XPCVCDNBSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001573729992 948574162 /nfs/dbraw/zinc/57/41/62/948574162.db2.gz XNCMCPBFDPGGSD-XPCVCDNBSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573739777 948622524 /nfs/dbraw/zinc/62/25/24/948622524.db2.gz HPEPGTNMQKBVIL-LIRZEXBASA-N 0 1 392.467 1.546 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573742234 948658794 /nfs/dbraw/zinc/65/87/94/948658794.db2.gz IWMJUAGGWSOWTR-NXEZZACHSA-N 0 1 388.382 1.077 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccccn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574914657 948754513 /nfs/dbraw/zinc/75/45/13/948754513.db2.gz MAMXGZWYYQMMEA-VIFPVBQESA-N 0 1 392.876 1.921 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575223304 948763315 /nfs/dbraw/zinc/76/33/15/948763315.db2.gz NKLWARYSGXODPO-VXGBXAGGSA-N 0 1 391.426 1.958 20 0 GDADMN C[C@H](C(=O)Nc1ccccc1N=S(C)(C)=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573756033 948794817 /nfs/dbraw/zinc/79/48/17/948794817.db2.gz WFOCHWRLTAHICR-SECBINFHSA-N 0 1 375.418 1.017 20 0 GDADMN CC[C@](COC)([NH2+]CC(=O)Nc1ccc(Br)cc1F)C(=O)[O-] ZINC000328572552 971508932 /nfs/dbraw/zinc/50/89/32/971508932.db2.gz URPTZASBSQHFJD-CQSZACIVSA-N 0 1 377.210 1.996 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnccn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574917110 948807347 /nfs/dbraw/zinc/80/73/47/948807347.db2.gz RGHCCLIYCSBCBD-LBPRGKRZSA-N 0 1 384.419 1.023 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccon1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917118 948808376 /nfs/dbraw/zinc/80/83/76/948808376.db2.gz RKSVOPHRINYIFK-NSHDSACASA-N 0 1 375.458 1.486 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccon1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917118 948808396 /nfs/dbraw/zinc/80/83/96/948808396.db2.gz RKSVOPHRINYIFK-NSHDSACASA-N 0 1 375.458 1.486 20 0 GDADMN CC(C)c1ccsc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574424114 948839891 /nfs/dbraw/zinc/83/98/91/948839891.db2.gz FLVIRBAYXYNYBC-XYPYZODXSA-N 0 1 384.469 1.636 20 0 GDADMN CC(F)(F)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001575229491 948844699 /nfs/dbraw/zinc/84/46/99/948844699.db2.gz KEVGLQROSZHPDL-GFCCVEGCSA-N 0 1 382.390 1.989 20 0 GDADMN CC(F)(F)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001575229491 948844721 /nfs/dbraw/zinc/84/47/21/948844721.db2.gz KEVGLQROSZHPDL-GFCCVEGCSA-N 0 1 382.390 1.989 20 0 GDADMN C[C@@H](CNC(=O)CCCc1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574918762 948858077 /nfs/dbraw/zinc/85/80/77/948858077.db2.gz PWAQQYTYXYDHJG-CQSZACIVSA-N 0 1 380.456 1.266 20 0 GDADMN CC(F)(F)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001575229963 948863497 /nfs/dbraw/zinc/86/34/97/948863497.db2.gz XGSFDUJPTFUIJM-LBPRGKRZSA-N 0 1 382.390 1.989 20 0 GDADMN CC(F)(F)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001575229963 948863516 /nfs/dbraw/zinc/86/35/16/948863516.db2.gz XGSFDUJPTFUIJM-LBPRGKRZSA-N 0 1 382.390 1.989 20 0 GDADMN C[C@@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574684272 948865676 /nfs/dbraw/zinc/86/56/76/948865676.db2.gz CSEUDDVGJMYCQT-DTWKUNHWSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574684272 948865726 /nfs/dbraw/zinc/86/57/26/948865726.db2.gz CSEUDDVGJMYCQT-DTWKUNHWSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574684272 948865743 /nfs/dbraw/zinc/86/57/43/948865743.db2.gz CSEUDDVGJMYCQT-DTWKUNHWSA-N 0 1 384.897 1.378 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573764289 948885156 /nfs/dbraw/zinc/88/51/56/948885156.db2.gz LTAUJSYQJORBJN-GXTWGEPZSA-N 0 1 382.472 1.520 20 0 GDADMN CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574087927 948902731 /nfs/dbraw/zinc/90/27/31/948902731.db2.gz BMCOOBRGORPQIH-IFXJQAMLSA-N 0 1 384.488 1.672 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574088052 948906344 /nfs/dbraw/zinc/90/63/44/948906344.db2.gz ACYDAIFPHOVUTQ-JLOCXQCDSA-N 0 1 384.459 1.844 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234847 948909260 /nfs/dbraw/zinc/90/92/60/948909260.db2.gz HLHFZPDIXTVXJC-NWDGAFQWSA-N 0 1 392.414 1.519 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574685603 948911689 /nfs/dbraw/zinc/91/16/89/948911689.db2.gz XTMFZNWHYPNABJ-VIFPVBQESA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574685603 948911731 /nfs/dbraw/zinc/91/17/31/948911731.db2.gz XTMFZNWHYPNABJ-VIFPVBQESA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574685603 948911741 /nfs/dbraw/zinc/91/17/41/948911741.db2.gz XTMFZNWHYPNABJ-VIFPVBQESA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574433434 948956959 /nfs/dbraw/zinc/95/69/59/948956959.db2.gz NKQBNZVAHNVRMS-GFCCVEGCSA-N 0 1 383.460 1.373 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001575241593 948974464 /nfs/dbraw/zinc/97/44/64/948974464.db2.gz DFTOINMBIDXTCG-YABSGUDNSA-N 0 1 382.440 1.910 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001575241593 948974471 /nfs/dbraw/zinc/97/44/71/948974471.db2.gz DFTOINMBIDXTCG-YABSGUDNSA-N 0 1 382.440 1.910 20 0 GDADMN CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575242112 948982814 /nfs/dbraw/zinc/98/28/14/948982814.db2.gz GYNVRCGVYVEGHO-GTNSWQLSSA-N 0 1 392.414 1.567 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001574090857 948996703 /nfs/dbraw/zinc/99/67/03/948996703.db2.gz JQPGPILABHMDQB-KGLIPLIRSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCC1)[NH+]1CCCC1 ZINC001573774320 949010375 /nfs/dbraw/zinc/01/03/75/949010375.db2.gz MMNIQOVQTSLJQD-UHFFFAOYSA-N 0 1 384.488 1.587 20 0 GDADMN CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)CCO1 ZINC001574091386 949010251 /nfs/dbraw/zinc/01/02/51/949010251.db2.gz KUIORKVGLSBPBX-XJKSGUPXSA-N 0 1 385.472 1.196 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602789040 971541037 /nfs/dbraw/zinc/54/10/37/971541037.db2.gz GIUDZSKZSAPYDG-CVEARBPZSA-N 0 1 375.473 1.091 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573779892 949075342 /nfs/dbraw/zinc/07/53/42/949075342.db2.gz OVESNOXYMBVTEH-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001574694990 949101572 /nfs/dbraw/zinc/10/15/72/949101572.db2.gz YICHQQYQFHGQDM-XJKSGUPXSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCC1 ZINC001574694990 949101581 /nfs/dbraw/zinc/10/15/81/949101581.db2.gz YICHQQYQFHGQDM-XJKSGUPXSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H](CNC(=O)COC1CCCC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574930268 949106797 /nfs/dbraw/zinc/10/67/97/949106797.db2.gz KJSFXYZSIPYSCQ-MRVPVSSYSA-N 0 1 385.881 1.852 20 0 GDADMN C[C@H](CNC(=O)COCc1ccncc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574930788 949109292 /nfs/dbraw/zinc/10/92/92/949109292.db2.gz MONKSZYFOHAOTP-GFCCVEGCSA-N 0 1 387.469 1.134 20 0 GDADMN C[C@H](CNC(=O)COCc1ccncc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574930788 949109281 /nfs/dbraw/zinc/10/92/81/949109281.db2.gz MONKSZYFOHAOTP-GFCCVEGCSA-N 0 1 387.469 1.134 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575250831 949117847 /nfs/dbraw/zinc/11/78/47/949117847.db2.gz HRMSWARKGYHXSC-ZJUUUORDSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574931439 949118246 /nfs/dbraw/zinc/11/82/46/949118246.db2.gz PGCVKNBHHUWZBR-GFCCVEGCSA-N 0 1 387.469 1.134 20 0 GDADMN C[C@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574931439 949118252 /nfs/dbraw/zinc/11/82/52/949118252.db2.gz PGCVKNBHHUWZBR-GFCCVEGCSA-N 0 1 387.469 1.134 20 0 GDADMN CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574446381 949126989 /nfs/dbraw/zinc/12/69/89/949126989.db2.gz NTESPWRAIFCVAH-SMDDNHRTSA-N 0 1 382.428 1.368 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001574094627 949141061 /nfs/dbraw/zinc/14/10/61/949141061.db2.gz YZPGAIHNJRJYQX-KGLIPLIRSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251597 949145211 /nfs/dbraw/zinc/14/52/11/949145211.db2.gz BPVJADAINOOXOO-ZIAGYGMSSA-N 0 1 392.467 1.407 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446943 949146521 /nfs/dbraw/zinc/14/65/21/949146521.db2.gz BXMUFALSWPNGPD-LLVKDONJSA-N 0 1 383.416 1.024 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575251863 949151728 /nfs/dbraw/zinc/15/17/28/949151728.db2.gz OTWSAABBYVAGHK-BDAKNGLRSA-N 0 1 384.366 1.116 20 0 GDADMN C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602795765 971558457 /nfs/dbraw/zinc/55/84/57/971558457.db2.gz NTROBWLCEVQEDR-YMNVWFMLSA-N 0 1 379.413 1.795 20 0 GDADMN C[C@@H](CNC(=O)COc1cccnc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574934951 949186708 /nfs/dbraw/zinc/18/67/08/949186708.db2.gz VWMUUKLOBNBVAA-LBPRGKRZSA-N 0 1 385.403 1.074 20 0 GDADMN CC(C)CC(=O)N(CCNc1ccnc(-c2nn[nH]n2)n1)Cc1ccccc1 ZINC001574099882 949187599 /nfs/dbraw/zinc/18/75/99/949187599.db2.gz PKPUMBAAYVLLAL-UHFFFAOYSA-N 0 1 380.456 1.565 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001574451324 949227618 /nfs/dbraw/zinc/22/76/18/949227618.db2.gz MGXXCFXHIIGOHL-LBPRGKRZSA-N 0 1 385.432 1.057 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001575854443 949236011 /nfs/dbraw/zinc/23/60/11/949236011.db2.gz XATJDLILILRJPC-UONOGXRCSA-N 0 1 382.472 1.308 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574938755 949254126 /nfs/dbraw/zinc/25/41/26/949254126.db2.gz ZZHIBWKBLCIYSP-JTQLQIEISA-N 0 1 389.822 1.635 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574940925 949282325 /nfs/dbraw/zinc/28/23/25/949282325.db2.gz MNJIFDIZOFNVST-ZDUSSCGKSA-N 0 1 392.467 1.363 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](c1ccccc1)C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574703138 949312986 /nfs/dbraw/zinc/31/29/86/949312986.db2.gz RKSXQIPFHURMIW-SUMWQHHRSA-N 0 1 392.467 1.531 20 0 GDADMN CC(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574110134 949350500 /nfs/dbraw/zinc/35/05/00/949350500.db2.gz RCADUOXJDOWVRH-JSGCOSHPSA-N 0 1 378.502 1.680 20 0 GDADMN CC(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574110134 949350513 /nfs/dbraw/zinc/35/05/13/949350513.db2.gz RCADUOXJDOWVRH-JSGCOSHPSA-N 0 1 378.502 1.680 20 0 GDADMN CC1(C)CN(C(=O)[C@]2(C)CC=CCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575527948 949386962 /nfs/dbraw/zinc/38/69/62/949386962.db2.gz KEDABIQKVACUQF-ORAYPTAESA-N 0 1 382.472 1.474 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC001574464349 949410414 /nfs/dbraw/zinc/41/04/14/949410414.db2.gz LWCCGUOKNRRZJO-ZIAGYGMSSA-N 0 1 395.471 1.541 20 0 GDADMN CC1(C(=O)N2CCC([N@@H+](CCO)Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001575533226 949414633 /nfs/dbraw/zinc/41/46/33/949414633.db2.gz FOYWGWWEXQVHOQ-UHFFFAOYSA-N 0 1 384.484 1.452 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001574464525 949415557 /nfs/dbraw/zinc/41/55/57/949415557.db2.gz KJJZPTWWMZKRGN-MKZZRHPPSA-N 0 1 392.467 1.756 20 0 GDADMN C[C@H](NC(=O)C1CCOCC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575265544 949448989 /nfs/dbraw/zinc/44/89/89/949448989.db2.gz UNWOHRAXQMOSEU-YUMQZZPRSA-N 0 1 385.881 1.708 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1=CCCC1 ZINC001576156578 949450129 /nfs/dbraw/zinc/45/01/29/949450129.db2.gz NDQXWCNFYOWNCY-ORAYPTAESA-N 0 1 382.472 1.666 20 0 GDADMN C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574948412 949460851 /nfs/dbraw/zinc/46/08/51/949460851.db2.gz ISEWSRUFHRMAFG-LLVKDONJSA-N 0 1 386.485 1.297 20 0 GDADMN C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574948412 949460866 /nfs/dbraw/zinc/46/08/66/949460866.db2.gz ISEWSRUFHRMAFG-LLVKDONJSA-N 0 1 386.485 1.297 20 0 GDADMN C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574948413 949463724 /nfs/dbraw/zinc/46/37/24/949463724.db2.gz ISEWSRUFHRMAFG-NSHDSACASA-N 0 1 386.485 1.297 20 0 GDADMN C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574948413 949463743 /nfs/dbraw/zinc/46/37/43/949463743.db2.gz ISEWSRUFHRMAFG-NSHDSACASA-N 0 1 386.485 1.297 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575536394 949471104 /nfs/dbraw/zinc/47/11/04/949471104.db2.gz IBPFFVDDXJBUJY-QVKFZJNVSA-N 0 1 389.463 1.601 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H](C)c1ccccc1 ZINC001574470383 949498377 /nfs/dbraw/zinc/49/83/77/949498377.db2.gz BVWRMMGRFMYHQQ-UONOGXRCSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576158837 949504032 /nfs/dbraw/zinc/50/40/32/949504032.db2.gz VAJSFDIWFRFIDY-UONOGXRCSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575871058 949505186 /nfs/dbraw/zinc/50/51/86/949505186.db2.gz YFJRKRLAMMROQM-ZJUUUORDSA-N 0 1 378.387 1.176 20 0 GDADMN C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576163952 949543099 /nfs/dbraw/zinc/54/30/99/949543099.db2.gz DKQYHXMEYHZSEO-UONOGXRCSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001574951344 949556165 /nfs/dbraw/zinc/55/61/65/949556165.db2.gz ZJXKWCNAKSMRGS-SECBINFHSA-N 0 1 386.416 1.842 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574955839 949574393 /nfs/dbraw/zinc/57/43/93/949574393.db2.gz FUVZWWQDEQLYID-CXMBCZLWSA-N 0 1 388.447 1.415 20 0 GDADMN C[C@@H](NC(=O)CC1(c2ccccc2)CC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270232 949581842 /nfs/dbraw/zinc/58/18/42/949581842.db2.gz YWFPFDDYSUMKBI-ZIAGYGMSSA-N 0 1 392.467 1.506 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576167986 949622634 /nfs/dbraw/zinc/62/26/34/949622634.db2.gz AZPDSHZLVILFFX-HOCLYGCPSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574957780 949634201 /nfs/dbraw/zinc/63/42/01/949634201.db2.gz IGQPEFIWEXVCPT-ZSOFBXJNSA-N 0 1 377.452 1.578 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575273267 949660615 /nfs/dbraw/zinc/66/06/15/949660615.db2.gz VEHMCXZJVMCBLR-RKDXNWHRSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575273267 949660631 /nfs/dbraw/zinc/66/06/31/949660631.db2.gz VEHMCXZJVMCBLR-RKDXNWHRSA-N 0 1 386.913 1.624 20 0 GDADMN CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CC[N@H+]1CCOC ZINC001589639468 949661437 /nfs/dbraw/zinc/66/14/37/949661437.db2.gz YCHBYXMXWJCJCP-RXCRORICSA-N 0 1 397.516 1.541 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C12CCC(CC1)C2 ZINC001573815942 949666247 /nfs/dbraw/zinc/66/62/47/949666247.db2.gz MEKLMSCNKLAUGI-FWHMADFJSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715815 949670414 /nfs/dbraw/zinc/67/04/14/949670414.db2.gz KRVMTFDFJIXTEJ-VIFPVBQESA-N 0 1 384.366 1.070 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001573817220 949700130 /nfs/dbraw/zinc/70/01/30/949700130.db2.gz YUPSTLXGKMQNPR-JTQLQIEISA-N 0 1 380.403 1.067 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574959047 949704099 /nfs/dbraw/zinc/70/40/99/949704099.db2.gz PWDHUWNRCMUWBP-KGYLQXTDSA-N 0 1 384.469 1.463 20 0 GDADMN C[C@@H](CN(C)C(=O)CC1CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574717242 949729114 /nfs/dbraw/zinc/72/91/14/949729114.db2.gz OHRKKQQQEMLQCN-ZDUSSCGKSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576171003 949743550 /nfs/dbraw/zinc/74/35/50/949743550.db2.gz OMPKMCSVEZRCBU-DYVFJYSZSA-N 0 1 385.472 1.149 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574137499 949761314 /nfs/dbraw/zinc/76/13/14/949761314.db2.gz VAONAKGKXRHAOV-IFXJQAMLSA-N 0 1 386.504 1.801 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171475 949766915 /nfs/dbraw/zinc/76/69/15/949766915.db2.gz QZICDDHHQOXYOU-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171475 949766938 /nfs/dbraw/zinc/76/69/38/949766938.db2.gz QZICDDHHQOXYOU-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171475 949766953 /nfs/dbraw/zinc/76/69/53/949766953.db2.gz QZICDDHHQOXYOU-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171475 949766975 /nfs/dbraw/zinc/76/69/75/949766975.db2.gz QZICDDHHQOXYOU-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720784 949805715 /nfs/dbraw/zinc/80/57/15/949805715.db2.gz HDWQLXBSIZKFOE-LBPRGKRZSA-N 0 1 384.419 1.109 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001574140784 949839555 /nfs/dbraw/zinc/83/95/55/949839555.db2.gz QISDAAMKGMBGQY-BMGDILEWSA-N 0 1 386.500 1.600 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574723004 949852891 /nfs/dbraw/zinc/85/28/91/949852891.db2.gz ZKEHEEJHEPBNPJ-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574723004 949852899 /nfs/dbraw/zinc/85/28/99/949852899.db2.gz ZKEHEEJHEPBNPJ-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN CC(C)(C)C1CC(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001573825288 949872399 /nfs/dbraw/zinc/87/23/99/949872399.db2.gz QIYJCWGIPRVHJL-UHFFFAOYSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)(C)C1CC(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001573825344 949873040 /nfs/dbraw/zinc/87/30/40/949873040.db2.gz STLPVIXLMBGAJQ-UHFFFAOYSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001574484498 949883381 /nfs/dbraw/zinc/88/33/81/949883381.db2.gz HWPHYJRJUREJMU-GJZGRUSLSA-N 0 1 380.456 1.539 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575565986 949895719 /nfs/dbraw/zinc/89/57/19/949895719.db2.gz ZICCGWXDNDAROP-XLIONFOSSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@]1(C(=O)NC2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575569299 949913781 /nfs/dbraw/zinc/91/37/81/949913781.db2.gz HZVCXKOVCKQVMT-IBGZPJMESA-N 0 1 388.447 1.513 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574487649 949931382 /nfs/dbraw/zinc/93/13/82/949931382.db2.gz APPKLFARHOLFGO-GZBFAFLISA-N 0 1 384.488 1.411 20 0 GDADMN C[C@@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574490814 950026076 /nfs/dbraw/zinc/02/60/76/950026076.db2.gz ZPAZOZXJWKEQPQ-UGSOOPFHSA-N 0 1 392.467 1.579 20 0 GDADMN CC1(C(=O)NC[C@@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)CCCC1 ZINC001575574664 950028117 /nfs/dbraw/zinc/02/81/17/950028117.db2.gz XLEVANOFIXHOEA-ZDUSSCGKSA-N 0 1 376.436 1.153 20 0 GDADMN C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182412 950051692 /nfs/dbraw/zinc/05/16/92/950051692.db2.gz ZQJXSISDMODMKT-STQMWFEESA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576182394 950053048 /nfs/dbraw/zinc/05/30/48/950053048.db2.gz ZHAOLZLTDVXRPD-VXGBXAGGSA-N 0 1 381.444 1.008 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1cnns1 ZINC001576182831 950064062 /nfs/dbraw/zinc/06/40/62/950064062.db2.gz POZATLBZAFDQLW-QMTHXVAHSA-N 0 1 387.473 1.077 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cocn1 ZINC001574151241 950065935 /nfs/dbraw/zinc/06/59/35/950065935.db2.gz OBXSQLRQFNGMMR-NSHDSACASA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cocn1 ZINC001574151241 950065951 /nfs/dbraw/zinc/06/59/51/950065951.db2.gz OBXSQLRQFNGMMR-NSHDSACASA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC(C)(C)O ZINC001574151409 950073184 /nfs/dbraw/zinc/07/31/84/950073184.db2.gz QSLFWSXXXOYFHB-LBPRGKRZSA-N 0 1 380.518 1.710 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC(C)(C)O ZINC001574151409 950073167 /nfs/dbraw/zinc/07/31/67/950073167.db2.gz QSLFWSXXXOYFHB-LBPRGKRZSA-N 0 1 380.518 1.710 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCOC1 ZINC001574151669 950090409 /nfs/dbraw/zinc/09/04/09/950090409.db2.gz XQWNEJYJNRSCLB-OLZOCXBDSA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCOC1 ZINC001574151669 950090428 /nfs/dbraw/zinc/09/04/28/950090428.db2.gz XQWNEJYJNRSCLB-OLZOCXBDSA-N 0 1 378.502 1.585 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cnccn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575894578 950100842 /nfs/dbraw/zinc/10/08/42/950100842.db2.gz FJPXTQZVRRUTKS-BBRMVZONSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574492856 950107501 /nfs/dbraw/zinc/10/75/01/950107501.db2.gz DGKTXYNCCKMUAE-OLZOCXBDSA-N 0 1 375.477 1.035 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001574492959 950109347 /nfs/dbraw/zinc/10/93/47/950109347.db2.gz PUJCSEZTGIJDEX-DZGCQCFKSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576184434 950130368 /nfs/dbraw/zinc/13/03/68/950130368.db2.gz WJBRWKIPIROPGH-WBMJQRKESA-N 0 1 381.444 1.150 20 0 GDADMN CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1 ZINC000262514176 950134562 /nfs/dbraw/zinc/13/45/62/950134562.db2.gz MQSXFJHEMRBJPG-KSZLIROESA-N 0 1 393.528 1.810 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cc(O)ccc1Cl ZINC001574979313 950151604 /nfs/dbraw/zinc/15/16/04/950151604.db2.gz XQEBOFQKWHNLBI-SECBINFHSA-N 0 1 375.820 1.462 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574735024 950155765 /nfs/dbraw/zinc/15/57/65/950155765.db2.gz XNJJIYJKUOEMMU-RBXMUDONSA-N 0 1 383.865 1.128 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574155438 950193148 /nfs/dbraw/zinc/19/31/48/950193148.db2.gz LFINHGYMXGEJTH-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574155438 950193158 /nfs/dbraw/zinc/19/31/58/950193158.db2.gz LFINHGYMXGEJTH-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001574155794 950212035 /nfs/dbraw/zinc/21/20/35/950212035.db2.gz RQOGSCDOPBBRAH-NSHDSACASA-N 0 1 380.403 1.067 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574496447 950216411 /nfs/dbraw/zinc/21/64/11/950216411.db2.gz WAGCMTPXAMAKNB-STQMWFEESA-N 0 1 383.460 1.130 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575588007 950243884 /nfs/dbraw/zinc/24/38/84/950243884.db2.gz PDGSTWURHZPYTK-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575588007 950243905 /nfs/dbraw/zinc/24/39/05/950243905.db2.gz PDGSTWURHZPYTK-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575588007 950243928 /nfs/dbraw/zinc/24/39/28/950243928.db2.gz PDGSTWURHZPYTK-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575588007 950243946 /nfs/dbraw/zinc/24/39/46/950243946.db2.gz PDGSTWURHZPYTK-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574742081 950262735 /nfs/dbraw/zinc/26/27/35/950262735.db2.gz LCHFQHOQROPRBQ-YUELXQCFSA-N 0 1 378.440 1.141 20 0 GDADMN C[C@H]1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379617735 971648708 /nfs/dbraw/zinc/64/87/08/971648708.db2.gz NNLHUGRGQCPEDG-GXTWGEPZSA-N 0 1 378.454 1.439 20 0 GDADMN CC1(C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC(F)(F)C1 ZINC001575589931 950271917 /nfs/dbraw/zinc/27/19/17/950271917.db2.gz YWBXMSJVVKYQOA-UHFFFAOYSA-N 0 1 392.414 1.425 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574159322 950303168 /nfs/dbraw/zinc/30/31/68/950303168.db2.gz WILDUOZWGFBOAL-WOPDTQHZSA-N 0 1 379.415 1.528 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001574500361 950314374 /nfs/dbraw/zinc/31/43/74/950314374.db2.gz ZUSJLZDWEUDYLI-NWDGAFQWSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001574500361 950314400 /nfs/dbraw/zinc/31/44/00/950314400.db2.gz ZUSJLZDWEUDYLI-NWDGAFQWSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576196477 950367107 /nfs/dbraw/zinc/36/71/07/950367107.db2.gz FDSMWRKVRYHFFX-KUHUBIRLSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576196477 950367129 /nfs/dbraw/zinc/36/71/29/950367129.db2.gz FDSMWRKVRYHFFX-KUHUBIRLSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574502387 950374787 /nfs/dbraw/zinc/37/47/87/950374787.db2.gz MPMRGIHIOBPNGW-UONOGXRCSA-N 0 1 381.440 1.991 20 0 GDADMN CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C3(C(=O)[O-])CCOCC3)C2)ccn1 ZINC001589715594 950375013 /nfs/dbraw/zinc/37/50/13/950375013.db2.gz VURLDHPNIYWZEF-KRWDZBQOSA-N 0 1 391.468 1.394 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909358 950397881 /nfs/dbraw/zinc/39/78/81/950397881.db2.gz YWHKKGYJWOPRDV-ZWNOBZJWSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909358 950397901 /nfs/dbraw/zinc/39/79/01/950397901.db2.gz YWHKKGYJWOPRDV-ZWNOBZJWSA-N 0 1 389.510 1.706 20 0 GDADMN CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)C1 ZINC001573860324 950423299 /nfs/dbraw/zinc/42/32/99/950423299.db2.gz FZHNVKULJHXZOF-UMSPYCQHSA-N 0 1 388.428 1.605 20 0 GDADMN CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC001589721424 950429562 /nfs/dbraw/zinc/42/95/62/950429562.db2.gz VKFQKKSEXCWHJZ-UHFFFAOYSA-N 0 1 391.468 1.213 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574750661 950434188 /nfs/dbraw/zinc/43/41/88/950434188.db2.gz FRINMFFPYZTYAZ-MRVPVSSYSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574750661 950434199 /nfs/dbraw/zinc/43/41/99/950434199.db2.gz FRINMFFPYZTYAZ-MRVPVSSYSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CC[C@H](CNc3ccncc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575605342 950457202 /nfs/dbraw/zinc/45/72/02/950457202.db2.gz HPJVDVFZHDJSLR-NJSLBKSFSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204301 950459060 /nfs/dbraw/zinc/45/90/60/950459060.db2.gz NNXWXOLKNKAODG-OLZOCXBDSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576204301 950459072 /nfs/dbraw/zinc/45/90/72/950459072.db2.gz NNXWXOLKNKAODG-OLZOCXBDSA-N 0 1 375.452 1.654 20 0 GDADMN CC(C)CC1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574166134 950460622 /nfs/dbraw/zinc/46/06/22/950460622.db2.gz NLOSFFUDYZTOHD-AWEZNQCLSA-N 0 1 384.488 1.816 20 0 GDADMN CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575605683 950478594 /nfs/dbraw/zinc/47/85/94/950478594.db2.gz TWBKUXZDGITIFH-UKRRQHHQSA-N 0 1 376.424 1.073 20 0 GDADMN C[C@H](CNC(=O)CN1CCC(C)CC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576204933 950482781 /nfs/dbraw/zinc/48/27/81/950482781.db2.gz DSJSGRQPNQQTBG-GFCCVEGCSA-N 0 1 392.895 1.564 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205134 950496850 /nfs/dbraw/zinc/49/68/50/950496850.db2.gz VCTCEHXFHMRGSM-YJYMSZOUSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205134 950496863 /nfs/dbraw/zinc/49/68/63/950496863.db2.gz VCTCEHXFHMRGSM-YJYMSZOUSA-N 0 1 387.463 1.433 20 0 GDADMN CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573866451 950502111 /nfs/dbraw/zinc/50/21/11/950502111.db2.gz CLJXYSNMCXUNJL-CYBMUJFWSA-N 0 1 388.476 1.077 20 0 GDADMN C[C@@]1(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380026772 971670826 /nfs/dbraw/zinc/67/08/26/971670826.db2.gz VGBLUBLUXMGORD-XLIONFOSSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576206017 950552747 /nfs/dbraw/zinc/55/27/47/950552747.db2.gz SQFJEKROPKRZJS-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576206017 950552766 /nfs/dbraw/zinc/55/27/66/950552766.db2.gz SQFJEKROPKRZJS-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)(C)OCC(=O)NC1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573869401 950567430 /nfs/dbraw/zinc/56/74/30/950567430.db2.gz PEFWSRKMZZALBU-UHFFFAOYSA-N 0 1 390.463 1.902 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575615629 950571683 /nfs/dbraw/zinc/57/16/83/950571683.db2.gz DQVSPDQIUZEWOK-NSHDSACASA-N 0 1 392.529 1.567 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576206968 950588818 /nfs/dbraw/zinc/58/88/18/950588818.db2.gz ZWZCXRJKOAFSTM-UONOGXRCSA-N 0 1 387.463 1.290 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576206968 950588828 /nfs/dbraw/zinc/58/88/28/950588828.db2.gz ZWZCXRJKOAFSTM-UONOGXRCSA-N 0 1 387.463 1.290 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573870502 950594248 /nfs/dbraw/zinc/59/42/48/950594248.db2.gz XENGBBJFOZIFAU-HIFRSBDPSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001576208034 950606686 /nfs/dbraw/zinc/60/66/86/950606686.db2.gz LFQKUDQNRJINGG-OAHLLOKOSA-N 0 1 386.504 1.325 20 0 GDADMN CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001576208034 950606692 /nfs/dbraw/zinc/60/66/92/950606692.db2.gz LFQKUDQNRJINGG-OAHLLOKOSA-N 0 1 386.504 1.325 20 0 GDADMN CC1(C)C(C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)C1(C)C ZINC001575619299 950616525 /nfs/dbraw/zinc/61/65/25/950616525.db2.gz OLXWENGHQALGDD-LBPRGKRZSA-N 0 1 385.472 1.005 20 0 GDADMN CC1CCN(CC(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576209207 950623192 /nfs/dbraw/zinc/62/31/92/950623192.db2.gz YMKLLBPEJOGCJD-GASCZTMLSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccns1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574759245 950630830 /nfs/dbraw/zinc/63/08/30/950630830.db2.gz AGTBEEUSDYRCMT-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CC1 ZINC001574516959 950642112 /nfs/dbraw/zinc/64/21/12/950642112.db2.gz JFDXICOMIGGZGH-GLCQIGPWSA-N 0 1 384.459 1.988 20 0 GDADMN CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1 ZINC001589744444 950652823 /nfs/dbraw/zinc/65/28/23/950652823.db2.gz RAYSAOVGDXHVHN-UHFFFAOYSA-N 0 1 396.532 1.607 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575923466 950660333 /nfs/dbraw/zinc/66/03/33/950660333.db2.gz BPFXRIDHCXAMNO-HZMBPMFUSA-N 0 1 384.831 1.447 20 0 GDADMN CC1(C)CC(C(=O)N(CCO)CCNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575625364 950684323 /nfs/dbraw/zinc/68/43/23/950684323.db2.gz QRPCRABROPEUIW-UHFFFAOYSA-N 0 1 390.463 1.353 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573877772 950692330 /nfs/dbraw/zinc/69/23/30/950692330.db2.gz FQZCNTXRRCWXOG-GZBFAFLISA-N 0 1 385.472 1.005 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccsn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574761153 950693328 /nfs/dbraw/zinc/69/33/28/950693328.db2.gz RGHSGSORXNIJAT-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN CC(C)(C)c1cc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)no1 ZINC001573879583 950728881 /nfs/dbraw/zinc/72/88/81/950728881.db2.gz HCXRUQZSCYZALY-UHFFFAOYSA-N 0 1 382.428 1.344 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC001575927113 950734569 /nfs/dbraw/zinc/73/45/69/950734569.db2.gz NMJUUAZXKPROCD-SUMWQHHRSA-N 0 1 392.467 1.465 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216582 950735610 /nfs/dbraw/zinc/73/56/10/950735610.db2.gz DMDUSVMYNCZXMQ-HIFRSBDPSA-N 0 1 392.467 1.315 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575927331 950739378 /nfs/dbraw/zinc/73/93/78/950739378.db2.gz PDMTZYLBGWQZCJ-SCZZXKLOSA-N 0 1 390.354 1.324 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927487 950744348 /nfs/dbraw/zinc/74/43/48/950744348.db2.gz PTLIRXNFBPPMMJ-SCZZXKLOSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccccc1F ZINC001575927860 950759414 /nfs/dbraw/zinc/75/94/14/950759414.db2.gz VIMHPAWLESYIDI-WBMJQRKESA-N 0 1 381.415 1.467 20 0 GDADMN C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574764991 950769548 /nfs/dbraw/zinc/76/95/48/950769548.db2.gz BGGMPGURKDLVEK-QMMMGPOBSA-N 0 1 379.471 1.341 20 0 GDADMN CC(C)c1nc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574765052 950773929 /nfs/dbraw/zinc/77/39/29/950773929.db2.gz CQRZCWJEKSLIIQ-JTQLQIEISA-N 0 1 387.473 1.231 20 0 GDADMN CC(C)c1nc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574765053 950774263 /nfs/dbraw/zinc/77/42/63/950774263.db2.gz CQRZCWJEKSLIIQ-SNVBAGLBSA-N 0 1 387.473 1.231 20 0 GDADMN CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573884025 950780667 /nfs/dbraw/zinc/78/06/67/950780667.db2.gz CWPCOVBJVCXYDZ-PHIMTYICSA-N 0 1 381.444 1.077 20 0 GDADMN CC(C)(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)co1 ZINC001573885050 950813444 /nfs/dbraw/zinc/81/34/44/950813444.db2.gz NKUPEEQDXCKIAX-PHIMTYICSA-N 0 1 382.428 1.342 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001574766581 950819572 /nfs/dbraw/zinc/81/95/72/950819572.db2.gz JPZJFDOELVUBNI-QMMMGPOBSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)CC(C)(C)O ZINC001575932691 950831110 /nfs/dbraw/zinc/83/11/10/950831110.db2.gz LSEFWQXAUFCTEC-JGVFFNPUSA-N 0 1 385.881 1.539 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)C1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574524192 950852621 /nfs/dbraw/zinc/85/26/21/950852621.db2.gz UTNGPNCIBLNUTE-NEPJUHHUSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)C1CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574524192 950852649 /nfs/dbraw/zinc/85/26/49/950852649.db2.gz UTNGPNCIBLNUTE-NEPJUHHUSA-N 0 1 378.502 1.728 20 0 GDADMN CCOC(=O)C1=C(C[NH+]2CCC(C)(C(=O)[O-])CC2)NC(=O)N[C@H]1c1ccco1 ZINC001590178645 950856869 /nfs/dbraw/zinc/85/68/69/950856869.db2.gz JHLSJHROIWSJTP-HNNXBMFYSA-N 0 1 391.424 1.637 20 0 GDADMN CC1(C)C[C@@H](NC(=O)CCC2CC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639419 950869657 /nfs/dbraw/zinc/86/96/57/950869657.db2.gz BHJAFRAPJZAXDQ-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](CN(C)C[C@@H](O)c1ccccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767988 950881434 /nfs/dbraw/zinc/88/14/34/950881434.db2.gz SGVOPPNLJPEQIB-BDJLRTHQSA-N 0 1 387.419 1.118 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCN1C(=O)c1ccn[nH]1 ZINC001575935551 950885078 /nfs/dbraw/zinc/88/50/78/950885078.db2.gz XWBIXBPFCBJIFC-RQJHMYQMSA-N 0 1 379.837 1.415 20 0 GDADMN CC(C)c1ocnc1CN[C@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527659 950900636 /nfs/dbraw/zinc/90/06/36/950900636.db2.gz FNIOVIRGCUKFHT-VXGBXAGGSA-N 0 1 386.460 1.993 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575641008 950911401 /nfs/dbraw/zinc/91/14/01/950911401.db2.gz NLKBMNCCDDPSST-GFCCVEGCSA-N 0 1 382.428 1.675 20 0 GDADMN CC1(C)C[C@H](NC(=O)[C@@H]2CCOC2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575641355 950919246 /nfs/dbraw/zinc/91/92/46/950919246.db2.gz OHRYOSPISKFFGF-ZIAGYGMSSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccc1[O-] ZINC001574527994 950920530 /nfs/dbraw/zinc/92/05/30/950920530.db2.gz JNFPVKQZSYWPFB-QWRGUYRKSA-N 0 1 387.469 1.716 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ncccc1O ZINC001574527994 950920545 /nfs/dbraw/zinc/92/05/45/950920545.db2.gz JNFPVKQZSYWPFB-QWRGUYRKSA-N 0 1 387.469 1.716 20 0 GDADMN CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C1CC1 ZINC001573895424 950937241 /nfs/dbraw/zinc/93/72/41/950937241.db2.gz AKKODBAFTJXARV-ZSOGYDGISA-N 0 1 382.472 1.281 20 0 GDADMN CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573895525 950938384 /nfs/dbraw/zinc/93/83/84/950938384.db2.gz BYURXVPVMXPLMB-VIFPVBQESA-N 0 1 384.366 1.330 20 0 GDADMN C[C@@H](CN(C)Cc1cc(F)cc(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772444 950967510 /nfs/dbraw/zinc/96/75/10/950967510.db2.gz SSPUZYVSITXUOG-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O)C1CC1 ZINC001573900381 951002852 /nfs/dbraw/zinc/00/28/52/951002852.db2.gz YZOLMGKWHTYTCD-SJORKVTESA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575021630 951062848 /nfs/dbraw/zinc/06/28/48/951062848.db2.gz DXPMYSHKQYPWIS-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575022716 951070739 /nfs/dbraw/zinc/07/07/39/951070739.db2.gz INRNPCGBYSLYDE-QMMMGPOBSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)[C@@H]1C(=O)[O-] ZINC000333617203 951129115 /nfs/dbraw/zinc/12/91/15/951129115.db2.gz SXBOAVFALMLMCB-APWZRJJASA-N 0 1 393.528 1.813 20 0 GDADMN C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)[C@@H]1C(=O)[O-] ZINC000333617203 951129126 /nfs/dbraw/zinc/12/91/26/951129126.db2.gz SXBOAVFALMLMCB-APWZRJJASA-N 0 1 393.528 1.813 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c(C(=O)[O-])c1C ZINC001591466813 951149321 /nfs/dbraw/zinc/14/93/21/951149321.db2.gz OYSYAPJKTYBJGK-LLVKDONJSA-N 0 1 398.481 1.963 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)O)C2)c(C(=O)[O-])c1C ZINC001591466813 951149326 /nfs/dbraw/zinc/14/93/26/951149326.db2.gz OYSYAPJKTYBJGK-LLVKDONJSA-N 0 1 398.481 1.963 20 0 GDADMN CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027380 951155988 /nfs/dbraw/zinc/15/59/88/951155988.db2.gz FULWVTIUGDBLGD-LBPRGKRZSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000382628863 951226290 /nfs/dbraw/zinc/22/62/90/951226290.db2.gz ZICYANRVSMRVIE-MRXNPFEDSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000382628863 951226299 /nfs/dbraw/zinc/22/62/99/951226299.db2.gz ZICYANRVSMRVIE-MRXNPFEDSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000389798134 951357984 /nfs/dbraw/zinc/35/79/84/951357984.db2.gz QRBPJZVSOOSEEC-PBHICJAKSA-N 0 1 381.498 1.138 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C)cn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575042964 951377579 /nfs/dbraw/zinc/37/75/79/951377579.db2.gz NLZFOQJVHMGSRX-ZETCQYMHSA-N 0 1 381.853 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575045741 951433046 /nfs/dbraw/zinc/43/30/46/951433046.db2.gz GMJADUBQLTUINN-LBPRGKRZSA-N 0 1 381.444 1.049 20 0 GDADMN C[C@H](CNC(=O)c1csc(=O)[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575057030 951524646 /nfs/dbraw/zinc/52/46/46/951524646.db2.gz NXRBSRQKLABUIO-SCSAIBSYSA-N 0 1 386.850 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1nc(Cl)cs1)CNc1ccncc1-c1nn[nH]n1 ZINC001575061964 951564157 /nfs/dbraw/zinc/56/41/57/951564157.db2.gz SDJWNDIDOLFYRE-MRVPVSSYSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@H](CNC(=O)c1nsc2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001575066358 951595371 /nfs/dbraw/zinc/59/53/71/951595371.db2.gz KMWKVBYNRIGCCI-SNVBAGLBSA-N 0 1 380.437 1.524 20 0 GDADMN C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575070521 951651903 /nfs/dbraw/zinc/65/19/03/951651903.db2.gz RAOLMUREWXKPAO-SECBINFHSA-N 0 1 387.473 1.063 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001575090128 951756378 /nfs/dbraw/zinc/75/63/78/951756378.db2.gz JPJJLVBRSHUKSK-OJIVJNGMSA-N 0 1 388.497 1.195 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001575090128 951756382 /nfs/dbraw/zinc/75/63/82/951756382.db2.gz JPJJLVBRSHUKSK-OJIVJNGMSA-N 0 1 388.497 1.195 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575090950 951765296 /nfs/dbraw/zinc/76/52/96/951765296.db2.gz ONLJZTXLNSKOIH-UONOGXRCSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098495 951823483 /nfs/dbraw/zinc/82/34/83/951823483.db2.gz DRPSVEFASKTZCZ-GFCCVEGCSA-N 0 1 388.501 1.861 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098495 951823487 /nfs/dbraw/zinc/82/34/87/951823487.db2.gz DRPSVEFASKTZCZ-GFCCVEGCSA-N 0 1 388.501 1.861 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ccon1 ZINC001575099018 951828406 /nfs/dbraw/zinc/82/84/06/951828406.db2.gz HDABEBHZKDWYMH-NSHDSACASA-N 0 1 375.458 1.486 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ccon1 ZINC001575099018 951828408 /nfs/dbraw/zinc/82/84/08/951828408.db2.gz HDABEBHZKDWYMH-NSHDSACASA-N 0 1 375.458 1.486 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575099174 951829651 /nfs/dbraw/zinc/82/96/51/951829651.db2.gz IJBLNIKATNLULC-OLZOCXBDSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575099174 951829672 /nfs/dbraw/zinc/82/96/72/951829672.db2.gz IJBLNIKATNLULC-OLZOCXBDSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)no1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099319 951831572 /nfs/dbraw/zinc/83/15/72/951831572.db2.gz JZWDNLANSUTNJJ-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)no1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099319 951831585 /nfs/dbraw/zinc/83/15/85/951831585.db2.gz JZWDNLANSUTNJJ-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099434 951835887 /nfs/dbraw/zinc/83/58/87/951835887.db2.gz LWZOUFJXMPKLJG-JTQLQIEISA-N 0 1 386.485 1.684 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099434 951835892 /nfs/dbraw/zinc/83/58/92/951835892.db2.gz LWZOUFJXMPKLJG-JTQLQIEISA-N 0 1 386.485 1.684 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099613 951837899 /nfs/dbraw/zinc/83/78/99/951837899.db2.gz OBWOZWAXLDVQJF-JSGCOSHPSA-N 0 1 390.513 1.587 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099613 951837904 /nfs/dbraw/zinc/83/79/04/951837904.db2.gz OBWOZWAXLDVQJF-JSGCOSHPSA-N 0 1 390.513 1.587 20 0 GDADMN C[C@@H](CNCc1noc2c1CCCC2)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117017 951976554 /nfs/dbraw/zinc/97/65/54/951976554.db2.gz KFTDUBSXOYJYIU-NSHDSACASA-N 0 1 384.444 1.217 20 0 GDADMN C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC001575125553 952044931 /nfs/dbraw/zinc/04/49/31/952044931.db2.gz OLDDONPVEZCGBN-QMMMGPOBSA-N 0 1 377.359 1.495 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575131747 952088002 /nfs/dbraw/zinc/08/80/02/952088002.db2.gz AYBJHMABCNLMSX-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575131747 952088008 /nfs/dbraw/zinc/08/80/08/952088008.db2.gz AYBJHMABCNLMSX-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575140764 952144203 /nfs/dbraw/zinc/14/42/03/952144203.db2.gz GGSYRSLAWNYVLB-SECBINFHSA-N 0 1 386.382 1.316 20 0 GDADMN O=C([O-])Cn1cccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1=O ZINC001595153506 952152034 /nfs/dbraw/zinc/15/20/34/952152034.db2.gz ZVDPSBZUOHASAA-UHFFFAOYSA-N 0 1 396.403 1.482 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575143617 952154759 /nfs/dbraw/zinc/15/47/59/952154759.db2.gz BOCLYIKOXKXGRZ-LJQANCHMSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001575144042 952161255 /nfs/dbraw/zinc/16/12/55/952161255.db2.gz TXIYYULICRXPBQ-PIHIASKNSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001602893173 971808228 /nfs/dbraw/zinc/80/82/28/971808228.db2.gz OJGCPNOPQLUQSB-AWEZNQCLSA-N 0 1 385.505 1.792 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCc2cccnc21 ZINC001575144728 952171163 /nfs/dbraw/zinc/17/11/63/952171163.db2.gz KVCCMNQCQUYASQ-DZGCQCFKSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575144904 952173596 /nfs/dbraw/zinc/17/35/96/952173596.db2.gz ZCVMMVFSWSNRJL-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575146382 952192326 /nfs/dbraw/zinc/19/23/26/952192326.db2.gz JUTNBNPHQZOVMJ-CYBMUJFWSA-N 0 1 380.456 1.394 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccc2nccnc21 ZINC001575146812 952197008 /nfs/dbraw/zinc/19/70/08/952197008.db2.gz OBNSAKCWQSEZCY-GFCCVEGCSA-N 0 1 389.423 1.199 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575164593 952294928 /nfs/dbraw/zinc/29/49/28/952294928.db2.gz FYYKQOMYROKHKG-FUXBKTLASA-N 0 1 389.844 1.364 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccnn1C ZINC001575165313 952305661 /nfs/dbraw/zinc/30/56/61/952305661.db2.gz NISHOFTXAHEBFP-SSDOTTSWSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575165331 952307973 /nfs/dbraw/zinc/30/79/73/952307973.db2.gz NJZRSRNSMKZPOL-RKDXNWHRSA-N 0 1 385.881 1.805 20 0 GDADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001575175800 952388966 /nfs/dbraw/zinc/38/89/66/952388966.db2.gz DQTZFYCRDAGAHG-SFHVURJKSA-N 0 1 387.827 1.949 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575177134 952397151 /nfs/dbraw/zinc/39/71/51/952397151.db2.gz GSSQZLDRILLGPH-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575177134 952397156 /nfs/dbraw/zinc/39/71/56/952397156.db2.gz GSSQZLDRILLGPH-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575188553 952448509 /nfs/dbraw/zinc/44/85/09/952448509.db2.gz JKJWSFHCVVOFDN-OLZOCXBDSA-N 0 1 383.431 1.618 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575190494 952463224 /nfs/dbraw/zinc/46/32/24/952463224.db2.gz SXRAWMGSRIJOJF-RYUDHWBXSA-N 0 1 384.419 1.013 20 0 GDADMN O=C([C@H]1CCC1(F)F)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571115066 952464384 /nfs/dbraw/zinc/46/43/84/952464384.db2.gz RHRIESPTIOOGTJ-NTZNESFSSA-N 0 1 375.383 1.202 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575191799 952469931 /nfs/dbraw/zinc/46/99/31/952469931.db2.gz YSCFQRGARRGSPT-STQMWFEESA-N 0 1 383.431 1.618 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575197140 952479597 /nfs/dbraw/zinc/47/95/97/952479597.db2.gz OAHZMNXUOAWUFI-KGLIPLIRSA-N 0 1 381.440 1.676 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001575197663 952487136 /nfs/dbraw/zinc/48/71/36/952487136.db2.gz YOZGROQNIHUARU-CYBMUJFWSA-N 0 1 381.440 1.606 20 0 GDADMN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccsn1 ZINC001571120181 952500267 /nfs/dbraw/zinc/50/02/67/952500267.db2.gz IWZJBCMIYFKNGT-AOOOYVTPSA-N 0 1 375.483 1.683 20 0 GDADMN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccsn1 ZINC001571120181 952500271 /nfs/dbraw/zinc/50/02/71/952500271.db2.gz IWZJBCMIYFKNGT-AOOOYVTPSA-N 0 1 375.483 1.683 20 0 GDADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1)c1ncccn1 ZINC001571120189 952500907 /nfs/dbraw/zinc/50/09/07/952500907.db2.gz KSOQTCQHGAYSBF-OAGGEKHMSA-N 0 1 376.424 1.192 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001575201627 952505235 /nfs/dbraw/zinc/50/52/35/952505235.db2.gz JCVGKSNAZLQWPZ-CQSZACIVSA-N 0 1 380.456 1.113 20 0 GDADMN C[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571120958 952511408 /nfs/dbraw/zinc/51/14/08/952511408.db2.gz VHITZFUPDGIXAC-KWQFWETISA-N 0 1 376.421 1.041 20 0 GDADMN C[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571120958 952511414 /nfs/dbraw/zinc/51/14/14/952511414.db2.gz VHITZFUPDGIXAC-KWQFWETISA-N 0 1 376.421 1.041 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001575203361 952521029 /nfs/dbraw/zinc/52/10/29/952521029.db2.gz UWWXJSOBXUEMIF-JSGCOSHPSA-N 0 1 381.444 1.267 20 0 GDADMN O=C(C[C@H]1CCCCO1)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571124138 952533597 /nfs/dbraw/zinc/53/35/97/952533597.db2.gz ZKVYKTFHNYMMRM-CHWSQXEVSA-N 0 1 376.486 1.578 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571124431 952539022 /nfs/dbraw/zinc/53/90/22/952539022.db2.gz IUVSCIWRRTYSDR-WZRBSPASSA-N 0 1 377.399 1.235 20 0 GDADMN CN(C(=O)[C@H]1CCC1(F)F)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571130005 952577600 /nfs/dbraw/zinc/57/76/00/952577600.db2.gz MPIFMKFLOCKGBL-LLVKDONJSA-N 0 1 378.387 1.129 20 0 GDADMN Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1C ZINC001571134127 952586048 /nfs/dbraw/zinc/58/60/48/952586048.db2.gz FABARNCUZQQGCU-PXAZEXFGSA-N 0 1 378.440 1.268 20 0 GDADMN C[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)c1cccc(OC(F)F)c1 ZINC001571139315 952620514 /nfs/dbraw/zinc/62/05/14/952620514.db2.gz FRVMOMKFMNIQRD-RKDXNWHRSA-N 0 1 379.327 1.925 20 0 GDADMN CC[C@@H](C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571140517 952626339 /nfs/dbraw/zinc/62/63/39/952626339.db2.gz BSSCUODRORPHGR-RYUDHWBXSA-N 0 1 378.506 1.232 20 0 GDADMN O=C(C1C=CC=CC=C1)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571141010 952630478 /nfs/dbraw/zinc/63/04/78/952630478.db2.gz FKFUYZIQPNJGKW-HNNXBMFYSA-N 0 1 378.440 1.170 20 0 GDADMN C[C@H](NC(=O)c1ccnnc1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571147596 952663449 /nfs/dbraw/zinc/66/34/49/952663449.db2.gz OVHZPNDWOMLXDU-JSGCOSHPSA-N 0 1 379.428 1.087 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571148104 952665285 /nfs/dbraw/zinc/66/52/85/952665285.db2.gz VETYXHQOAJMPTL-GFCCVEGCSA-N 0 1 379.428 1.184 20 0 GDADMN O=C(NC1CC(CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccn[nH]1 ZINC001571152608 952683143 /nfs/dbraw/zinc/68/31/43/952683143.db2.gz HJWKTJZVAQCAGX-UHFFFAOYSA-N 0 1 379.837 1.320 20 0 GDADMN CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(-c3nn[nH]n3)c(Cl)s2)CCC1 ZINC001571153285 952685214 /nfs/dbraw/zinc/68/52/14/952685214.db2.gz NEXDYLPRLUJBQQ-IUCAKERBSA-N 0 1 379.877 1.956 20 0 GDADMN Cc1cc(N(C)C2CCN(C(=O)c3cncnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159804 952721697 /nfs/dbraw/zinc/72/16/97/952721697.db2.gz XJTQVHINJWSMMN-UHFFFAOYSA-N 0 1 379.428 1.101 20 0 GDADMN Oc1ccc(CN2CCN(C[C@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC001571165850 952755986 /nfs/dbraw/zinc/75/59/86/952755986.db2.gz HPQVPTUIVHOCBM-IBGZPJMESA-N 0 1 380.452 1.424 20 0 GDADMN CCCc1[nH]ccc1C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571166386 952761197 /nfs/dbraw/zinc/76/11/97/952761197.db2.gz LZMSFFGXZKCTII-UHFFFAOYSA-N 0 1 380.456 1.941 20 0 GDADMN CCn1cccc1C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571169503 952775168 /nfs/dbraw/zinc/77/51/68/952775168.db2.gz FCBODSNAZMSKOJ-CQSZACIVSA-N 0 1 380.456 1.530 20 0 GDADMN Cc1cc(NC[C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169841 952779568 /nfs/dbraw/zinc/77/95/68/952779568.db2.gz PBHQAFCBPWBBIY-TZMCWYRMSA-N 0 1 380.456 1.069 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1C ZINC001571170894 952789991 /nfs/dbraw/zinc/78/99/91/952789991.db2.gz YXNGQIDBKXUPIF-AWEZNQCLSA-N 0 1 380.456 1.356 20 0 GDADMN Cc1cncc(CN(C)[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571170931 952790870 /nfs/dbraw/zinc/79/08/70/952790870.db2.gz ZWOXKIXSVDNIGV-HNNXBMFYSA-N 0 1 380.456 1.635 20 0 GDADMN Cc1ncoc1C(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571172227 952804355 /nfs/dbraw/zinc/80/43/55/952804355.db2.gz QABDKFTUUZIOLQ-ZETCQYMHSA-N 0 1 380.821 1.600 20 0 GDADMN CCn1cccc(CNC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)c1=O ZINC001571172850 952809308 /nfs/dbraw/zinc/80/93/08/952809308.db2.gz ZLAMPGXYNLWBAX-UHFFFAOYSA-N 0 1 380.821 1.480 20 0 GDADMN Cc1cc(N2CC[C@H](CNC(=O)c3cccc(F)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571178476 952842613 /nfs/dbraw/zinc/84/26/13/952842613.db2.gz KAXYXDVYXZLVDO-CYBMUJFWSA-N 0 1 381.415 1.966 20 0 GDADMN CN(C(=O)c1ccc(F)cn1)[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571178563 952843683 /nfs/dbraw/zinc/84/36/83/952843683.db2.gz NBSMWVXNTSUANS-MRXNPFEDSA-N 0 1 381.415 1.747 20 0 GDADMN Cc1ncoc1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571179679 952855708 /nfs/dbraw/zinc/85/57/08/952855708.db2.gz JHEMHABQRAHGNG-OAHLLOKOSA-N 0 1 381.440 1.757 20 0 GDADMN Cc1cc(NC[C@@H]2CN(C(=O)Cc3ccco3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179681 952856909 /nfs/dbraw/zinc/85/69/09/952856909.db2.gz JIYNSOCAYOPLDC-GXTWGEPZSA-N 0 1 381.440 1.334 20 0 GDADMN Cc1ccc([C@@H](C)C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571180478 952860111 /nfs/dbraw/zinc/86/01/11/952860111.db2.gz OYPFDGRIPNVEDU-ZIAGYGMSSA-N 0 1 381.440 1.970 20 0 GDADMN C[C@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)CCc2ccco2)C1 ZINC001571182957 952871229 /nfs/dbraw/zinc/87/12/29/952871229.db2.gz KPCFCAYBHJWUPA-LJQANCHMSA-N 0 1 381.440 1.560 20 0 GDADMN O=C(N[C@H]1CCN([C@H]2CCc3c2cccc3F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571183386 952877236 /nfs/dbraw/zinc/87/72/36/952877236.db2.gz ZBWIGOWZEMCNEG-SJCJKPOMSA-N 0 1 381.415 1.826 20 0 GDADMN C[C@H](N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C)c1cnccn1 ZINC001571184318 952890917 /nfs/dbraw/zinc/89/09/17/952890917.db2.gz WCLUIUNQNBVPRH-NHYWBVRUSA-N 0 1 381.444 1.186 20 0 GDADMN Cc1nc[nH]c1C(=O)N1CCCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001571186332 952906295 /nfs/dbraw/zinc/90/62/95/952906295.db2.gz WPRLIQMIXTUICI-ZDUSSCGKSA-N 0 1 381.444 1.424 20 0 GDADMN Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)[nH]1 ZINC001571188348 952913412 /nfs/dbraw/zinc/91/34/12/952913412.db2.gz IZSQPNDIJQZRCT-QWHCGFSZSA-N 0 1 381.444 1.034 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571189049 952923934 /nfs/dbraw/zinc/92/39/34/952923934.db2.gz QXZPDYDRJWSVBO-CHWSQXEVSA-N 0 1 381.444 1.091 20 0 GDADMN O=C(N[C@H]1CCCC[C@H]1CNCc1ncccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571189768 952934694 /nfs/dbraw/zinc/93/46/94/952934694.db2.gz UEGPHZLSSIJKQZ-JSGCOSHPSA-N 0 1 381.444 1.063 20 0 GDADMN 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ZINC001571199525 953000758 /nfs/dbraw/zinc/00/07/58/953000758.db2.gz UGMPYGIVKOVWDA-UHFFFAOYSA-N 0 1 382.428 1.519 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccc(F)cn1 ZINC001571200322 953009099 /nfs/dbraw/zinc/00/90/99/953009099.db2.gz HTKXXNWFQPIWPQ-AAEUAGOBSA-N 0 1 382.403 1.228 20 0 GDADMN CCc1nc(NC[C@H]2CCCCN2C(=O)c2ccn[nH]2)cc(-c2nn[nH]n2)n1 ZINC001571204649 953031768 /nfs/dbraw/zinc/03/17/68/953031768.db2.gz CAOIKNZXTVRURR-LLVKDONJSA-N 0 1 382.432 1.049 20 0 GDADMN Cc1nocc1CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@@H]12 ZINC001571205654 953040230 /nfs/dbraw/zinc/04/02/30/953040230.db2.gz KKMCNCZDIAWVTN-CRAIPNDOSA-N 0 1 382.428 1.418 20 0 GDADMN CC[C@@H]1CN(C(=O)c2[nH]nnc2C)CC[C@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571206538 953052100 /nfs/dbraw/zinc/05/21/00/953052100.db2.gz VFUBLHRCZLULRZ-DGCLKSJQSA-N 0 1 382.432 1.041 20 0 GDADMN O=C(NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571210207 953071630 /nfs/dbraw/zinc/07/16/30/953071630.db2.gz 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0 1 384.488 1.910 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001571249043 953300913 /nfs/dbraw/zinc/30/09/13/953300913.db2.gz BQNKAMXOADIKNO-ZIAGYGMSSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571249962 953308114 /nfs/dbraw/zinc/30/81/14/953308114.db2.gz MVUBJTDGRWQOKJ-ZIAGYGMSSA-N 0 1 384.488 1.252 20 0 GDADMN CC[C@H]1CCC[C@]1(C)C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571250273 953309997 /nfs/dbraw/zinc/30/99/97/953309997.db2.gz PVHLLBLHAYVSAH-DJJJIMSYSA-N 0 1 384.488 1.698 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@@H](NC(=O)[C@H]3CCCN3C)CC2)n1 ZINC001571251951 953321241 /nfs/dbraw/zinc/32/12/41/953321241.db2.gz CLLOUOFKMIRCBE-GDBMZVCRSA-N 0 1 384.488 1.139 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001571251947 953321848 /nfs/dbraw/zinc/32/18/48/953321848.db2.gz CKEQCMUQCAVBTR-ZIAGYGMSSA-N 0 1 384.488 1.766 20 0 GDADMN Cc1ncoc1C(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001571255677 953352735 /nfs/dbraw/zinc/35/27/35/953352735.db2.gz RXEKGNDUTXNTAU-QMTHXVAHSA-N 0 1 385.403 1.695 20 0 GDADMN CN(CCCC(=O)[O-])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000414628908 953403586 /nfs/dbraw/zinc/40/35/86/953403586.db2.gz NHOUUFSJXRXLRR-UHFFFAOYSA-N 0 1 382.892 1.968 20 0 GDADMN CC(C)C[C@@H](CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)[O-] ZINC000424393776 953458724 /nfs/dbraw/zinc/45/87/24/953458724.db2.gz MGXIPEQLVODTOI-KRWDZBQOSA-N 0 1 391.516 1.640 20 0 GDADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589284931 953553029 /nfs/dbraw/zinc/55/30/29/953553029.db2.gz JRAMMSMFQWMJAK-QXSJWSMHSA-N 0 1 382.505 1.118 20 0 GDADMN COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000566219740 953622024 /nfs/dbraw/zinc/62/20/24/953622024.db2.gz HKYGRULWHWNOQF-SWLSCSKDSA-N 0 1 380.441 1.371 20 0 GDADMN Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000566796545 953627497 /nfs/dbraw/zinc/62/74/97/953627497.db2.gz IGFAVCDPIZRWLB-UONOGXRCSA-N 0 1 397.497 1.369 20 0 GDADMN CC(C)(CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000572281564 953667565 /nfs/dbraw/zinc/66/75/65/953667565.db2.gz LMOJFSFHYAFIKR-INIZCTEOSA-N 0 1 381.498 1.207 20 0 GDADMN CC(C)(CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000572281564 953667574 /nfs/dbraw/zinc/66/75/74/953667574.db2.gz LMOJFSFHYAFIKR-INIZCTEOSA-N 0 1 381.498 1.207 20 0 GDADMN COC(=O)c1cc(C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n(C)c1C ZINC000593333927 953751652 /nfs/dbraw/zinc/75/16/52/953751652.db2.gz ZIBYZLXKZZFAEG-CYBMUJFWSA-N 0 1 377.441 1.018 20 0 GDADMN Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000629497952 953828875 /nfs/dbraw/zinc/82/88/75/953828875.db2.gz FWUGCGXRZUYXDE-HIFRSBDPSA-N 0 1 397.497 1.226 20 0 GDADMN 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C[N@H+]1C[C@@H](OC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)C[C@@]1(C)C(=O)[O-] ZINC001598571799 993207879 /nfs/dbraw/zinc/20/78/79/993207879.db2.gz BHBGUTMJQWGGDI-UGSOOPFHSA-N 0 1 375.356 1.076 20 0 GDADMN Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCOc3c(C(=O)[O-])cccc32)cn1 ZINC001598580562 993333975 /nfs/dbraw/zinc/33/39/75/993333975.db2.gz LUBFZBGJADCKCP-GOEBONIOSA-N 0 1 384.436 1.579 20 0 GDADMN C[NH+]1CCC(CNC(=O)Nc2cccc(CC(=O)[O-])n2)(N2CCCCC2)CC1 ZINC001598584557 993362370 /nfs/dbraw/zinc/36/23/70/993362370.db2.gz YLSHDLMPZOPTDK-UHFFFAOYSA-N 0 1 389.500 1.781 20 0 GDADMN CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001598584897 993367534 /nfs/dbraw/zinc/36/75/34/993367534.db2.gz IOIXYBZDVMFCCN-UHFFFAOYSA-N 0 1 378.477 1.017 20 0 GDADMN CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001598584897 993367537 /nfs/dbraw/zinc/36/75/37/993367537.db2.gz IOIXYBZDVMFCCN-UHFFFAOYSA-N 0 1 378.477 1.017 20 0 GDADMN C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001598592234 993452277 /nfs/dbraw/zinc/45/22/77/993452277.db2.gz HFBKRBAJEZOKBB-LLVKDONJSA-N 0 1 375.450 1.996 20 0 GDADMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001598594383 993483404 /nfs/dbraw/zinc/48/34/04/993483404.db2.gz KHUZGXBEABGXFT-XJKSGUPXSA-N 0 1 377.416 1.334 20 0 GDADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001598594858 993489128 /nfs/dbraw/zinc/48/91/28/993489128.db2.gz MCXLXMJXTBDTNL-WIYYLYMNSA-N 0 1 384.480 1.749 20 0 GDADMN C[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1ccc([S@@](C)=O)cc1 ZINC001593061785 993571425 /nfs/dbraw/zinc/57/14/25/993571425.db2.gz DKWGRURNMDKRRS-AOTXYTFASA-N 0 1 381.498 1.675 20 0 GDADMN C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001598602921 993589980 /nfs/dbraw/zinc/58/99/80/993589980.db2.gz WNWLFFQYVOUVDJ-QMMMGPOBSA-N 0 1 395.250 1.659 20 0 GDADMN C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001598602921 993589986 /nfs/dbraw/zinc/58/99/86/993589986.db2.gz WNWLFFQYVOUVDJ-QMMMGPOBSA-N 0 1 395.250 1.659 20 0 GDADMN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(C(=O)[O-])c1 ZINC001599587670 993634847 /nfs/dbraw/zinc/63/48/47/993634847.db2.gz KSXYVRIWZCJECE-AWEZNQCLSA-N 0 1 375.381 1.344 20 0 GDADMN COc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(C(=O)[O-])c1 ZINC001599588228 993642193 /nfs/dbraw/zinc/64/21/93/993642193.db2.gz QIWBSBIOMLRFMX-OLZOCXBDSA-N 0 1 377.441 1.711 20 0 GDADMN C[N@H+]1CCN(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001598608626 993722129 /nfs/dbraw/zinc/72/21/29/993722129.db2.gz ZOKPOWXWUWLBIF-BPQIPLTHSA-N 0 1 375.469 1.812 20 0 GDADMN C[N@H+]1CCN(C(=O)NCc2ccc(Br)c(F)c2)C[C@H](C(=O)[O-])C1 ZINC001598609011 993731032 /nfs/dbraw/zinc/73/10/32/993731032.db2.gz IUQWXEZUCHAUHF-LLVKDONJSA-N 0 1 388.237 1.746 20 0 GDADMN C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001593109650 993776286 /nfs/dbraw/zinc/77/62/86/993776286.db2.gz XHXFEAKIKKHBGQ-BGTYHANMSA-N 0 1 375.469 1.828 20 0 GDADMN C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001593109650 993776289 /nfs/dbraw/zinc/77/62/89/993776289.db2.gz XHXFEAKIKKHBGQ-BGTYHANMSA-N 0 1 375.469 1.828 20 0 GDADMN C[NH+]1CCN([C@@H](CNC(=O)NC[C@H](CC(=O)[O-])C2CC2)c2cccs2)CC1 ZINC001598612425 993803495 /nfs/dbraw/zinc/80/34/95/993803495.db2.gz RYPDCDYVVONVHG-HOTGVXAUSA-N 0 1 394.541 1.837 20 0 GDADMN C[N@H+]1CCN(C(=O)c2cnn3c2nccc3-c2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001598613375 993827314 /nfs/dbraw/zinc/82/73/14/993827314.db2.gz RGMSGJOQAVUKMX-HNNXBMFYSA-N 0 1 379.420 1.485 20 0 GDADMN C[N@H+]1CCN(Cc2cc(Br)c3c(c2)OCCO3)C[C@@H](C(=O)[O-])C1 ZINC001598618903 993956509 /nfs/dbraw/zinc/95/65/09/993956509.db2.gz ZULQEVPXYIVORD-LBPRGKRZSA-N 0 1 385.258 1.669 20 0 GDADMN C[N@@H+]1CCc2[nH]c3ccc(C(=O)N[C@](C)(Cn4cccn4)C(=O)[O-])cc3c2C1 ZINC001598626854 994111952 /nfs/dbraw/zinc/11/19/52/994111952.db2.gz RWPWQFUYUVFMDI-HXUWFJFHSA-N 0 1 381.436 1.626 20 0 GDADMN C[N@H+]1CCc2[nH]c3ccc(C(=O)N[C@](C)(Cn4cccn4)C(=O)[O-])cc3c2C1 ZINC001598626854 994111961 /nfs/dbraw/zinc/11/19/61/994111961.db2.gz RWPWQFUYUVFMDI-HXUWFJFHSA-N 0 1 381.436 1.626 20 0 GDADMN COc1ccc2c(c1)CCC(S(=O)(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)=C2 ZINC001599627245 994166329 /nfs/dbraw/zinc/16/63/29/994166329.db2.gz DUULVUXNPVETCC-OAHLLOKOSA-N 0 1 380.466 1.260 20 0 GDADMN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NCC[N@@H+](C)CC(=O)[O-] ZINC001599634635 994269004 /nfs/dbraw/zinc/26/90/04/994269004.db2.gz CLGNPCQFSNOWJJ-UHFFFAOYSA-N 0 1 387.845 1.192 20 0 GDADMN COc1cccc(C(=O)N2CC[NH+](C[C@@H]3[C@H](C(=O)[O-])C3(F)F)CC2)c1OC ZINC001599640962 994357945 /nfs/dbraw/zinc/35/79/45/994357945.db2.gz KWGOQRNGWJQNLL-TZMCWYRMSA-N 0 1 384.379 1.428 20 0 GDADMN COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599682674 995007294 /nfs/dbraw/zinc/00/72/94/995007294.db2.gz SJLBMMALGAKMJG-BDJLRTHQSA-N 0 1 393.358 1.783 20 0 GDADMN COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599682676 995007464 /nfs/dbraw/zinc/00/74/64/995007464.db2.gz SJLBMMALGAKMJG-BZNIZROVSA-N 0 1 393.358 1.783 20 0 GDADMN C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)[C@H](C)C1 ZINC001593462840 995391723 /nfs/dbraw/zinc/39/17/23/995391723.db2.gz POVCOZXHSXJPQS-HZPDHXFCSA-N 0 1 393.484 1.527 20 0 GDADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001598766562 995837541 /nfs/dbraw/zinc/83/75/41/995837541.db2.gz FXSHNJXFDAHXCR-LSDHHAIUSA-N 0 1 384.473 1.972 20 0 GDADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001598776389 995934512 /nfs/dbraw/zinc/93/45/12/995934512.db2.gz KLFHXLAIXZMWMC-KFWWJZLASA-N 0 1 384.473 1.972 20 0 GDADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC001598777981 995951212 /nfs/dbraw/zinc/95/12/12/995951212.db2.gz OKGCIBGSSXDPCQ-GXFFZTMASA-N 0 1 379.800 1.186 20 0 GDADMN COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)C[C@@H]1C(=O)[O-] ZINC001598816504 996276962 /nfs/dbraw/zinc/27/69/62/996276962.db2.gz CXXOLMRFMGBABO-GARJFASQSA-N 0 1 377.422 1.429 20 0 GDADMN COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)C[C@@H]1C(=O)[O-] ZINC001598816504 996276968 /nfs/dbraw/zinc/27/69/68/996276968.db2.gz CXXOLMRFMGBABO-GARJFASQSA-N 0 1 377.422 1.429 20 0 GDADMN COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C[C@H]1C(=O)[O-] ZINC001598819668 996310677 /nfs/dbraw/zinc/31/06/77/996310677.db2.gz PIGMCBIKEBVKLG-QJPTWQEYSA-N 0 1 398.843 1.790 20 0 GDADMN COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C[C@H]1C(=O)[O-] ZINC001598819668 996310682 /nfs/dbraw/zinc/31/06/82/996310682.db2.gz PIGMCBIKEBVKLG-QJPTWQEYSA-N 0 1 398.843 1.790 20 0 GDADMN COC(=O)[C@H]1C[N@H+](Cc2cnc3ccc(Br)cn23)C[C@H]1C(=O)[O-] ZINC001598824251 996364312 /nfs/dbraw/zinc/36/43/12/996364312.db2.gz GJBMIPKLNCHJEN-NEPJUHHUSA-N 0 1 382.214 1.402 20 0 GDADMN COC(=O)[C@H]1C[N@@H+](Cc2cnc3ccc(Br)cn23)C[C@H]1C(=O)[O-] ZINC001598824251 996364318 /nfs/dbraw/zinc/36/43/18/996364318.db2.gz GJBMIPKLNCHJEN-NEPJUHHUSA-N 0 1 382.214 1.402 20 0 GDADMN COC(=O)[C@@H]1C[N@@H+](Cc2nc3cc(Br)ccc3o2)C[C@H]1C(=O)[O-] ZINC001598825173 996374127 /nfs/dbraw/zinc/37/41/27/996374127.db2.gz JRQJAOQCMXTXTC-NXEZZACHSA-N 0 1 383.198 1.896 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC001599379885 996816570 /nfs/dbraw/zinc/81/65/70/996816570.db2.gz BUFXGVSIPPRGOE-SJORKVTESA-N 0 1 379.453 1.882 20 0 GDADMN COCc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001599278645 996855545 /nfs/dbraw/zinc/85/55/45/996855545.db2.gz AOEDTSFSPFQAFV-HNNXBMFYSA-N 0 1 396.509 1.932 20 0 GDADMN COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1F ZINC001599489700 996916902 /nfs/dbraw/zinc/91/69/02/996916902.db2.gz OYMQBCUVXHAXQM-JSGCOSHPSA-N 0 1 390.415 1.940 20 0 GDADMN COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1F ZINC001599489704 996917007 /nfs/dbraw/zinc/91/70/07/996917007.db2.gz OYMQBCUVXHAXQM-OCCSQVGLSA-N 0 1 390.415 1.940 20 0 GDADMN COCc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc(C(=O)[O-])c1 ZINC001599284226 996947215 /nfs/dbraw/zinc/94/72/15/996947215.db2.gz HTYUEFLCMWHDQO-ZDUSSCGKSA-N 0 1 377.441 1.318 20 0 GDADMN COCc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(C(=O)[O-])c1 ZINC001599284750 996956720 /nfs/dbraw/zinc/95/67/20/996956720.db2.gz NPYXPBIDSQATCP-MEDUHNTESA-N 0 1 375.425 1.069 20 0 GDADMN COCc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc(C(=O)[O-])c1 ZINC001599284971 996960262 /nfs/dbraw/zinc/96/02/62/996960262.db2.gz RRTHCCUWRIRLEY-AWEZNQCLSA-N 0 1 377.441 1.459 20 0 GDADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC001599386930 996963554 /nfs/dbraw/zinc/96/35/54/996963554.db2.gz LZYQMMUGBBBMCH-GJZGRUSLSA-N 0 1 383.466 1.387 20 0 GDADMN COc1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC001599494249 996994892 /nfs/dbraw/zinc/99/48/92/996994892.db2.gz LQDRMVTWGXGZQW-MRXNPFEDSA-N 0 1 376.434 1.729 20 0 GDADMN COc1cc(C)c(C)cc1NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599390562 997027648 /nfs/dbraw/zinc/02/76/48/997027648.db2.gz CYRXNYPEDDFPBV-IBGZPJMESA-N 0 1 377.441 1.705 20 0 GDADMN COC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC001599196348 997223023 /nfs/dbraw/zinc/22/30/23/997223023.db2.gz NGWQDCYXRNVTAS-HXPMCKFVSA-N 0 1 378.425 1.857 20 0 GDADMN COc1cc(CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)ccc1C(=O)[O-] ZINC001599409063 997385596 /nfs/dbraw/zinc/38/55/96/997385596.db2.gz SGGTZEGJECVIAD-HXUWFJFHSA-N 0 1 397.475 1.998 20 0 GDADMN C[C@]1(CCC(=O)[O-])NC(=O)N(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1=O ZINC001594003263 997398509 /nfs/dbraw/zinc/39/85/09/997398509.db2.gz SFJJGGRCOQSAGR-QWQRMKEZSA-N 0 1 379.457 1.400 20 0 GDADMN COc1ccc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)C(F)(F)F)cc1 ZINC001599522205 997500102 /nfs/dbraw/zinc/50/01/02/997500102.db2.gz MWZCDZMMZFEDQM-GXTWGEPZSA-N 0 1 389.374 1.956 20 0 GDADMN COC(=O)c1cc(C(=O)[O-])n(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC001598921289 997568022 /nfs/dbraw/zinc/56/80/22/997568022.db2.gz BMTPAMYMZHLBOR-NEPJUHHUSA-N 0 1 396.444 1.561 20 0 GDADMN COC(=O)c1cc(C(=O)[O-])n(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC001598921289 997568031 /nfs/dbraw/zinc/56/80/31/997568031.db2.gz BMTPAMYMZHLBOR-NEPJUHHUSA-N 0 1 396.444 1.561 20 0 GDADMN COC(=O)c1cc(C[N@@H+]2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc(C(=O)[O-])c1 ZINC001598930155 997734940 /nfs/dbraw/zinc/73/49/40/997734940.db2.gz XXQVCTLZBNKTFD-HSHDSVGOSA-N 0 1 391.420 1.855 20 0 GDADMN COC(=O)c1cc(C[N@H+]2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)cc(C(=O)[O-])c1 ZINC001598930155 997734959 /nfs/dbraw/zinc/73/49/59/997734959.db2.gz XXQVCTLZBNKTFD-HSHDSVGOSA-N 0 1 391.420 1.855 20 0 GDADMN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001599538212 997784365 /nfs/dbraw/zinc/78/43/65/997784365.db2.gz BHRPBLQPEWXDPW-SCTDSRPQSA-N 0 1 390.480 1.906 20 0 GDADMN COC1CC[NH+](CCNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001599124022 997800618 /nfs/dbraw/zinc/80/06/18/997800618.db2.gz OYJGETYSLPFKLX-UHFFFAOYSA-N 0 1 394.852 1.566 20 0 GDADMN COCC[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001599231311 997860889 /nfs/dbraw/zinc/86/08/89/997860889.db2.gz RWGWDGQZMRYGHS-JKSUJKDBSA-N 0 1 395.504 1.399 20 0 GDADMN COCCN(C)C[C@@H](O)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001599231411 997863851 /nfs/dbraw/zinc/86/38/51/997863851.db2.gz VJXFXZMEFYUAKD-CABCVRRESA-N 0 1 389.290 1.446 20 0 GDADMN COCC[N@H+](C)C[C@@H](O)CN(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001599231411 997863865 /nfs/dbraw/zinc/86/38/65/997863865.db2.gz VJXFXZMEFYUAKD-CABCVRRESA-N 0 1 389.290 1.446 20 0 GDADMN COCC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001599231411 997863873 /nfs/dbraw/zinc/86/38/73/997863873.db2.gz VJXFXZMEFYUAKD-CABCVRRESA-N 0 1 389.290 1.446 20 0 GDADMN COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001599231433 997864828 /nfs/dbraw/zinc/86/48/28/997864828.db2.gz APGYCQYMJLDPMR-UHFFFAOYSA-N 0 1 391.472 1.726 20 0 GDADMN CO[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)s2)[C@@](C)(C(=O)[O-])C1 ZINC001599128813 997902283 /nfs/dbraw/zinc/90/22/83/997902283.db2.gz DFCJZOIGQRPVTK-FZKQIMNGSA-N 0 1 381.498 1.200 20 0 GDADMN COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc(C(=O)[O-])c1 ZINC001598939280 997933162 /nfs/dbraw/zinc/93/31/62/997933162.db2.gz JRAKNPGADXXLKB-CBOPYJBQSA-N 0 1 390.436 1.591 20 0 GDADMN COc1ccc(C[C@H](C)C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)cc1OC ZINC001599551094 998007705 /nfs/dbraw/zinc/00/77/05/998007705.db2.gz WKRBGGPOTHISNG-GJZGRUSLSA-N 0 1 378.469 1.890 20 0 GDADMN COc1cc(-c2nnc(C[N@@H+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)o2)cc(OC)c1OC ZINC001599347054 998025897 /nfs/dbraw/zinc/02/58/97/998025897.db2.gz PSKSWKQFGHZLBW-HBYGRHMLSA-N 0 1 375.381 1.525 20 0 GDADMN COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001599244154 998110092 /nfs/dbraw/zinc/11/00/92/998110092.db2.gz WHSHHGZWGOEGPT-CZUORRHYSA-N 0 1 377.441 1.040 20 0 GDADMN COC(=O)c1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1C(=O)[O-] ZINC001598953319 998194044 /nfs/dbraw/zinc/19/40/44/998194044.db2.gz LJQOOKDZRYXFMT-OLZOCXBDSA-N 0 1 398.481 1.570 20 0 GDADMN COCCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001599255037 998297578 /nfs/dbraw/zinc/29/75/78/998297578.db2.gz OARYUGOBBRLMLC-WBMJQRKESA-N 0 1 381.429 1.251 20 0 GDADMN COCCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001599255037 998297591 /nfs/dbraw/zinc/29/75/91/998297591.db2.gz OARYUGOBBRLMLC-WBMJQRKESA-N 0 1 381.429 1.251 20 0 GDADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c1 ZINC001598960702 998324513 /nfs/dbraw/zinc/32/45/13/998324513.db2.gz KZGXAPSQVUHANW-UFYHVXEKSA-N 0 1 378.425 1.449 20 0 GDADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccsc2)c1 ZINC001598961199 998334295 /nfs/dbraw/zinc/33/42/95/998334295.db2.gz RCMZXTMNXFZFQX-ZUZCIYMTSA-N 0 1 392.433 1.883 20 0 GDADMN COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC001599367489 998358258 /nfs/dbraw/zinc/35/82/58/998358258.db2.gz GSBIPLDBRLHXEZ-UHFFFAOYSA-N 0 1 377.441 1.570 20 0 GDADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001598964948 998399207 /nfs/dbraw/zinc/39/92/07/998399207.db2.gz DHIRTLOSHAYLAY-DXCKQFNASA-N 0 1 390.436 1.999 20 0 GDADMN COc1ccc(COCCCC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001599575135 998430448 /nfs/dbraw/zinc/43/04/48/998430448.db2.gz TWRUGMKZOVUMAS-INIZCTEOSA-N 0 1 378.469 1.999 20 0 GDADMN COc1ccc(Cl)cc1N1C(=O)C[C@H]([N@@H+]2CC[C@@](OC)(C(=O)[O-])C2)C1=O ZINC001599577925 998476273 /nfs/dbraw/zinc/47/62/73/998476273.db2.gz IWFPYKPBBAZKKI-SJCJKPOMSA-N 0 1 382.800 1.156 20 0 GDADMN COc1ccc(Cl)cc1N1C(=O)C[C@H]([N@H+]2CC[C@@](OC)(C(=O)[O-])C2)C1=O ZINC001599577925 998476276 /nfs/dbraw/zinc/47/62/76/998476276.db2.gz IWFPYKPBBAZKKI-SJCJKPOMSA-N 0 1 382.800 1.156 20 0 GDADMN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001598969303 998484648 /nfs/dbraw/zinc/48/46/48/998484648.db2.gz JXAZNSWRULMUHA-UKRRQHHQSA-N 0 1 377.441 1.057 20 0 GDADMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1CN1C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O ZINC001594166306 998627732 /nfs/dbraw/zinc/62/77/32/998627732.db2.gz ROSGDTVJFXDSDO-HZSPNIEDSA-N 0 1 382.461 1.096 20 0 GDADMN C[C@H]1[C@H](NS(=O)(=O)c2cccnc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001594191961 998751702 /nfs/dbraw/zinc/75/17/02/998751702.db2.gz HGESMQWBKGFPPH-DZGCQCFKSA-N 0 1 375.450 1.721 20 0 GDADMN COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001599020096 998971688 /nfs/dbraw/zinc/97/16/88/998971688.db2.gz YTFXLLYULDAJKW-UHFFFAOYSA-N 0 1 390.483 1.338 20 0 GDADMN COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001599020096 998971693 /nfs/dbraw/zinc/97/16/93/998971693.db2.gz YTFXLLYULDAJKW-UHFFFAOYSA-N 0 1 390.483 1.338 20 0 GDADMN COC(=O)c1sc(NC(=O)C[NH2+][C@H](C)c2cnn(C)c2C)c(C(=O)[O-])c1C ZINC001599020564 998975439 /nfs/dbraw/zinc/97/54/39/998975439.db2.gz DLHZLVFOIKYVOU-SECBINFHSA-N 0 1 394.453 1.873 20 0 GDADMN COC(=O)c1sc(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)c(C(=O)[O-])c1C ZINC001599020790 998977080 /nfs/dbraw/zinc/97/70/80/998977080.db2.gz GSIWAGZWQNOKBW-SNVBAGLBSA-N 0 1 398.481 1.963 20 0 GDADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H](OC)CC2)c(C(=O)[O-])c1C ZINC001599021106 998980259 /nfs/dbraw/zinc/98/02/59/998980259.db2.gz MNTDFBCXWBUGMW-LLVKDONJSA-N 0 1 384.454 1.981 20 0 GDADMN COC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@@H](OC)CC2)c(C(=O)[O-])c1C ZINC001599021106 998980261 /nfs/dbraw/zinc/98/02/61/998980261.db2.gz MNTDFBCXWBUGMW-LLVKDONJSA-N 0 1 384.454 1.981 20 0 GDADMN C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001594375182 999414397 /nfs/dbraw/zinc/41/43/97/999414397.db2.gz KMWSRISFBSHOQN-HZPDHXFCSA-N 0 1 392.504 1.977 20 0 GDADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001594376087 999417938 /nfs/dbraw/zinc/41/79/38/999417938.db2.gz AGRQQPOEPHJSES-CYBMUJFWSA-N 0 1 392.481 1.961 20 0 GDADMN C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ncc(C(=O)[O-])s1 ZINC001594380675 999438770 /nfs/dbraw/zinc/43/87/70/999438770.db2.gz RQAHABUVWSHOLY-GRYCIOLGSA-N 0 1 382.486 1.255 20 0 GDADMN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])CC[N@H+](C2CC2)C1 ZINC001594457882 999663257 /nfs/dbraw/zinc/66/32/57/999663257.db2.gz CKIBJQKTQVSINX-NSHDSACASA-N 0 1 379.844 1.919 20 0 GDADMN C[C@@H]1CN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC[N@H+]1CCC(=O)[O-] ZINC001594463230 999677459 /nfs/dbraw/zinc/67/74/59/999677459.db2.gz UCNIHTMCFXCKMY-QGZVFWFLSA-N 0 1 382.460 1.930 20 0 GDADMN C[C@@H]1CN(C(=O)CCCOc2ccc3c(c2)OCO3)CC[N@H+]1CCC(=O)[O-] ZINC001594465122 999682494 /nfs/dbraw/zinc/68/24/94/999682494.db2.gz LOZRNKWQAZAKLN-CQSZACIVSA-N 0 1 378.425 1.582 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncnc3ccccc32)CC[N@H+]1CCC(=O)[O-] ZINC001594466674 999690548 /nfs/dbraw/zinc/69/05/48/999690548.db2.gz NGHLZZHXVSYLQA-QAPCUYQASA-N 0 1 397.479 1.606 20 0 GDADMN CCn1c2nnc(CNC3(CO)Cc4ccccc4C3)n2c2ccccc2c1=O ZINC000584099407 1126098370 /nfs/dbraw/zinc/09/83/70/1126098370.db2.gz FTSPONXSLFQCOY-UHFFFAOYSA-N 0 1 389.459 1.684 20 0 GDADMN O=S(=O)(NC[C@@H](O)CN1CCCCC1)c1ccc(Br)s1 ZINC000158952457 530537387 /nfs/dbraw/zinc/53/73/87/530537387.db2.gz ZXBZVQSFAPDRNS-SNVBAGLBSA-N 0 1 383.333 1.636 20 0 GDADMN O=S(=O)(NCCCN1CCC(O)CC1)c1ccccc1Br ZINC000159002209 530538443 /nfs/dbraw/zinc/53/84/43/530538443.db2.gz HHCUTWIKINPXDN-UHFFFAOYSA-N 0 1 377.304 1.574 20 0 GDADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000007325410 530545859 /nfs/dbraw/zinc/54/58/59/530545859.db2.gz FCZJXJVTTYNVCK-UHFFFAOYSA-N 0 1 380.447 1.851 20 0 GDADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1 ZINC000015246216 530561809 /nfs/dbraw/zinc/56/18/09/530561809.db2.gz ZATXDGNPBHDQRD-UHFFFAOYSA-N 0 1 383.447 1.986 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n[nH]1 ZINC000161615235 530562321 /nfs/dbraw/zinc/56/23/21/530562321.db2.gz CPORUCIUFJXRMH-LLVKDONJSA-N 0 1 384.889 1.787 20 0 GDADMN CCN(CCCN[C@@H](C(N)=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000161971161 530564906 /nfs/dbraw/zinc/56/49/06/530564906.db2.gz NREHFIIYHXSMME-CYBMUJFWSA-N 0 1 392.319 1.237 20 0 GDADMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000018994580 530567785 /nfs/dbraw/zinc/56/77/85/530567785.db2.gz BIXKXIQAZJPFLH-UHFFFAOYSA-N 0 1 384.435 1.312 20 0 GDADMN C[C@H](Cn1cncn1)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162479192 530568608 /nfs/dbraw/zinc/56/86/08/530568608.db2.gz SWMWVKPJPBYJDN-SSDOTTSWSA-N 0 1 381.202 1.686 20 0 GDADMN C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1cccc(S(N)(=O)=O)c1 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397.487 1.011 20 0 GDADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000737487791 599092147 /nfs/dbraw/zinc/09/21/47/599092147.db2.gz NGZFXORGIPRAJU-CQSZACIVSA-N 0 1 397.487 1.011 20 0 GDADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000737487791 599092151 /nfs/dbraw/zinc/09/21/51/599092151.db2.gz NGZFXORGIPRAJU-CQSZACIVSA-N 0 1 397.487 1.011 20 0 GDADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000737487791 599092154 /nfs/dbraw/zinc/09/21/54/599092154.db2.gz NGZFXORGIPRAJU-CQSZACIVSA-N 0 1 397.487 1.011 20 0 GDADMN CC(C)(CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2 ZINC000735671034 599094824 /nfs/dbraw/zinc/09/48/24/599094824.db2.gz ZVAYDALAFZWMKZ-QGZVFWFLSA-N 0 1 394.435 1.689 20 0 GDADMN COc1ccccc1C1(CN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737145619 599095717 /nfs/dbraw/zinc/09/57/17/599095717.db2.gz DBRPHTLMXNOWRN-QGZVFWFLSA-N 0 1 378.436 1.723 20 0 GDADMN CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1)[C@H](C)C(C)C ZINC000736512071 599133719 /nfs/dbraw/zinc/13/37/19/599133719.db2.gz LVCIMNNVDXVEQG-CYBMUJFWSA-N 0 1 390.492 1.178 20 0 GDADMN CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1)[C@H](C)C(C)C ZINC000736512071 599133724 /nfs/dbraw/zinc/13/37/24/599133724.db2.gz LVCIMNNVDXVEQG-CYBMUJFWSA-N 0 1 390.492 1.178 20 0 GDADMN CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1)[C@H](C)C(C)C ZINC000736512071 599133726 /nfs/dbraw/zinc/13/37/26/599133726.db2.gz LVCIMNNVDXVEQG-CYBMUJFWSA-N 0 1 390.492 1.178 20 0 GDADMN CN(C)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)nc1 ZINC000736778807 599192999 /nfs/dbraw/zinc/19/29/99/599192999.db2.gz FXRDLUFOHGAVNH-UHFFFAOYSA-N 0 1 379.833 1.782 20 0 GDADMN CC(=O)N1CC[NH+]([C@H]2CN(C(=O)NCc3ccc(C(=O)[O-])cc3)C[C@H]2C)CC1 ZINC000817695170 596931784 /nfs/dbraw/zinc/93/17/84/596931784.db2.gz WNYYEOICDIAKMF-KDOFPFPSSA-N 0 1 388.468 1.079 20 0 GDADMN CC(C)(C)N(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CCS(C)(=O)=O 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598510662 /nfs/dbraw/zinc/51/06/62/598510662.db2.gz PBMZMHGLFNTPAF-LLVKDONJSA-N 0 1 382.877 1.283 20 0 GDADMN CCN(C1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC000736512213 598557798 /nfs/dbraw/zinc/55/77/98/598557798.db2.gz NLLUENHSFKDKFY-UHFFFAOYSA-N 0 1 382.465 1.252 20 0 GDADMN CN1CCN(C)[C@H](CNC(=O)c2ccccc2-c2ccccc2-c2nn[nH]n2)C1 ZINC000736864520 598626348 /nfs/dbraw/zinc/62/63/48/598626348.db2.gz RLEPCOVFWLPDOE-OAHLLOKOSA-N 0 1 391.479 1.509 20 0 GDADMN CCOCCOc1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000736624695 598637009 /nfs/dbraw/zinc/63/70/09/598637009.db2.gz DNUBZMNFPGMFGK-UHFFFAOYSA-N 0 1 390.425 1.478 20 0 GDADMN O=C(c1cscn1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000738293262 598665400 /nfs/dbraw/zinc/66/54/00/598665400.db2.gz VBPQRSNLZLFPBF-UHFFFAOYSA-N 0 1 398.408 1.534 20 0 GDADMN CCc1nnc([C@@H](C)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)o1 ZINC000736707711 598699970 /nfs/dbraw/zinc/69/99/70/598699970.db2.gz RVXZDJGOYLYLBB-SNVBAGLBSA-N 0 1 385.432 1.561 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1-c1nn[n-]n1 ZINC000737188058 598700628 /nfs/dbraw/zinc/70/06/28/598700628.db2.gz XCYIRVMPUSGMBT-SNVBAGLBSA-N 0 1 377.474 1.292 20 0 GDADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NCc1cc(F)cc(F)c1 ZINC000737983750 598720267 /nfs/dbraw/zinc/72/02/67/598720267.db2.gz ZFBAZXFNHCJBMH-UHFFFAOYSA-N 0 1 396.357 1.776 20 0 GDADMN NC(=O)c1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000737761290 598721616 /nfs/dbraw/zinc/72/16/16/598721616.db2.gz WPBRBGYJSBKHOK-UHFFFAOYSA-N 0 1 380.795 1.982 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1-c1nn[nH]n1 ZINC000737187794 598750940 /nfs/dbraw/zinc/75/09/40/598750940.db2.gz VIZKWJKQDNWPQE-SECBINFHSA-N 0 1 399.436 1.446 20 0 GDADMN O=C(CCN1CCN(Cc2cscn2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737844389 598761739 /nfs/dbraw/zinc/76/17/39/598761739.db2.gz SYZZFJQBTKJPPA-UHFFFAOYSA-N 0 1 398.496 1.470 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCNc2cccc(C)[nH+]2)cc1-c1nnn[n-]1 ZINC000821979375 599361662 /nfs/dbraw/zinc/36/16/62/599361662.db2.gz RORIHJPDZOSWRE-UHFFFAOYSA-N 0 1 386.441 1.235 20 0 GDADMN C[N@H+](CCN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)Cc1ccccc1 ZINC000736799296 599429177 /nfs/dbraw/zinc/42/91/77/599429177.db2.gz QQZYOIQSORQZAG-UHFFFAOYSA-N 0 1 378.484 1.516 20 0 GDADMN C[N@@H+](CCN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)Cc1ccccc1 ZINC000736799296 599429179 /nfs/dbraw/zinc/42/91/79/599429179.db2.gz QQZYOIQSORQZAG-UHFFFAOYSA-N 0 1 378.484 1.516 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@](C)(O)CCC(C)C)cc1-c1nn[nH]n1 ZINC000821976776 599489422 /nfs/dbraw/zinc/48/94/22/599489422.db2.gz DCZQUSQRRKYWEK-INIZCTEOSA-N 0 1 380.474 1.606 20 0 GDADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000822204436 599529220 /nfs/dbraw/zinc/52/92/20/599529220.db2.gz OTKUIQYUBLJIPN-CHWSQXEVSA-N 0 1 385.447 1.805 20 0 GDADMN c1cc(-c2nn[nH]n2)cc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)n1 ZINC000823742603 599566019 /nfs/dbraw/zinc/56/60/19/599566019.db2.gz IUDVCIXXFRBPNP-UHFFFAOYSA-N 0 1 377.452 1.561 20 0 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OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000823715941 606422675 /nfs/dbraw/zinc/42/26/75/606422675.db2.gz ZPKZSAQDXXCRPM-RDJZCZTQSA-N 0 1 384.509 1.901 20 0 GDADMN OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000823715941 606422677 /nfs/dbraw/zinc/42/26/77/606422677.db2.gz ZPKZSAQDXXCRPM-RDJZCZTQSA-N 0 1 384.509 1.901 20 0 GDADMN COCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821691530 606488975 /nfs/dbraw/zinc/48/89/75/606488975.db2.gz XTTDRKFSDCWQDV-LBPRGKRZSA-N 0 1 382.415 1.621 20 0 GDADMN CC[C@@H](O)CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000820931581 606494251 /nfs/dbraw/zinc/49/42/51/606494251.db2.gz GXOZADSVULSJPN-CQSZACIVSA-N 0 1 382.415 1.357 20 0 GDADMN C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1N1CCOCC1 ZINC000820759968 606523685 /nfs/dbraw/zinc/52/36/85/606523685.db2.gz ORXJXMWVKGMXHG-SWLSCSKDSA-N 0 1 394.426 1.621 20 0 GDADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@H](C)O1 ZINC000820751871 606534693 /nfs/dbraw/zinc/53/46/93/606534693.db2.gz IJWZAUBLZILDJO-RVKKMQEKSA-N 0 1 384.484 1.509 20 0 GDADMN COc1ccnc(N2CCN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000821904527 606552689 /nfs/dbraw/zinc/55/26/89/606552689.db2.gz WYHQKOHQFGBYKV-UHFFFAOYSA-N 0 1 379.424 1.162 20 0 GDADMN COC(=O)c1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)cn1C ZINC000821667843 606590844 /nfs/dbraw/zinc/59/08/44/606590844.db2.gz CIUGEPDDTPWMLY-UHFFFAOYSA-N 0 1 396.816 1.446 20 0 GDADMN CC(C)(C)c1nc([C@@H]2CN(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000819966068 606629763 /nfs/dbraw/zinc/62/97/63/606629763.db2.gz VDCBMVNJMMOROU-ZDUSSCGKSA-N 0 1 397.443 1.888 20 0 GDADMN CC(C)(C)c1nnc([C@@H]2CN(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CCO2)[nH]1 ZINC000819966068 606629765 /nfs/dbraw/zinc/62/97/65/606629765.db2.gz VDCBMVNJMMOROU-ZDUSSCGKSA-N 0 1 397.443 1.888 20 0 GDADMN C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819856996 606699629 /nfs/dbraw/zinc/69/96/29/606699629.db2.gz NWAAKOLLZVUAIF-LBPRGKRZSA-N 0 1 389.508 1.121 20 0 GDADMN C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819856996 606699631 /nfs/dbraw/zinc/69/96/31/606699631.db2.gz NWAAKOLLZVUAIF-LBPRGKRZSA-N 0 1 389.508 1.121 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc(-c2ccccc2)no1 ZINC000821601785 606701236 /nfs/dbraw/zinc/70/12/36/606701236.db2.gz ZAROQRRZVOMJIX-UHFFFAOYSA-N 0 1 380.416 1.287 20 0 GDADMN CCCc1nc([C@@H]2CN(C(=O)NCc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000821143338 606701799 /nfs/dbraw/zinc/70/17/99/606701799.db2.gz RFXUHKUPZFWMNZ-AWEZNQCLSA-N 0 1 397.443 1.220 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(C(=O)NCc3cccc(-c4nn[nH]n4)c3)CCO2)n1 ZINC000821143338 606701800 /nfs/dbraw/zinc/70/18/00/606701800.db2.gz RFXUHKUPZFWMNZ-AWEZNQCLSA-N 0 1 397.443 1.220 20 0 GDADMN CN(C)Cc1ccsc1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000821588361 606721659 /nfs/dbraw/zinc/72/16/59/606721659.db2.gz OLAPSFPZKVUKIC-UHFFFAOYSA-N 0 1 398.496 1.347 20 0 GDADMN CN1CCO[C@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(Cl)c43)C[C@H]21 ZINC000821628700 606726058 /nfs/dbraw/zinc/72/60/58/606726058.db2.gz OJZUOYHQNWTIQT-OLZOCXBDSA-N 0 1 389.822 1.727 20 0 GDADMN COc1cc(C[N@@H+]2CC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc(OC)c1 ZINC000821716625 606728129 /nfs/dbraw/zinc/72/81/29/606728129.db2.gz CPINONDBLLMQPN-AWEZNQCLSA-N 0 1 381.440 1.965 20 0 GDADMN COc1cc(C[N@H+]2CC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc(OC)c1 ZINC000821716625 606728131 /nfs/dbraw/zinc/72/81/31/606728131.db2.gz CPINONDBLLMQPN-AWEZNQCLSA-N 0 1 381.440 1.965 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCN(C)c1ccccc1 ZINC000820788847 606785072 /nfs/dbraw/zinc/78/50/72/606785072.db2.gz PHIOSKCLVCJFFO-HNNXBMFYSA-N 0 1 379.472 1.304 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCN(C)c1ccccc1 ZINC000820788847 606785073 /nfs/dbraw/zinc/78/50/73/606785073.db2.gz PHIOSKCLVCJFFO-HNNXBMFYSA-N 0 1 379.472 1.304 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCN(C)c1ccccc1 ZINC000820788847 606785074 /nfs/dbraw/zinc/78/50/74/606785074.db2.gz PHIOSKCLVCJFFO-HNNXBMFYSA-N 0 1 379.472 1.304 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCN(C)c1ccccc1 ZINC000820788847 606785075 /nfs/dbraw/zinc/78/50/75/606785075.db2.gz PHIOSKCLVCJFFO-HNNXBMFYSA-N 0 1 379.472 1.304 20 0 GDADMN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1c(F)cc(-c3nn[nH]n3)cc1F)CO2 ZINC000822274633 606874989 /nfs/dbraw/zinc/87/49/89/606874989.db2.gz DCOVVQFIYMCSKC-CYBMUJFWSA-N 0 1 393.375 1.865 20 0 GDADMN CCOc1ncccc1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821437239 606884923 /nfs/dbraw/zinc/88/49/23/606884923.db2.gz MGPWNCFSYPBLOD-UHFFFAOYSA-N 0 1 396.379 1.417 20 0 GDADMN O=S(=O)(NCCc1cccc(F)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578647 606885299 /nfs/dbraw/zinc/88/52/99/606885299.db2.gz RJJVPVSIRCJYFJ-UHFFFAOYSA-N 0 1 383.355 1.805 20 0 GDADMN CC(C)(C)OC(=O)N1CCCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819933458 606893428 /nfs/dbraw/zinc/89/34/28/606893428.db2.gz SFCYLKGREVLDDB-MRXNPFEDSA-N 0 1 388.472 1.843 20 0 GDADMN CC(C)[N@H+]1C[C@H](C)[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820752592 606893582 /nfs/dbraw/zinc/89/35/82/606893582.db2.gz OQPRDBSWMSAXTF-TVQRCGJNSA-N 0 1 386.428 1.152 20 0 GDADMN CCCc1nnc([C@@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000821142547 606904918 /nfs/dbraw/zinc/90/49/18/606904918.db2.gz JWZDPKWLVQINPQ-GJZGRUSLSA-N 0 1 384.444 1.044 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000821142547 606904919 /nfs/dbraw/zinc/90/49/19/606904919.db2.gz JWZDPKWLVQINPQ-GJZGRUSLSA-N 0 1 384.444 1.044 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820659646 606907344 /nfs/dbraw/zinc/90/73/44/606907344.db2.gz ZGEKEGOPGZKQQC-TZMCWYRMSA-N 0 1 381.444 1.385 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820659646 606907346 /nfs/dbraw/zinc/90/73/46/606907346.db2.gz ZGEKEGOPGZKQQC-TZMCWYRMSA-N 0 1 381.444 1.385 20 0 GDADMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821936946 606964456 /nfs/dbraw/zinc/96/44/56/606964456.db2.gz IFRQONBQCPPCKN-ZDUSSCGKSA-N 0 1 382.465 1.300 20 0 GDADMN CC[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1)[NH+](C)C ZINC000820843409 606969164 /nfs/dbraw/zinc/96/91/64/606969164.db2.gz YHJVFZVTRYZYJA-OAHLLOKOSA-N 0 1 397.487 1.024 20 0 GDADMN CN(OCC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000530260556 649969085 /nfs/dbraw/zinc/96/90/85/649969085.db2.gz PMNVPVLXNYCJNF-UHFFFAOYSA-N 0 1 382.360 1.743 20 0 GDADMN CCc1nc([C@H]2CN(C(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000821504694 607068567 /nfs/dbraw/zinc/06/85/67/607068567.db2.gz ISTUEPIOZWIPPG-GFCCVEGCSA-N 0 1 387.379 1.292 20 0 GDADMN CC(C)(C)OC(=O)Nc1cccc(OC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000819946793 607157536 /nfs/dbraw/zinc/15/75/36/607157536.db2.gz QQTJZENBNUCMCG-UHFFFAOYSA-N 0 1 386.372 1.411 20 0 GDADMN O=C(NCCCF)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823187380 607163997 /nfs/dbraw/zinc/16/39/97/607163997.db2.gz IZONCHZUPBPQNE-UHFFFAOYSA-N 0 1 389.391 1.807 20 0 GDADMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000822200057 607167361 /nfs/dbraw/zinc/16/73/61/607167361.db2.gz SICFYCCWNIHZBQ-SJCJKPOMSA-N 0 1 380.456 1.614 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000822200036 607184666 /nfs/dbraw/zinc/18/46/66/607184666.db2.gz RMKMHUNAVQSUBB-MRVPVSSYSA-N 0 1 388.819 1.238 20 0 GDADMN O=C(Cc1[nH]nc2ccccc21)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000823118923 607188560 /nfs/dbraw/zinc/18/85/60/607188560.db2.gz VSZLSAUXAQKUHW-UHFFFAOYSA-N 0 1 399.418 1.992 20 0 GDADMN CN(Cc1ccccc1)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821614329 607209583 /nfs/dbraw/zinc/20/95/83/607209583.db2.gz APKRWYAAFNLIQY-UHFFFAOYSA-N 0 1 389.423 1.733 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(COC2CCCCC2)c1 ZINC000823136188 607211729 /nfs/dbraw/zinc/21/17/29/607211729.db2.gz NTBQIWRFMBQOBA-UHFFFAOYSA-N 0 1 382.428 1.946 20 0 GDADMN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821596687 607211946 /nfs/dbraw/zinc/21/19/46/607211946.db2.gz RMYNPXBXHLGJBY-GDBMZVCRSA-N 0 1 382.428 1.085 20 0 GDADMN C[C@@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1c(Cl)cccc1Cl ZINC000820262296 607212239 /nfs/dbraw/zinc/21/22/39/607212239.db2.gz VEWBVTRAIFWROK-QMMMGPOBSA-N 0 1 381.227 1.685 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(c2ccccc2)CCCCCC1 ZINC000823127030 607213826 /nfs/dbraw/zinc/21/38/26/607213826.db2.gz RARHOSCCXBCSDW-UHFFFAOYSA-N 0 1 380.456 1.867 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000823126383 607218007 /nfs/dbraw/zinc/21/80/07/607218007.db2.gz JSOULJPQAUYZPC-LBPRGKRZSA-N 0 1 390.860 1.428 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000823136302 607218556 /nfs/dbraw/zinc/21/85/56/607218556.db2.gz USBNOBJQPVUTIY-SREVYHEPSA-N 0 1 379.409 1.724 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCCNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824941678 607815289 /nfs/dbraw/zinc/81/52/89/607815289.db2.gz ZJVYELYFZJITJM-YOEHRIQHSA-N 0 1 393.513 1.825 20 0 GDADMN O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488209 607818841 /nfs/dbraw/zinc/81/88/41/607818841.db2.gz KNNVPTZLGYHEFQ-FZZIBODNSA-N 0 1 397.407 1.381 20 0 GDADMN CN(CCN1C(=O)c2ccccc2C1=O)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825938388 607830806 /nfs/dbraw/zinc/83/08/06/607830806.db2.gz RGLXEGLKOHNOFP-KRWDZBQOSA-N 0 1 392.419 1.128 20 0 GDADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000826503924 607943389 /nfs/dbraw/zinc/94/33/89/607943389.db2.gz JQNBRKQJZBJTKI-LNLFQRSKSA-N 0 1 399.426 1.553 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3cccs3)on2)c1-c1nnn[n-]1 ZINC000826077465 608019623 /nfs/dbraw/zinc/01/96/23/608019623.db2.gz IZONDNOLHDYUNM-UHFFFAOYSA-N 0 1 399.440 1.711 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3cccs3)on2)c1-c1nn[n-]n1 ZINC000826077465 608019624 /nfs/dbraw/zinc/01/96/24/608019624.db2.gz IZONDNOLHDYUNM-UHFFFAOYSA-N 0 1 399.440 1.711 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]c(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826077902 608020067 /nfs/dbraw/zinc/02/00/67/608020067.db2.gz ZOCMNJAPXSWHAL-UHFFFAOYSA-N 0 1 392.427 1.384 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826077672 608021121 /nfs/dbraw/zinc/02/11/21/608021121.db2.gz QDECUXFZYIXADB-UHFFFAOYSA-N 0 1 395.427 1.454 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826077672 608021122 /nfs/dbraw/zinc/02/11/22/608021122.db2.gz QDECUXFZYIXADB-UHFFFAOYSA-N 0 1 395.427 1.454 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)nc2C)c1-c1nnn[n-]1 ZINC000826084013 608021413 /nfs/dbraw/zinc/02/14/13/608021413.db2.gz TZUTVPHSEHNRDV-UHFFFAOYSA-N 0 1 375.824 1.351 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)nc2C)c1-c1nn[n-]n1 ZINC000826084013 608021414 /nfs/dbraw/zinc/02/14/14/608021414.db2.gz TZUTVPHSEHNRDV-UHFFFAOYSA-N 0 1 375.824 1.351 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(s2)CCOC3)c1-c1nnn[n-]1 ZINC000826077881 608021998 /nfs/dbraw/zinc/02/19/98/608021998.db2.gz YMPMIRUBRJWNAB-UHFFFAOYSA-N 0 1 388.457 1.128 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(s2)CCOC3)c1-c1nn[n-]n1 ZINC000826077881 608021999 /nfs/dbraw/zinc/02/19/99/608021999.db2.gz YMPMIRUBRJWNAB-UHFFFAOYSA-N 0 1 388.457 1.128 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2sccc2C)c1-c1nnn[n-]1 ZINC000826077610 608022085 /nfs/dbraw/zinc/02/20/85/608022085.db2.gz OJAYLNSNHIXUFM-MNOVXSKESA-N 0 1 386.485 1.854 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2sccc2C)c1-c1nn[n-]n1 ZINC000826077610 608022086 /nfs/dbraw/zinc/02/20/86/608022086.db2.gz OJAYLNSNHIXUFM-MNOVXSKESA-N 0 1 386.485 1.854 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3ncccc32)c1-c1nnn[n-]1 ZINC000826082808 608022214 /nfs/dbraw/zinc/02/22/14/608022214.db2.gz BEPXPYGVXXAUAB-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3ncccc32)c1-c1nn[n-]n1 ZINC000826082808 608022215 /nfs/dbraw/zinc/02/22/15/608022215.db2.gz BEPXPYGVXXAUAB-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824901377 608043092 /nfs/dbraw/zinc/04/30/92/608043092.db2.gz YRQFOWMSANPSEX-QWRGUYRKSA-N 0 1 376.486 1.591 20 0 GDADMN C[C@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824901377 608043093 /nfs/dbraw/zinc/04/30/93/608043093.db2.gz YRQFOWMSANPSEX-QWRGUYRKSA-N 0 1 376.486 1.591 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)n[nH]1 ZINC000824359210 608096644 /nfs/dbraw/zinc/09/66/44/608096644.db2.gz UBUHYAXHLJQEPI-QMMMGPOBSA-N 0 1 380.409 1.287 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)n[nH]1 ZINC000824358511 608096718 /nfs/dbraw/zinc/09/67/18/608096718.db2.gz MCXACUMXUTXXIE-MRVPVSSYSA-N 0 1 396.864 1.801 20 0 GDADMN Cc1cccc(S(=O)(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1-c1nn[nH]n1 ZINC000826302575 608097299 /nfs/dbraw/zinc/09/72/99/608097299.db2.gz NEXZZNIZUMFNSZ-SNVBAGLBSA-N 0 1 376.446 1.456 20 0 GDADMN CCc1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)n[nH]1 ZINC000825744420 608097832 /nfs/dbraw/zinc/09/78/32/608097832.db2.gz AEVLLDFBEUTAGP-ZETCQYMHSA-N 0 1 382.837 1.240 20 0 GDADMN O=C(NCC[C@H]1CCOC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826435908 608130655 /nfs/dbraw/zinc/13/06/55/608130655.db2.gz BNIVVZHZMDHREW-KRWDZBQOSA-N 0 1 399.499 1.511 20 0 GDADMN C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824994189 608150980 /nfs/dbraw/zinc/15/09/80/608150980.db2.gz UCCQYMSJSXXYOK-DNVCBOLYSA-N 0 1 392.511 1.877 20 0 GDADMN CCC[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)N(C)C ZINC000825224872 608167637 /nfs/dbraw/zinc/16/76/37/608167637.db2.gz FDYAAZOYOCFFGY-QGZVFWFLSA-N 0 1 387.488 1.497 20 0 GDADMN CCc1nc([C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000825739468 608204859 /nfs/dbraw/zinc/20/48/59/608204859.db2.gz DURKXTRCOCWDMN-FZMZJTMJSA-N 0 1 381.444 1.393 20 0 GDADMN O=C(CNc1ccc(-c2nn[nH]n2)cn1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000826413521 608216660 /nfs/dbraw/zinc/21/66/60/608216660.db2.gz IRXFWDKRWPFAKW-OAHLLOKOSA-N 0 1 396.455 1.610 20 0 GDADMN O[C@@H](CN1CCN(c2ncccc2-c2nn[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000826510678 608220529 /nfs/dbraw/zinc/22/05/29/608220529.db2.gz FCNXFBUXQSVCMI-INIZCTEOSA-N 0 1 385.859 1.771 20 0 GDADMN O=C(C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1)[N-]OCc1ccccc1 ZINC000826411011 608227514 /nfs/dbraw/zinc/22/75/14/608227514.db2.gz HSDCDZVFDJVUHF-UHFFFAOYSA-N 0 1 393.451 1.237 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1COC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000826185104 608254100 /nfs/dbraw/zinc/25/41/00/608254100.db2.gz YQOQQSXFHFXJAE-UHFFFAOYSA-N 0 1 378.348 1.921 20 0 GDADMN CC[C@@H]1CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)CCN1CC(F)F ZINC000825210863 608257253 /nfs/dbraw/zinc/25/72/53/608257253.db2.gz JVPBPQYDMYNATK-CYBMUJFWSA-N 0 1 393.442 1.857 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826332096 608313052 /nfs/dbraw/zinc/31/30/52/608313052.db2.gz JRRJHFZHEMTPSU-JSGCOSHPSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826332096 608313054 /nfs/dbraw/zinc/31/30/54/608313054.db2.gz JRRJHFZHEMTPSU-JSGCOSHPSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826332096 608313056 /nfs/dbraw/zinc/31/30/56/608313056.db2.gz JRRJHFZHEMTPSU-JSGCOSHPSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826332096 608313058 /nfs/dbraw/zinc/31/30/58/608313058.db2.gz JRRJHFZHEMTPSU-JSGCOSHPSA-N 0 1 380.456 1.447 20 0 GDADMN CCn1ccnc1CN1CCCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000825805173 608391513 /nfs/dbraw/zinc/39/15/13/608391513.db2.gz WDCIVDDLRQGBJB-UHFFFAOYSA-N 0 1 384.463 1.930 20 0 GDADMN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000823967193 608458863 /nfs/dbraw/zinc/45/88/63/608458863.db2.gz JYCKPGGPMMGPCE-KUHUBIRLSA-N 0 1 392.463 1.834 20 0 GDADMN C[C@H](NCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562679 608460826 /nfs/dbraw/zinc/46/08/26/608460826.db2.gz IIDCZRXHBSICSQ-ZDUSSCGKSA-N 0 1 393.451 1.858 20 0 GDADMN Cc1nnc(SCC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)[nH]1 ZINC000826322144 608486927 /nfs/dbraw/zinc/48/69/27/608486927.db2.gz ABXLZFRBPCORDQ-UHFFFAOYSA-N 0 1 382.453 1.701 20 0 GDADMN O=c1[nH]c2ccccc2cc1CN1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000738372557 608507940 /nfs/dbraw/zinc/50/79/40/608507940.db2.gz SACCJWMJOPHGNR-UHFFFAOYSA-N 0 1 388.435 1.838 20 0 GDADMN Cn1cc([C@@H](NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)C(C)(C)C)cn1 ZINC000826359734 608554758 /nfs/dbraw/zinc/55/47/58/608554758.db2.gz PDGPMWXMMBLRHM-QGZVFWFLSA-N 0 1 382.472 1.593 20 0 GDADMN NC(=O)c1csc(CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826394023 608585483 /nfs/dbraw/zinc/58/54/83/608585483.db2.gz TXVZTVPVAGOXQZ-UHFFFAOYSA-N 0 1 383.481 1.739 20 0 GDADMN C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C[C@H]1O ZINC000824969816 608586030 /nfs/dbraw/zinc/58/60/30/608586030.db2.gz VBDOSXSFWDCJIC-NQBHXWOUSA-N 0 1 390.513 1.694 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C[C@H]1O ZINC000824969816 608586031 /nfs/dbraw/zinc/58/60/31/608586031.db2.gz VBDOSXSFWDCJIC-NQBHXWOUSA-N 0 1 390.513 1.694 20 0 GDADMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1F ZINC000826223460 608645027 /nfs/dbraw/zinc/64/50/27/608645027.db2.gz NMVHGSBHQOXUGK-CYBMUJFWSA-N 0 1 382.465 1.300 20 0 GDADMN CCCc1nc([C@H]2CN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCO2)n[nH]1 ZINC000825352438 608738940 /nfs/dbraw/zinc/73/89/40/608738940.db2.gz NHFZYAIKCUYNCW-CQSZACIVSA-N 0 1 394.443 1.159 20 0 GDADMN CCCc1n[nH]c([C@H]2CN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCO2)n1 ZINC000825352438 608738942 /nfs/dbraw/zinc/73/89/42/608738942.db2.gz NHFZYAIKCUYNCW-CQSZACIVSA-N 0 1 394.443 1.159 20 0 GDADMN O=C(NCCN1CCc2ccccc2C1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826437537 609194228 /nfs/dbraw/zinc/19/42/28/609194228.db2.gz PLWSSWYWBATBHO-SFHVURJKSA-N 0 1 378.436 1.075 20 0 GDADMN O=C(c1cccc2nn[nH]c21)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826474321 609269258 /nfs/dbraw/zinc/26/92/58/609269258.db2.gz KZHBFFGQPGMPRX-UHFFFAOYSA-N 0 1 389.423 1.491 20 0 GDADMN O=S(=O)(CCN1CCC[C@H]1C1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484634 609283712 /nfs/dbraw/zinc/28/37/12/609283712.db2.gz KAKRJBSMTUWQPM-KRWDZBQOSA-N 0 1 391.497 1.531 20 0 GDADMN C[C@@]1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCCOC1 ZINC000824784231 609294020 /nfs/dbraw/zinc/29/40/20/609294020.db2.gz PIYUASITSRJDNQ-GOSISDBHSA-N 0 1 387.444 1.197 20 0 GDADMN Cc1nscc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826340470 609294691 /nfs/dbraw/zinc/29/46/91/609294691.db2.gz ZTIOEMWAFQPKIJ-UHFFFAOYSA-N 0 1 386.441 1.459 20 0 GDADMN Cn1cc(CNCC(=O)NCC(F)(F)F)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360918 609337769 /nfs/dbraw/zinc/33/77/69/609337769.db2.gz CRYQRMQDXANRHQ-UHFFFAOYSA-N 0 1 394.361 1.035 20 0 GDADMN CC[NH+]1CCC(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000825450821 609356214 /nfs/dbraw/zinc/35/62/14/609356214.db2.gz DKLDMEKBWZNXAA-UHFFFAOYSA-N 0 1 399.434 1.797 20 0 GDADMN CN(CCc1ccncc1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825946370 609489571 /nfs/dbraw/zinc/48/95/71/609489571.db2.gz VLMBLWWYFBIVSB-SFHVURJKSA-N 0 1 377.452 1.932 20 0 GDADMN CC(C)n1cc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000824371478 609600942 /nfs/dbraw/zinc/60/09/42/609600942.db2.gz HCWMEJAOJMWIDC-QGZVFWFLSA-N 0 1 380.456 1.929 20 0 GDADMN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000826459771 609622161 /nfs/dbraw/zinc/62/21/61/609622161.db2.gz YXSIMNRJIXRZQX-UHFFFAOYSA-N 0 1 393.342 1.164 20 0 GDADMN C[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000530883326 649983473 /nfs/dbraw/zinc/98/34/73/649983473.db2.gz MRRJDXWSQRIGIN-RYUDHWBXSA-N 0 1 388.295 1.637 20 0 GDADMN CN(C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(Cl)c1 ZINC000533176431 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C[C@@H](NC(=O)c1cn[nH]c1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571271360 945642385 /nfs/dbraw/zinc/64/23/85/945642385.db2.gz AVUGFPKXRKOMCP-VXGBXAGGSA-N 0 1 386.485 1.682 20 0 GDADMN Cc1nc(CN2CC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)sc1C ZINC001571271821 945651979 /nfs/dbraw/zinc/65/19/79/945651979.db2.gz KLWYZBHTORXRHW-GFCCVEGCSA-N 0 1 386.485 1.520 20 0 GDADMN CCn1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571272659 945667152 /nfs/dbraw/zinc/66/71/52/945667152.db2.gz YDULIKDCPDOWRT-CYBMUJFWSA-N 0 1 386.485 1.491 20 0 GDADMN C[C@H](NCc1nncs1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571280967 945794752 /nfs/dbraw/zinc/79/47/52/945794752.db2.gz AUUCTOXUDLOXEN-JTQLQIEISA-N 0 1 387.473 1.077 20 0 GDADMN CCc1cc(C(=O)N2C[C@H](Nc3snc(C)c3-c3nn[nH]n3)[C@@H](C)C2)n[nH]1 ZINC001571281176 945800816 /nfs/dbraw/zinc/80/08/16/945800816.db2.gz DYMNQIKCQCRUTP-UFBFGSQYSA-N 0 1 387.473 1.490 20 0 GDADMN O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1ccncc1-c1nn[nH]n1)[C@H]1CC12CC2 ZINC001571282096 945826712 /nfs/dbraw/zinc/82/67/12/945826712.db2.gz CXTDWEIUIWFEEU-KBAYOESNSA-N 0 1 387.447 1.678 20 0 GDADMN Cc1cc(C(=O)N(C)[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3Cl)C2)n[nH]1 ZINC001571285205 945911468 /nfs/dbraw/zinc/91/14/68/945911468.db2.gz ZLSDLHPYNJZGAB-LLVKDONJSA-N 0 1 387.835 1.298 20 0 GDADMN O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)[C@@H]1CCC1(F)F ZINC001571286551 945950430 /nfs/dbraw/zinc/95/04/30/945950430.db2.gz KPZROIPNEOJOSH-JONQDZQNSA-N 0 1 388.422 1.706 20 0 GDADMN CCO[C@H]1C[C@@H]1C(=O)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287856 945981288 /nfs/dbraw/zinc/98/12/88/945981288.db2.gz JOCJRVBFMSCTFS-IRXDYDNUSA-N 0 1 388.447 1.511 20 0 GDADMN C[C@@H]1CO[C@@H](C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001571288934 945996060 /nfs/dbraw/zinc/99/60/60/945996060.db2.gz USRKAPUFMMWUAT-YVEFUNNKSA-N 0 1 388.447 1.511 20 0 GDADMN COc1cc(CN[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571289556 946010027 /nfs/dbraw/zinc/01/00/27/946010027.db2.gz HMAXJEYJGICKAG-GXSJLCMTSA-N 0 1 388.457 1.053 20 0 GDADMN Cc1[nH]c(=O)[nH]c1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571290160 946032385 /nfs/dbraw/zinc/03/23/85/946032385.db2.gz WMSDQLMIFGDEAA-MRXNPFEDSA-N 0 1 388.457 1.060 20 0 GDADMN Cc1[nH]c(=O)[nH]c1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571290160 946032398 /nfs/dbraw/zinc/03/23/98/946032398.db2.gz WMSDQLMIFGDEAA-MRXNPFEDSA-N 0 1 388.457 1.060 20 0 GDADMN CC[C@H](SC)C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571294922 946148071 /nfs/dbraw/zinc/14/80/71/946148071.db2.gz MOGKRUGNYXUMJP-CJNGLKHVSA-N 0 1 389.529 1.996 20 0 GDADMN O=C(c1ccc(C2CC2)cc1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571297963 946202144 /nfs/dbraw/zinc/20/21/44/946202144.db2.gz FQPHNXCJLWAJNO-MRXNPFEDSA-N 0 1 390.451 1.673 20 0 GDADMN O=C(N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C1(c2cccnc2)CC1 ZINC001571298268 946210825 /nfs/dbraw/zinc/21/08/25/946210825.db2.gz MBKQETKELLNKCA-HNNXBMFYSA-N 0 1 390.451 1.213 20 0 GDADMN O=C(CCC[NH2+]Cc1ccc(-c2nn[n-]n2)o1)N1CCN(c2ccccc2)CC1 ZINC000822958907 946235119 /nfs/dbraw/zinc/23/51/19/946235119.db2.gz MQHJKLKZCGTGRW-UHFFFAOYSA-N 0 1 395.467 1.678 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC001571299383 946249695 /nfs/dbraw/zinc/24/96/95/946249695.db2.gz LZYHHJDXJMJKIV-KGLIPLIRSA-N 0 1 390.513 1.778 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC001571299383 946249704 /nfs/dbraw/zinc/24/97/04/946249704.db2.gz LZYHHJDXJMJKIV-KGLIPLIRSA-N 0 1 390.513 1.778 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1ccnc(C2CC2)n1 ZINC001571299562 946255034 /nfs/dbraw/zinc/25/50/34/946255034.db2.gz XFDSBMCWQRAIOE-OAHLLOKOSA-N 0 1 390.451 1.538 20 0 GDADMN C[C@H]1OCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299700 946259303 /nfs/dbraw/zinc/25/93/03/946259303.db2.gz OQRIUVWYDQKOAX-OCCSQVGLSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H]1OCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299700 946259315 /nfs/dbraw/zinc/25/93/15/946259315.db2.gz OQRIUVWYDQKOAX-OCCSQVGLSA-N 0 1 390.513 1.824 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@@]3(C)C2)cn1 ZINC001571299795 946261797 /nfs/dbraw/zinc/26/17/97/946261797.db2.gz VCQKBQGOVMRTAS-QRWLVFNGSA-N 0 1 390.451 1.564 20 0 GDADMN C[C@]1(NC(=O)c2ccc(C3CC3)cc2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571299780 946262548 /nfs/dbraw/zinc/26/25/48/946262548.db2.gz URJVQJRGKRNMMJ-FQEVSTJZSA-N 0 1 390.451 1.933 20 0 GDADMN O=C(c1cnns1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571300126 946271582 /nfs/dbraw/zinc/27/15/82/946271582.db2.gz VOHFFNAMNXXHOK-JTQLQIEISA-N 0 1 390.498 1.422 20 0 GDADMN O=C(c1cnns1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571300126 946271590 /nfs/dbraw/zinc/27/15/90/946271590.db2.gz VOHFFNAMNXXHOK-JTQLQIEISA-N 0 1 390.498 1.422 20 0 GDADMN O=C(C1CCC(O)CC1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571300263 946278673 /nfs/dbraw/zinc/27/86/73/946278673.db2.gz XYXVBDHWGLKEID-IYXRBSQSSA-N 0 1 390.513 1.417 20 0 GDADMN O=C(C1CCC(O)CC1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571300263 946278683 /nfs/dbraw/zinc/27/86/83/946278683.db2.gz XYXVBDHWGLKEID-IYXRBSQSSA-N 0 1 390.513 1.417 20 0 GDADMN Cc1ncncc1C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571305499 946365327 /nfs/dbraw/zinc/36/53/27/946365327.db2.gz CLFIMUJFNZFYTG-QMMMGPOBSA-N 0 1 391.848 1.084 20 0 GDADMN Cc1cnc(C(=O)N[C@@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)cn1 ZINC001571306570 946405538 /nfs/dbraw/zinc/40/55/38/946405538.db2.gz XRDRXGYMKLTJLV-MRVPVSSYSA-N 0 1 391.848 1.084 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571307880 946427524 /nfs/dbraw/zinc/42/75/24/946427524.db2.gz IVKJEMBURKHOKK-PHIMTYICSA-N 0 1 392.414 1.518 20 0 GDADMN Cc1cc(NC[C@@H]2CCN(C(=O)c3ccncc3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314767 946544616 /nfs/dbraw/zinc/54/46/16/946544616.db2.gz CKZCAFWORVNMDP-CJNGLKHVSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)[C@H]2C)cnn1 ZINC001571315590 946555338 /nfs/dbraw/zinc/55/53/38/946555338.db2.gz LYDFXRCRUWPQBY-KBXCAEBGSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cc(C)cc(CC(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315800 946559313 /nfs/dbraw/zinc/55/93/13/946559313.db2.gz OIKJIGMYVISETK-MRXNPFEDSA-N 0 1 392.467 1.553 20 0 GDADMN Cc1cccc([C@H](C)C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315832 946560336 /nfs/dbraw/zinc/56/03/36/946560336.db2.gz PAMYLVDZKOKGGI-GOEBONIOSA-N 0 1 392.467 1.806 20 0 GDADMN Cc1cccc(CC(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316508 946579612 /nfs/dbraw/zinc/57/96/12/946579612.db2.gz FCFZZVOGVFPZKT-CVEARBPZSA-N 0 1 392.467 1.469 20 0 GDADMN Cn1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571316584 946582521 /nfs/dbraw/zinc/58/25/21/946582521.db2.gz HFWKWPPWSOPKKY-KURKYZTESA-N 0 1 392.467 1.064 20 0 GDADMN Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316636 946582985 /nfs/dbraw/zinc/58/29/85/946582985.db2.gz IYIPIAUNUCHGHG-HUUCEWRRSA-N 0 1 392.467 1.854 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]nc1C1CC1 ZINC001571317120 946602303 /nfs/dbraw/zinc/60/23/03/946602303.db2.gz VQNNAJLJGHMCEN-MRXNPFEDSA-N 0 1 392.467 1.862 20 0 GDADMN Cc1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001571317214 946604799 /nfs/dbraw/zinc/60/47/99/946604799.db2.gz YBUCRRUILICAJH-SQNIBIBYSA-N 0 1 392.467 1.293 20 0 GDADMN C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506082 946752674 /nfs/dbraw/zinc/75/26/74/946752674.db2.gz LAOQHYQGWCOPPS-HIFRSBDPSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824506082 946752681 /nfs/dbraw/zinc/75/26/81/946752681.db2.gz LAOQHYQGWCOPPS-HIFRSBDPSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506082 946752688 /nfs/dbraw/zinc/75/26/88/946752688.db2.gz LAOQHYQGWCOPPS-HIFRSBDPSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824506082 946752692 /nfs/dbraw/zinc/75/26/92/946752692.db2.gz LAOQHYQGWCOPPS-HIFRSBDPSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H](NCC(=O)NCCOc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562357 946801872 /nfs/dbraw/zinc/80/18/72/946801872.db2.gz GCXWYLXCPMMOMH-ZDUSSCGKSA-N 0 1 384.415 1.852 20 0 GDADMN CC(=O)c1ccc(CCNS(=O)(=O)c2ccsc2-c2nn[nH]n2)cc1 ZINC001573555559 946912027 /nfs/dbraw/zinc/91/20/27/946912027.db2.gz AZBXGYHYUCZWEZ-UHFFFAOYSA-N 0 1 377.451 1.652 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000327045023 971359502 /nfs/dbraw/zinc/35/95/02/971359502.db2.gz XNHUPVUHOLIZGN-QWHCGFSZSA-N 0 1 388.873 1.952 20 0 GDADMN C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)c(F)c1 ZINC001573603429 947487927 /nfs/dbraw/zinc/48/79/27/947487927.db2.gz GPPRZGOAZFNDJD-JTQLQIEISA-N 0 1 388.382 1.031 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001573604474 947511356 /nfs/dbraw/zinc/51/13/56/947511356.db2.gz UWIMCOATJSSRDU-CYBMUJFWSA-N 0 1 386.435 1.354 20 0 GDADMN C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573350362 947596245 /nfs/dbraw/zinc/59/62/45/947596245.db2.gz AQKNRLNBBJHNBC-IYBDPMFKSA-N 0 1 388.435 1.793 20 0 GDADMN C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573617880 947643527 /nfs/dbraw/zinc/64/35/27/947643527.db2.gz QAOLNRYBBNKBDA-ZDUSSCGKSA-N 0 1 384.488 1.698 20 0 GDADMN CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000826222749 947660230 /nfs/dbraw/zinc/66/02/30/947660230.db2.gz LBYFCHIFAVQKPH-UHFFFAOYSA-N 0 1 393.450 1.212 20 0 GDADMN C/C(=C/C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573363995 947716210 /nfs/dbraw/zinc/71/62/10/947716210.db2.gz OTGCVLPFPZXTKN-ZBJRGFNVSA-N 0 1 382.472 1.616 20 0 GDADMN C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cccn1 ZINC001573627096 947717841 /nfs/dbraw/zinc/71/78/41/947717841.db2.gz YRCDJXIRGZBCNW-GFCCVEGCSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)n1cccn1 ZINC001573627096 947717848 /nfs/dbraw/zinc/71/78/48/947717848.db2.gz YRCDJXIRGZBCNW-GFCCVEGCSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573627502 947723474 /nfs/dbraw/zinc/72/34/74/947723474.db2.gz CQXPYWQPPWPFQB-UKRRQHHQSA-N 0 1 384.488 1.910 20 0 GDADMN C/C(=C\C(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C1CC1 ZINC001573364967 947728119 /nfs/dbraw/zinc/72/81/19/947728119.db2.gz RZQITYKDQDQBRZ-BNCSFYMNSA-N 0 1 381.484 1.999 20 0 GDADMN Cc1cc(C2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]n1 ZINC000826265969 947768973 /nfs/dbraw/zinc/76/89/73/947768973.db2.gz VZLMTRCZXRCUSM-UHFFFAOYSA-N 0 1 380.456 1.394 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573629059 947771622 /nfs/dbraw/zinc/77/16/22/947771622.db2.gz QJXNRDUJUQKTMW-UKRRQHHQSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573629251 947774960 /nfs/dbraw/zinc/77/49/60/947774960.db2.gz MZDSLIGLDQSLKH-ZIAGYGMSSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573629813 947784545 /nfs/dbraw/zinc/78/45/45/947784545.db2.gz VWTOXZUFGDBFQT-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573374163 947807248 /nfs/dbraw/zinc/80/72/48/947807248.db2.gz NADCVJJOKKGXJT-WBMJQRKESA-N 0 1 385.472 1.400 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573374628 947812192 /nfs/dbraw/zinc/81/21/92/947812192.db2.gz KOMCOMBTQJXDGG-DZGCQCFKSA-N 0 1 385.472 1.803 20 0 GDADMN C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)(C)C ZINC001573644067 947867069 /nfs/dbraw/zinc/86/70/69/947867069.db2.gz XTFJOHBFTNCDCT-CHWSQXEVSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)(C)C ZINC001573644067 947867081 /nfs/dbraw/zinc/86/70/81/947867081.db2.gz XTFJOHBFTNCDCT-CHWSQXEVSA-N 0 1 392.529 1.927 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H](C)N(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573381343 947872733 /nfs/dbraw/zinc/87/27/33/947872733.db2.gz TXDCESHFTQAJPN-LBPRGKRZSA-N 0 1 376.436 1.702 20 0 GDADMN C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573655732 947979702 /nfs/dbraw/zinc/97/97/02/947979702.db2.gz YOVJBJQNALASGD-RKDXNWHRSA-N 0 1 386.382 1.220 20 0 GDADMN Cc1onc(CC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343039 947986198 /nfs/dbraw/zinc/98/61/98/947986198.db2.gz JTIROFPWDBTMEC-UHFFFAOYSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343039 947986207 /nfs/dbraw/zinc/98/62/07/947986207.db2.gz JTIROFPWDBTMEC-UHFFFAOYSA-N 0 1 395.467 1.829 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573670343 948101527 /nfs/dbraw/zinc/10/15/27/948101527.db2.gz AYVKKARVASQFHA-RDTXWAMCSA-N 0 1 377.452 1.756 20 0 GDADMN Cn1cc(CN2CCC[C@H]2C(=O)NC2CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360685 948124606 /nfs/dbraw/zinc/12/46/06/948124606.db2.gz UHUVDHMYWQNAHU-KRWDZBQOSA-N 0 1 392.467 1.510 20 0 GDADMN Cn1cc(CN2CCS[C@@H]3COCC[C@H]32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361349 948131902 /nfs/dbraw/zinc/13/19/02/948131902.db2.gz UDRVOZSXHMRTQN-IAGOWNOFSA-N 0 1 397.508 1.974 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)C1CCCC1 ZINC001573691440 948243808 /nfs/dbraw/zinc/24/38/08/948243808.db2.gz HAHWXXJILBAHQB-ZDUSSCGKSA-N 0 1 384.488 1.746 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573704905 948387164 /nfs/dbraw/zinc/38/71/64/948387164.db2.gz UTZRUSGEAGVUFW-GHMZBOCLSA-N 0 1 383.378 1.793 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573705416 948400330 /nfs/dbraw/zinc/40/03/30/948400330.db2.gz WNIILRKHVWAQPX-ZIAGYGMSSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@H](C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573706963 948427195 /nfs/dbraw/zinc/42/71/95/948427195.db2.gz LSTJLIZHTVVOLW-AWEZNQCLSA-N 0 1 377.452 1.613 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573714108 948469252 /nfs/dbraw/zinc/46/92/52/948469252.db2.gz DRSGQILCQKVZET-GJZGRUSLSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573714981 948481223 /nfs/dbraw/zinc/48/12/23/948481223.db2.gz MLDXWGZBXSRVQZ-KBPBESRZSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573726229 948548192 /nfs/dbraw/zinc/54/81/92/948548192.db2.gz GHBQQSSWAOQPTN-IHRRRGAJSA-N 0 1 384.488 1.459 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)c1ccco1 ZINC001573728922 948564286 /nfs/dbraw/zinc/56/42/86/948564286.db2.gz RHCMXWAOLMDHLK-MGPQQGTHSA-N 0 1 381.440 1.847 20 0 GDADMN C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573739921 948626341 /nfs/dbraw/zinc/62/63/41/948626341.db2.gz IPJMLGQFJGWJJN-UXEPBGEESA-N 0 1 390.451 1.319 20 0 GDADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N(C)[C@@H]1CCC[C@H]1O ZINC001573755298 948760174 /nfs/dbraw/zinc/76/01/74/948760174.db2.gz OIUIOCCYVYXNMI-YUSALJHKSA-N 0 1 376.486 1.589 20 0 GDADMN CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001574080154 948785113 /nfs/dbraw/zinc/78/51/13/948785113.db2.gz IMIOWLIUKUQIOU-BZPMIXESSA-N 0 1 376.440 1.229 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574419590 948787166 /nfs/dbraw/zinc/78/71/66/948787166.db2.gz FRVUVDBMHCNHJH-SHTZXODSSA-N 0 1 378.440 1.575 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574419983 948793330 /nfs/dbraw/zinc/79/33/30/948793330.db2.gz NHKUHXVABPWQNV-HNNXBMFYSA-N 0 1 378.440 1.789 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574422021 948825398 /nfs/dbraw/zinc/82/53/98/948825398.db2.gz UTQQYFBFWYCIIT-LBPRGKRZSA-N 0 1 382.428 1.629 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cn(C)cn1 ZINC001574684191 948860280 /nfs/dbraw/zinc/86/02/80/948860280.db2.gz CALHAKQWTPWPGH-SSDOTTSWSA-N 0 1 381.853 1.331 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C1=COCCC1 ZINC001574684491 948873135 /nfs/dbraw/zinc/87/31/35/948873135.db2.gz HJSUZMNPVTVJNJ-MRVPVSSYSA-N 0 1 383.865 1.978 20 0 GDADMN CC(F)(F)CCC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234355 948900251 /nfs/dbraw/zinc/90/02/51/948900251.db2.gz BHGWDMXYLHDFBN-LLVKDONJSA-N 0 1 380.403 1.165 20 0 GDADMN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001573765813 948926128 /nfs/dbraw/zinc/92/61/28/948926128.db2.gz JMGSUZWHGHAUFW-GJZGRUSLSA-N 0 1 390.451 1.424 20 0 GDADMN C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574923390 948944784 /nfs/dbraw/zinc/94/47/84/948944784.db2.gz LGUPBNFJXWNYBF-NSHDSACASA-N 0 1 389.851 1.143 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574433098 948945019 /nfs/dbraw/zinc/94/50/19/948945019.db2.gz GPGQGEBTHNQIPN-GFCCVEGCSA-N 0 1 383.460 1.113 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433852 948966502 /nfs/dbraw/zinc/96/65/02/948966502.db2.gz SUAGBAVYJBJPNS-NXEZZACHSA-N 0 1 387.473 1.277 20 0 GDADMN CC(C)(C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C(F)F ZINC001573772867 948971192 /nfs/dbraw/zinc/97/11/92/948971192.db2.gz XIMLTBMIVVRFOY-UHFFFAOYSA-N 0 1 392.414 1.209 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCCO1 ZINC001573773742 948994258 /nfs/dbraw/zinc/99/42/58/948994258.db2.gz GOQWUIUALLSZBP-HNNXBMFYSA-N 0 1 385.472 1.340 20 0 GDADMN CC(C)c1nnsc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574439125 949001469 /nfs/dbraw/zinc/00/14/69/949001469.db2.gz ABOGQUVHNMLGRU-SECBINFHSA-N 0 1 392.514 1.811 20 0 GDADMN CC(C)c1nnsc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574439125 949001483 /nfs/dbraw/zinc/00/14/83/949001483.db2.gz ABOGQUVHNMLGRU-SECBINFHSA-N 0 1 392.514 1.811 20 0 GDADMN CC(C)(C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCC1 ZINC001573779645 949066154 /nfs/dbraw/zinc/06/61/54/949066154.db2.gz LDOQNWSUVBMYHO-UHFFFAOYSA-N 0 1 384.488 1.443 20 0 GDADMN CC(C)c1nocc1C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574443270 949109699 /nfs/dbraw/zinc/10/96/99/949109699.db2.gz WUIPPGXRWGNAEE-UHFFFAOYSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573787558 949183620 /nfs/dbraw/zinc/18/36/20/949183620.db2.gz WIOBRQKVSPTRLH-BETUJISGSA-N 0 1 387.463 1.939 20 0 GDADMN C[C@@H](NC(=O)C(C1CCC1)C1CCC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575253525 949190160 /nfs/dbraw/zinc/19/01/60/949190160.db2.gz UOXKBIPIWYCGIK-VXGBXAGGSA-N 0 1 384.488 1.600 20 0 GDADMN CC(C)c1oncc1C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574448885 949192462 /nfs/dbraw/zinc/19/24/62/949192462.db2.gz OGMCMUHPAFRDDX-UHFFFAOYSA-N 0 1 382.428 1.772 20 0 GDADMN C[C@@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575253582 949193133 /nfs/dbraw/zinc/19/31/33/949193133.db2.gz KUYCUYFDBISZIQ-CHWSQXEVSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001575254372 949201897 /nfs/dbraw/zinc/20/18/97/949201897.db2.gz VSSULFJEMJMOHJ-UONOGXRCSA-N 0 1 380.456 1.261 20 0 GDADMN CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574451270 949226373 /nfs/dbraw/zinc/22/63/73/949226373.db2.gz JOENARBXIJPSJO-JTQLQIEISA-N 0 1 387.473 1.231 20 0 GDADMN C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575255423 949230398 /nfs/dbraw/zinc/23/03/98/949230398.db2.gz QBVMSIWFKTVFQA-CHWSQXEVSA-N 0 1 388.451 1.518 20 0 GDADMN C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576152543 949253803 /nfs/dbraw/zinc/25/38/03/949253803.db2.gz JJWWKIZDUIWCSO-ORAYPTAESA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001573792813 949269942 /nfs/dbraw/zinc/26/99/42/949269942.db2.gz DVXRBXZSFHMOFV-KKSFZXQISA-N 0 1 396.495 1.953 20 0 GDADMN C[C@@]1(c2cccc(C[NH2+]Cc3csc(-c4nnn[n-]4)c3)c2)NC(=O)NC1=O ZINC001575857836 949278068 /nfs/dbraw/zinc/27/80/68/949278068.db2.gz WQJFEPKQJGZMIT-KRWDZBQOSA-N 0 1 383.437 1.273 20 0 GDADMN C[C@H]1CCC[C@]1(C)C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576153324 949281879 /nfs/dbraw/zinc/28/18/79/949281879.db2.gz LVCGZAHIPFOWJE-DJJJIMSYSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576153325 949282803 /nfs/dbraw/zinc/28/28/03/949282803.db2.gz LVCGZAHIPFOWJE-ORAYPTAESA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575865349 949367749 /nfs/dbraw/zinc/36/77/49/949367749.db2.gz AHWADWXNMZGECD-NXEZZACHSA-N 0 1 380.403 1.422 20 0 GDADMN CC(C)n1ccc(CNC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C2CC2)n1 ZINC001574460663 949375613 /nfs/dbraw/zinc/37/56/13/949375613.db2.gz WDMYMWUAELTDIY-INIZCTEOSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575865379 949375744 /nfs/dbraw/zinc/37/57/44/949375744.db2.gz AHWADWXNMZGECD-ZJUUUORDSA-N 0 1 380.403 1.422 20 0 GDADMN C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576155322 949394074 /nfs/dbraw/zinc/39/40/74/949394074.db2.gz IBAYIQLDFKLHPX-UKRRQHHQSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576155323 949394837 /nfs/dbraw/zinc/39/48/37/949394837.db2.gz IBAYIQLDFKLHPX-ZFWWWQNUSA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574464227 949403171 /nfs/dbraw/zinc/40/31/71/949403171.db2.gz GQEGUVRBCNJNDD-CYBMUJFWSA-N 0 1 381.444 1.390 20 0 GDADMN CC(C)(C)C(=O)NC[C@]1(O)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573802193 949413390 /nfs/dbraw/zinc/41/33/90/949413390.db2.gz GQIMNFGJUOZNPC-CQSZACIVSA-N 0 1 385.881 1.080 20 0 GDADMN C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575264133 949417390 /nfs/dbraw/zinc/41/73/90/949417390.db2.gz LWNNTWFOKZEEMS-MNOVXSKESA-N 0 1 380.403 1.423 20 0 GDADMN CC(C)n1cnc(C(=O)NCCN(C)Cc2cc(F)ccc2-c2nn[nH]n2)c1 ZINC001574464680 949421588 /nfs/dbraw/zinc/42/15/88/949421588.db2.gz QZDZILXKJGPKCX-UHFFFAOYSA-N 0 1 386.435 1.645 20 0 GDADMN C[C@]1(C(=O)N2CC[C@@H](CCNc3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575534196 949424704 /nfs/dbraw/zinc/42/47/04/949424704.db2.gz KXLKLSLTLGRICA-KUHUBIRLSA-N 0 1 385.472 1.151 20 0 GDADMN CC1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575534547 949427670 /nfs/dbraw/zinc/42/76/70/949427670.db2.gz NOUKQZSHFGHTRA-LLVKDONJSA-N 0 1 392.414 1.165 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574705579 949429379 /nfs/dbraw/zinc/42/93/79/949429379.db2.gz ISGVKPBYQNDQDZ-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705579 949429427 /nfs/dbraw/zinc/42/94/27/949429427.db2.gz ISGVKPBYQNDQDZ-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705579 949429439 /nfs/dbraw/zinc/42/94/39/949429439.db2.gz ISGVKPBYQNDQDZ-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574705624 949436207 /nfs/dbraw/zinc/43/62/07/949436207.db2.gz JILCECJOXKHMRR-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4ccnc(-c5nn[nH]n5)n4)[C@@H]3C2)CCC1 ZINC001575534906 949437253 /nfs/dbraw/zinc/43/72/53/949437253.db2.gz RXOBOMHENGVKKR-MJBXVCDLSA-N 0 1 382.472 1.308 20 0 GDADMN CC(C)(C)C(=O)NC[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1 ZINC001573803302 949437975 /nfs/dbraw/zinc/43/79/75/949437975.db2.gz QGRFHNLUIHHEMX-OAHLLOKOSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)n1ncc(C(=O)N[C@H](C)CNc2ccncc2-c2nn[nH]n2)c1Cl ZINC001574468046 949454514 /nfs/dbraw/zinc/45/45/14/949454514.db2.gz GBMNQIKGGUFUHU-SNVBAGLBSA-N 0 1 389.851 1.345 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001574468071 949455756 /nfs/dbraw/zinc/45/57/56/949455756.db2.gz HHHGKUKROBKMEK-UHFFFAOYSA-N 0 1 383.460 1.638 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574469852 949486473 /nfs/dbraw/zinc/48/64/73/949486473.db2.gz IRAPJVQFEBLESW-INIZCTEOSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)c1cnn[nH]1 ZINC001576158087 949491107 /nfs/dbraw/zinc/49/11/07/949491107.db2.gz RXEDZVGYQUJJKB-GTNSWQLSSA-N 0 1 382.432 1.171 20 0 GDADMN C[C@@H](NC(=O)CC1CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575267216 949498036 /nfs/dbraw/zinc/49/80/36/949498036.db2.gz HEPLDKZJINVLLV-GFCCVEGCSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](NC(=O)CCC(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575268186 949512519 /nfs/dbraw/zinc/51/25/19/949512519.db2.gz LVSZBFLNNKJKPO-JTQLQIEISA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](CN(C)C(=O)C1CCOCC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574710967 949520748 /nfs/dbraw/zinc/52/07/48/949520748.db2.gz CRKMXFPDNFQJTG-MRVPVSSYSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574949998 949522608 /nfs/dbraw/zinc/52/26/08/949522608.db2.gz JJDKKOPTYHRZNM-KBPBESRZSA-N 0 1 380.456 1.476 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574711917 949565302 /nfs/dbraw/zinc/56/53/02/949565302.db2.gz NZNCMLHVRXTBEK-ABAIWWIYSA-N 0 1 381.415 1.421 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574711919 949566832 /nfs/dbraw/zinc/56/68/32/949566832.db2.gz NZNCMLHVRXTBEK-NHYWBVRUSA-N 0 1 381.415 1.421 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873361 949578120 /nfs/dbraw/zinc/57/81/20/949578120.db2.gz OLFYVUHQRZJTRG-OCCSQVGLSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574712474 949580239 /nfs/dbraw/zinc/58/02/39/949580239.db2.gz SRJVUCYCNNADOK-GXTWGEPZSA-N 0 1 378.440 1.067 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCOC1 ZINC001573811594 949604603 /nfs/dbraw/zinc/60/46/03/949604603.db2.gz MHFZHCNNOOVTKH-BXUZGUMPSA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCOC1 ZINC001573811594 949604613 /nfs/dbraw/zinc/60/46/13/949604613.db2.gz MHFZHCNNOOVTKH-BXUZGUMPSA-N 0 1 378.502 1.585 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574714100 949623180 /nfs/dbraw/zinc/62/31/80/949623180.db2.gz CBHJZHMNMFWZPD-STQMWFEESA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574714100 949623198 /nfs/dbraw/zinc/62/31/98/949623198.db2.gz CBHJZHMNMFWZPD-STQMWFEESA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574714099 949624178 /nfs/dbraw/zinc/62/41/78/949624178.db2.gz CBHJZHMNMFWZPD-QWHCGFSZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574714099 949624186 /nfs/dbraw/zinc/62/41/86/949624186.db2.gz CBHJZHMNMFWZPD-QWHCGFSZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574714489 949629645 /nfs/dbraw/zinc/62/96/45/949629645.db2.gz DRFLLIBEQBOPKF-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN CCC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001589638612 949640941 /nfs/dbraw/zinc/64/09/41/949640941.db2.gz ANALFYLTGHLQQH-ROUUACIJSA-N 0 1 395.525 1.767 20 0 GDADMN CCC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589638612 949640954 /nfs/dbraw/zinc/64/09/54/949640954.db2.gz ANALFYLTGHLQQH-ROUUACIJSA-N 0 1 395.525 1.767 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716103 949678364 /nfs/dbraw/zinc/67/83/64/949678364.db2.gz MJWHQPFEYOOWTB-CJNGLKHVSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716060 949679325 /nfs/dbraw/zinc/67/93/25/949679325.db2.gz IAANNJVMBZPDEH-KBPBESRZSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574132679 949698189 /nfs/dbraw/zinc/69/81/89/949698189.db2.gz AQAOLNQPBVHROL-QLFBSQMISA-N 0 1 384.488 1.766 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574716708 949701903 /nfs/dbraw/zinc/70/19/03/949701903.db2.gz LEEYYZWNAYXTLF-IUCAKERBSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H](CN(C)C(=O)CCCCc1cn[nH]n1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574716960 949718235 /nfs/dbraw/zinc/71/82/35/949718235.db2.gz MTMBCWAHNBKKFK-LBPRGKRZSA-N 0 1 384.448 1.052 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574959791 949721248 /nfs/dbraw/zinc/72/12/48/949721248.db2.gz UERXVHCMARAOOO-BYCMXARLSA-N 0 1 383.481 1.721 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574959791 949721265 /nfs/dbraw/zinc/72/12/65/949721265.db2.gz UERXVHCMARAOOO-BYCMXARLSA-N 0 1 383.481 1.721 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574960244 949723819 /nfs/dbraw/zinc/72/38/19/949723819.db2.gz VUNGIOQSOHCYBC-JMJZKYOTSA-N 0 1 387.835 1.359 20 0 GDADMN C[C@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576171007 949741879 /nfs/dbraw/zinc/74/18/79/949741879.db2.gz OMPKMCSVEZRCBU-SUMWQHHRSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H]1CCCN(C(=O)CN2CCCC2)[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576171008 949744187 /nfs/dbraw/zinc/74/41/87/949744187.db2.gz ONZIRWYTOCSALS-GDBMZVCRSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882033 949749275 /nfs/dbraw/zinc/74/92/75/949749275.db2.gz FRMWKBVFPAZEOY-DGCLKSJQSA-N 0 1 384.469 1.434 20 0 GDADMN C[C@H](NC(=O)CCc1cncnc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277515 949752224 /nfs/dbraw/zinc/75/22/24/949752224.db2.gz QPDUGYPAELKWCL-AWEZNQCLSA-N 0 1 392.467 1.226 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718019 949759151 /nfs/dbraw/zinc/75/91/51/949759151.db2.gz REIVXFQNVWWZOP-STQMWFEESA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718019 949759165 /nfs/dbraw/zinc/75/91/65/949759165.db2.gz REIVXFQNVWWZOP-STQMWFEESA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574481019 949765411 /nfs/dbraw/zinc/76/54/11/949765411.db2.gz MCUJIEJCWGYVHR-GJZGRUSLSA-N 0 1 392.467 1.533 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172101 949789839 /nfs/dbraw/zinc/78/98/39/949789839.db2.gz UYFIELCQPZNWJW-OLZOCXBDSA-N 0 1 376.440 1.257 20 0 GDADMN CC(C)C[C@H](C)CN1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001574138497 949795295 /nfs/dbraw/zinc/79/52/95/949795295.db2.gz FBQHQEYQODVLJT-ZFWWWQNUSA-N 0 1 387.488 1.450 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC2CC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172116 949796520 /nfs/dbraw/zinc/79/65/20/949796520.db2.gz VGFFLRFIXSABNM-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576172322 949799461 /nfs/dbraw/zinc/79/94/61/949799461.db2.gz TZISXXTZNIMBFS-HIFRSBDPSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574721078 949810091 /nfs/dbraw/zinc/81/00/91/949810091.db2.gz IYBJPSRNSHUQAO-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574721078 949810115 /nfs/dbraw/zinc/81/01/15/949810115.db2.gz IYBJPSRNSHUQAO-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575281747 949819836 /nfs/dbraw/zinc/81/98/36/949819836.db2.gz AOWPSWZGRTUMNP-RKDXNWHRSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575281747 949819856 /nfs/dbraw/zinc/81/98/56/949819856.db2.gz AOWPSWZGRTUMNP-RKDXNWHRSA-N 0 1 386.913 1.622 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574722520 949837288 /nfs/dbraw/zinc/83/72/88/949837288.db2.gz UCTWWGULZMRTHG-ZDUSSCGKSA-N 0 1 383.431 1.714 20 0 GDADMN CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573823957 949848909 /nfs/dbraw/zinc/84/89/09/949848909.db2.gz BZFQCKRSKYLENH-RUXDESIVSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)C1 ZINC001573824497 949851592 /nfs/dbraw/zinc/85/15/92/949851592.db2.gz GNKWZKFXNJCTMU-RUXDESIVSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)Cc1c(F)cccc1F ZINC001575283149 949862354 /nfs/dbraw/zinc/86/23/54/949862354.db2.gz NVDRFSVEWURHOS-MNOVXSKESA-N 0 1 387.394 1.510 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574484194 949866521 /nfs/dbraw/zinc/86/65/21/949866521.db2.gz FFLOFXNOGJPUDZ-ZJUUUORDSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574725898 949912666 /nfs/dbraw/zinc/91/26/66/949912666.db2.gz VNXUWFLTTOIECI-CQSZACIVSA-N 0 1 380.456 1.079 20 0 GDADMN CC(C)(C)/C=C/C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573827116 949914898 /nfs/dbraw/zinc/91/48/98/949914898.db2.gz JTVKRPVZLNKICW-CSKARUKUSA-N 0 1 392.467 1.909 20 0 GDADMN C[C@]1(C(=O)NC2CCN(Cc3ccc(-c4nn[nH]n4)cc3F)CC2)CCOC1 ZINC001575569690 949924325 /nfs/dbraw/zinc/92/43/25/949924325.db2.gz NDJOMORJOWVVRQ-IBGZPJMESA-N 0 1 388.447 1.513 20 0 GDADMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001595277150 949930891 /nfs/dbraw/zinc/93/08/91/949930891.db2.gz WTYPBIKZNWTELJ-QZTJIDSGSA-N 0 1 388.464 1.560 20 0 GDADMN CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)CCCC1 ZINC001575570111 949932032 /nfs/dbraw/zinc/93/20/32/949932032.db2.gz PNNTUVVGDCLNLB-CYBMUJFWSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)(C)/C=C/C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573828734 949939688 /nfs/dbraw/zinc/93/96/88/949939688.db2.gz TUZRDUKYLJBSBC-RTRCTCDHSA-N 0 1 382.472 1.877 20 0 GDADMN C[C@H](CN(C)C(=O)COCC1CC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574726919 949947945 /nfs/dbraw/zinc/94/79/45/949947945.db2.gz MKWZQSNTQMJPEB-MRVPVSSYSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H](CN(C)C(=O)COCC1CC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574726920 949950581 /nfs/dbraw/zinc/95/05/81/949950581.db2.gz MKWZQSNTQMJPEB-QMMMGPOBSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001574489361 949961628 /nfs/dbraw/zinc/96/16/28/949961628.db2.gz JEBZIVGGZJKRQQ-CJNGLKHVSA-N 0 1 392.467 1.579 20 0 GDADMN CCC[N@H+](CCS(=O)(=O)CC(=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001589674264 949973404 /nfs/dbraw/zinc/97/34/04/949973404.db2.gz IZBHJQHNGOPSFB-CYBMUJFWSA-N 0 1 378.491 1.207 20 0 GDADMN CCC[N@@H+](CCS(=O)(=O)CC(=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001589674264 949973415 /nfs/dbraw/zinc/97/34/15/949973415.db2.gz IZBHJQHNGOPSFB-CYBMUJFWSA-N 0 1 378.491 1.207 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cccnc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574728476 949991865 /nfs/dbraw/zinc/99/18/65/949991865.db2.gz BDUUGIWDKNNMNT-ZDUSSCGKSA-N 0 1 383.431 1.580 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574491794 950043517 /nfs/dbraw/zinc/04/35/17/950043517.db2.gz GDCMJRAZPKWVBY-ZJUUUORDSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574492388 950083811 /nfs/dbraw/zinc/08/38/11/950083811.db2.gz AMYOCWCSDWXSMN-ZIAGYGMSSA-N 0 1 380.456 1.791 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734241 950132168 /nfs/dbraw/zinc/13/21/68/950132168.db2.gz LCHFQHOQROPRBQ-VHDGCEQUSA-N 0 1 378.440 1.141 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574734417 950132664 /nfs/dbraw/zinc/13/26/64/950132664.db2.gz MBELPQBDUMSROZ-OXHZDVMGSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574734417 950132677 /nfs/dbraw/zinc/13/26/77/950132677.db2.gz MBELPQBDUMSROZ-OXHZDVMGSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184585 950132873 /nfs/dbraw/zinc/13/28/73/950132873.db2.gz WRXUUKJMPLUXJE-GXTWGEPZSA-N 0 1 381.444 1.150 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccnnc2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897626 950138963 /nfs/dbraw/zinc/13/89/63/950138963.db2.gz PILKUZANSIJMHJ-SUMWQHHRSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cnccn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897699 950146057 /nfs/dbraw/zinc/14/60/57/950146057.db2.gz QFVIVSUMSAYYSM-BBRMVZONSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574982563 950172439 /nfs/dbraw/zinc/17/24/39/950172439.db2.gz DJPLBJURDZYWDQ-LLVKDONJSA-N 0 1 383.460 1.537 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cncc(F)c1 ZINC001574157532 950241886 /nfs/dbraw/zinc/24/18/86/950241886.db2.gz CJFGDQGUCNDHLN-CQSZACIVSA-N 0 1 384.419 1.474 20 0 GDADMN CC1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC(F)(F)C1 ZINC001575588769 950251511 /nfs/dbraw/zinc/25/15/11/950251511.db2.gz RWWHUOFQGQUDNO-JTQLQIEISA-N 0 1 378.387 1.177 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c[nH]c2ccccc12)Nc1ccncc1-c1nn[nH]n1 ZINC001574742055 950264760 /nfs/dbraw/zinc/26/47/60/950264760.db2.gz GXPDMPKKRVUWGF-LBPRGKRZSA-N 0 1 376.424 1.738 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCCO1 ZINC001574158012 950269855 /nfs/dbraw/zinc/26/98/55/950269855.db2.gz MWSUJYUUCSIIMZ-LSDHHAIUSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)(C)OC(=O)CCC(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001573851117 950284217 /nfs/dbraw/zinc/28/42/17/950284217.db2.gz RRACHCBQRLJARA-UHFFFAOYSA-N 0 1 398.427 1.567 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1ccccc1 ZINC001574499952 950307184 /nfs/dbraw/zinc/30/71/84/950307184.db2.gz XPMIKHDONOIREI-AWEZNQCLSA-N 0 1 392.467 1.723 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001574501516 950336057 /nfs/dbraw/zinc/33/60/57/950336057.db2.gz FFIYPDDSNIOPJQ-KDOFPFPSSA-N 0 1 384.484 1.620 20 0 GDADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574160925 950348640 /nfs/dbraw/zinc/34/86/40/950348640.db2.gz RCEWZQQXFMBXFB-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574160925 950348659 /nfs/dbraw/zinc/34/86/59/950348659.db2.gz RCEWZQQXFMBXFB-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574502276 950371175 /nfs/dbraw/zinc/37/11/75/950371175.db2.gz LJEZVCNDWAZEQB-ZBFHGGJFSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc(F)ccc1F ZINC001574745285 950375391 /nfs/dbraw/zinc/37/53/91/950375391.db2.gz HTHBNGHGWOSWLY-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN CC(C)CC1(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162457 950378954 /nfs/dbraw/zinc/37/89/54/950378954.db2.gz AUHSHWMIWNUTKB-ZIAGYGMSSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)n1ccc(CN[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C)n1 ZINC001575909067 950386471 /nfs/dbraw/zinc/38/64/71/950386471.db2.gz FODOMCKEAYXNDK-OCCSQVGLSA-N 0 1 383.460 1.365 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001574502684 950392007 /nfs/dbraw/zinc/39/20/07/950392007.db2.gz PUYOOLLCYVQRRJ-OAHLLOKOSA-N 0 1 379.468 1.868 20 0 GDADMN CC1(C(=O)NCC[C@@H](Cc2ccccc2)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575596916 950395340 /nfs/dbraw/zinc/39/53/40/950395340.db2.gz WENSMWHTJRCLDQ-HNNXBMFYSA-N 0 1 392.467 1.408 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC(Nc3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001576197502 950400801 /nfs/dbraw/zinc/40/08/01/950400801.db2.gz PAUXKVFHTINAIQ-CYBMUJFWSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(Nc3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001576197502 950400815 /nfs/dbraw/zinc/40/08/15/950400815.db2.gz PAUXKVFHTINAIQ-CYBMUJFWSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574503687 950418361 /nfs/dbraw/zinc/41/83/61/950418361.db2.gz YSWIKIGGLJSZRF-CHWSQXEVSA-N 0 1 382.428 1.529 20 0 GDADMN CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2c[nH]nc2-c2nn[nH]n2)s1 ZINC001573861127 950442128 /nfs/dbraw/zinc/44/21/28/950442128.db2.gz UWOBVSSBZPEZRM-UHFFFAOYSA-N 0 1 391.417 1.323 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574507397 950453902 /nfs/dbraw/zinc/45/39/02/950453902.db2.gz IFTCLGTWZDEDCU-VWPFQQQWSA-N 0 1 385.472 1.196 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751992 950470107 /nfs/dbraw/zinc/47/01/07/950470107.db2.gz SMDMVUCWHCRGSH-LLVKDONJSA-N 0 1 382.428 1.123 20 0 GDADMN CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573866748 950513423 /nfs/dbraw/zinc/51/34/23/950513423.db2.gz KYFZGRCAOQNPSZ-CQSZACIVSA-N 0 1 387.488 1.682 20 0 GDADMN CC(C)c1cccc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574753861 950543209 /nfs/dbraw/zinc/54/32/09/950543209.db2.gz ULBFDAJQDFNWQN-LBPRGKRZSA-N 0 1 381.444 1.170 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575615628 950569468 /nfs/dbraw/zinc/56/94/68/950569468.db2.gz DQVSPDQIUZEWOK-LLVKDONJSA-N 0 1 392.529 1.567 20 0 GDADMN C[C@@H](CNC(=O)CN1CCC(C)CC1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576206629 950579018 /nfs/dbraw/zinc/57/90/18/950579018.db2.gz YLFSOMKAYLKQQI-ZDUSSCGKSA-N 0 1 390.467 1.297 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C(F)(F)F ZINC001574511984 950581153 /nfs/dbraw/zinc/58/11/53/950581153.db2.gz YUOHFACFXYILBA-KXUCPTDWSA-N 0 1 384.366 1.186 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575615873 950582421 /nfs/dbraw/zinc/58/24/21/950582421.db2.gz JQWTUTKMYFJWBD-GFCCVEGCSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001576213433 950628421 /nfs/dbraw/zinc/62/84/21/950628421.db2.gz AAATUHKEYKWKNC-HUUCEWRRSA-N 0 1 387.492 1.132 20 0 GDADMN C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576209220 950628893 /nfs/dbraw/zinc/62/88/93/950628893.db2.gz ZBBMWIOGYLKKJV-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576209220 950628904 /nfs/dbraw/zinc/62/89/04/950628904.db2.gz ZBBMWIOGYLKKJV-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573871785 950629138 /nfs/dbraw/zinc/62/91/38/950629138.db2.gz WVWVDJGTFBBBTK-TXEJJXNPSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573871785 950629147 /nfs/dbraw/zinc/62/91/47/950629147.db2.gz WVWVDJGTFBBBTK-TXEJJXNPSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(Cl)cs1 ZINC001575920256 950631990 /nfs/dbraw/zinc/63/19/90/950631990.db2.gz LZJHLZLMYQLYEM-PSASIEDQSA-N 0 1 390.860 1.509 20 0 GDADMN CC(C)CCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001574174480 950633738 /nfs/dbraw/zinc/63/37/38/950633738.db2.gz ISIIOFXTMNQHPN-ZIAGYGMSSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCc1cccnc1 ZINC001575921350 950636740 /nfs/dbraw/zinc/63/67/40/950636740.db2.gz NNBBVUCFSVCNKW-PBHICJAKSA-N 0 1 392.467 1.503 20 0 GDADMN C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001889 950644864 /nfs/dbraw/zinc/64/48/64/950644864.db2.gz ODZBWNHXPNZZBN-NSHDSACASA-N 0 1 386.485 1.297 20 0 GDADMN C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575001889 950644880 /nfs/dbraw/zinc/64/48/80/950644880.db2.gz ODZBWNHXPNZZBN-NSHDSACASA-N 0 1 386.485 1.297 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccc(F)c1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574759906 950648522 /nfs/dbraw/zinc/64/85/22/950648522.db2.gz PVTMMYQOMCEHHS-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001573873701 950657689 /nfs/dbraw/zinc/65/76/89/950657689.db2.gz YVYALQGYSYIQAE-HALDLXJZSA-N 0 1 388.447 1.367 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001575925391 950683979 /nfs/dbraw/zinc/68/39/79/950683979.db2.gz URNAWGXBRSODIO-FZMZJTMJSA-N 0 1 389.423 1.275 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575926831 950724585 /nfs/dbraw/zinc/72/45/85/950724585.db2.gz MDGXSRHADFYNRW-ZWNOBZJWSA-N 0 1 386.847 1.391 20 0 GDADMN CC(C)CCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574182513 950760049 /nfs/dbraw/zinc/76/00/49/950760049.db2.gz XHZBJQHVAIONST-QGZVFWFLSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)CCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574182513 950760068 /nfs/dbraw/zinc/76/00/68/950760068.db2.gz XHZBJQHVAIONST-QGZVFWFLSA-N 0 1 378.502 1.417 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncs1 ZINC001575928129 950775987 /nfs/dbraw/zinc/77/59/87/950775987.db2.gz YZBNRBAYTWRVEY-BXUZGUMPSA-N 0 1 384.469 1.174 20 0 GDADMN CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574184797 950782397 /nfs/dbraw/zinc/78/23/97/950782397.db2.gz NLWHBRCVADWLBW-AWEZNQCLSA-N 0 1 375.477 1.344 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncccn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574766128 950808401 /nfs/dbraw/zinc/80/84/01/950808401.db2.gz KCZTTWBIOLIUKX-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573885036 950811303 /nfs/dbraw/zinc/81/13/03/950811303.db2.gz MZQDVGYZTKMCTE-PHIMTYICSA-N 0 1 381.444 1.077 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576221339 950852021 /nfs/dbraw/zinc/85/20/21/950852021.db2.gz ZXWWEFXPXJADJS-GXFFZTMASA-N 0 1 379.415 1.624 20 0 GDADMN CC(C)CCCC(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574188650 950855826 /nfs/dbraw/zinc/85/58/26/950855826.db2.gz YPZKPSPACFXBJR-HNNXBMFYSA-N 0 1 387.488 1.539 20 0 GDADMN C[C@@H](CN(C)C(=O)c1csc(Cl)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574767560 950860614 /nfs/dbraw/zinc/86/06/14/950860614.db2.gz RAPOCXHJICVJBJ-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN CC1(C)C[C@@H](NC(=O)[C@H]2CCOC2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575641352 950914313 /nfs/dbraw/zinc/91/43/13/950914313.db2.gz OHRYOSPISKFFGF-KBPBESRZSA-N 0 1 385.472 1.409 20 0 GDADMN CC1CC(C(=O)N(C)C[C@@H](O)CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001575937216 950942094 /nfs/dbraw/zinc/94/20/94/950942094.db2.gz CVVDJTMEKRBQBH-HACHORDNSA-N 0 1 385.881 1.254 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC(C)(C)C1 ZINC001575642412 950943773 /nfs/dbraw/zinc/94/37/73/950943773.db2.gz UWNQELRSFADWNI-CHWSQXEVSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575937568 950952049 /nfs/dbraw/zinc/95/20/49/950952049.db2.gz KQBMZCVSUVFXHT-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575937568 950952057 /nfs/dbraw/zinc/95/20/57/950952057.db2.gz KQBMZCVSUVFXHT-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CCO1 ZINC001575937755 950962904 /nfs/dbraw/zinc/96/29/04/950962904.db2.gz HAHLBXHEAQTLHX-UKRRQHHQSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575020068 951052106 /nfs/dbraw/zinc/05/21/06/951052106.db2.gz XDYAVSLGYBQZTM-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575024684 951112439 /nfs/dbraw/zinc/11/24/39/951112439.db2.gz KRSCNDWGELYUCI-ZDUSSCGKSA-N 0 1 377.452 1.650 20 0 GDADMN C[C@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)[C@@H]1C(=O)[O-] ZINC000333617204 951131782 /nfs/dbraw/zinc/13/17/82/951131782.db2.gz SXBOAVFALMLMCB-LPHOPBHVSA-N 0 1 393.528 1.813 20 0 GDADMN C[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)[C@@H]1C(=O)[O-] ZINC000333617204 951131789 /nfs/dbraw/zinc/13/17/89/951131789.db2.gz SXBOAVFALMLMCB-LPHOPBHVSA-N 0 1 393.528 1.813 20 0 GDADMN CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)ccn1 ZINC001575034761 951257151 /nfs/dbraw/zinc/25/71/51/951257151.db2.gz DBRXKVVVZUPUMN-LBPRGKRZSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@@H](CNC(=O)c1ccnc(-n2cccc2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575036309 951291273 /nfs/dbraw/zinc/29/12/73/951291273.db2.gz QYJGANSYTFJCDK-ZDUSSCGKSA-N 0 1 389.423 1.100 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575042937 951377419 /nfs/dbraw/zinc/37/74/19/951377419.db2.gz DMFIJMLCPSNVQI-RYUDHWBXSA-N 0 1 381.444 1.008 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C)nc1Cl)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575043365 951389391 /nfs/dbraw/zinc/38/93/91/951389391.db2.gz RGCDGRASZLIVIS-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN CC(C)Oc1cncc(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)c1 ZINC001575045723 951431020 /nfs/dbraw/zinc/43/10/20/951431020.db2.gz GDBXCGZXOSYXPU-LBPRGKRZSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C)c1Cl)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575052371 951460795 /nfs/dbraw/zinc/46/07/95/951460795.db2.gz HPLIFRVPDSPWRH-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575053206 951476333 /nfs/dbraw/zinc/47/63/33/951476333.db2.gz RKDZCPBHWZDPNO-SECBINFHSA-N 0 1 391.386 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1nccc2occc21)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575065982 951593322 /nfs/dbraw/zinc/59/33/22/951593322.db2.gz CWLJPPQCHOHRNT-JTQLQIEISA-N 0 1 383.437 1.978 20 0 GDADMN C[C@@H](CNC(=O)c1nccc2occc21)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575065982 951593328 /nfs/dbraw/zinc/59/33/28/951593328.db2.gz CWLJPPQCHOHRNT-JTQLQIEISA-N 0 1 383.437 1.978 20 0 GDADMN C[C@@H](CNC(=O)c1ncoc1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575067355 951609555 /nfs/dbraw/zinc/60/95/55/951609555.db2.gz RMQIAXUWEFUDSQ-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNC(=O)c1ncc(F)cc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575068244 951631488 /nfs/dbraw/zinc/63/14/88/951631488.db2.gz YPCCFQYDHRQLMG-SECBINFHSA-N 0 1 391.357 1.587 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1=O ZINC001595074792 951638290 /nfs/dbraw/zinc/63/82/90/951638290.db2.gz WPOKEAATCXRQMW-ZWKOTPCHSA-N 0 1 387.480 1.275 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1=O ZINC001595074792 951638297 /nfs/dbraw/zinc/63/82/97/951638297.db2.gz WPOKEAATCXRQMW-ZWKOTPCHSA-N 0 1 387.480 1.275 20 0 GDADMN C[C@H](CNC(=O)c1sccc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575070586 951651690 /nfs/dbraw/zinc/65/16/90/951651690.db2.gz RXEXCIOPRHFNBD-QMMMGPOBSA-N 0 1 378.849 1.272 20 0 GDADMN O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001595091287 951777477 /nfs/dbraw/zinc/77/74/77/951777477.db2.gz OZWZOINBMKNBQZ-IRXDYDNUSA-N 0 1 388.468 1.026 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575098422 951824423 /nfs/dbraw/zinc/82/44/23/951824423.db2.gz CPKLEWGXVFPDSN-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575098422 951824426 /nfs/dbraw/zinc/82/44/26/951824426.db2.gz CPKLEWGXVFPDSN-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575101395 951858479 /nfs/dbraw/zinc/85/84/79/951858479.db2.gz CZPNLATYPWUUGG-OXHZDVMGSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575101395 951858486 /nfs/dbraw/zinc/85/84/86/951858486.db2.gz CZPNLATYPWUUGG-OXHZDVMGSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc(Cl)no1 ZINC001575103436 951875233 /nfs/dbraw/zinc/87/52/33/951875233.db2.gz UHVQQDMQHYLVLU-MRVPVSSYSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc(Cl)no1 ZINC001575103436 951875238 /nfs/dbraw/zinc/87/52/38/951875238.db2.gz UHVQQDMQHYLVLU-MRVPVSSYSA-N 0 1 381.849 1.820 20 0 GDADMN CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC001602888196 971784259 /nfs/dbraw/zinc/78/42/59/971784259.db2.gz FBXRVRUARMCLMS-UHFFFAOYSA-N 0 1 383.489 1.643 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575137459 952139420 /nfs/dbraw/zinc/13/94/20/952139420.db2.gz ZMTPNPLAPCIVGU-QFYYESIMSA-N 0 1 392.414 1.211 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575143607 952154715 /nfs/dbraw/zinc/15/47/15/952154715.db2.gz BLZWJYPKSNLHQC-GOSISDBHSA-N 0 1 383.481 1.685 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575144821 952171876 /nfs/dbraw/zinc/17/18/76/952171876.db2.gz MKQMOXAIABDEQB-JTQLQIEISA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575144869 952173292 /nfs/dbraw/zinc/17/32/92/952173292.db2.gz YRFKZJDGONIUPF-VIFPVBQESA-N 0 1 392.876 1.295 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575145256 952181546 /nfs/dbraw/zinc/18/15/46/952181546.db2.gz UKVWEEWOMKHIHU-PSVSLLHZSA-N 0 1 377.399 1.282 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1scnc1C1CC1 ZINC001575145609 952186909 /nfs/dbraw/zinc/18/69/09/952186909.db2.gz BBCCTEMSJKGKQW-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575147450 952199715 /nfs/dbraw/zinc/19/97/15/952199715.db2.gz UDCDKCWNTFGRGV-FPMFFAJLSA-N 0 1 383.481 1.808 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001575148155 952202211 /nfs/dbraw/zinc/20/22/11/952202211.db2.gz YEMDPXAGNHAWQI-NSHDSACASA-N 0 1 377.412 1.133 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575148245 952203249 /nfs/dbraw/zinc/20/32/49/952203249.db2.gz ZBJWRBNAWOPONL-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)Cc1ccn[nH]1 ZINC001575164026 952285197 /nfs/dbraw/zinc/28/51/97/952285197.db2.gz ASIYIXHISXUBQW-VIFPVBQESA-N 0 1 375.824 1.140 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575166410 952325640 /nfs/dbraw/zinc/32/56/40/952325640.db2.gz VWJITDLXDCYPAA-SSDOTTSWSA-N 0 1 381.853 1.201 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575196187 952474129 /nfs/dbraw/zinc/47/41/29/952474129.db2.gz FGKJCLHWFHLERS-GFCCVEGCSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1cscn1 ZINC001571117094 952479268 /nfs/dbraw/zinc/47/92/68/952479268.db2.gz GUYRLDKCAMPQFI-UWVGGRQHSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1cscn1 ZINC001571117094 952479274 /nfs/dbraw/zinc/47/92/74/952479274.db2.gz GUYRLDKCAMPQFI-UWVGGRQHSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1cscn1 ZINC001571117096 952479678 /nfs/dbraw/zinc/47/96/78/952479678.db2.gz GUYRLDKCAMPQFI-VHSXEESVSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1cscn1 ZINC001571117096 952479681 /nfs/dbraw/zinc/47/96/81/952479681.db2.gz GUYRLDKCAMPQFI-VHSXEESVSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575197657 952486256 /nfs/dbraw/zinc/48/62/56/952486256.db2.gz YNBMFTHZBGNHAW-AWEZNQCLSA-N 0 1 380.452 1.887 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575201042 952500446 /nfs/dbraw/zinc/50/04/46/952500446.db2.gz MZTRZUCJPSDXJD-NWDGAFQWSA-N 0 1 384.419 1.303 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121965 952523583 /nfs/dbraw/zinc/52/35/83/952523583.db2.gz GLVADZYPMRSNOV-STQMWFEESA-N 0 1 376.486 1.435 20 0 GDADMN Cc1cc(N2CCC(NC(=O)C3CC(F)(F)C3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124238 952536449 /nfs/dbraw/zinc/53/64/49/952536449.db2.gz CEPOAECCYVMWJA-UHFFFAOYSA-N 0 1 377.399 1.700 20 0 GDADMN CCN(C(=O)[C@H]1CCC1(F)F)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571130459 952579975 /nfs/dbraw/zinc/57/99/75/952579975.db2.gz RCIYAVAYVRCIST-WDEREUQCSA-N 0 1 378.387 1.129 20 0 GDADMN Cc1ccnc(C(=O)NC[C@@H]2CCCN2Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571134268 952588339 /nfs/dbraw/zinc/58/83/39/952588339.db2.gz GUOBSESWKOMUGG-INIZCTEOSA-N 0 1 378.440 1.360 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)c1 ZINC001571134808 952595350 /nfs/dbraw/zinc/59/53/50/952595350.db2.gz NDJKRCJKEXOSAI-HIFRSBDPSA-N 0 1 378.440 1.350 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134823 952596475 /nfs/dbraw/zinc/59/64/75/952596475.db2.gz NPVKMKAUJUUEPU-MLGOLLRUSA-N 0 1 378.440 1.268 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)Cc3cccnc3)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134980 952598823 /nfs/dbraw/zinc/59/88/23/952598823.db2.gz PMCSCOZSRJEHFX-CJNGLKHVSA-N 0 1 378.440 1.031 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571135341 952602759 /nfs/dbraw/zinc/60/27/59/952602759.db2.gz UKZXZKCZBSLDOF-HIFRSBDPSA-N 0 1 378.440 1.285 20 0 GDADMN COc1ccc(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)cc1 ZINC001571136373 952614408 /nfs/dbraw/zinc/61/44/08/952614408.db2.gz OVRJIWYPLZWRHU-UHFFFAOYSA-N 0 1 378.436 1.737 20 0 GDADMN Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571142307 952640228 /nfs/dbraw/zinc/64/02/28/952640228.db2.gz OSPJOHMAWUEJMV-VYDXJSESSA-N 0 1 378.440 1.136 20 0 GDADMN COc1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1C ZINC001571142412 952641866 /nfs/dbraw/zinc/64/18/66/952641866.db2.gz USFCZFMTSFTASW-CQSZACIVSA-N 0 1 379.424 1.327 20 0 GDADMN CC(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571148457 952667217 /nfs/dbraw/zinc/66/72/17/952667217.db2.gz ZYIJKIMJVPSHGL-CYBMUJFWSA-N 0 1 379.428 1.184 20 0 GDADMN O=C([C@@H]1CCC[C@H]2C[C@H]21)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571151782 952678835 /nfs/dbraw/zinc/67/88/35/952678835.db2.gz XILOAJYLXROWJL-AALSBFMBSA-N 0 1 379.468 1.593 20 0 GDADMN Cc1ccc([C@@H](CC(F)(F)F)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001571152907 952683926 /nfs/dbraw/zinc/68/39/26/952683926.db2.gz KTUUANZSIPIBSC-LLVKDONJSA-N 0 1 380.334 1.577 20 0 GDADMN Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571153307 952685236 /nfs/dbraw/zinc/68/52/36/952685236.db2.gz NUTCDDZYANQAEH-LJGSYFOKSA-N 0 1 379.837 1.381 20 0 GDADMN CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571155314 952695927 /nfs/dbraw/zinc/69/59/27/952695927.db2.gz NPTHCNGAVRWLBB-RYUDHWBXSA-N 0 1 380.412 1.476 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1 ZINC001571155337 952695995 /nfs/dbraw/zinc/69/59/95/952695995.db2.gz OIYZZXKGIHBDEX-QLPKVWCKSA-N 0 1 380.408 1.329 20 0 GDADMN CCc1cc(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)no1 ZINC001571155686 952698889 /nfs/dbraw/zinc/69/88/89/952698889.db2.gz XPTNBQGSJDTKFG-TXEJJXNPSA-N 0 1 380.412 1.021 20 0 GDADMN Cc1noc(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571159491 952720082 /nfs/dbraw/zinc/72/00/82/952720082.db2.gz WGYAGSHBIPQRCL-STQMWFEESA-N 0 1 380.412 1.278 20 0 GDADMN Cc1occc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571160012 952723236 /nfs/dbraw/zinc/72/32/36/952723236.db2.gz AOTSILBPJUKPIZ-OLZOCXBDSA-N 0 1 380.412 1.442 20 0 GDADMN O=C(Cc1ccoc1)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571160241 952723953 /nfs/dbraw/zinc/72/39/53/952723953.db2.gz FPUYOTMYELYCIK-ZIAGYGMSSA-N 0 1 380.412 1.062 20 0 GDADMN CCn1cccc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001571169927 952780720 /nfs/dbraw/zinc/78/07/20/952780720.db2.gz QXHRVVABOACJTK-HIFRSBDPSA-N 0 1 380.456 1.529 20 0 GDADMN C[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1ccon1 ZINC001571172012 952800492 /nfs/dbraw/zinc/80/04/92/952800492.db2.gz KMCRTUPLTGFVFX-BQBZGAKWSA-N 0 1 380.821 1.680 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172554 952808996 /nfs/dbraw/zinc/80/89/96/952808996.db2.gz XBLINWRFQBXCTR-VXGBXAGGSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172554 952809002 /nfs/dbraw/zinc/80/90/02/952809002.db2.gz XBLINWRFQBXCTR-VXGBXAGGSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172554 952809008 /nfs/dbraw/zinc/80/90/08/952809008.db2.gz XBLINWRFQBXCTR-VXGBXAGGSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172554 952809014 /nfs/dbraw/zinc/80/90/14/952809014.db2.gz XBLINWRFQBXCTR-VXGBXAGGSA-N 0 1 380.543 1.960 20 0 GDADMN Cc1nocc1C(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180619 952861758 /nfs/dbraw/zinc/86/17/58/952861758.db2.gz RAJYGBODNNAKMT-IUODEOHRSA-N 0 1 381.440 1.946 20 0 GDADMN CCc1ocnc1C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182796 952868289 /nfs/dbraw/zinc/86/82/89/952868289.db2.gz GBGONRLWPCOGAF-OAHLLOKOSA-N 0 1 381.440 1.812 20 0 GDADMN O=C(NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001571183385 952877847 /nfs/dbraw/zinc/87/78/47/952877847.db2.gz ZAYSCQPLGKGDBI-UHFFFAOYSA-N 0 1 381.415 1.795 20 0 GDADMN CCn1ccc(C(=O)NC2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001571184830 952896847 /nfs/dbraw/zinc/89/68/47/952896847.db2.gz DYIOMFFGQLWGML-UHFFFAOYSA-N 0 1 381.444 1.053 20 0 GDADMN Cc1nn[nH]c1C(=O)NC[C@@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571189311 952927780 /nfs/dbraw/zinc/92/77/80/952927780.db2.gz USMNLTOYIOGYIC-HNNXBMFYSA-N 0 1 381.444 1.078 20 0 GDADMN Cc1ncc(C(=O)N[C@@H](C)[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189877 952935961 /nfs/dbraw/zinc/93/59/61/952935961.db2.gz YGSGHQWXXDHZFC-AAEUAGOBSA-N 0 1 381.444 1.328 20 0 GDADMN CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001571193915 952954638 /nfs/dbraw/zinc/95/46/38/952954638.db2.gz AYMCWSPWKNTBGM-HNNXBMFYSA-N 0 1 382.380 1.344 20 0 GDADMN O=C([C@@H](F)c1ccccc1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571197167 952987032 /nfs/dbraw/zinc/98/70/32/952987032.db2.gz TUVUDWSKXJHPHZ-HIFRSBDPSA-N 0 1 382.403 1.192 20 0 GDADMN O=C(N[C@@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccc(F)cn1 ZINC001571200323 953008939 /nfs/dbraw/zinc/00/89/39/953008939.db2.gz HTKXXNWFQPIWPQ-DGCLKSJQSA-N 0 1 382.403 1.228 20 0 GDADMN CCCc1cc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)no1 ZINC001571200826 953013176 /nfs/dbraw/zinc/01/31/76/953013176.db2.gz MGHCYTFTHWJVGC-NEPJUHHUSA-N 0 1 382.428 1.339 20 0 GDADMN Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)o1 ZINC001571201024 953014197 /nfs/dbraw/zinc/01/41/97/953014197.db2.gz IENMAXQLKQXWPS-QWHCGFSZSA-N 0 1 382.428 1.187 20 0 GDADMN O=C(c1ccc(CF)cc1)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571201116 953014629 /nfs/dbraw/zinc/01/46/29/953014629.db2.gz MVTCSJWJPDLFCF-UHFFFAOYSA-N 0 1 382.403 1.479 20 0 GDADMN CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571201120 953015192 /nfs/dbraw/zinc/01/51/92/953015192.db2.gz MZFIKHPRRFDHJY-LBPRGKRZSA-N 0 1 382.428 1.512 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccc(F)c1 ZINC001571201166 953016424 /nfs/dbraw/zinc/01/64/24/953016424.db2.gz ORIYFMADEZPRAW-AWEZNQCLSA-N 0 1 382.403 1.585 20 0 GDADMN Cc1nc(C(C)C)oc1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571202288 953024492 /nfs/dbraw/zinc/02/44/92/953024492.db2.gz SKZMKKRAQQIILS-GFCCVEGCSA-N 0 1 382.428 1.430 20 0 GDADMN Cc1nc(C(=O)N[C@H](C)[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)co1 ZINC001571202734 953028151 /nfs/dbraw/zinc/02/81/51/953028151.db2.gz XNNISHVCTPONGJ-YPMHNXCESA-N 0 1 382.428 1.593 20 0 GDADMN Cc1ocnc1C(=O)N1CCC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571204951 953035049 /nfs/dbraw/zinc/03/50/49/953035049.db2.gz DUJYNKSLSMOODO-CYBMUJFWSA-N 0 1 382.428 1.547 20 0 GDADMN Cc1oc(C)c(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571206934 953057646 /nfs/dbraw/zinc/05/76/46/953057646.db2.gz UJOAIKDQISTPQY-CYBMUJFWSA-N 0 1 382.428 1.526 20 0 GDADMN Cc1ncsc1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571210798 953073615 /nfs/dbraw/zinc/07/36/15/953073615.db2.gz XIPFLXDJVAZYBV-IMRBUKKESA-N 0 1 382.453 1.200 20 0 GDADMN C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001571210898 953075061 /nfs/dbraw/zinc/07/50/61/953075061.db2.gz ZRAIPTSPUKAHFR-YLAKUSLOSA-N 0 1 382.468 1.515 20 0 GDADMN C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212091 953083480 /nfs/dbraw/zinc/08/34/80/953083480.db2.gz IPSOWEQBIXPXNB-NIFZNCRKSA-N 0 1 382.472 1.164 20 0 GDADMN CC1(C)CC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571213266 953094231 /nfs/dbraw/zinc/09/42/31/953094231.db2.gz QOUAZZMOSZXTEE-QHRIQVFBSA-N 0 1 382.472 1.711 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCCC[C@H]2NC(=O)c2cnn[nH]2)n1 ZINC001571213760 953097691 /nfs/dbraw/zinc/09/76/91/953097691.db2.gz VLFHRMODWPUIRJ-DGCLKSJQSA-N 0 1 382.432 1.089 20 0 GDADMN O=C(NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC2(CCC2)C1 ZINC001571216911 953104667 /nfs/dbraw/zinc/10/46/67/953104667.db2.gz CBLKQSTZLQOOCT-AWEZNQCLSA-N 0 1 382.472 1.712 20 0 GDADMN Cc1ocnc1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001571217368 953108397 /nfs/dbraw/zinc/10/83/97/953108397.db2.gz JFBLEJOESISWGQ-VIKVFOODSA-N 0 1 383.387 1.162 20 0 GDADMN O=C(NC1(C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1)C1CCCC1 ZINC001571218482 953116140 /nfs/dbraw/zinc/11/61/40/953116140.db2.gz PBKTVADMZLXYHG-UHFFFAOYSA-N 0 1 382.472 1.712 20 0 GDADMN O=C(C(C1CC1)C1CC1)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571219065 953122704 /nfs/dbraw/zinc/12/27/04/953122704.db2.gz UHUBPLWBRYNWBU-GFCCVEGCSA-N 0 1 382.472 1.165 20 0 GDADMN COCc1ccc(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571219320 953125184 /nfs/dbraw/zinc/12/51/84/953125184.db2.gz NUBQKPDTKFVJRF-LBPRGKRZSA-N 0 1 383.412 1.140 20 0 GDADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)Nc3nccn3C3CC3)CC2)o1 ZINC001571225607 953153580 /nfs/dbraw/zinc/15/35/80/953153580.db2.gz LFYAPKHOLGZVMI-UHFFFAOYSA-N 0 1 383.416 1.550 20 0 GDADMN Cc1c(C(=O)N2CC[C@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)ccn1C ZINC001571229242 953168477 /nfs/dbraw/zinc/16/84/77/953168477.db2.gz BFQAJTSUXVGWIT-HNNXBMFYSA-N 0 1 383.431 1.657 20 0 GDADMN Cn1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001571229414 953169277 /nfs/dbraw/zinc/16/92/77/953169277.db2.gz DPOXKXBXCZDSAP-HNNXBMFYSA-N 0 1 383.431 1.739 20 0 GDADMN CC1(C)CN(C(=O)c2ccc[nH]2)C[C@@H]1NCc1ccc(-c2nn[nH]n2)cc1F ZINC001571230514 953177506 /nfs/dbraw/zinc/17/75/06/953177506.db2.gz XGKQODRGAOAZHD-INIZCTEOSA-N 0 1 383.431 1.974 20 0 GDADMN CC[C@H]1CN(C(=O)CC(F)(F)F)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571235003 953207961 /nfs/dbraw/zinc/20/79/61/953207961.db2.gz PKLJSWDCYPEFOZ-UWVGGRQHSA-N 0 1 384.366 1.070 20 0 GDADMN O=S(=O)(N[C@H]1COc2c1cccc2Cl)c1ccsc1-c1nn[nH]n1 ZINC001571235061 953208288 /nfs/dbraw/zinc/20/82/88/953208288.db2.gz RHMFZETWZXPHNT-VIFPVBQESA-N 0 1 383.842 1.994 20 0 GDADMN O=C(C[C@@H]1CCCO1)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571235164 953209305 /nfs/dbraw/zinc/20/93/05/953209305.db2.gz VTLWSYDYROQVGG-BDAKNGLRSA-N 0 1 383.865 1.241 20 0 GDADMN O=C(Nc1c[nH]nc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001571235384 953212236 /nfs/dbraw/zinc/21/22/36/953212236.db2.gz CAMRVCOYHZSACX-LLVKDONJSA-N 0 1 384.375 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GDADMN C[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[N@H+]1Cc1ccccc1 ZINC001589293877 953625767 /nfs/dbraw/zinc/62/57/67/953625767.db2.gz SLFDKAVPSNCADE-GDBMZVCRSA-N 0 1 394.493 1.045 20 0 GDADMN C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)[O-])C[N@H+]2C1 ZINC001589298490 953668113 /nfs/dbraw/zinc/66/81/13/953668113.db2.gz ACHZRPONFNYSII-BGTYHANMSA-N 0 1 388.464 1.810 20 0 GDADMN COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000635507699 953882482 /nfs/dbraw/zinc/88/24/82/953882482.db2.gz NJGKDGUTMNOIPD-KNBMTAEXSA-N 0 1 375.469 1.955 20 0 GDADMN CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001602970664 971978103 /nfs/dbraw/zinc/97/81/03/971978103.db2.gz REBFOGBMMGMQST-SFHVURJKSA-N 0 1 377.485 1.998 20 0 GDADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000650502166 954017492 /nfs/dbraw/zinc/01/74/92/954017492.db2.gz MRTXMQIPMRSFGT-BFYDXBDKSA-N 0 1 379.501 1.421 20 0 GDADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000650502166 954017500 /nfs/dbraw/zinc/01/75/00/954017500.db2.gz MRTXMQIPMRSFGT-BFYDXBDKSA-N 0 1 379.501 1.421 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001589372782 954219592 /nfs/dbraw/zinc/21/95/92/954219592.db2.gz QTUJYLPSADMVRZ-SOLBZPMBSA-N 0 1 387.480 1.431 20 0 GDADMN CN1CC[NH+](Cc2ccc(CNC(=O)c3cccc(OCC(=O)[O-])c3)cc2)CC1 ZINC000659752805 954353808 /nfs/dbraw/zinc/35/38/08/954353808.db2.gz DWKHXQVKBRWADG-UHFFFAOYSA-N 0 1 397.475 1.827 20 0 GDADMN CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C(=O)[O-])CC3(C)C)CC2)CC1 ZINC000663110025 954500298 /nfs/dbraw/zinc/50/02/98/954500298.db2.gz INIMKXGYCUIYFK-HXUWFJFHSA-N 0 1 379.501 1.280 20 0 GDADMN O=C([O-])C1=NO[C@H](C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001594889788 954508250 /nfs/dbraw/zinc/50/82/50/954508250.db2.gz MYZLXSMXVFZKBV-ZBFHGGJFSA-N 0 1 383.408 1.498 20 0 GDADMN 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O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000834029519 605521290 /nfs/dbraw/zinc/52/12/90/605521290.db2.gz UIYJFDXWCVLCDB-ZBFHGGJFSA-N 0 1 386.456 1.200 20 0 GDADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000834029519 605521295 /nfs/dbraw/zinc/52/12/95/605521295.db2.gz UIYJFDXWCVLCDB-ZBFHGGJFSA-N 0 1 386.456 1.200 20 0 GDADMN CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833796990 605557428 /nfs/dbraw/zinc/55/74/28/605557428.db2.gz QIXYYJQYNRSPAP-LSDHHAIUSA-N 0 1 390.484 1.989 20 0 GDADMN CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833796990 605557432 /nfs/dbraw/zinc/55/74/32/605557432.db2.gz QIXYYJQYNRSPAP-LSDHHAIUSA-N 0 1 390.484 1.989 20 0 GDADMN Cn1cc(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c(-c2cccnc2)n1 ZINC000833948996 605564024 /nfs/dbraw/zinc/56/40/24/605564024.db2.gz KZLVYNFCXPDLBG-HNNXBMFYSA-N 0 1 386.456 1.078 20 0 GDADMN 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C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000826019582 605713223 /nfs/dbraw/zinc/71/32/23/605713223.db2.gz FQDQVLQBWOHMMD-CYBMUJFWSA-N 0 1 384.477 1.186 20 0 GDADMN C[C@H]1CCN(C(=O)CN2CCC(NC(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000825937573 605755978 /nfs/dbraw/zinc/75/59/78/605755978.db2.gz JVSBNZZRHLSEDC-KRWDZBQOSA-N 0 1 388.512 1.841 20 0 GDADMN NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NC[C@H](NC(=O)[O-])C2CC2)c1 ZINC000833979934 605815130 /nfs/dbraw/zinc/81/51/30/605815130.db2.gz FVXFFPJHMOWODW-JKSUJKDBSA-N 0 1 389.456 1.304 20 0 GDADMN NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NC[C@H](NC(=O)[O-])C2CC2)c1 ZINC000833979934 605815135 /nfs/dbraw/zinc/81/51/35/605815135.db2.gz FVXFFPJHMOWODW-JKSUJKDBSA-N 0 1 389.456 1.304 20 0 GDADMN CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)[O-])N1CCN(C)CC1 ZINC000833792416 605824307 /nfs/dbraw/zinc/82/43/07/605824307.db2.gz HBSAAIJMBKBESS-AKHDSKFASA-N 0 1 382.549 1.396 20 0 GDADMN 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1.529 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000823136329 607213723 /nfs/dbraw/zinc/21/37/23/607213723.db2.gz VYJDWHVSGJEKNZ-UHFFFAOYSA-N 0 1 388.804 1.269 20 0 GDADMN COc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000821882782 607215394 /nfs/dbraw/zinc/21/53/94/607215394.db2.gz KOKJUAISPAGODD-QGZVFWFLSA-N 0 1 390.407 1.373 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000823126999 607217931 /nfs/dbraw/zinc/21/79/31/607217931.db2.gz QIAXNQSYALRHJE-CYBMUJFWSA-N 0 1 380.437 1.620 20 0 GDADMN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820819330 607223587 /nfs/dbraw/zinc/22/35/87/607223587.db2.gz HOEQGJAHLURIEM-QMMMGPOBSA-N 0 1 393.238 1.911 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000823126924 607224145 /nfs/dbraw/zinc/22/41/45/607224145.db2.gz NXFLOMCSAHHVEL-HNNXBMFYSA-N 0 1 395.814 1.412 20 0 GDADMN CN1CCC[C@@H]1[C@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826034165 607815279 /nfs/dbraw/zinc/81/52/79/607815279.db2.gz OHDJIOKJHFVIGT-IAGOWNOFSA-N 0 1 390.513 1.199 20 0 GDADMN O=S(=O)(CCSc1nc(C2CC2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485325 607817073 /nfs/dbraw/zinc/81/70/73/607817073.db2.gz LVHASPOGJMPOEV-UHFFFAOYSA-N 0 1 377.455 1.428 20 0 GDADMN O=S(=O)(CCSc1n[nH]c(C2CC2)n1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485325 607817074 /nfs/dbraw/zinc/81/70/74/607817074.db2.gz LVHASPOGJMPOEV-UHFFFAOYSA-N 0 1 377.455 1.428 20 0 GDADMN O[C@@H](CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826506321 607992627 /nfs/dbraw/zinc/99/26/27/607992627.db2.gz RPNPRLHTTYOQJE-JLSDUUJJSA-N 0 1 387.390 1.986 20 0 GDADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000826450916 607997593 /nfs/dbraw/zinc/99/75/93/607997593.db2.gz ITCMTLSZGYFUGH-IBGZPJMESA-N 0 1 380.408 1.148 20 0 GDADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000826450916 607997594 /nfs/dbraw/zinc/99/75/94/607997594.db2.gz ITCMTLSZGYFUGH-IBGZPJMESA-N 0 1 380.408 1.148 20 0 GDADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000826450917 607997639 /nfs/dbraw/zinc/99/76/39/607997639.db2.gz ITCMTLSZGYFUGH-LJQANCHMSA-N 0 1 380.408 1.148 20 0 GDADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000826450917 607997640 /nfs/dbraw/zinc/99/76/40/607997640.db2.gz ITCMTLSZGYFUGH-LJQANCHMSA-N 0 1 380.408 1.148 20 0 GDADMN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825159522 608019335 /nfs/dbraw/zinc/01/93/35/608019335.db2.gz PGSORMAKOJLLRG-HNNXBMFYSA-N 0 1 398.471 1.846 20 0 GDADMN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825159522 608019336 /nfs/dbraw/zinc/01/93/36/608019336.db2.gz PGSORMAKOJLLRG-HNNXBMFYSA-N 0 1 398.471 1.846 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2ccn3C)c1-c1nnn[n-]1 ZINC000826083420 608020088 /nfs/dbraw/zinc/02/00/88/608020088.db2.gz LHPSBOXGQHAHHG-UHFFFAOYSA-N 0 1 379.428 1.486 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2ccn3C)c1-c1nn[n-]n1 ZINC000826083420 608020089 /nfs/dbraw/zinc/02/00/89/608020089.db2.gz LHPSBOXGQHAHHG-UHFFFAOYSA-N 0 1 379.428 1.486 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(C)CCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826073295 608020177 /nfs/dbraw/zinc/02/01/77/608020177.db2.gz NDRHYGPXDWHTGA-FQEVSTJZSA-N 0 1 394.483 1.975 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(C)CCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826073295 608020178 /nfs/dbraw/zinc/02/01/78/608020178.db2.gz NDRHYGPXDWHTGA-FQEVSTJZSA-N 0 1 394.483 1.975 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCC[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826077409 608021392 /nfs/dbraw/zinc/02/13/92/608021392.db2.gz HGNVNIBOENUZBU-RYUDHWBXSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826077409 608021393 /nfs/dbraw/zinc/02/13/93/608021393.db2.gz HGNVNIBOENUZBU-RYUDHWBXSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)CCOc2ccccc2)c1-c1nnn[n-]1 ZINC000826073110 608021723 /nfs/dbraw/zinc/02/17/23/608021723.db2.gz FHLBTFIBSZOJEP-ZDUSSCGKSA-N 0 1 398.471 1.786 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)CCOc2ccccc2)c1-c1nn[n-]n1 ZINC000826073110 608021724 /nfs/dbraw/zinc/02/17/24/608021724.db2.gz FHLBTFIBSZOJEP-ZDUSSCGKSA-N 0 1 398.471 1.786 20 0 GDADMN CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825506782 608026482 /nfs/dbraw/zinc/02/64/82/608026482.db2.gz MHLDGGXFVXPZGD-MRVPVSSYSA-N 0 1 389.384 1.155 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](c2cccnc2)C2CC2)cc1-c1nn[nH]n1 ZINC000826229845 608033058 /nfs/dbraw/zinc/03/30/58/608033058.db2.gz UAEYMYUVAOSPEH-ZDUSSCGKSA-N 0 1 383.437 1.965 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc(F)cc1F ZINC000825935155 608037123 /nfs/dbraw/zinc/03/71/23/608037123.db2.gz VVBBKEHUWFLWFU-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc(F)cc1F ZINC000825935155 608037124 /nfs/dbraw/zinc/03/71/24/608037124.db2.gz VVBBKEHUWFLWFU-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc(F)cc1F ZINC000825935155 608037125 /nfs/dbraw/zinc/03/71/25/608037125.db2.gz VVBBKEHUWFLWFU-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc(F)cc1F ZINC000825935155 608037126 /nfs/dbraw/zinc/03/71/26/608037126.db2.gz VVBBKEHUWFLWFU-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[C@H]1C[C@@H](CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO1 ZINC000824883731 608125041 /nfs/dbraw/zinc/12/50/41/608125041.db2.gz IWNSMTYKFIFNBX-UWVGGRQHSA-N 0 1 387.412 1.628 20 0 GDADMN CC(=O)NC1CCC(N(C)CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000823988281 608130708 /nfs/dbraw/zinc/13/07/08/608130708.db2.gz GCKAOZXFGKOEQO-UHFFFAOYSA-N 0 1 377.474 1.246 20 0 GDADMN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000824207106 608194665 /nfs/dbraw/zinc/19/46/65/608194665.db2.gz PVOFPBHSXAINDD-PXAZEXFGSA-N 0 1 381.440 1.667 20 0 GDADMN CCN1CCN(c2ccc(CNc3nc(C)ccc3-c3nn[nH]n3)cn2)CC1 ZINC000825465902 608275473 /nfs/dbraw/zinc/27/54/73/608275473.db2.gz SAPJWKUWSZCWMM-UHFFFAOYSA-N 0 1 379.472 1.719 20 0 GDADMN CCC[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CCN1CCOC ZINC000825252806 608283122 /nfs/dbraw/zinc/28/31/22/608283122.db2.gz KFISWWMEBKWZQX-AWEZNQCLSA-N 0 1 391.451 1.970 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826331978 608312852 /nfs/dbraw/zinc/31/28/52/608312852.db2.gz FYTVNMSNSLJZPK-OAHLLOKOSA-N 0 1 394.483 1.838 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826331978 608312855 /nfs/dbraw/zinc/31/28/55/608312855.db2.gz FYTVNMSNSLJZPK-OAHLLOKOSA-N 0 1 394.483 1.838 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826331978 608312856 /nfs/dbraw/zinc/31/28/56/608312856.db2.gz FYTVNMSNSLJZPK-OAHLLOKOSA-N 0 1 394.483 1.838 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826331978 608312858 /nfs/dbraw/zinc/31/28/58/608312858.db2.gz FYTVNMSNSLJZPK-OAHLLOKOSA-N 0 1 394.483 1.838 20 0 GDADMN CCC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CCN1CCOC ZINC000825255576 608314040 /nfs/dbraw/zinc/31/40/40/608314040.db2.gz XOQHZCSOHFLLNZ-OAGJVSPASA-N 0 1 384.484 1.839 20 0 GDADMN C[C@@H]1C[C@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CN1C1CC1 ZINC000824892874 608337708 /nfs/dbraw/zinc/33/77/08/608337708.db2.gz NODUTZGUUCLHMB-MFKMUULPSA-N 0 1 380.449 1.050 20 0 GDADMN CCC[C@@H]1CN(CC(=O)Nc2sccc2-c2nn[nH]n2)CCN1CCOC ZINC000825255208 608377986 /nfs/dbraw/zinc/37/79/86/608377986.db2.gz WKDHGAQHCKHWJK-CYBMUJFWSA-N 0 1 393.517 1.299 20 0 GDADMN COCCN(CCNCc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000826158579 608450940 /nfs/dbraw/zinc/45/09/40/608450940.db2.gz UWSDZLOOHFVUNE-UHFFFAOYSA-N 0 1 394.451 1.979 20 0 GDADMN C[C@H](NCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553739 608463636 /nfs/dbraw/zinc/46/36/36/608463636.db2.gz GNTDLFRIZVPUEH-WWGRRREGSA-N 0 1 385.472 1.922 20 0 GDADMN C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824618547 608465202 /nfs/dbraw/zinc/46/52/02/608465202.db2.gz OZRDGVSRHXBALK-CYBMUJFWSA-N 0 1 386.481 1.968 20 0 GDADMN COc1ccc([C@@H](C)NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826187952 608472102 /nfs/dbraw/zinc/47/21/02/608472102.db2.gz JJKNNZHEEZSULL-CYBMUJFWSA-N 0 1 396.451 1.851 20 0 GDADMN C[C@@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824563685 608493477 /nfs/dbraw/zinc/49/34/77/608493477.db2.gz PIFBBODSYWUTGI-GFCCVEGCSA-N 0 1 391.435 1.675 20 0 GDADMN COc1ccc(C2(NCC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826190125 608521286 /nfs/dbraw/zinc/52/12/86/608521286.db2.gz QCQQEPXEUQWFAF-UHFFFAOYSA-N 0 1 378.436 1.770 20 0 GDADMN CCOCCCNC(=O)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000825594620 608529689 /nfs/dbraw/zinc/52/96/89/608529689.db2.gz NGKWBTXZWPTDNQ-UHFFFAOYSA-N 0 1 378.502 1.683 20 0 GDADMN CCOCCCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825594620 608529691 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/nfs/dbraw/zinc/42/31/42/945423142.db2.gz IYPNOESQOVGBEO-AWEZNQCLSA-N 0 1 385.472 1.434 20 0 GDADMN O=C(c1ccc(Cl)[nH]1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571264936 945494390 /nfs/dbraw/zinc/49/43/90/945494390.db2.gz BBXJVEMKIUPARK-AOOOYVTPSA-N 0 1 385.819 1.132 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)CC3(O)CCC3)[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266528 945545606 /nfs/dbraw/zinc/54/56/06/945545606.db2.gz SYEPKNITFRPSMS-KBPBESRZSA-N 0 1 385.472 1.089 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001571267047 945561308 /nfs/dbraw/zinc/56/13/08/945561308.db2.gz HSTJXUKAOFQSLP-RNCFNFMXSA-N 0 1 386.366 1.072 20 0 GDADMN O=C(c1ccn[nH]1)N1CCCO[C@H](CNc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571267910 945582147 /nfs/dbraw/zinc/58/21/47/945582147.db2.gz ITXMZCFANTXBLR-LLVKDONJSA-N 0 1 386.391 1.072 20 0 GDADMN O=C(NC1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1)C1=COCCC1 ZINC001571268964 945610109 /nfs/dbraw/zinc/61/01/09/945610109.db2.gz LQOKOIRSUDYYLU-UHFFFAOYSA-N 0 1 386.431 1.781 20 0 GDADMN O=C([C@H]1CCOC1)N1CC[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571269464 945620882 /nfs/dbraw/zinc/62/08/82/945620882.db2.gz YXTYEAABHAXGLZ-GDZNZVCISA-N 0 1 386.431 1.075 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2cc(N(C)C)cc[nH+]2)cc1-c1nn[n-]n1 ZINC001571269906 945627864 /nfs/dbraw/zinc/62/78/64/945627864.db2.gz HQAPJXQCVMNPHQ-UHFFFAOYSA-N 0 1 386.441 1.080 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3cc(Cl)cn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571274305 945695289 /nfs/dbraw/zinc/69/52/89/945695289.db2.gz FNDRAVNYULDAJD-HAQNSBGRSA-N 0 1 386.847 1.357 20 0 GDADMN Cc1cc(N[C@@H]2CCCN(C(=O)c3ccc(Cl)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571275127 945702532 /nfs/dbraw/zinc/70/25/32/945702532.db2.gz PVZLGQNIPRZCLP-LLVKDONJSA-N 0 1 386.847 1.690 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cc(F)c[nH]2)CCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571277043 945738714 /nfs/dbraw/zinc/73/87/14/945738714.db2.gz NPEYWBPXNMHVGT-BMIGLBTASA-N 0 1 387.394 1.866 20 0 GDADMN Cc1noc(C)c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281149 945798963 /nfs/dbraw/zinc/79/89/63/945798963.db2.gz DDEKBRXYDWLTML-LBPRGKRZSA-N 0 1 387.469 1.785 20 0 GDADMN Cc1noc(C)c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281149 945798968 /nfs/dbraw/zinc/79/89/68/945798968.db2.gz DDEKBRXYDWLTML-LBPRGKRZSA-N 0 1 387.469 1.785 20 0 GDADMN Cc1noc(C)c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281149 945798974 /nfs/dbraw/zinc/79/89/74/945798974.db2.gz DDEKBRXYDWLTML-LBPRGKRZSA-N 0 1 387.469 1.785 20 0 GDADMN Cc1noc(C)c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281149 945798983 /nfs/dbraw/zinc/79/89/83/945798983.db2.gz DDEKBRXYDWLTML-LBPRGKRZSA-N 0 1 387.469 1.785 20 0 GDADMN Cc1nnc(CN[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571281609 945805819 /nfs/dbraw/zinc/80/58/19/945805819.db2.gz JWZOCIVEJUHJRP-CMPLNLGQSA-N 0 1 387.473 1.043 20 0 GDADMN Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2C)o1 ZINC001571282067 945828308 /nfs/dbraw/zinc/82/83/08/945828308.db2.gz SFGWOXOQTLQKFJ-QMTHXVAHSA-N 0 1 387.469 1.404 20 0 GDADMN Cc1ncc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2C)o1 ZINC001571282067 945828323 /nfs/dbraw/zinc/82/83/23/945828323.db2.gz SFGWOXOQTLQKFJ-QMTHXVAHSA-N 0 1 387.469 1.404 20 0 GDADMN O=C(c1cncc(F)c1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282618 945853780 /nfs/dbraw/zinc/85/37/80/945853780.db2.gz LYFVVROXRPNQMR-CYBMUJFWSA-N 0 1 387.444 1.857 20 0 GDADMN O=C(c1cncc(F)c1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282618 945853790 /nfs/dbraw/zinc/85/37/90/945853790.db2.gz LYFVVROXRPNQMR-CYBMUJFWSA-N 0 1 387.444 1.857 20 0 GDADMN O=C(c1ccc(F)cn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282733 945856818 /nfs/dbraw/zinc/85/68/18/945856818.db2.gz PEGVEKUULFAYJO-GFCCVEGCSA-N 0 1 387.444 1.857 20 0 GDADMN O=C(c1ccc(F)cn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282733 945856833 /nfs/dbraw/zinc/85/68/33/945856833.db2.gz PEGVEKUULFAYJO-GFCCVEGCSA-N 0 1 387.444 1.857 20 0 GDADMN O=C([C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571283011 945873905 /nfs/dbraw/zinc/87/39/05/945873905.db2.gz XZEXKZPQZSUQHZ-ARKSPBFVSA-N 0 1 387.447 1.282 20 0 GDADMN CCO[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571285175 945910697 /nfs/dbraw/zinc/91/06/97/945910697.db2.gz YZEQSSGGIKIEDN-JJRVBVJISA-N 0 1 387.488 1.251 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)[C@H]1CC[C@@H](F)C1 ZINC001571286190 945940768 /nfs/dbraw/zinc/94/07/68/945940768.db2.gz AILDLDMKWVRQMV-YZVFDVFRSA-N 0 1 388.422 1.690 20 0 GDADMN CN(C[C@@H]1CCCN1C(=O)c1sccc1F)c1ccnc(-c2nn[nH]n2)n1 ZINC001571287072 945968161 /nfs/dbraw/zinc/96/81/61/945968161.db2.gz ZTLMCQWDUAJLGX-JTQLQIEISA-N 0 1 388.432 1.598 20 0 GDADMN CN(C(=O)C[C@H]1CCCO1)[C@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571288362 945985091 /nfs/dbraw/zinc/98/50/91/945985091.db2.gz OQWDJJZWJWGUPZ-LSDHHAIUSA-N 0 1 388.447 1.608 20 0 GDADMN CC(=O)N[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CC2(CCOCC2)C1 ZINC001571288558 945990278 /nfs/dbraw/zinc/99/02/78/945990278.db2.gz QLYBQYHPAXIQGX-MRXNPFEDSA-N 0 1 388.447 1.513 20 0 GDADMN COc1nscc1CNC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571289764 946017637 /nfs/dbraw/zinc/01/76/37/946017637.db2.gz LYQONMRIVSOOLZ-NSHDSACASA-N 0 1 388.457 1.054 20 0 GDADMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290098 946028938 /nfs/dbraw/zinc/02/89/38/946028938.db2.gz VFVAARSIZIMFPC-MNOVXSKESA-N 0 1 388.457 1.342 20 0 GDADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290098 946028946 /nfs/dbraw/zinc/02/89/46/946028946.db2.gz VFVAARSIZIMFPC-MNOVXSKESA-N 0 1 388.457 1.342 20 0 GDADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1csc(Cl)c1 ZINC001571298612 946221539 /nfs/dbraw/zinc/22/15/39/946221539.db2.gz BNNWPVVVNZPBFF-WPRPVWTQSA-N 0 1 390.860 1.509 20 0 GDADMN CCOC1CC(C(=O)NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001571298899 946232202 /nfs/dbraw/zinc/23/22/02/946232202.db2.gz GGNYDAUGGQEYAC-UHFFFAOYSA-N 0 1 390.513 1.824 20 0 GDADMN O=C([C@@H]1Cc2ccccc21)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571298992 946234591 /nfs/dbraw/zinc/23/45/91/946234591.db2.gz MUESECMFAJVNNN-MRXNPFEDSA-N 0 1 390.451 1.069 20 0 GDADMN C[C@@H]1COCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299316 946244956 /nfs/dbraw/zinc/24/49/56/946244956.db2.gz KLHRTLADISXJBC-DOMZBBRYSA-N 0 1 390.513 1.681 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H](c1ccccc1)C1CC1 ZINC001571299564 946254905 /nfs/dbraw/zinc/25/49/05/946254905.db2.gz XFTKFYJYHWCZIN-WBVHZDCISA-N 0 1 390.451 1.545 20 0 GDADMN C[C@@]1(NC(=O)c2ccc(C3CC3)cc2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571299781 946261574 /nfs/dbraw/zinc/26/15/74/946261574.db2.gz URJVQJRGKRNMMJ-HXUWFJFHSA-N 0 1 390.451 1.933 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1csc(Cl)c1 ZINC001571299883 946263686 /nfs/dbraw/zinc/26/36/86/946263686.db2.gz QFJJWFFOZPIPBK-WCBMZHEXSA-N 0 1 390.860 1.509 20 0 GDADMN O=C(Cc1cccnc1)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571299921 946267228 /nfs/dbraw/zinc/26/72/28/946267228.db2.gz RDWTXJJATMVCOO-JTQLQIEISA-N 0 1 390.860 1.309 20 0 GDADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1csc(Cl)c1 ZINC001571300095 946272173 /nfs/dbraw/zinc/27/21/73/946272173.db2.gz USDCNZFLRDTBBF-UHFFFAOYSA-N 0 1 390.860 1.414 20 0 GDADMN C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300184 946276248 /nfs/dbraw/zinc/27/62/48/946276248.db2.gz WIYDPKDAGBWOCP-SWLSCSKDSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300184 946276252 /nfs/dbraw/zinc/27/62/52/946276252.db2.gz WIYDPKDAGBWOCP-SWLSCSKDSA-N 0 1 390.513 1.681 20 0 GDADMN O=C(COC(=O)c1c(F)cc(O)cc1F)NCc1cccc(-c2nn[nH]n2)c1 ZINC000823023136 946277269 /nfs/dbraw/zinc/27/72/69/946277269.db2.gz WJHUSHSNQKJCQH-UHFFFAOYSA-N 0 1 389.318 1.324 20 0 GDADMN CC(=O)N[C@@H]1C[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)Oc2ccccc21 ZINC001573493012 946295074 /nfs/dbraw/zinc/29/50/74/946295074.db2.gz FTPBHFBQZZFEIZ-KUHUBIRLSA-N 0 1 392.423 1.266 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000823126921 946324677 /nfs/dbraw/zinc/32/46/77/946324677.db2.gz NUOAYELOQJFEKG-GFCCVEGCSA-N 0 1 390.354 1.253 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303209 946329803 /nfs/dbraw/zinc/32/98/03/946329803.db2.gz JUNDHZQKLDYAIK-QWQRMKEZSA-N 0 1 391.435 1.055 20 0 GDADMN CN(C(=O)c1csc(=O)[nH]1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571305676 946371869 /nfs/dbraw/zinc/37/18/69/946371869.db2.gz JBYQOUGIUGUNRZ-UHFFFAOYSA-N 0 1 391.482 1.483 20 0 GDADMN CN(C(=O)c1csc(=O)[nH]1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571305676 946371880 /nfs/dbraw/zinc/37/18/80/946371880.db2.gz JBYQOUGIUGUNRZ-UHFFFAOYSA-N 0 1 391.482 1.483 20 0 GDADMN CC[C@@H](F)CN1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CCO2 ZINC001571306143 946387477 /nfs/dbraw/zinc/38/74/77/946387477.db2.gz HOSJEUZOIXGJCQ-CYBMUJFWSA-N 0 1 391.451 1.250 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC001571307917 946427376 /nfs/dbraw/zinc/42/73/76/946427376.db2.gz JYKYODUNGDENGT-KDOFPFPSSA-N 0 1 392.410 1.754 20 0 GDADMN CC(C)(CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571310367 946470905 /nfs/dbraw/zinc/47/09/05/946470905.db2.gz CXYAZOPZQAQGRO-HNNXBMFYSA-N 0 1 392.467 1.459 20 0 GDADMN CCc1ccnc(C(=O)NCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)c1 ZINC001571312668 946498982 /nfs/dbraw/zinc/49/89/82/946498982.db2.gz AEDFCDDEGMJVKF-UHFFFAOYSA-N 0 1 392.467 1.866 20 0 GDADMN CN(c1ccncc1-c1nn[nH]n1)C1CCN(C(=O)CCc2cccnc2)CC1 ZINC001571313535 946526102 /nfs/dbraw/zinc/52/61/02/946526102.db2.gz REFYUANAXJLMDJ-UHFFFAOYSA-N 0 1 392.467 1.717 20 0 GDADMN CC(=O)NC[C@@H]1CCCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823994890 946534617 /nfs/dbraw/zinc/53/46/17/946534617.db2.gz RIAJHEYDWYOCMT-MAUKXSAKSA-N 0 1 397.483 1.210 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)[C@H]2C)cnn1 ZINC001571315592 946555598 /nfs/dbraw/zinc/55/55/98/946555598.db2.gz LYDFXRCRUWPQBY-KSSFIOAISA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cc(C)nc(C(=O)N2CC[C@@H](CCNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571316164 946568322 /nfs/dbraw/zinc/56/83/22/946568322.db2.gz VGMFWPBLGOFFMC-OAHLLOKOSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1ccccc1[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316490 946579188 /nfs/dbraw/zinc/57/91/88/946579188.db2.gz DLHBKVATBPEZMZ-HUUCEWRRSA-N 0 1 392.467 1.806 20 0 GDADMN Cc1cnc(C(=O)N2CC[C@@H](CCNc3ccncc3-c3nn[nH]n3)C2)cc1C ZINC001571316745 946587374 /nfs/dbraw/zinc/58/73/74/946587374.db2.gz LJNZYEUVPIUHFH-OAHLLOKOSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1cccc(CC(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316984 946594499 /nfs/dbraw/zinc/59/44/99/946594499.db2.gz RHAGKZVUKHLQFO-FQEVSTJZSA-N 0 1 392.467 1.280 20 0 GDADMN Cc1ncc(C(=O)N[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2C)c(C)n1 ZINC001571317018 946595082 /nfs/dbraw/zinc/59/50/82/946595082.db2.gz RYSLTDXALWPLGD-KZULUSFZSA-N 0 1 392.467 1.524 20 0 GDADMN Cn1ncc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)c1C1CC1 ZINC001571317125 946601070 /nfs/dbraw/zinc/60/10/70/946601070.db2.gz VVDVXRQWDHILMS-OAHLLOKOSA-N 0 1 392.467 1.482 20 0 GDADMN Cc1cccc(CC(=O)N2C[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)c1 ZINC001571317261 946603442 /nfs/dbraw/zinc/60/34/42/946603442.db2.gz ZROGBHQGDDDRPS-GDBMZVCRSA-N 0 1 392.467 1.136 20 0 GDADMN O=C(Cc1ccc[nH]1)N[C@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571317291 946607359 /nfs/dbraw/zinc/60/73/59/946607359.db2.gz BFAKBQDNSADQAM-JTQLQIEISA-N 0 1 392.876 1.632 20 0 GDADMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824412576 946693712 /nfs/dbraw/zinc/69/37/12/946693712.db2.gz BEWOXFZRHUCWGK-CQSZACIVSA-N 0 1 386.481 1.666 20 0 GDADMN CCC1(CO)CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825171553 947109770 /nfs/dbraw/zinc/10/97/70/947109770.db2.gz RNBSAQMOBCSOHW-QGZVFWFLSA-N 0 1 384.484 1.847 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585867 947271767 /nfs/dbraw/zinc/27/17/67/947271767.db2.gz JADHCCHPSQFFGO-NEPJUHHUSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585867 947271776 /nfs/dbraw/zinc/27/17/76/947271776.db2.gz JADHCCHPSQFFGO-NEPJUHHUSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573592959 947355562 /nfs/dbraw/zinc/35/55/62/947355562.db2.gz OTMFQEYPJNYOIJ-GXTWGEPZSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573592959 947355571 /nfs/dbraw/zinc/35/55/71/947355571.db2.gz OTMFQEYPJNYOIJ-GXTWGEPZSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccc(F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573595229 947416819 /nfs/dbraw/zinc/41/68/19/947416819.db2.gz WSWOMVIIDRJLAY-ZWNOBZJWSA-N 0 1 396.390 1.129 20 0 GDADMN CC(C)N(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001573603419 947487837 /nfs/dbraw/zinc/48/78/37/947487837.db2.gz GMZVTXJAAGHSRW-PBHICJAKSA-N 0 1 387.488 1.750 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)C(C)(F)F ZINC001573613475 947563622 /nfs/dbraw/zinc/56/36/22/947563622.db2.gz AYZTVLKGDHCVEL-GXFFZTMASA-N 0 1 379.415 1.624 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)n1cccc1 ZINC001573616516 947622926 /nfs/dbraw/zinc/62/29/26/947622926.db2.gz WWAPCMYXBKINPK-XJKSGUPXSA-N 0 1 380.456 1.395 20 0 GDADMN C[C@H](C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573617353 947634880 /nfs/dbraw/zinc/63/48/80/947634880.db2.gz OWRMLESMKYPCEX-SNVBAGLBSA-N 0 1 383.378 1.675 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)C)cc1 ZINC001573354890 947638437 /nfs/dbraw/zinc/63/84/37/947638437.db2.gz JRMGBVHHSIABDM-OAHLLOKOSA-N 0 1 378.440 1.588 20 0 GDADMN C[C@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573617898 947642805 /nfs/dbraw/zinc/64/28/05/947642805.db2.gz QGBNZLHSXRKLRL-AUUYWEPGSA-N 0 1 380.456 1.397 20 0 GDADMN C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573619513 947664838 /nfs/dbraw/zinc/66/48/38/947664838.db2.gz VMKIIZBQWGZBGI-CYBMUJFWSA-N 0 1 381.444 1.147 20 0 GDADMN C[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573619873 947671505 /nfs/dbraw/zinc/67/15/05/947671505.db2.gz XDXORDNJVQCELG-VIFPVBQESA-N 0 1 384.366 1.070 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573369818 947776981 /nfs/dbraw/zinc/77/69/81/947776981.db2.gz XHIDWWVSRXPRAK-OAHLLOKOSA-N 0 1 385.472 1.402 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573629815 947784092 /nfs/dbraw/zinc/78/40/92/947784092.db2.gz VWTOXZUFGDBFQT-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573631464 947802292 /nfs/dbraw/zinc/80/22/92/947802292.db2.gz VIDIIDPWSHOJTE-UKRRQHHQSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573631805 947804926 /nfs/dbraw/zinc/80/49/26/947804926.db2.gz WZFXMAKHGDETCN-CABCVRRESA-N 0 1 380.456 1.397 20 0 GDADMN CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573374587 947810421 /nfs/dbraw/zinc/81/04/21/947810421.db2.gz KBZZWSZSYZVPKQ-AGUYFDCRSA-N 0 1 384.444 1.032 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573639938 947847977 /nfs/dbraw/zinc/84/79/77/947847977.db2.gz DIHAXLPZWDKSKQ-IPYPFGDCSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccc(F)c1 ZINC001573641287 947857165 /nfs/dbraw/zinc/85/71/65/947857165.db2.gz MBNOHNHKKBZKSL-GFCCVEGCSA-N 0 1 382.403 1.248 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573645776 947869733 /nfs/dbraw/zinc/86/97/33/947869733.db2.gz AYKREOCGCQAQHY-SKDRFNHKSA-N 0 1 386.353 1.895 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573381734 947878947 /nfs/dbraw/zinc/87/89/47/947878947.db2.gz YJZNPIODWFLCGI-QGZVFWFLSA-N 0 1 384.484 1.954 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1)C1CCCC1 ZINC001573647508 947897503 /nfs/dbraw/zinc/89/75/03/947897503.db2.gz NDMFLLKOPBVIAA-UMVBOHGHSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573654219 947963220 /nfs/dbraw/zinc/96/32/20/947963220.db2.gz PPRZNYIRVUGLAL-HXPMCKFVSA-N 0 1 384.488 1.602 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000826344275 948003965 /nfs/dbraw/zinc/00/39/65/948003965.db2.gz CECZBHHMKHSXQU-ZFWWWQNUSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000826344275 948003973 /nfs/dbraw/zinc/00/39/73/948003973.db2.gz CECZBHHMKHSXQU-ZFWWWQNUSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826344275 948003982 /nfs/dbraw/zinc/00/39/82/948003982.db2.gz CECZBHHMKHSXQU-ZFWWWQNUSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826344275 948003993 /nfs/dbraw/zinc/00/39/93/948003993.db2.gz CECZBHHMKHSXQU-ZFWWWQNUSA-N 0 1 387.488 1.819 20 0 GDADMN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573664077 948046739 /nfs/dbraw/zinc/04/67/39/948046739.db2.gz RUGGVKPQCBYTDB-PNESKVBLSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573664077 948046746 /nfs/dbraw/zinc/04/67/46/948046746.db2.gz RUGGVKPQCBYTDB-PNESKVBLSA-N 0 1 386.485 1.370 20 0 GDADMN Cc1onc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1-c1nnn[n-]1 ZINC000826347092 948049427 /nfs/dbraw/zinc/04/94/27/948049427.db2.gz DZVDVNVVJRNHKD-MRXNPFEDSA-N 0 1 381.440 1.659 20 0 GDADMN Cc1onc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826347092 948049436 /nfs/dbraw/zinc/04/94/36/948049436.db2.gz DZVDVNVVJRNHKD-MRXNPFEDSA-N 0 1 381.440 1.659 20 0 GDADMN Cc1onc(CC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826347364 948053669 /nfs/dbraw/zinc/05/36/69/948053669.db2.gz ORQMSUSJZHTYBA-UHFFFAOYSA-N 0 1 375.477 1.580 20 0 GDADMN Cc1onc(CC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826347364 948053678 /nfs/dbraw/zinc/05/36/78/948053678.db2.gz ORQMSUSJZHTYBA-UHFFFAOYSA-N 0 1 375.477 1.580 20 0 GDADMN Cc1onc(CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1-c1nnn[n-]1 ZINC000826347719 948057323 /nfs/dbraw/zinc/05/73/23/948057323.db2.gz BPCLBMVEUMMZIW-UHFFFAOYSA-N 0 1 399.455 1.353 20 0 GDADMN Cc1onc(CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1-c1nn[n-]n1 ZINC000826347719 948057332 /nfs/dbraw/zinc/05/73/32/948057332.db2.gz BPCLBMVEUMMZIW-UHFFFAOYSA-N 0 1 399.455 1.353 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573672735 948110134 /nfs/dbraw/zinc/11/01/34/948110134.db2.gz IUGCYKQFLNUTMQ-OCCSQVGLSA-N 0 1 383.481 1.817 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573679644 948166421 /nfs/dbraw/zinc/16/64/21/948166421.db2.gz MLECWUHJUDEQTB-NEPJUHHUSA-N 0 1 384.419 1.540 20 0 GDADMN CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573432633 948191539 /nfs/dbraw/zinc/19/15/39/948191539.db2.gz HKOIWQBFZZAVOV-JSGCOSHPSA-N 0 1 386.353 1.895 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573691072 948233988 /nfs/dbraw/zinc/23/39/88/948233988.db2.gz HIIOCDBLDLBGOH-AAEUAGOBSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573691072 948233997 /nfs/dbraw/zinc/23/39/97/948233997.db2.gz HIIOCDBLDLBGOH-AAEUAGOBSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573702918 948352218 /nfs/dbraw/zinc/35/22/18/948352218.db2.gz HNMIGZFECQVYQN-TZMCWYRMSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573703192 948353005 /nfs/dbraw/zinc/35/30/05/948353005.db2.gz IVJLJXCAPPIOMP-KGLIPLIRSA-N 0 1 384.488 1.816 20 0 GDADMN O=C1[C@@H](N2CCN(C3CCC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477060 948385349 /nfs/dbraw/zinc/38/53/49/948385349.db2.gz UZMHHSDVPZBRGR-SFHVURJKSA-N 0 1 381.484 1.532 20 0 GDADMN C[C@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573707912 948440926 /nfs/dbraw/zinc/44/09/26/948440926.db2.gz QHYNDYIXGJIBOB-SNVBAGLBSA-N 0 1 383.378 1.580 20 0 GDADMN C[C@@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573714020 948469514 /nfs/dbraw/zinc/46/95/14/948469514.db2.gz CQLSQMZAFMMJOT-WBMJQRKESA-N 0 1 376.436 1.369 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)C(F)(F)F ZINC001573716971 948502046 /nfs/dbraw/zinc/50/20/46/948502046.db2.gz AACCMRQUBHXAMB-YFKPBYRVSA-N 0 1 383.787 1.727 20 0 GDADMN C[C@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[C@H]1CCCO1 ZINC001573720922 948535926 /nfs/dbraw/zinc/53/59/26/948535926.db2.gz SXQGZTYNQMWYSI-KBXCAEBGSA-N 0 1 384.484 1.762 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573727390 948554448 /nfs/dbraw/zinc/55/44/48/948554448.db2.gz MXOLQWRIJRHYRG-RJZRQDKASA-N 0 1 382.472 1.566 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573729519 948569369 /nfs/dbraw/zinc/56/93/69/948569369.db2.gz UKAXCCYEFMMSRE-SOUVJXGZSA-N 0 1 380.456 1.443 20 0 GDADMN C[C@@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573739566 948620782 /nfs/dbraw/zinc/62/07/82/948620782.db2.gz FRAUHLGUCMMLSI-QWHCGFSZSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573740451 948634254 /nfs/dbraw/zinc/63/42/54/948634254.db2.gz PMDHABJSPTYSMK-NEPJUHHUSA-N 0 1 386.435 1.137 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)c1cccnc1 ZINC001573741032 948648835 /nfs/dbraw/zinc/64/88/35/948648835.db2.gz XCVWECJSCXUQFJ-OLZOCXBDSA-N 0 1 383.431 1.799 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573753605 948719038 /nfs/dbraw/zinc/71/90/38/948719038.db2.gz VUNHJULFQARMCN-BPUTZDHNSA-N 0 1 384.488 1.585 20 0 GDADMN C[C@H](C(=O)Nc1ccc2cc(N(C)C)ccc2c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755157 948757596 /nfs/dbraw/zinc/75/75/96/948757596.db2.gz BKRRQUNFFACKKY-LLVKDONJSA-N 0 1 377.412 1.877 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574418221 948777462 /nfs/dbraw/zinc/77/74/62/948777462.db2.gz VRKXBDHRHGATIO-VXGBXAGGSA-N 0 1 381.444 1.216 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574080030 948781431 /nfs/dbraw/zinc/78/14/31/948781431.db2.gz NMNZNAAVUJUNEK-LQKXBSAESA-N 0 1 376.411 1.546 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574917095 948805509 /nfs/dbraw/zinc/80/55/09/948805509.db2.gz QRNJVTTUILQNGB-SECBINFHSA-N 0 1 392.876 1.921 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574081098 948815603 /nfs/dbraw/zinc/81/56/03/948815603.db2.gz PQZSPHSNJHKXTR-BLLLJJGKSA-N 0 1 375.452 1.977 20 0 GDADMN C[C@@H](CNC(=O)CCCn1cccc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574918158 948837194 /nfs/dbraw/zinc/83/71/94/948837194.db2.gz GLUJSXRUKPNZBR-AWEZNQCLSA-N 0 1 385.447 1.882 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573763150 948863022 /nfs/dbraw/zinc/86/30/22/948863022.db2.gz BZINEFGKBJTTPV-SECBINFHSA-N 0 1 384.366 1.070 20 0 GDADMN CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)no1 ZINC001574426637 948891821 /nfs/dbraw/zinc/89/18/21/948891821.db2.gz UNXPCRAGQLETCZ-MNOVXSKESA-N 0 1 386.420 1.279 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccnnc1 ZINC001574685663 948914180 /nfs/dbraw/zinc/91/41/80/948914180.db2.gz YOOBERUTMQIALL-ZETCQYMHSA-N 0 1 379.837 1.387 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cccnn1 ZINC001574685680 948915157 /nfs/dbraw/zinc/91/51/57/948915157.db2.gz ZAYOKSPQOARGCF-SSDOTTSWSA-N 0 1 379.837 1.387 20 0 GDADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001574685653 948916026 /nfs/dbraw/zinc/91/60/26/948916026.db2.gz YLQBUKGEUJKONV-WDEREUQCSA-N 0 1 387.423 1.309 20 0 GDADMN CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001574088327 948919048 /nfs/dbraw/zinc/91/90/48/948919048.db2.gz AWTZSRRHZQKUKF-VMUDFCTBSA-N 0 1 385.472 1.194 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573765821 948926543 /nfs/dbraw/zinc/92/65/43/948926543.db2.gz KLBFVXUXNSMICN-CQSZACIVSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@H](CNC(=O)CCn1cccc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574923219 948937243 /nfs/dbraw/zinc/93/72/43/948937243.db2.gz HSSOIXOOMNXIIM-SECBINFHSA-N 0 1 380.865 1.785 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574433181 948950681 /nfs/dbraw/zinc/95/06/81/948950681.db2.gz KJQGDDNUABKZHL-LBPRGKRZSA-N 0 1 383.460 1.161 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001574433377 948951855 /nfs/dbraw/zinc/95/18/55/948951855.db2.gz WTGYCGVJICWLMC-HALDLXJZSA-N 0 1 391.439 1.040 20 0 GDADMN CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575239504 948961100 /nfs/dbraw/zinc/96/11/00/948961100.db2.gz SXSVXHPYNNLPSC-LLVKDONJSA-N 0 1 380.403 1.425 20 0 GDADMN CC(C)(C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573772744 948965553 /nfs/dbraw/zinc/96/55/53/948965553.db2.gz DBJIZIJIGBQLOF-CQSZACIVSA-N 0 1 390.463 1.399 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)F ZINC001573772898 948969607 /nfs/dbraw/zinc/96/96/07/948969607.db2.gz YBXKFBIZRFERFW-JTQLQIEISA-N 0 1 380.403 1.423 20 0 GDADMN CC(C)[C@H](C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001574689153 948980770 /nfs/dbraw/zinc/98/07/70/948980770.db2.gz DYCKAULYYASULJ-UKRRQHHQSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@H](C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001574689153 948980781 /nfs/dbraw/zinc/98/07/81/948980781.db2.gz DYCKAULYYASULJ-UKRRQHHQSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091044 949003365 /nfs/dbraw/zinc/00/33/65/949003365.db2.gz MPRQTWPXDFZEJB-KBPBESRZSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574693121 949046717 /nfs/dbraw/zinc/04/67/17/949046717.db2.gz AOCBHSQSRJBROS-AWEZNQCLSA-N 0 1 387.492 1.230 20 0 GDADMN C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574693121 949046734 /nfs/dbraw/zinc/04/67/34/949046734.db2.gz AOCBHSQSRJBROS-AWEZNQCLSA-N 0 1 387.492 1.230 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1)[NH+](C)C ZINC001574694603 949082910 /nfs/dbraw/zinc/08/29/10/949082910.db2.gz SLXGHFYBADWSFN-WBMJQRKESA-N 0 1 377.468 1.851 20 0 GDADMN C[C@@H](NC(=O)[C@@]1(F)CCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575251312 949135612 /nfs/dbraw/zinc/13/56/12/949135612.db2.gz ANXOXCOVDGFNAN-ADLMAVQZSA-N 0 1 392.410 1.071 20 0 GDADMN CC(C)c1ocnc1C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574447363 949157684 /nfs/dbraw/zinc/15/76/84/949157684.db2.gz NOFCWNGTPYUMPG-UHFFFAOYSA-N 0 1 381.440 1.840 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573787209 949170353 /nfs/dbraw/zinc/17/03/53/949170353.db2.gz PMWNKKPQXAORNX-GASCZTMLSA-N 0 1 377.452 1.721 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574935405 949199664 /nfs/dbraw/zinc/19/96/64/949199664.db2.gz BNNATSRFYZZRFS-NSHDSACASA-N 0 1 386.847 1.139 20 0 GDADMN O=C([O-])c1ccc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC001595215336 949216448 /nfs/dbraw/zinc/21/64/48/949216448.db2.gz YUOCPCRBCOBNDO-MOPGFXCFSA-N 0 1 381.432 1.895 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001589604325 949220964 /nfs/dbraw/zinc/22/09/64/949220964.db2.gz AQBRWTKKSMVQKT-GOSISDBHSA-N 0 1 377.397 1.640 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575255346 949225565 /nfs/dbraw/zinc/22/55/65/949225565.db2.gz ZGBXFRIHTIQRKO-QWHCGFSZSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)[NH+]1CCCCCC1 ZINC001574699085 949227826 /nfs/dbraw/zinc/22/78/26/949227826.db2.gz SGXPASJORYHGEC-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)[NH+]1CCCCCC1 ZINC001574699085 949227834 /nfs/dbraw/zinc/22/78/34/949227834.db2.gz SGXPASJORYHGEC-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN CC(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574103279 949239747 /nfs/dbraw/zinc/23/97/47/949239747.db2.gz PJBDGZSEGKWJSD-XGUBFFRZSA-N 0 1 382.472 1.376 20 0 GDADMN CC(C)CC(=O)N1CC2(C[C@@H]1C)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001574103683 949262922 /nfs/dbraw/zinc/26/29/22/949262922.db2.gz ZZYITFXTRGSROA-AWEZNQCLSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CNC(=O)Cc1cccnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574940606 949269642 /nfs/dbraw/zinc/26/96/42/949269642.db2.gz HKXMJWANQCKLGF-SECBINFHSA-N 0 1 392.876 1.779 20 0 GDADMN CC1=C(C)C[C@@H](C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575860488 949300507 /nfs/dbraw/zinc/30/05/07/949300507.db2.gz JHJNEOYJURTNAB-CABCVRRESA-N 0 1 382.472 1.736 20 0 GDADMN C[C@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575259207 949323300 /nfs/dbraw/zinc/32/33/00/949323300.db2.gz NUEXOVQKQYYJMI-STQMWFEESA-N 0 1 385.472 1.196 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574942174 949338606 /nfs/dbraw/zinc/33/86/06/949338606.db2.gz XCFQDTPKWPCNSS-NSHDSACASA-N 0 1 387.394 1.724 20 0 GDADMN CC(C)CC(=O)N1C[C@@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@@H]2C1 ZINC001574109883 949340343 /nfs/dbraw/zinc/34/03/43/949340343.db2.gz IDPQBDQWRCQGPT-AOOOYVTPSA-N 0 1 381.893 1.917 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CCCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575262732 949376993 /nfs/dbraw/zinc/37/69/93/949376993.db2.gz BTGFNJAYFONBNI-GXTWGEPZSA-N 0 1 388.447 1.369 20 0 GDADMN CC(C)n1cnc(C(=O)N(C)CCCN(C)c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574463892 949386401 /nfs/dbraw/zinc/38/64/01/949386401.db2.gz AKHGDKFNWYDUIT-UHFFFAOYSA-N 0 1 384.448 1.033 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574465133 949429164 /nfs/dbraw/zinc/42/91/64/949429164.db2.gz PGZIRZMPEJQNGT-CQSZACIVSA-N 0 1 380.456 1.640 20 0 GDADMN CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574465403 949434301 /nfs/dbraw/zinc/43/43/01/949434301.db2.gz XNEBJDOOHQYJNX-ZDUSSCGKSA-N 0 1 381.444 1.178 20 0 GDADMN CC(C)n1nccc1C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574468040 949454736 /nfs/dbraw/zinc/45/47/36/949454736.db2.gz FYIXYRARWCODQA-UHFFFAOYSA-N 0 1 381.444 1.178 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001574468954 949470185 /nfs/dbraw/zinc/47/01/85/949470185.db2.gz WEILUZKXEVSKCC-TXEJJXNPSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001574468954 949470198 /nfs/dbraw/zinc/47/01/98/949470198.db2.gz WEILUZKXEVSKCC-TXEJJXNPSA-N 0 1 386.485 1.756 20 0 GDADMN C[C@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575871606 949513452 /nfs/dbraw/zinc/51/34/52/949513452.db2.gz AWMIZNFCPRDXLD-BLLLJJGKSA-N 0 1 390.463 1.636 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574711264 949530836 /nfs/dbraw/zinc/53/08/36/949530836.db2.gz FMFAGJYOQGLBEN-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574711264 949530887 /nfs/dbraw/zinc/53/08/87/949530887.db2.gz FMFAGJYOQGLBEN-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574711264 949530903 /nfs/dbraw/zinc/53/09/03/949530903.db2.gz FMFAGJYOQGLBEN-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCC(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001576163596 949541935 /nfs/dbraw/zinc/54/19/35/949541935.db2.gz CGMHNLWYUISMQM-CXAGYDPISA-N 0 1 390.463 1.807 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164912 949560284 /nfs/dbraw/zinc/56/02/84/949560284.db2.gz IFZXBNNOXXFRDN-TZMCWYRMSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873356 949576852 /nfs/dbraw/zinc/57/68/52/949576852.db2.gz OLFYVUHQRZJTRG-GXTWGEPZSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574712699 949585297 /nfs/dbraw/zinc/58/52/97/949585297.db2.gz SYNRYVPNGCCMHW-SNVBAGLBSA-N 0 1 382.419 1.409 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575873667 949585586 /nfs/dbraw/zinc/58/55/86/949585586.db2.gz BJRTWKVXSMSHTB-WFASDCNBSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@@H](NC(=O)CCCc1ccccc1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270532 949594413 /nfs/dbraw/zinc/59/44/13/949594413.db2.gz DOGQQVGDFFMXCJ-ZIAGYGMSSA-N 0 1 380.456 1.407 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCOC1 ZINC001573811596 949603626 /nfs/dbraw/zinc/60/36/26/949603626.db2.gz MHFZHCNNOOVTKH-RISCZKNCSA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCOC1 ZINC001573811596 949603647 /nfs/dbraw/zinc/60/36/47/949603647.db2.gz MHFZHCNNOOVTKH-RISCZKNCSA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001573815598 949657328 /nfs/dbraw/zinc/65/73/28/949657328.db2.gz JBJULJQCKGQCST-SFDCQRBFSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575552705 949683905 /nfs/dbraw/zinc/68/39/05/949683905.db2.gz IJKGRFLIDZAOQI-YVEFUNNKSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575552705 949683917 /nfs/dbraw/zinc/68/39/17/949683917.db2.gz IJKGRFLIDZAOQI-YVEFUNNKSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574958714 949687637 /nfs/dbraw/zinc/68/76/37/949687637.db2.gz MVXHWNNJFDZOMM-ZQGRQUNCSA-N 0 1 392.467 1.221 20 0 GDADMN CCCCCC[C@](O)(C[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)C(=O)OC ZINC001589644868 949712833 /nfs/dbraw/zinc/71/28/33/949712833.db2.gz CPIOULPECDSLDO-WQZMYJITSA-N 0 1 399.484 1.447 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574134713 949725306 /nfs/dbraw/zinc/72/53/06/949725306.db2.gz IOODVQZKGIVQHG-LSDHHAIUSA-N 0 1 386.504 1.801 20 0 GDADMN C[C@@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001574479096 949728031 /nfs/dbraw/zinc/72/80/31/949728031.db2.gz CUENJMOFLKIMIF-AWEZNQCLSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCc1ccns1 ZINC001575881912 949743040 /nfs/dbraw/zinc/74/30/40/949743040.db2.gz DBPPZUPUMWWBRX-BXUZGUMPSA-N 0 1 386.485 1.477 20 0 GDADMN C[C@@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576170999 949743399 /nfs/dbraw/zinc/74/33/99/949743399.db2.gz OMPKMCSVEZRCBU-CXAGYDPISA-N 0 1 385.472 1.149 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)CCOC1 ZINC001575559353 949753898 /nfs/dbraw/zinc/75/38/98/949753898.db2.gz BHFURIHZSKRENJ-YJBOKZPZSA-N 0 1 383.456 1.163 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCC1(F)F ZINC001573820288 949763767 /nfs/dbraw/zinc/76/37/67/949763767.db2.gz XCJFMQNMDGUIEW-YPMHNXCESA-N 0 1 379.415 1.672 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)ccc(F)c1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574965327 949794298 /nfs/dbraw/zinc/79/42/98/949794298.db2.gz FUEKTNBGSXDZOP-VIFPVBQESA-N 0 1 391.357 1.934 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC2CC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172117 949795935 /nfs/dbraw/zinc/79/59/35/949795935.db2.gz VGFFLRFIXSABNM-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576172325 949800488 /nfs/dbraw/zinc/80/04/88/949800488.db2.gz TZISXXTZNIMBFS-ZFWWWQNUSA-N 0 1 384.488 1.910 20 0 GDADMN O=C([O-])c1cnc(C(=O)OCCN2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC001595269633 949814471 /nfs/dbraw/zinc/81/44/71/949814471.db2.gz SLQFPKQVLWXNDV-UHFFFAOYSA-N 0 1 376.438 1.211 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573824407 949849844 /nfs/dbraw/zinc/84/98/44/949849844.db2.gz FIGRFLMZMXRHCF-RUXDESIVSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575885044 949861147 /nfs/dbraw/zinc/86/11/47/949861147.db2.gz KCODRABMTMUSSB-ONGXEEELSA-N 0 1 387.835 1.426 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574484195 949866443 /nfs/dbraw/zinc/86/64/43/949866443.db2.gz FGCMCRWGMYHXIT-CABCVRRESA-N 0 1 380.456 1.539 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575284165 949898703 /nfs/dbraw/zinc/89/87/03/949898703.db2.gz HYJSWGRMVFBYNA-HUUCEWRRSA-N 0 1 386.504 1.323 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575284165 949898720 /nfs/dbraw/zinc/89/87/20/949898720.db2.gz HYJSWGRMVFBYNA-HUUCEWRRSA-N 0 1 386.504 1.323 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575569075 949908298 /nfs/dbraw/zinc/90/82/98/949908298.db2.gz FQCGZVMXQIQDRC-SJCJKPOMSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H](NC(=O)CN1CCc2ccccc21)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575284840 949923922 /nfs/dbraw/zinc/92/39/22/949923922.db2.gz KLIOIKRHGBXKLT-UONOGXRCSA-N 0 1 392.467 1.051 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575285313 949944551 /nfs/dbraw/zinc/94/45/51/949944551.db2.gz MTLOHAMHSUFQAX-RKDXNWHRSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575285313 949944569 /nfs/dbraw/zinc/94/45/69/949944569.db2.gz MTLOHAMHSUFQAX-RKDXNWHRSA-N 0 1 386.913 1.622 20 0 GDADMN C[C@]1(C(=O)NC2CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)CCOC1 ZINC001575571183 949954157 /nfs/dbraw/zinc/95/41/57/949954157.db2.gz YGMIFSYGILUHDP-IBGZPJMESA-N 0 1 388.447 1.513 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181331 949997589 /nfs/dbraw/zinc/99/75/89/949997589.db2.gz TUTAASNBEKMWTM-VXGBXAGGSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@H](C(=O)[O-])[N@@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001602820327 971624918 /nfs/dbraw/zinc/62/49/18/971624918.db2.gz RFMOQUDHYAKZGU-KGLIPLIRSA-N 0 1 383.489 1.687 20 0 GDADMN C[C@@H]1CCN(C(=O)CC2CCCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181661 950013406 /nfs/dbraw/zinc/01/34/06/950013406.db2.gz IQOJFDNFTVFHPR-HIFRSBDPSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)C[C@H](CN[C@H](C)c1cnccn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574150849 950039971 /nfs/dbraw/zinc/03/99/71/950039971.db2.gz FJYVZGNRFUHHID-TZMCWYRMSA-N 0 1 383.460 1.480 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)C[C@@H](O)c1ccccc1F ZINC001574975669 950045331 /nfs/dbraw/zinc/04/53/31/950045331.db2.gz YDMBQUYDEHVISG-BDJLRTHQSA-N 0 1 387.419 1.118 20 0 GDADMN C[C@]1(C(=O)NCC2(NCc3cc(-c4nn[nH]n4)ccc3F)CCC2)CCOC1 ZINC001575576565 950070857 /nfs/dbraw/zinc/07/08/57/950070857.db2.gz RELWMVDRRCDQTE-SFHVURJKSA-N 0 1 388.447 1.561 20 0 GDADMN C[C@H](CN(C)C(=O)Cn1cccn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574732562 950076406 /nfs/dbraw/zinc/07/64/06/950076406.db2.gz KCGBUVGMASBORH-MRVPVSSYSA-N 0 1 381.853 1.132 20 0 GDADMN C[C@H](CC(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001574492439 950080349 /nfs/dbraw/zinc/08/03/49/950080349.db2.gz MTUIIVXEWMCSMM-UHYGZKCKSA-N 0 1 382.472 1.711 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cn(C)cn1 ZINC001574151667 950089938 /nfs/dbraw/zinc/08/99/38/950089938.db2.gz XOBYAHJFUQQDET-LBPRGKRZSA-N 0 1 388.501 1.596 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cn(C)cn1 ZINC001574151667 950089968 /nfs/dbraw/zinc/08/99/68/950089968.db2.gz XOBYAHJFUQQDET-LBPRGKRZSA-N 0 1 388.501 1.596 20 0 GDADMN CC1(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575582510 950115329 /nfs/dbraw/zinc/11/53/29/950115329.db2.gz DZBPMFKOOPISEC-AWEZNQCLSA-N 0 1 384.488 1.960 20 0 GDADMN C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184660 950139019 /nfs/dbraw/zinc/13/90/19/950139019.db2.gz WWHJOVXRCSJJAI-WCQYABFASA-N 0 1 391.426 1.625 20 0 GDADMN C[C@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001574493950 950144905 /nfs/dbraw/zinc/14/49/05/950144905.db2.gz VPDJWBJGRKRJHH-CQSZACIVSA-N 0 1 380.456 1.800 20 0 GDADMN C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574494237 950155684 /nfs/dbraw/zinc/15/56/84/950155684.db2.gz YBGDOJLCAJCFNG-HIFPTAJRSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001574494266 950159101 /nfs/dbraw/zinc/15/91/01/950159101.db2.gz JNCOMBZCMIGJSA-DTWKUNHWSA-N 0 1 392.407 1.083 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575585588 950199636 /nfs/dbraw/zinc/19/96/36/950199636.db2.gz AYUHFKFKQHJJHB-PXAZEXFGSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585588 950199646 /nfs/dbraw/zinc/19/96/46/950199646.db2.gz AYUHFKFKQHJJHB-PXAZEXFGSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585588 950199653 /nfs/dbraw/zinc/19/96/53/950199653.db2.gz AYUHFKFKQHJJHB-PXAZEXFGSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585588 950199663 /nfs/dbraw/zinc/19/96/63/950199663.db2.gz AYUHFKFKQHJJHB-PXAZEXFGSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585588 950199673 /nfs/dbraw/zinc/19/96/73/950199673.db2.gz AYUHFKFKQHJJHB-PXAZEXFGSA-N 0 1 376.486 1.293 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574155581 950202585 /nfs/dbraw/zinc/20/25/85/950202585.db2.gz OHFBMFXTWVTXCJ-ZJUUUORDSA-N 0 1 386.382 1.220 20 0 GDADMN CC1(C(=O)NC[C@@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)CCCO2)CC1 ZINC001575586025 950211703 /nfs/dbraw/zinc/21/17/03/950211703.db2.gz FZJZOOPYZMURGJ-OAHLLOKOSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(F)s1 ZINC001574157649 950246193 /nfs/dbraw/zinc/24/61/93/950246193.db2.gz FVRAMTQABQYYBA-JTQLQIEISA-N 0 1 390.448 1.536 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001574157667 950250575 /nfs/dbraw/zinc/25/05/75/950250575.db2.gz GFVJCUGJVPGZEV-HNNXBMFYSA-N 0 1 380.456 1.264 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)n1cccc1 ZINC001574497981 950251153 /nfs/dbraw/zinc/25/11/53/950251153.db2.gz HSLORUUTOJOSSZ-AWEZNQCLSA-N 0 1 380.456 1.587 20 0 GDADMN CC1(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575589179 950263454 /nfs/dbraw/zinc/26/34/54/950263454.db2.gz VOVSHXRGETVMBE-NSHDSACASA-N 0 1 377.399 1.640 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(F)cc1 ZINC001574158274 950277800 /nfs/dbraw/zinc/27/78/00/950277800.db2.gz QDOIVMYCIFCKDK-AWEZNQCLSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@]1(C(=O)NCCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C2CC2)CCOC1 ZINC001575592099 950278623 /nfs/dbraw/zinc/27/86/23/950278623.db2.gz CNNAJMNYEULNPP-IBGZPJMESA-N 0 1 388.447 1.513 20 0 GDADMN CC1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575592634 950294162 /nfs/dbraw/zinc/29/41/62/950294162.db2.gz IDUPYOPAAVZIRH-NSHDSACASA-N 0 1 392.414 1.425 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905775 950303224 /nfs/dbraw/zinc/30/32/24/950303224.db2.gz FILYPUBKJWCROK-MFKMUULPSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905775 950303245 /nfs/dbraw/zinc/30/32/45/950303245.db2.gz FILYPUBKJWCROK-MFKMUULPSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576194000 950322127 /nfs/dbraw/zinc/32/21/27/950322127.db2.gz XDMFXOZTXPVMFC-NEPJUHHUSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576194000 950322146 /nfs/dbraw/zinc/32/21/46/950322146.db2.gz XDMFXOZTXPVMFC-NEPJUHHUSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576196475 950363384 /nfs/dbraw/zinc/36/33/84/950363384.db2.gz FDSMWRKVRYHFFX-AUUYWEPGSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576196475 950363401 /nfs/dbraw/zinc/36/34/01/950363401.db2.gz FDSMWRKVRYHFFX-AUUYWEPGSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575597296 950406651 /nfs/dbraw/zinc/40/66/51/950406651.db2.gz OGKNNZRXAHZSNQ-FHSNZYRGSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575597296 950406660 /nfs/dbraw/zinc/40/66/60/950406660.db2.gz OGKNNZRXAHZSNQ-FHSNZYRGSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574503700 950417091 /nfs/dbraw/zinc/41/70/91/950417091.db2.gz YTSAURIDEJJRHB-GJZGRUSLSA-N 0 1 380.456 1.657 20 0 GDADMN CC(C)CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001574165312 950444393 /nfs/dbraw/zinc/44/43/93/950444393.db2.gz CXAHVZKATGUELC-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204063 950455401 /nfs/dbraw/zinc/45/54/01/950455401.db2.gz KNUUZBFTQJJSRI-RDBSUJKOSA-N 0 1 385.447 1.137 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204063 950455418 /nfs/dbraw/zinc/45/54/18/950455418.db2.gz KNUUZBFTQJJSRI-RDBSUJKOSA-N 0 1 385.447 1.137 20 0 GDADMN C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)c1cccc2n[nH]cc21 ZINC001575912544 950464462 /nfs/dbraw/zinc/46/44/62/950464462.db2.gz GZVSOEUBXPYPFS-NHYWBVRUSA-N 0 1 389.423 1.853 20 0 GDADMN C[C@@H](CN(C)c1ncc(-c2nn[nH]n2)cc1F)NC(=O)CN1CCC(C)CC1 ZINC001576204364 950465285 /nfs/dbraw/zinc/46/52/85/950465285.db2.gz OSDRTAAVBQKPCM-ZDUSSCGKSA-N 0 1 390.467 1.074 20 0 GDADMN CC(C)CC1(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001574166705 950471382 /nfs/dbraw/zinc/47/13/82/950471382.db2.gz WCVPNTMYUPCQNO-AWEZNQCLSA-N 0 1 387.488 1.179 20 0 GDADMN C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574508173 950472561 /nfs/dbraw/zinc/47/25/61/950472561.db2.gz JZOVOHASYVIHCK-CYBMUJFWSA-N 0 1 381.444 1.195 20 0 GDADMN CC(C)(C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)C1 ZINC001573863404 950479845 /nfs/dbraw/zinc/47/98/45/950479845.db2.gz HDXAVPYWKAPGKO-JTQLQIEISA-N 0 1 383.430 1.202 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cccc(F)c1-c1nn[n-]n1)C2 ZINC001573863560 950485038 /nfs/dbraw/zinc/48/50/38/950485038.db2.gz LTLQWQNKVMOGIS-DJJJIMSYSA-N 0 1 389.431 1.796 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1cccc(F)c1-c1nn[n-]n1)C2 ZINC001573863560 950485060 /nfs/dbraw/zinc/48/50/60/950485060.db2.gz LTLQWQNKVMOGIS-DJJJIMSYSA-N 0 1 389.431 1.796 20 0 GDADMN CC(C)(C)OC(=O)c1cc(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001573863790 950488958 /nfs/dbraw/zinc/48/89/58/950488958.db2.gz QYCVUGICSPSPCC-UHFFFAOYSA-N 0 1 384.400 1.596 20 0 GDADMN C[C@@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205284 950505392 /nfs/dbraw/zinc/50/53/92/950505392.db2.gz WMUFLFXKKOTTIW-KBPBESRZSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@@H](C)CNc2ccncc2-c2nn[nH]n2)n(C)n1 ZINC001574997299 950545773 /nfs/dbraw/zinc/54/57/73/950545773.db2.gz SPCSIVWVISSKLL-LBPRGKRZSA-N 0 1 383.460 1.019 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573870867 950606144 /nfs/dbraw/zinc/60/61/44/950606144.db2.gz YSCSZOTYSALZSG-AWEZNQCLSA-N 0 1 375.477 1.442 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574173897 950607986 /nfs/dbraw/zinc/60/79/86/950607986.db2.gz OSMXRKBTZQYWCA-IBGZPJMESA-N 0 1 384.488 1.912 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccc2ncn(C)c21)Nc1ccncc1-c1nn[nH]n1 ZINC001574758970 950622435 /nfs/dbraw/zinc/62/24/35/950622435.db2.gz IKJVLSCYAZZESL-GFCCVEGCSA-N 0 1 391.439 1.143 20 0 GDADMN CC1(C)C(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC001575619859 950623603 /nfs/dbraw/zinc/62/36/03/950623603.db2.gz RDKOPOLVGZSSJB-SNVBAGLBSA-N 0 1 378.502 1.177 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(Cl)cs1 ZINC001575920258 950631590 /nfs/dbraw/zinc/63/15/90/950631590.db2.gz LZJHLZLMYQLYEM-WCBMZHEXSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCc1cccnc1 ZINC001575921353 950636279 /nfs/dbraw/zinc/63/62/79/950636279.db2.gz NNBBVUCFSVCNKW-RHSMWYFYSA-N 0 1 392.467 1.503 20 0 GDADMN CC(C)(C)OCc1cccc(NC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 ZINC001573873289 950641389 /nfs/dbraw/zinc/64/13/89/950641389.db2.gz GZFBYMUXDHMHJJ-UHFFFAOYSA-N 0 1 385.432 1.595 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575002606 950664457 /nfs/dbraw/zinc/66/44/57/950664457.db2.gz VXBJAJGCDMGFOQ-LBPRGKRZSA-N 0 1 381.440 1.988 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CN(C)c1ccccc1 ZINC001575925579 950687721 /nfs/dbraw/zinc/68/77/21/950687721.db2.gz HPYDRKSEJJXVKW-WMLDXEAASA-N 0 1 392.467 1.221 20 0 GDADMN CC1(C)CC(C(=O)N2CCC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575625861 950700604 /nfs/dbraw/zinc/70/06/04/950700604.db2.gz YUVAURBHSWNXRE-ZDUSSCGKSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575926830 950722479 /nfs/dbraw/zinc/72/24/79/950722479.db2.gz MDGXSRHADFYNRW-MFKMUULPSA-N 0 1 386.847 1.391 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576217061 950753179 /nfs/dbraw/zinc/75/31/79/950753179.db2.gz GOANQCAKSNUUMJ-PWSUYJOCSA-N 0 1 377.399 1.378 20 0 GDADMN CC1(C)CC(C(=O)N[C@]23CCC[C@H]2N(c2ccnc(-c4nn[nH]n4)n2)CC3)C1 ZINC001575629989 950754533 /nfs/dbraw/zinc/75/45/33/950754533.db2.gz XUPRCYWWTFQMGB-YJYMSZOUSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ccn(C)n1 ZINC001574522894 950801400 /nfs/dbraw/zinc/80/14/00/950801400.db2.gz LRFAVATWUXXDNF-NWDGAFQWSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ccn(C)n1 ZINC001574522894 950801421 /nfs/dbraw/zinc/80/14/21/950801421.db2.gz LRFAVATWUXXDNF-NWDGAFQWSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC1(O)CCC1 ZINC001574523440 950812386 /nfs/dbraw/zinc/81/23/86/950812386.db2.gz NRNIRPYGUOGUKY-RYUDHWBXSA-N 0 1 378.502 1.606 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574523440 950812405 /nfs/dbraw/zinc/81/24/05/950812405.db2.gz NRNIRPYGUOGUKY-RYUDHWBXSA-N 0 1 378.502 1.606 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931524 950813991 /nfs/dbraw/zinc/81/39/91/950813991.db2.gz IKWSRUSMWJQINX-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931524 950814007 /nfs/dbraw/zinc/81/40/07/950814007.db2.gz IKWSRUSMWJQINX-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)CCCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574188608 950850195 /nfs/dbraw/zinc/85/01/95/950850195.db2.gz XBRRLKBPQYSVMK-LSDHHAIUSA-N 0 1 384.488 1.910 20 0 GDADMN CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639913 950881208 /nfs/dbraw/zinc/88/12/08/950881208.db2.gz DFYNGQLWSCWKBB-NSHDSACASA-N 0 1 383.416 1.070 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576226481 950884247 /nfs/dbraw/zinc/88/42/47/950884247.db2.gz BSIDZVROLYNKQN-DOMZBBRYSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576226481 950884261 /nfs/dbraw/zinc/88/42/61/950884261.db2.gz BSIDZVROLYNKQN-DOMZBBRYSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574768629 950893896 /nfs/dbraw/zinc/89/38/96/950893896.db2.gz ZWRBFLKMIOPVDS-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccon1 ZINC001575935782 950894350 /nfs/dbraw/zinc/89/43/50/950894350.db2.gz YRWTUKRAXGQALL-NKWVEPMBSA-N 0 1 380.821 1.680 20 0 GDADMN CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001573893970 950912196 /nfs/dbraw/zinc/91/21/96/950912196.db2.gz GLGBMDHOHXCMLF-TXEJJXNPSA-N 0 1 381.444 1.008 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573897812 950966840 /nfs/dbraw/zinc/96/68/40/950966840.db2.gz TVPJQAWUBUUWOM-TZMCWYRMSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574773950 950995719 /nfs/dbraw/zinc/99/57/19/950995719.db2.gz AABIHCQXUWRXRW-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cccc(F)c1Cl ZINC001575018419 951021803 /nfs/dbraw/zinc/02/18/03/951021803.db2.gz QBTHXCOOMZGDSV-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575024574 951108037 /nfs/dbraw/zinc/10/80/37/951108037.db2.gz HVIBKVXGAYVOAD-NSHDSACASA-N 0 1 384.465 1.771 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575024574 951108045 /nfs/dbraw/zinc/10/80/45/951108045.db2.gz HVIBKVXGAYVOAD-NSHDSACASA-N 0 1 384.465 1.771 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@@H]2CCO)c(C(=O)[O-])c1C ZINC001591466904 951149903 /nfs/dbraw/zinc/14/99/03/951149903.db2.gz RGZFTERCUCGLTJ-LLVKDONJSA-N 0 1 384.454 1.717 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H]2CCO)c(C(=O)[O-])c1C ZINC001591466904 951149909 /nfs/dbraw/zinc/14/99/09/951149909.db2.gz RGZFTERCUCGLTJ-LLVKDONJSA-N 0 1 384.454 1.717 20 0 GDADMN C[C@@H](CNC(=O)c1cccnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575031681 951202217 /nfs/dbraw/zinc/20/22/17/951202217.db2.gz GUECTLSIOGPBCC-QMMMGPOBSA-N 0 1 378.849 1.850 20 0 GDADMN C[C@@H](CNC(=O)c1ccns1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575033878 951232748 /nfs/dbraw/zinc/23/27/48/951232748.db2.gz DFKGUEFFUBIBRT-LURJTMIESA-N 0 1 384.878 1.911 20 0 GDADMN C[C@@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575036521 951295958 /nfs/dbraw/zinc/29/59/58/951295958.db2.gz UCYHHQXGSBAECS-QMMMGPOBSA-N 0 1 382.400 1.428 20 0 GDADMN C[C@@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575036521 951295969 /nfs/dbraw/zinc/29/59/69/951295969.db2.gz UCYHHQXGSBAECS-QMMMGPOBSA-N 0 1 382.400 1.428 20 0 GDADMN O=C([O-])CC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001595018829 951305263 /nfs/dbraw/zinc/30/52/63/951305263.db2.gz FQVCGXNODGQKEF-ZBFHGGJFSA-N 0 1 376.453 1.888 20 0 GDADMN C[C@H](CNC(=O)c1cn2c(n1)CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575043731 951403548 /nfs/dbraw/zinc/40/35/48/951403548.db2.gz MOIFBHORASFZDB-LLVKDONJSA-N 0 1 384.419 1.057 20 0 GDADMN C[C@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043986 951407952 /nfs/dbraw/zinc/40/79/52/951407952.db2.gz NLGLVIBMQZZPTA-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575043986 951407961 /nfs/dbraw/zinc/40/79/61/951407961.db2.gz NLGLVIBMQZZPTA-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054610 951494163 /nfs/dbraw/zinc/49/41/63/951494163.db2.gz JCOLUFQZKRGTOH-JTQLQIEISA-N 0 1 378.437 1.002 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575054610 951494168 /nfs/dbraw/zinc/49/41/68/951494168.db2.gz JCOLUFQZKRGTOH-JTQLQIEISA-N 0 1 378.437 1.002 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575055530 951507349 /nfs/dbraw/zinc/50/73/49/951507349.db2.gz WKQVXHLJONYJQT-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575055530 951507357 /nfs/dbraw/zinc/50/73/57/951507357.db2.gz WKQVXHLJONYJQT-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN C[C@H](CNC(=O)c1csc(=O)[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575056608 951521271 /nfs/dbraw/zinc/52/12/71/951521271.db2.gz JPGJZVCWPLABSQ-MRVPVSSYSA-N 0 1 377.405 1.076 20 0 GDADMN C[C@@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067533 951613961 /nfs/dbraw/zinc/61/39/61/951613961.db2.gz UXNANPYHNWVAGX-ZETCQYMHSA-N 0 1 383.384 1.762 20 0 GDADMN C[C@@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067533 951613965 /nfs/dbraw/zinc/61/39/65/951613965.db2.gz UXNANPYHNWVAGX-ZETCQYMHSA-N 0 1 383.384 1.762 20 0 GDADMN C[C@H](CNC(=O)c1sccc1CN(C)C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575068626 951636511 /nfs/dbraw/zinc/63/65/11/951636511.db2.gz CLGDHBOMEWXVAP-LLVKDONJSA-N 0 1 386.485 1.615 20 0 GDADMN C[C@@H](CNC(=O)c1ocnc1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575069012 951639932 /nfs/dbraw/zinc/63/99/32/951639932.db2.gz FLYNHXZCDNNCAV-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575090963 951766845 /nfs/dbraw/zinc/76/68/45/951766845.db2.gz ONYABIQGPBCCEU-CJNGLKHVSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099774 951838593 /nfs/dbraw/zinc/83/85/93/951838593.db2.gz OKRGQMHRAWYLKJ-CHWSQXEVSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099774 951838600 /nfs/dbraw/zinc/83/86/00/951838600.db2.gz OKRGQMHRAWYLKJ-CHWSQXEVSA-N 0 1 378.502 1.729 20 0 GDADMN CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3cccc(C(=O)[O-])n3)CC2)C1 ZINC001602886518 971780229 /nfs/dbraw/zinc/78/02/29/971780229.db2.gz VEXPTNRJWCQYLQ-CQSZACIVSA-N 0 1 376.457 1.911 20 0 GDADMN C[C@H](CNC(=O)c1conc1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101067 951853930 /nfs/dbraw/zinc/85/39/30/951853930.db2.gz YWKMMPNNZDUYNP-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)c1conc1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101067 951853937 /nfs/dbraw/zinc/85/39/37/951853937.db2.gz YWKMMPNNZDUYNP-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccnc(C(=O)[O-])c2)CC1 ZINC001602888427 971785230 /nfs/dbraw/zinc/78/52/30/971785230.db2.gz GMRILZQUAQRDSX-UHFFFAOYSA-N 0 1 378.429 1.661 20 0 GDADMN C[C@](CNc1ccc(-c2nn[nH]n2)nc1)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001575125079 952038064 /nfs/dbraw/zinc/03/80/64/952038064.db2.gz MDJDLKQVDIWMCY-GOSISDBHSA-N 0 1 381.444 1.314 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575134520 952112665 /nfs/dbraw/zinc/11/26/65/952112665.db2.gz IUFITPIFRPEFOZ-UGSOOPFHSA-N 0 1 382.472 1.356 20 0 GDADMN C[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575141507 952144705 /nfs/dbraw/zinc/14/47/05/952144705.db2.gz HPTOGGAJTJNJPR-ZIAGYGMSSA-N 0 1 380.456 1.216 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575144022 952160888 /nfs/dbraw/zinc/16/08/88/952160888.db2.gz TUZAKOIPVYXNST-MRXNPFEDSA-N 0 1 388.432 1.290 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575144289 952164463 /nfs/dbraw/zinc/16/44/63/952164463.db2.gz HOVBBJWKUNEVOS-IIBYNOLFSA-N 0 1 389.463 1.720 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575144848 952172299 /nfs/dbraw/zinc/17/22/99/952172299.db2.gz MUYZJHXGPCUWGF-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccccc1C1CCC1 ZINC001575144850 952174222 /nfs/dbraw/zinc/17/42/22/952174222.db2.gz MVBQFDVYNKSDPM-CYBMUJFWSA-N 0 1 392.467 1.919 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575145002 952175100 /nfs/dbraw/zinc/17/51/00/952175100.db2.gz OAUJKUTZWSZLOG-QGZVFWFLSA-N 0 1 386.847 1.676 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2ccncc2c1 ZINC001575145520 952185481 /nfs/dbraw/zinc/18/54/81/952185481.db2.gz ZCSPMYIPSWZXFN-LBPRGKRZSA-N 0 1 389.423 1.199 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575145621 952187768 /nfs/dbraw/zinc/18/77/68/952187768.db2.gz BGJSIMPIXMSJDM-LLVKDONJSA-N 0 1 383.460 1.277 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575146068 952191536 /nfs/dbraw/zinc/19/15/36/952191536.db2.gz HGYADOIPIVNUAR-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(F)c(F)cc1F ZINC001575146443 952193949 /nfs/dbraw/zinc/19/39/49/952193949.db2.gz LCYWPMPVVOBMOI-VIFPVBQESA-N 0 1 391.357 1.674 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575147718 952200816 /nfs/dbraw/zinc/20/08/16/952200816.db2.gz UYNVAZWFCFGUPZ-LBPRGKRZSA-N 0 1 383.460 1.208 20 0 GDADMN Cc1cc(NC[C@@H]2CCN(C(=O)C(C)(C)F)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571118010 952486049 /nfs/dbraw/zinc/48/60/49/952486049.db2.gz RVCAOGBORHDOEI-AAEUAGOBSA-N 0 1 375.452 1.637 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001575197771 952487328 /nfs/dbraw/zinc/48/73/28/952487328.db2.gz ZOOZDPIBQUGQJB-ZDUSSCGKSA-N 0 1 381.440 1.819 20 0 GDADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571120706 952506335 /nfs/dbraw/zinc/50/63/35/952506335.db2.gz OLOCEAILPDHEHB-AWEZNQCLSA-N 0 1 375.502 1.103 20 0 GDADMN CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571120706 952506342 /nfs/dbraw/zinc/50/63/42/952506342.db2.gz OLOCEAILPDHEHB-AWEZNQCLSA-N 0 1 375.502 1.103 20 0 GDADMN O=C(NC[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCC(F)(F)C1 ZINC001571121292 952519672 /nfs/dbraw/zinc/51/96/72/952519672.db2.gz XUHAQLGUMZATGU-GXTWGEPZSA-N 0 1 376.411 1.993 20 0 GDADMN O=C([C@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571122783 952526521 /nfs/dbraw/zinc/52/65/21/952526521.db2.gz LDDXWGLHBPOJAU-OLZOCXBDSA-N 0 1 376.486 1.293 20 0 GDADMN O=C([C@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571122783 952526526 /nfs/dbraw/zinc/52/65/26/952526526.db2.gz LDDXWGLHBPOJAU-OLZOCXBDSA-N 0 1 376.486 1.293 20 0 GDADMN CO[C@@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)C ZINC001571124001 952533345 /nfs/dbraw/zinc/53/33/45/952533345.db2.gz XASYVTJKMULTRX-GDBMZVCRSA-N 0 1 376.436 1.367 20 0 GDADMN Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)C3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124290 952536584 /nfs/dbraw/zinc/53/65/84/952536584.db2.gz DTUYCUYTWSQFOL-CMPLNLGQSA-N 0 1 377.399 1.439 20 0 GDADMN Cc1cc(NCCc2ccc(CNC(=O)C3CC3)cc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571128047 952561679 /nfs/dbraw/zinc/56/16/79/952561679.db2.gz OAKOAGWWVSBGRL-UHFFFAOYSA-N 0 1 377.452 1.673 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575214412 952563572 /nfs/dbraw/zinc/56/35/72/952563572.db2.gz KPHVDAFZALDPPA-UHFFFAOYSA-N 0 1 379.415 1.672 20 0 GDADMN Cc1cc(NC[C@H]2C[C@H](NC(=O)C3C=CC=CC=C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571128912 952572264 /nfs/dbraw/zinc/57/22/64/952572264.db2.gz YLSBMTZHTPBQMD-KOMQPUFPSA-N 0 1 377.452 1.597 20 0 GDADMN CCc1ccc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571134599 952592745 /nfs/dbraw/zinc/59/27/45/952592745.db2.gz HNGKUJNDBYHVRY-CQSZACIVSA-N 0 1 378.440 1.475 20 0 GDADMN Cc1ccccc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135031 952598454 /nfs/dbraw/zinc/59/84/54/952598454.db2.gz QKBISKQRTZZEHE-KGLIPLIRSA-N 0 1 378.440 1.207 20 0 GDADMN CCCc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571135192 952600980 /nfs/dbraw/zinc/60/09/80/952600980.db2.gz QWPYRFCNGYIZNU-HNNXBMFYSA-N 0 1 378.440 1.358 20 0 GDADMN O=S(=O)(c1ccsc1-c1nn[nH]n1)N1CCOc2ccc(O)cc2C1 ZINC001571142085 952638659 /nfs/dbraw/zinc/63/86/59/952638659.db2.gz PAPNBOJRJUGCRD-UHFFFAOYSA-N 0 1 379.423 1.217 20 0 GDADMN CC[C@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571142301 952640005 /nfs/dbraw/zinc/64/00/05/952640005.db2.gz OOFMTPORKBMWDZ-OCCSQVGLSA-N 0 1 378.502 1.824 20 0 GDADMN CC[C@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571142301 952640007 /nfs/dbraw/zinc/64/00/07/952640007.db2.gz OOFMTPORKBMWDZ-OCCSQVGLSA-N 0 1 378.502 1.824 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1ncoc1C1CC1 ZINC001571146915 952654057 /nfs/dbraw/zinc/65/40/57/952654057.db2.gz CUZKHKBIRUAIIU-HNNXBMFYSA-N 0 1 379.424 1.736 20 0 GDADMN O=C(c1ccn[nH]1)N1C[C@@H]2CCC[C@]2(CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571147261 952658921 /nfs/dbraw/zinc/65/89/21/952658921.db2.gz VYLHJVKZEKFTPJ-SGTLLEGYSA-N 0 1 379.428 1.339 20 0 GDADMN O=C(c1ccn[nH]1)N1CCC[C@H](Nc2snc(Cl)c2-c2nn[nH]n2)C1 ZINC001571152266 952682267 /nfs/dbraw/zinc/68/22/67/952682267.db2.gz GNMJREDPWXCUGA-ZETCQYMHSA-N 0 1 379.837 1.416 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)c3cnccn3)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156570 952701957 /nfs/dbraw/zinc/70/19/57/952701957.db2.gz DLTRFMVEHNBCNF-CHWSQXEVSA-N 0 1 379.428 1.147 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)ccn1 ZINC001571156824 952706063 /nfs/dbraw/zinc/70/60/63/952706063.db2.gz KRSORTYIWUTWMG-OCCSQVGLSA-N 0 1 379.428 1.147 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)CC2)cnn1 ZINC001571158938 952716420 /nfs/dbraw/zinc/71/64/20/952716420.db2.gz UYOCMZKIIQDLLL-AWEZNQCLSA-N 0 1 379.428 1.149 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571159488 952719412 /nfs/dbraw/zinc/71/94/12/952719412.db2.gz WGXRGNFLGLVPCY-JSGCOSHPSA-N 0 1 380.412 1.299 20 0 GDADMN Cc1ccc(C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)cc1-c1nn[nH]n1 ZINC001571165676 952753640 /nfs/dbraw/zinc/75/36/40/952753640.db2.gz HLGLNXKVWPZABV-KRWDZBQOSA-N 0 1 380.427 1.971 20 0 GDADMN C[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1NC(=O)c1cocn1 ZINC001571171510 952793576 /nfs/dbraw/zinc/79/35/76/952793576.db2.gz AYMFCTHGTSFCIH-RNFRBKRXSA-N 0 1 380.821 1.219 20 0 GDADMN Cc1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571179210 952850426 /nfs/dbraw/zinc/85/04/26/952850426.db2.gz ACNFPWSCRXGOAQ-APPDUMDISA-N 0 1 381.440 1.395 20 0 GDADMN Cc1ccoc1CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571180107 952857373 /nfs/dbraw/zinc/85/73/73/952857373.db2.gz LOLPHNXECJWMST-CQSZACIVSA-N 0 1 381.440 1.751 20 0 GDADMN Cc1nocc1C(=O)N[C@@H]1CC[C@H](C)N(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571180460 952860489 /nfs/dbraw/zinc/86/04/89/952860489.db2.gz OUIQJIABSRIWGN-BLLLJJGKSA-N 0 1 381.440 1.946 20 0 GDADMN CC(C)c1[nH]ccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571180959 952861993 /nfs/dbraw/zinc/86/19/93/952861993.db2.gz RULTVKSCLBELDV-LBPRGKRZSA-N 0 1 381.444 1.507 20 0 GDADMN COc1cccc(CN2CCC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571182882 952870595 /nfs/dbraw/zinc/87/05/95/952870595.db2.gz IJYSJNGFZRRYOB-AWEZNQCLSA-N 0 1 381.440 1.598 20 0 GDADMN CCCc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[nH]n3)nc2)n[nH]1 ZINC001571184231 952889706 /nfs/dbraw/zinc/88/97/06/952889706.db2.gz UJLLQEFKFCSREO-CQSZACIVSA-N 0 1 381.444 1.654 20 0 GDADMN Cc1c[nH]cc1C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571184609 952894804 /nfs/dbraw/zinc/89/48/04/952894804.db2.gz AZXDBXHZBMUEGS-UHFFFAOYSA-N 0 1 381.444 1.210 20 0 GDADMN CCn1cccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571185011 952898232 /nfs/dbraw/zinc/89/82/32/952898232.db2.gz GSFXHGSKYCEWMH-CHWSQXEVSA-N 0 1 381.444 1.265 20 0 GDADMN Cc1cc(N2CCN(C(=O)c3ccnn3C(C)C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188840 952920300 /nfs/dbraw/zinc/92/03/00/952920300.db2.gz NTOTYWLNVNGXQL-UHFFFAOYSA-N 0 1 381.444 1.310 20 0 GDADMN Cc1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)ccc1F ZINC001571196515 952982647 /nfs/dbraw/zinc/98/26/47/952982647.db2.gz LRPLBRFKSDWXQB-FZMZJTMJSA-N 0 1 382.403 1.099 20 0 GDADMN CCCc1nc(C)c(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571199769 953003859 /nfs/dbraw/zinc/00/38/59/953003859.db2.gz BOQUJRVFNJSNNA-HAQNSBGRSA-N 0 1 382.428 1.305 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[nH]n3)n2)c(C)o1 ZINC001571201027 953014205 /nfs/dbraw/zinc/01/42/05/953014205.db2.gz IEWGGUMLEWMMBF-ZDUSSCGKSA-N 0 1 382.428 1.608 20 0 GDADMN Cc1nc(C(=O)NC2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)co1 ZINC001571202268 953023875 /nfs/dbraw/zinc/02/38/75/953023875.db2.gz SINBVKDPOIHLQK-UHFFFAOYSA-N 0 1 382.428 1.655 20 0 GDADMN Cc1cc(CCC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C)no1 ZINC001571202532 953026552 /nfs/dbraw/zinc/02/65/52/953026552.db2.gz UPAHBRACAQGKAC-SWLSCSKDSA-N 0 1 382.428 1.014 20 0 GDADMN Cc1nc(C)c(C(=O)NCC2CC(Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571202820 953028733 /nfs/dbraw/zinc/02/87/33/953028733.db2.gz ZJRNBNWLNNFDOR-UHFFFAOYSA-N 0 1 382.428 1.217 20 0 GDADMN Cc1oncc1CN1CC[C@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001571205109 953036466 /nfs/dbraw/zinc/03/64/66/953036466.db2.gz GOPKEXGKOJTRLX-SFHVURJKSA-N 0 1 382.428 1.229 20 0 GDADMN Cc1ocnc1C(=O)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571206357 953050100 /nfs/dbraw/zinc/05/01/00/953050100.db2.gz ORNUWZJHCFMICO-UHFFFAOYSA-N 0 1 382.428 1.334 20 0 GDADMN Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsn2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571209670 953065752 /nfs/dbraw/zinc/06/57/52/953065752.db2.gz ARRMLAZNLUSBMS-HONMWMINSA-N 0 1 382.453 1.566 20 0 GDADMN O=C(c1sccc1C1CC1)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571209697 953065846 /nfs/dbraw/zinc/06/58/46/953065846.db2.gz BGTAFEQHDAJMNB-UHFFFAOYSA-N 0 1 382.453 1.558 20 0 GDADMN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571211514 953077728 /nfs/dbraw/zinc/07/77/28/953077728.db2.gz AHXHLLPVORBBBH-KURKYZTESA-N 0 1 382.468 1.469 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)C1 ZINC001571214443 953101529 /nfs/dbraw/zinc/10/15/29/953101529.db2.gz YRFVLZRWELMASS-YUTCNCBUSA-N 0 1 382.472 1.566 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC2(CCC2)C1 ZINC001571218462 953114820 /nfs/dbraw/zinc/11/48/20/953114820.db2.gz OQQYPKWHQPSXHK-TZMCWYRMSA-N 0 1 382.472 1.356 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571219573 953126799 /nfs/dbraw/zinc/12/67/99/953126799.db2.gz ZPBYRUNRFVNOKW-MGPQQGTHSA-N 0 1 382.472 1.356 20 0 GDADMN Cc1cc(N2C[C@@H]3CCCN(C(=O)[C@H]4CCOC4)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233120 953190556 /nfs/dbraw/zinc/19/05/56/953190556.db2.gz PAHXBTOMXIXZPF-GRDNDAEWSA-N 0 1 383.456 1.034 20 0 GDADMN Cc1ncccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571233841 953196123 /nfs/dbraw/zinc/19/61/23/953196123.db2.gz FWOJHTOXDHNNBL-ZDUSSCGKSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1ncccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571233841 953196124 /nfs/dbraw/zinc/19/61/24/953196124.db2.gz FWOJHTOXDHNNBL-ZDUSSCGKSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1ncccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571233841 953196127 /nfs/dbraw/zinc/19/61/27/953196127.db2.gz FWOJHTOXDHNNBL-ZDUSSCGKSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1ncccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571233841 953196129 /nfs/dbraw/zinc/19/61/29/953196129.db2.gz FWOJHTOXDHNNBL-ZDUSSCGKSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1ccc(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001571234240 953199800 /nfs/dbraw/zinc/19/98/00/953199800.db2.gz QOCPYUWCRUTDTC-AWEZNQCLSA-N 0 1 383.481 1.565 20 0 GDADMN Cc1ccc(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001571234240 953199803 /nfs/dbraw/zinc/19/98/03/953199803.db2.gz QOCPYUWCRUTDTC-AWEZNQCLSA-N 0 1 383.481 1.565 20 0 GDADMN O=C(C[C@@H]1CCCO1)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234647 953204843 /nfs/dbraw/zinc/20/48/43/953204843.db2.gz FGKAZJSNKWVECA-BDAKNGLRSA-N 0 1 383.865 1.559 20 0 GDADMN O=C(C[C@H]1CCCO1)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571235165 953209573 /nfs/dbraw/zinc/20/95/73/953209573.db2.gz VTLWSYDYROQVGG-RKDXNWHRSA-N 0 1 383.865 1.241 20 0 GDADMN COCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571235272 953210292 /nfs/dbraw/zinc/21/02/92/953210292.db2.gz YQEQOCCTDNMCOX-IUCAKERBSA-N 0 1 383.865 1.193 20 0 GDADMN Cc1cc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3F)CC2)n[nH]1 ZINC001571239144 953236672 /nfs/dbraw/zinc/23/66/72/953236672.db2.gz GGSAMJRGSLWCND-UHFFFAOYSA-N 0 1 384.419 1.385 20 0 GDADMN CC(C)c1ocnc1CN[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571242145 953254145 /nfs/dbraw/zinc/25/41/45/953254145.db2.gz BXMQMGILHDDJKZ-AULYBMBSSA-N 0 1 384.444 1.604 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@H]2C)nn1 ZINC001571244758 953266678 /nfs/dbraw/zinc/26/66/78/953266678.db2.gz HNISPRJEYQFOMY-YPMHNXCESA-N 0 1 384.469 1.419 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@H]2C)nn1 ZINC001571244758 953266679 /nfs/dbraw/zinc/26/66/79/953266679.db2.gz HNISPRJEYQFOMY-YPMHNXCESA-N 0 1 384.469 1.419 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cccs2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571244928 953268333 /nfs/dbraw/zinc/26/83/33/953268333.db2.gz AEHRFJRRPJIPPW-VXGBXAGGSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001571245169 953270423 /nfs/dbraw/zinc/27/04/23/953270423.db2.gz FANKBCHKXYPMGZ-RYUDHWBXSA-N 0 1 384.469 1.607 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571245363 953272886 /nfs/dbraw/zinc/27/28/86/953272886.db2.gz SBOHDSVZCCSJPI-GFCCVEGCSA-N 0 1 384.469 1.413 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cnn1 ZINC001571245417 953273325 /nfs/dbraw/zinc/27/33/25/953273325.db2.gz SLLRHGQBGKBAHN-GFCCVEGCSA-N 0 1 384.469 1.279 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cnn1 ZINC001571245417 953273328 /nfs/dbraw/zinc/27/33/28/953273328.db2.gz SLLRHGQBGKBAHN-GFCCVEGCSA-N 0 1 384.469 1.279 20 0 GDADMN COc1cccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571246242 953282003 /nfs/dbraw/zinc/28/20/03/953282003.db2.gz WUSYHXAWWPXMEN-ZDUSSCGKSA-N 0 1 384.465 1.941 20 0 GDADMN COc1cccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571246242 953282004 /nfs/dbraw/zinc/28/20/04/953282004.db2.gz WUSYHXAWWPXMEN-ZDUSSCGKSA-N 0 1 384.465 1.941 20 0 GDADMN Cc1ccoc1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571246374 953282618 /nfs/dbraw/zinc/28/26/18/953282618.db2.gz ZKTFQSZGWMJGQY-LAQFHYBYSA-N 0 1 384.465 1.619 20 0 GDADMN Cc1ccoc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571246374 953282623 /nfs/dbraw/zinc/28/26/23/953282623.db2.gz ZKTFQSZGWMJGQY-LAQFHYBYSA-N 0 1 384.465 1.619 20 0 GDADMN CN(C[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCCOCC1 ZINC001571247740 953285040 /nfs/dbraw/zinc/28/50/40/953285040.db2.gz DBBVKLXMDZYJKB-DOTOQJQBSA-N 0 1 384.484 1.716 20 0 GDADMN O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cncnc1 ZINC001571247758 953286238 /nfs/dbraw/zinc/28/62/38/953286238.db2.gz DIAQMOAYKXGMFS-OLZOCXBDSA-N 0 1 384.469 1.549 20 0 GDADMN O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cncnc1 ZINC001571247758 953286240 /nfs/dbraw/zinc/28/62/40/953286240.db2.gz DIAQMOAYKXGMFS-OLZOCXBDSA-N 0 1 384.469 1.549 20 0 GDADMN COC1CCC(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571247908 953287349 /nfs/dbraw/zinc/28/73/49/953287349.db2.gz ICAGNHNWOYEMNU-UHFFFAOYSA-N 0 1 384.484 1.620 20 0 GDADMN O=C(Cc1cscn1)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571248392 953292953 /nfs/dbraw/zinc/29/29/53/953292953.db2.gz SEXGBDOFNLBCJC-ZDUSSCGKSA-N 0 1 384.469 1.176 20 0 GDADMN O=C(Cc1ccsc1)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571248749 953296901 /nfs/dbraw/zinc/29/69/01/953296901.db2.gz ZDKYBRNZKBETQF-DGCLKSJQSA-N 0 1 384.469 1.080 20 0 GDADMN CC1(C)CC(CC(=O)N[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)C1 ZINC001571249110 953300068 /nfs/dbraw/zinc/30/00/68/953300068.db2.gz DHPCGALCNUXDBH-ZDUSSCGKSA-N 0 1 384.488 1.814 20 0 GDADMN CC1(C)CC[C@H]1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249392 953304765 /nfs/dbraw/zinc/30/47/65/953304765.db2.gz ICZAOTRZFGJMAJ-KBPBESRZSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571249454 953305132 /nfs/dbraw/zinc/30/51/32/953305132.db2.gz JGLPLWYTFKIHRE-KGLIPLIRSA-N 0 1 384.488 1.910 20 0 GDADMN CC1(C)CC(CC(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571249680 953307144 /nfs/dbraw/zinc/30/71/44/953307144.db2.gz KJBXZVDQTKAWMC-OCCSQVGLSA-N 0 1 384.488 1.602 20 0 GDADMN CC[C@H]1CCC[C@@]1(C)C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571250274 953310179 /nfs/dbraw/zinc/31/01/79/953310179.db2.gz PVHLLBLHAYVSAH-ORAYPTAESA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)CCC(C)CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571250650 953312575 /nfs/dbraw/zinc/31/25/75/953312575.db2.gz RRQKYORWUWYZNQ-IXVUQVCVSA-N 0 1 384.488 1.554 20 0 GDADMN O=C(NCC1CN(CCOc2cccc(F)c2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571254299 953337942 /nfs/dbraw/zinc/33/79/42/953337942.db2.gz FMHQUJULRGZVCQ-UHFFFAOYSA-N 0 1 385.403 1.075 20 0 GDADMN O=C([O-])C1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CCOCC1 ZINC001594743047 953373008 /nfs/dbraw/zinc/37/30/08/953373008.db2.gz PLUYQWIJUXTPQT-KRWDZBQOSA-N 0 1 376.453 1.182 20 0 GDADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC001589278904 953476761 /nfs/dbraw/zinc/47/67/61/953476761.db2.gz JORAALQNHJSCPM-MAUKXSAKSA-N 0 1 387.480 1.468 20 0 GDADMN C[N@@H+](CCCC(=O)[O-])CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000430665694 953500652 /nfs/dbraw/zinc/50/06/52/953500652.db2.gz YAYDBDHOASIHIW-UHFFFAOYSA-N 0 1 379.482 1.611 20 0 GDADMN COc1ccc(CN2CCN(C(=O)C[N@H+]3C[C@H](C(=O)[O-])CC[C@@H]3C)CC2)cc1 ZINC000517370498 953545890 /nfs/dbraw/zinc/54/58/90/953545890.db2.gz KYAFUXJVDDCYMX-FUHWJXTLSA-N 0 1 389.496 1.525 20 0 GDADMN C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CC[N@H+]1C ZINC001589289695 953590257 /nfs/dbraw/zinc/59/02/57/953590257.db2.gz LYJJQPPPVGRQQZ-BIENJYKASA-N 0 1 399.488 1.018 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC001589293882 953625742 /nfs/dbraw/zinc/62/57/42/953625742.db2.gz SLFDKAVPSNCADE-ZBFHGGJFSA-N 0 1 394.493 1.045 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[N@H+]1Cc1ccccc1 ZINC001589293882 953625750 /nfs/dbraw/zinc/62/57/50/953625750.db2.gz SLFDKAVPSNCADE-ZBFHGGJFSA-N 0 1 394.493 1.045 20 0 GDADMN COc1cc(CNC(=O)C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(OC)c1OC ZINC000567856494 953636739 /nfs/dbraw/zinc/63/67/39/953636739.db2.gz LIBYDGGDUSZAAI-GXTWGEPZSA-N 0 1 380.441 1.514 20 0 GDADMN COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000571560976 953663890 /nfs/dbraw/zinc/66/38/90/953663890.db2.gz JQWSNBHOAFJZOQ-ZIAGYGMSSA-N 0 1 377.441 1.277 20 0 GDADMN C[C@@H]1C[C@H]2CC[C@H](C(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)[O-])C[N@H+]2C1 ZINC001589298492 953668183 /nfs/dbraw/zinc/66/81/83/953668183.db2.gz ACHZRPONFNYSII-SPUZQDLCSA-N 0 1 388.464 1.810 20 0 GDADMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000583812070 953731034 /nfs/dbraw/zinc/73/10/34/953731034.db2.gz PDDIGUMAAYVKQU-NEPJUHHUSA-N 0 1 377.397 1.291 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)C2 ZINC001594810331 953810575 /nfs/dbraw/zinc/81/05/75/953810575.db2.gz MQCKKUYXMYAUCX-KXBFYZLASA-N 0 1 391.493 1.800 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000635021357 953875237 /nfs/dbraw/zinc/87/52/37/953875237.db2.gz ZURQCNUBKTUDQQ-MRXNPFEDSA-N 0 1 392.349 1.884 20 0 GDADMN C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001589336866 953999507 /nfs/dbraw/zinc/99/95/07/953999507.db2.gz HPTCZCZXKMCCGJ-HUUCEWRRSA-N 0 1 383.489 1.498 20 0 GDADMN C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000650498181 954013509 /nfs/dbraw/zinc/01/35/09/954013509.db2.gz JIONTBWUXXPUDJ-OLZOCXBDSA-N 0 1 377.416 1.550 20 0 GDADMN C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000650499594 954016787 /nfs/dbraw/zinc/01/67/87/954016787.db2.gz WXHRZMFNEXZUSR-BFYDXBDKSA-N 0 1 379.501 1.421 20 0 GDADMN CC[C@H](C(=O)[O-])N(C)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000650517434 954026413 /nfs/dbraw/zinc/02/64/13/954026413.db2.gz LJNRCPWVECWVOC-GOSISDBHSA-N 0 1 377.485 1.525 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)[C@]3(C(=O)[O-])CCCO3)C2)O1 ZINC001589401801 954434792 /nfs/dbraw/zinc/43/47/92/954434792.db2.gz OYAWQKZNOSVMNM-CZAAIQMYSA-N 0 1 388.464 1.512 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)[C@]3(C(=O)[O-])CCCO3)C2)O1 ZINC001589401801 954434800 /nfs/dbraw/zinc/43/48/00/954434800.db2.gz OYAWQKZNOSVMNM-CZAAIQMYSA-N 0 1 388.464 1.512 20 0 GDADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001594895324 954560813 /nfs/dbraw/zinc/56/08/13/954560813.db2.gz FHXJGAGALWMQGA-NFFDBFGFSA-N 0 1 394.390 1.311 20 0 GDADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001594895324 954560823 /nfs/dbraw/zinc/56/08/23/954560823.db2.gz FHXJGAGALWMQGA-NFFDBFGFSA-N 0 1 394.390 1.311 20 0 GDADMN O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)C1 ZINC001594898332 954591388 /nfs/dbraw/zinc/59/13/88/954591388.db2.gz JQHVOJDQYOVTAY-IUODEOHRSA-N 0 1 379.482 1.892 20 0 GDADMN O=C([O-])C1CCC(O)(C[N@H+]2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CC1 ZINC001594911737 954712440 /nfs/dbraw/zinc/71/24/40/954712440.db2.gz DTBRXWBVOLUQOM-NREAYKGKSA-N 0 1 399.431 1.434 20 0 GDADMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+]3C[C@@]4(CO)CCCC[C@@]4(CO)C3)o2)C1 ZINC001594913849 954721353 /nfs/dbraw/zinc/72/13/53/954721353.db2.gz BVSAAVIBTWTPHW-ORYQWCPZSA-N 0 1 392.496 1.928 20 0 GDADMN COC(=O)[C@@]1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001593813884 954978225 /nfs/dbraw/zinc/97/82/25/954978225.db2.gz JCVCSOXURYWUBJ-CSODHUTKSA-N 0 1 388.464 1.811 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](C[C@@H]1CN(c3ccccc3)C(=O)O1)C[C@H]2C(=O)[O-] ZINC001593823977 955072161 /nfs/dbraw/zinc/07/21/61/955072161.db2.gz HXOLERMBFUDMDD-KRSSAMQESA-N 0 1 388.420 1.598 20 0 GDADMN CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1 ZINC001603021379 972080029 /nfs/dbraw/zinc/08/00/29/972080029.db2.gz DEJNHLMZJNXQLI-DOTOQJQBSA-N 0 1 381.517 1.430 20 0 GDADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CCC1 ZINC000386870396 972087092 /nfs/dbraw/zinc/08/70/92/972087092.db2.gz KSVAWOFQQGKVOU-QGZVFWFLSA-N 0 1 375.469 1.926 20 0 GDADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCC(=O)N3CCc4ccccc4C3)C2)cn1 ZINC001594535089 955564301 /nfs/dbraw/zinc/56/43/01/955564301.db2.gz IOGAVYKWZXKJJS-RTBURBONSA-N 0 1 396.491 1.885 20 0 GDADMN Cn1ncc(C(=O)[O-])c1C[NH2+]Cc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001594583109 955989790 /nfs/dbraw/zinc/98/97/90/955989790.db2.gz KOUVCFXXUSWYKZ-UHFFFAOYSA-N 0 1 377.344 1.702 20 0 GDADMN CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1 ZINC000873644869 956085153 /nfs/dbraw/zinc/08/51/53/956085153.db2.gz ROHUOUYDBXABFS-CABCVRRESA-N 0 1 386.452 1.948 20 0 GDADMN CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1 ZINC000873644869 956085165 /nfs/dbraw/zinc/08/51/65/956085165.db2.gz ROHUOUYDBXABFS-CABCVRRESA-N 0 1 386.452 1.948 20 0 GDADMN NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c2)C1 ZINC001594640117 956412210 /nfs/dbraw/zinc/41/22/10/956412210.db2.gz CEAKFQBWMOUBJM-BRWVUGGUSA-N 0 1 388.468 1.046 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000901924719 956546874 /nfs/dbraw/zinc/54/68/74/956546874.db2.gz HRFLEUJDBKIFQD-DSLXNQLJSA-N 0 1 390.480 1.662 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000901924719 956546882 /nfs/dbraw/zinc/54/68/82/956546882.db2.gz HRFLEUJDBKIFQD-DSLXNQLJSA-N 0 1 390.480 1.662 20 0 GDADMN O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001594684881 956706097 /nfs/dbraw/zinc/70/60/97/956706097.db2.gz IQZIVVSYWGQZSX-IAGOWNOFSA-N 0 1 389.452 1.074 20 0 GDADMN COC(=O)C1CC2(C1)C[N@H+]([C@H](C)c1cn(-c3ccccc3)nn1)C[C@@H]2C(=O)[O-] ZINC000903415402 956844123 /nfs/dbraw/zinc/84/41/23/956844123.db2.gz JNTIQMDXQNVITF-HPUUMLKRSA-N 0 1 384.436 1.914 20 0 GDADMN O=C([O-])COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000911420770 957066614 /nfs/dbraw/zinc/06/66/14/957066614.db2.gz DKWWBGBDAIFRMU-QUCCMNQESA-N 0 1 398.459 1.763 20 0 GDADMN CN(CCCC(=O)[O-])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001263061315 957280977 /nfs/dbraw/zinc/28/09/77/957280977.db2.gz MRDANGLBYXOXFE-UHFFFAOYSA-N 0 1 376.457 1.080 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001329146332 957689865 /nfs/dbraw/zinc/68/98/65/957689865.db2.gz AARAJNIMWMIZQN-MFKMUULPSA-N 0 1 376.392 1.091 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001329146332 957689874 /nfs/dbraw/zinc/68/98/74/957689874.db2.gz AARAJNIMWMIZQN-MFKMUULPSA-N 0 1 376.392 1.091 20 0 GDADMN Cc1cccn2c(=O)cc(C[N@H+]3C[C@@H](c4cnn(C)c4)C[C@H](C(=O)[O-])C3)nc12 ZINC001330183590 957718008 /nfs/dbraw/zinc/71/80/08/957718008.db2.gz UWYVORNQKLEXLH-GJZGRUSLSA-N 0 1 381.436 1.427 20 0 GDADMN C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[C@@H]1C(=O)[O-] ZINC001331718090 957731847 /nfs/dbraw/zinc/73/18/47/957731847.db2.gz QGBIDYNFKDFKLU-OLMNPRSZSA-N 0 1 375.469 1.505 20 0 GDADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N(C)CCCC(=O)[O-])C2)cc(OC)c1 ZINC001339716161 957870606 /nfs/dbraw/zinc/87/06/06/957870606.db2.gz SYNCBBZVXZUGFM-OAHLLOKOSA-N 0 1 379.457 1.784 20 0 GDADMN COc1cc(C[N@H+]2CC[C@@H](NC(=O)N(C)CCCC(=O)[O-])C2)cc(OC)c1 ZINC001339716161 957870612 /nfs/dbraw/zinc/87/06/12/957870612.db2.gz SYNCBBZVXZUGFM-OAHLLOKOSA-N 0 1 379.457 1.784 20 0 GDADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@]3(C(=O)[O-])CCCO3)C2)cc(OC)c1 ZINC001594056234 958038049 /nfs/dbraw/zinc/03/80/49/958038049.db2.gz KOOATLPCKVVCHX-AUUYWEPGSA-N 0 1 378.425 1.028 20 0 GDADMN COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@]3(C(=O)[O-])CCCO3)C2)cc(OC)c1 ZINC001594056234 958038067 /nfs/dbraw/zinc/03/80/67/958038067.db2.gz KOOATLPCKVVCHX-AUUYWEPGSA-N 0 1 378.425 1.028 20 0 GDADMN COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@]3(C(=O)[O-])CCCO3)C2)cc(OC)c1 ZINC001594056237 958038471 /nfs/dbraw/zinc/03/84/71/958038471.db2.gz KOOATLPCKVVCHX-LIRRHRJNSA-N 0 1 378.425 1.028 20 0 GDADMN COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@]3(C(=O)[O-])CCCO3)C2)cc(OC)c1 ZINC001594056237 958038485 /nfs/dbraw/zinc/03/84/85/958038485.db2.gz KOOATLPCKVVCHX-LIRRHRJNSA-N 0 1 378.425 1.028 20 0 GDADMN 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C[C@H](CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)N1CCC(C)CC1 ZINC000736275297 598871833 /nfs/dbraw/zinc/87/18/33/598871833.db2.gz BNIZHYQTAGKZMD-GFCCVEGCSA-N 0 1 382.465 1.405 20 0 GDADMN CC(C)(C)C(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735586969 598894279 /nfs/dbraw/zinc/89/42/79/598894279.db2.gz OFGRRMVTTVMMDS-UHFFFAOYSA-N 0 1 399.411 1.379 20 0 GDADMN CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1-c1nn[n-]n1 ZINC000737188756 598911375 /nfs/dbraw/zinc/91/13/75/598911375.db2.gz GJGIAYOVDPUJQD-NSHDSACASA-N 0 1 387.513 1.885 20 0 GDADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2C)cs1 ZINC000821668196 607255179 /nfs/dbraw/zinc/25/51/79/607255179.db2.gz UUGHTYZMKNYQES-UHFFFAOYSA-N 0 1 379.423 1.824 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC[C@H](c2nnc(C)o2)C1 ZINC000737033410 598984638 /nfs/dbraw/zinc/98/46/38/598984638.db2.gz VJRALOUSTBFLFY-AWEZNQCLSA-N 0 1 385.428 1.825 20 0 GDADMN C[S@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC000737171481 599018518 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CSCCC[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737181220 599124391 /nfs/dbraw/zinc/12/43/91/599124391.db2.gz HMNBLYFGTWIFHO-UHFFFAOYSA-N 0 1 375.458 1.990 20 0 GDADMN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000738163629 599148582 /nfs/dbraw/zinc/14/85/82/599148582.db2.gz RLQORGDBMKXIBP-CABCVRRESA-N 0 1 375.408 1.069 20 0 GDADMN NC(=O)[C@H](N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730778 599181750 /nfs/dbraw/zinc/18/17/50/599181750.db2.gz LGDXPLKKZBALRE-SJLPKXTDSA-N 0 1 395.442 1.791 20 0 GDADMN COC(=O)c1cc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)[O-])CC2)cc(C(=O)OC)c1 ZINC000739779610 596919990 /nfs/dbraw/zinc/91/99/90/596919990.db2.gz CKDUYMDMKAFSHP-NSHDSACASA-N 0 1 392.408 1.383 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000737201747 599228000 /nfs/dbraw/zinc/22/80/00/599228000.db2.gz VKBSLZYKESQJQG-SWLSCSKDSA-N 0 1 399.499 1.602 20 0 GDADMN 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CCOc1ccc(N2C[C@H](C(=O)N=c3cc[nH]cc3-c3nn[nH]n3)CC2=O)cc1 ZINC000736645584 599251277 /nfs/dbraw/zinc/25/12/77/599251277.db2.gz BBXSXBXOPYVVRW-GFCCVEGCSA-N 0 1 393.407 1.074 20 0 GDADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000819521623 597454806 /nfs/dbraw/zinc/45/48/06/597454806.db2.gz RQIOFXOPUXOMIF-HZPDHXFCSA-N 0 1 376.409 1.510 20 0 GDADMN CC(C)Cn1nc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])c2ccccc2c1=O ZINC000817906617 597455551 /nfs/dbraw/zinc/45/55/51/597455551.db2.gz TVRLCHVLVLGZAW-AWEZNQCLSA-N 0 1 387.436 1.758 20 0 GDADMN CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000643437890 597515585 /nfs/dbraw/zinc/51/55/85/597515585.db2.gz IQHTVWZAINFYBU-INIZCTEOSA-N 0 1 384.436 1.875 20 0 GDADMN NC(=O)c1ccc(N2CCN(CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737759046 599272139 /nfs/dbraw/zinc/27/21/39/599272139.db2.gz FRABCQHNMDHALG-UHFFFAOYSA-N 0 1 393.451 1.167 20 0 GDADMN Cn1cc([C@H]2CCN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cn1 ZINC000737605304 599289637 /nfs/dbraw/zinc/28/96/37/599289637.db2.gz MDBAYAIFVRTYBD-AWEZNQCLSA-N 0 1 377.412 1.640 20 0 GDADMN CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735462408 599290677 /nfs/dbraw/zinc/29/06/77/599290677.db2.gz XWNLXSKGTMJOGH-INIZCTEOSA-N 0 1 382.428 1.181 20 0 GDADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000823791588 607345503 /nfs/dbraw/zinc/34/55/03/607345503.db2.gz FQGVLEGYPXYOTG-HNNXBMFYSA-N 0 1 394.483 1.891 20 0 GDADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000823791588 607345505 /nfs/dbraw/zinc/34/55/05/607345505.db2.gz FQGVLEGYPXYOTG-HNNXBMFYSA-N 0 1 394.483 1.891 20 0 GDADMN C[C@](NCCC(=O)Nc1sccc1-c1nn[nH]n1)(C(N)=O)c1ccccc1 ZINC000736133657 598249505 /nfs/dbraw/zinc/24/95/05/598249505.db2.gz IPZBDGYCXSPYFL-QGZVFWFLSA-N 0 1 385.453 1.247 20 0 GDADMN C[C@H](CC[NH2+]Cc1cnc2c(-c3nnn[n-]3)cnn2c1)NC(=O)OC(C)(C)C ZINC000735987040 598285866 /nfs/dbraw/zinc/28/58/66/598285866.db2.gz QRHFFIGVNRMYLL-LLVKDONJSA-N 0 1 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1.924 20 0 GDADMN O=C([O-])Nc1ccccc1CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000834271867 606069574 /nfs/dbraw/zinc/06/95/74/606069574.db2.gz CDUGECRPYFSVFF-GOSISDBHSA-N 0 1 383.448 1.854 20 0 GDADMN CCCNC(=O)C1(NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CCCCC1 ZINC000821114616 606153707 /nfs/dbraw/zinc/15/37/07/606153707.db2.gz ZUSCQARIPBMCJG-UHFFFAOYSA-N 0 1 385.472 1.624 20 0 GDADMN CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)CC1 ZINC000820723100 606154869 /nfs/dbraw/zinc/15/48/69/606154869.db2.gz VZVRUBWIKIUGNJ-CQSZACIVSA-N 0 1 387.492 1.576 20 0 GDADMN CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)CC1 ZINC000820723100 606154870 /nfs/dbraw/zinc/15/48/70/606154870.db2.gz VZVRUBWIKIUGNJ-CQSZACIVSA-N 0 1 387.492 1.576 20 0 GDADMN C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820570624 606166588 /nfs/dbraw/zinc/16/65/88/606166588.db2.gz OQBNJCXZWLQWDE-OCCSQVGLSA-N 0 1 381.444 1.557 20 0 GDADMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820570624 606166589 /nfs/dbraw/zinc/16/65/89/606166589.db2.gz OQBNJCXZWLQWDE-OCCSQVGLSA-N 0 1 381.444 1.557 20 0 GDADMN O=C(OCCc1c[nH]nn1)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000823410372 606181258 /nfs/dbraw/zinc/18/12/58/606181258.db2.gz UTBUXYTVNQPTQO-UHFFFAOYSA-N 0 1 381.352 1.556 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000821766487 606204249 /nfs/dbraw/zinc/20/42/49/606204249.db2.gz XYKWVEONWKDSHP-UHFFFAOYSA-N 0 1 398.404 1.518 20 0 GDADMN COc1cc(OC)cc(N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000821723668 606225339 /nfs/dbraw/zinc/22/53/39/606225339.db2.gz HJACSUIKHXACNM-SFHVURJKSA-N 0 1 394.435 1.779 20 0 GDADMN O=C([C@@H]1C[C@@H]1C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000822917091 606277606 /nfs/dbraw/zinc/27/76/06/606277606.db2.gz NFHHQFXEGUMDJZ-CHWSQXEVSA-N 0 1 395.423 1.809 20 0 GDADMN Fc1cc(F)c(F)c(CNC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1F ZINC000822753302 606338422 /nfs/dbraw/zinc/33/84/22/606338422.db2.gz MGMWIADTCJRRIH-ZETCQYMHSA-N 0 1 382.325 1.451 20 0 GDADMN CC[C@@H](CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccccc1F ZINC000820907754 606371887 /nfs/dbraw/zinc/37/18/87/606371887.db2.gz GPUPINAOMWPCTM-YOEHRIQHSA-N 0 1 384.415 1.979 20 0 GDADMN C[C@]1(O)CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820629613 606378419 /nfs/dbraw/zinc/37/84/19/606378419.db2.gz YSZFVXBBZOINNR-KRWDZBQOSA-N 0 1 376.486 1.592 20 0 GDADMN C[C@]1(O)CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820629613 606378421 /nfs/dbraw/zinc/37/84/21/606378421.db2.gz YSZFVXBBZOINNR-KRWDZBQOSA-N 0 1 376.486 1.592 20 0 GDADMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000821579924 606393246 /nfs/dbraw/zinc/39/32/46/606393246.db2.gz SHBCXNPSJSCRPN-INIZCTEOSA-N 0 1 397.414 1.363 20 0 GDADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@@H]1CN1CCOCC1 ZINC000822732868 606502731 /nfs/dbraw/zinc/50/27/31/606502731.db2.gz NBGNCUNPZQUCCH-OAHLLOKOSA-N 0 1 394.426 1.765 20 0 GDADMN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cn1C ZINC000821337278 606590330 /nfs/dbraw/zinc/59/03/30/606590330.db2.gz FQKCVWVGNMLELA-UHFFFAOYSA-N 0 1 390.425 1.491 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1-c1nn[nH]n1 ZINC000821969651 606642704 /nfs/dbraw/zinc/64/27/04/606642704.db2.gz CMCZDQAHYRPPMC-LBPRGKRZSA-N 0 1 386.441 1.780 20 0 GDADMN O=Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cs1 ZINC000823551022 606660082 /nfs/dbraw/zinc/66/00/82/606660082.db2.gz BXDYEODIFQBUBH-UHFFFAOYSA-N 0 1 399.436 1.569 20 0 GDADMN COC[C@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000821681314 606669541 /nfs/dbraw/zinc/66/95/41/606669541.db2.gz HKJFOOSQQGKCHX-LLVKDONJSA-N 0 1 375.433 1.053 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N(CCN(C)C)Cc1ccco1 ZINC000822222682 606746545 /nfs/dbraw/zinc/74/65/45/606746545.db2.gz PSPFMYDOHIZNRM-UHFFFAOYSA-N 0 1 390.469 1.521 20 0 GDADMN C[N@H+]1CCCC[C@H]1CCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000821625653 606747996 /nfs/dbraw/zinc/74/79/96/606747996.db2.gz STVFLBAWCDGVTK-HNNXBMFYSA-N 0 1 386.504 1.729 20 0 GDADMN C[N@@H+]1CCCC[C@H]1CCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821625653 606747999 /nfs/dbraw/zinc/74/79/99/606747999.db2.gz STVFLBAWCDGVTK-HNNXBMFYSA-N 0 1 386.504 1.729 20 0 GDADMN C[N@H+]1CCCC[C@H]1CCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821625653 606748000 /nfs/dbraw/zinc/74/80/00/606748000.db2.gz STVFLBAWCDGVTK-HNNXBMFYSA-N 0 1 386.504 1.729 20 0 GDADMN CC[C@H]1CC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)O1 ZINC000820971979 606785339 /nfs/dbraw/zinc/78/53/39/606785339.db2.gz IZJIAHUDRPTSLY-QWHCGFSZSA-N 0 1 387.444 1.338 20 0 GDADMN Cn1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)c1 ZINC000822684561 606865549 /nfs/dbraw/zinc/86/55/49/606865549.db2.gz BFZKPWHVUPDDQF-UHFFFAOYSA-N 0 1 394.395 1.416 20 0 GDADMN CCO[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C12CCC2 ZINC000821362255 606892024 /nfs/dbraw/zinc/89/20/24/606892024.db2.gz YWVLAOUUSPAULR-OLZOCXBDSA-N 0 1 399.423 1.771 20 0 GDADMN Cn1ccnc1CN1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822699322 606896165 /nfs/dbraw/zinc/89/61/65/606896165.db2.gz VZEOOWGXOKBXTE-UHFFFAOYSA-N 0 1 382.472 1.187 20 0 GDADMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821572212 606908948 /nfs/dbraw/zinc/90/89/48/606908948.db2.gz VYRDBYMZAUFZMS-JKSUJKDBSA-N 0 1 388.472 1.841 20 0 GDADMN COc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)cc1-c1nn[nH]n1 ZINC000821821489 606957973 /nfs/dbraw/zinc/95/79/73/606957973.db2.gz IBDWJTTVSSBYHX-UHFFFAOYSA-N 0 1 380.456 1.634 20 0 GDADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC000821182178 607048881 /nfs/dbraw/zinc/04/88/81/607048881.db2.gz SEDYSVQEFGPHLV-CYBMUJFWSA-N 0 1 381.506 1.297 20 0 GDADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC000821182178 607048882 /nfs/dbraw/zinc/04/88/82/607048882.db2.gz SEDYSVQEFGPHLV-CYBMUJFWSA-N 0 1 381.506 1.297 20 0 GDADMN O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1 ZINC000823589000 607113473 /nfs/dbraw/zinc/11/34/73/607113473.db2.gz HKIDJJMRQQJULL-CYBMUJFWSA-N 0 1 387.421 1.835 20 0 GDADMN Cc1cccc([C@H](O)CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000822289197 607141443 /nfs/dbraw/zinc/14/14/43/607141443.db2.gz UOVVAPKSSJAILN-CQSZACIVSA-N 0 1 395.391 1.465 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000822200058 607167288 /nfs/dbraw/zinc/16/72/88/607167288.db2.gz SICFYCCWNIHZBQ-SJKOYZFVSA-N 0 1 380.456 1.614 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC3(CCC3)C2)cc1-c1nn[nH]n1 ZINC000821978288 607168964 /nfs/dbraw/zinc/16/89/64/607168964.db2.gz LJNDCNZMAAMZQN-SECBINFHSA-N 0 1 376.442 1.521 20 0 GDADMN O=C(NCCN1CCCCC1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000823197365 607180342 /nfs/dbraw/zinc/18/03/42/607180342.db2.gz SKEQBTZYYHHLDR-UHFFFAOYSA-N 0 1 377.836 1.061 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000823131776 607206792 /nfs/dbraw/zinc/20/67/92/607206792.db2.gz NZBWCPMPBMSIHZ-UHFFFAOYSA-N 0 1 386.379 1.412 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000823122484 607209013 /nfs/dbraw/zinc/20/90/13/607209013.db2.gz CGAUGUGMPAJZBF-UHFFFAOYSA-N 0 1 393.238 1.956 20 0 GDADMN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821596688 607212107 /nfs/dbraw/zinc/21/21/07/607212107.db2.gz RMYNPXBXHLGJBY-GOEBONIOSA-N 0 1 382.428 1.085 20 0 GDADMN Cc1nc(-c2ccccc2)sc1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822422757 607213729 /nfs/dbraw/zinc/21/37/29/607213729.db2.gz CJERMUCXFHVZSX-UHFFFAOYSA-N 0 1 381.425 1.207 20 0 GDADMN CC(C)(CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1c(Cl)cccc1Cl ZINC000819981353 607214126 /nfs/dbraw/zinc/21/41/26/607214126.db2.gz SNPLWABYWLGPNI-UHFFFAOYSA-N 0 1 395.254 1.859 20 0 GDADMN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819899253 607216623 /nfs/dbraw/zinc/21/66/23/607216623.db2.gz QJBCHNLRKIURHE-ZDUSSCGKSA-N 0 1 388.407 1.207 20 0 GDADMN Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)nc1 ZINC000822266942 607216754 /nfs/dbraw/zinc/21/67/54/607216754.db2.gz KUWAWVFFXWAMQW-UHFFFAOYSA-N 0 1 377.368 1.593 20 0 GDADMN Cc1cc(OC[C@H](O)Cn2cnc(-c3nn[nH]n3)n2)c(C(C)C)cc1Cl ZINC000826271822 607869325 /nfs/dbraw/zinc/86/93/25/607869325.db2.gz JCVYXRQTJUXDMQ-LLVKDONJSA-N 0 1 377.836 1.983 20 0 GDADMN CC1=C(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCCO1 ZINC000824853257 607881821 /nfs/dbraw/zinc/88/18/21/607881821.db2.gz ZQPDVWGNIYJYFV-UHFFFAOYSA-N 0 1 385.428 1.465 20 0 GDADMN Cc1noc(C)c1CCN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826339264 607924817 /nfs/dbraw/zinc/92/48/17/607924817.db2.gz XZFBJFQUEJSYJC-UHFFFAOYSA-N 0 1 384.444 1.702 20 0 GDADMN CCOc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)ccc1C ZINC000825615683 608019491 /nfs/dbraw/zinc/01/94/91/608019491.db2.gz GSKASQXZWMPHGC-UHFFFAOYSA-N 0 1 384.444 1.701 20 0 GDADMN CCOc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)ccc1C ZINC000825615683 608019492 /nfs/dbraw/zinc/01/94/92/608019492.db2.gz GSKASQXZWMPHGC-UHFFFAOYSA-N 0 1 384.444 1.701 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(C)CCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826073296 608020377 /nfs/dbraw/zinc/02/03/77/608020377.db2.gz NDRHYGPXDWHTGA-HXUWFJFHSA-N 0 1 394.483 1.975 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(C)CCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826073296 608020378 /nfs/dbraw/zinc/02/03/78/608020378.db2.gz NDRHYGPXDWHTGA-HXUWFJFHSA-N 0 1 394.483 1.975 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2c(C)noc2C)c1-c1nnn[n-]1 ZINC000826077536 608020472 /nfs/dbraw/zinc/02/04/72/608020472.db2.gz LMFXZMQEIQMCNC-SECBINFHSA-N 0 1 387.448 1.479 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2c(C)noc2C)c1-c1nn[n-]n1 ZINC000826077536 608020473 /nfs/dbraw/zinc/02/04/73/608020473.db2.gz LMFXZMQEIQMCNC-SECBINFHSA-N 0 1 387.448 1.479 20 0 GDADMN CCn1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)c2ccccc21 ZINC000825799890 608021010 /nfs/dbraw/zinc/02/10/10/608021010.db2.gz VVHJUWZVONSZSX-UHFFFAOYSA-N 0 1 393.455 1.969 20 0 GDADMN CCn1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)c2ccccc21 ZINC000825799890 608021011 /nfs/dbraw/zinc/02/10/11/608021011.db2.gz VVHJUWZVONSZSX-UHFFFAOYSA-N 0 1 393.455 1.969 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(F)cc2F)c1-c1nnn[n-]1 ZINC000826077590 608022944 /nfs/dbraw/zinc/02/29/44/608022944.db2.gz NQPZMINKGROZTR-UHFFFAOYSA-N 0 1 376.371 1.581 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(F)cc2F)c1-c1nn[n-]n1 ZINC000826077590 608022945 /nfs/dbraw/zinc/02/29/45/608022945.db2.gz NQPZMINKGROZTR-UHFFFAOYSA-N 0 1 376.371 1.581 20 0 GDADMN CCOC(=O)C[C@@H](C)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825499733 608026560 /nfs/dbraw/zinc/02/65/60/608026560.db2.gz SRCWBNGHOKENHB-MRVPVSSYSA-N 0 1 389.384 1.013 20 0 GDADMN COc1ccc2c(c1)CCN([C@@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826213330 608038055 /nfs/dbraw/zinc/03/80/55/608038055.db2.gz TUKDVOFIXSKPFV-GOSISDBHSA-N 0 1 378.436 1.503 20 0 GDADMN C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1Br)N1CCN(C)CC1 ZINC000824427746 608048566 /nfs/dbraw/zinc/04/85/66/608048566.db2.gz NZHMNPJAPFYJRY-NSHDSACASA-N 0 1 380.294 1.677 20 0 GDADMN C[NH+](C)CCOc1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)ccn1 ZINC000825870714 608100358 /nfs/dbraw/zinc/10/03/58/608100358.db2.gz ZORRPFVKBUEMEE-UHFFFAOYSA-N 0 1 391.439 1.757 20 0 GDADMN C[NH+](C)CCOc1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)ccn1 ZINC000825870714 608100359 /nfs/dbraw/zinc/10/03/59/608100359.db2.gz ZORRPFVKBUEMEE-UHFFFAOYSA-N 0 1 391.439 1.757 20 0 GDADMN O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826453536 608108030 /nfs/dbraw/zinc/10/80/30/608108030.db2.gz OFXKOMMPIVUKOW-UHFFFAOYSA-N 0 1 379.424 1.471 20 0 GDADMN O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826453536 608108031 /nfs/dbraw/zinc/10/80/31/608108031.db2.gz OFXKOMMPIVUKOW-UHFFFAOYSA-N 0 1 379.424 1.471 20 0 GDADMN COc1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1Cl ZINC000826193004 608167660 /nfs/dbraw/zinc/16/76/60/608167660.db2.gz LOVROVGHZKXPEW-UHFFFAOYSA-N 0 1 376.852 1.899 20 0 GDADMN COc1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1Cl ZINC000826193004 608167661 /nfs/dbraw/zinc/16/76/61/608167661.db2.gz LOVROVGHZKXPEW-UHFFFAOYSA-N 0 1 376.852 1.899 20 0 GDADMN COc1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1Cl ZINC000826193004 608167663 /nfs/dbraw/zinc/16/76/63/608167663.db2.gz LOVROVGHZKXPEW-UHFFFAOYSA-N 0 1 376.852 1.899 20 0 GDADMN COc1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1Cl ZINC000826193004 608167664 /nfs/dbraw/zinc/16/76/64/608167664.db2.gz LOVROVGHZKXPEW-UHFFFAOYSA-N 0 1 376.852 1.899 20 0 GDADMN Cc1nnc(SCC(=O)NCc2nc(-c3cccc(-c4nn[nH]n4)c3)c[nH]2)[nH]1 ZINC000826322441 608190269 /nfs/dbraw/zinc/19/02/69/608190269.db2.gz MGEHAAVIGURRTQ-UHFFFAOYSA-N 0 1 396.440 1.092 20 0 GDADMN O=C(N[C@H]1CCc2nc[nH]c2C1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826432134 608195668 /nfs/dbraw/zinc/19/56/68/608195668.db2.gz SRHDABFERPJJNT-GUYCJALGSA-N 0 1 378.440 1.232 20 0 GDADMN NC(=O)[C@H](NCCc1nc2c(s1)CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389140 608239345 /nfs/dbraw/zinc/23/93/45/608239345.db2.gz QTEBSVUBQXICHZ-MRXNPFEDSA-N 0 1 383.481 1.561 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000826175194 608245803 /nfs/dbraw/zinc/24/58/03/608245803.db2.gz WOJRFWNAKJVZDC-UHFFFAOYSA-N 0 1 393.407 1.755 20 0 GDADMN O=S(=O)(CCN[C@]1(CO)CCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000826485647 608254911 /nfs/dbraw/zinc/25/49/11/608254911.db2.gz ZCLVIBLLPOTHCF-IBGZPJMESA-N 0 1 399.476 1.064 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1-c1nnn[n-]1 ZINC000826332385 608313400 /nfs/dbraw/zinc/31/34/00/608313400.db2.gz SFXIVURMBACHQQ-OAHLLOKOSA-N 0 1 380.456 1.591 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC[C@@H]2CC(N)=O)c1-c1nnn[n-]1 ZINC000826332385 608313402 /nfs/dbraw/zinc/31/34/02/608313402.db2.gz SFXIVURMBACHQQ-OAHLLOKOSA-N 0 1 380.456 1.591 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1-c1nn[n-]n1 ZINC000826332385 608313404 /nfs/dbraw/zinc/31/34/04/608313404.db2.gz SFXIVURMBACHQQ-OAHLLOKOSA-N 0 1 380.456 1.591 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC[C@@H]2CC(N)=O)c1-c1nn[n-]n1 ZINC000826332385 608313406 /nfs/dbraw/zinc/31/34/06/608313406.db2.gz SFXIVURMBACHQQ-OAHLLOKOSA-N 0 1 380.456 1.591 20 0 GDADMN O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)N1CC[C@H](N2CCCCC2)C1 ZINC000826485098 608332450 /nfs/dbraw/zinc/33/24/50/608332450.db2.gz CAYHPGHCSOODOD-HNNXBMFYSA-N 0 1 394.476 1.396 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)cc(C)cc2C)c1-c1nnn[n-]1 ZINC000826077496 608355588 /nfs/dbraw/zinc/35/55/88/608355588.db2.gz KDATWAXONGBLFW-UHFFFAOYSA-N 0 1 382.472 1.848 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)cc(C)cc2C)c1-c1nn[n-]n1 ZINC000826077496 608355590 /nfs/dbraw/zinc/35/55/90/608355590.db2.gz KDATWAXONGBLFW-UHFFFAOYSA-N 0 1 382.472 1.848 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1-c1nn[nH]n1 ZINC000826229779 608359151 /nfs/dbraw/zinc/35/91/51/608359151.db2.gz RDPPRWDDNJELNB-SECBINFHSA-N 0 1 392.441 1.105 20 0 GDADMN CC[C@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825220374 608407458 /nfs/dbraw/zinc/40/74/58/608407458.db2.gz ROCONQPGBUIFNE-HOTGVXAUSA-N 0 1 390.513 1.199 20 0 GDADMN COc1ccc([C@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826187782 608431257 /nfs/dbraw/zinc/43/12/57/608431257.db2.gz FFNSZIOCHFFHMP-ZDUSSCGKSA-N 0 1 387.465 2.000 20 0 GDADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826189139 608431909 /nfs/dbraw/zinc/43/19/09/608431909.db2.gz OGEQUUXTFDEEEJ-QGZVFWFLSA-N 0 1 382.424 1.527 20 0 GDADMN COc1ccc([C@H](CCO)NCC(=O)Nc2sccc2-c2nn[nH]n2)cc1 ZINC000826189308 608431964 /nfs/dbraw/zinc/43/19/64/608431964.db2.gz SPACSWPRFYVCTC-AWEZNQCLSA-N 0 1 388.453 1.589 20 0 GDADMN C[C@H]1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1ccnc1 ZINC000824952787 608452381 /nfs/dbraw/zinc/45/23/81/608452381.db2.gz ATDJTYHAUICZGZ-YOEHRIQHSA-N 0 1 380.456 1.263 20 0 GDADMN C[C@@H]1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1ccnc1 ZINC000824952780 608452645 /nfs/dbraw/zinc/45/26/45/608452645.db2.gz ATDJTYHAUICZGZ-PBHICJAKSA-N 0 1 380.456 1.263 20 0 GDADMN c1ncn(-c2ccccc2CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 ZINC000826519941 608509947 /nfs/dbraw/zinc/50/99/47/608509947.db2.gz VEGNYMILMKOBKP-UHFFFAOYSA-N 0 1 388.439 1.165 20 0 GDADMN c1nc(-c2ccccc2)[nH]c1CN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826519174 608513863 /nfs/dbraw/zinc/51/38/63/608513863.db2.gz NFDZBFIAPNWPJW-UHFFFAOYSA-N 0 1 387.451 1.974 20 0 GDADMN c1cnn(-c2cccc(CN3CCN(c4ccc(-c5nn[nH]n5)cn4)CC3)c2)c1 ZINC000826515890 608517447 /nfs/dbraw/zinc/51/74/47/608517447.db2.gz OOBTXTCKKVFWRB-UHFFFAOYSA-N 0 1 387.451 1.770 20 0 GDADMN CC(C)(F)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000824162905 608529290 /nfs/dbraw/zinc/52/92/90/608529290.db2.gz TZVKGXUODNKESY-UHFFFAOYSA-N 0 1 375.364 1.511 20 0 GDADMN COc1cccc(CNC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826215864 608529490 /nfs/dbraw/zinc/52/94/90/608529490.db2.gz ASBIGOXHWCOXRT-UHFFFAOYSA-N 0 1 378.436 1.770 20 0 GDADMN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824936291 608530164 /nfs/dbraw/zinc/53/01/64/608530164.db2.gz FLQJZLPVZUGLQG-CZUORRHYSA-N 0 1 397.483 1.850 20 0 GDADMN O=C(CNC1(c2ccc3c(c2)OCO3)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412427 608555773 /nfs/dbraw/zinc/55/57/73/608555773.db2.gz NPXIWPAVGIAQHG-UHFFFAOYSA-N 0 1 392.419 1.491 20 0 GDADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000826457843 608561102 /nfs/dbraw/zinc/56/11/02/608561102.db2.gz SIXSNHBPBHVIAT-UHFFFAOYSA-N 0 1 379.424 1.471 20 0 GDADMN CN1CCC2(CCCN2S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000826028439 608564086 /nfs/dbraw/zinc/56/40/86/608564086.db2.gz AGSSTACDPCDQOW-UHFFFAOYSA-N 0 1 398.439 1.394 20 0 GDADMN C[C@H](CNCc1ccc(Br)cc1N1CCOCC1)S(C)(=O)=O ZINC000530492743 649976930 /nfs/dbraw/zinc/97/69/30/649976930.db2.gz UIJWOMZQJJZIRK-GFCCVEGCSA-N 0 1 391.331 1.808 20 0 GDADMN CN(CC(F)F)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825902371 608736150 /nfs/dbraw/zinc/73/61/50/608736150.db2.gz SDUROTWRIMMYOY-UHFFFAOYSA-N 0 1 376.415 1.676 20 0 GDADMN O=C(NCCN1CCc2ccccc2C1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826437536 609194416 /nfs/dbraw/zinc/19/44/16/609194416.db2.gz PLWSSWYWBATBHO-GOSISDBHSA-N 0 1 378.436 1.075 20 0 GDADMN C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)c1nnc[nH]1 ZINC000824507156 609360849 /nfs/dbraw/zinc/36/08/49/609360849.db2.gz VBDUAXBWGBJHJR-MRVPVSSYSA-N 0 1 383.351 1.192 20 0 GDADMN Cc1onc(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1-c1nnn[n-]1 ZINC000826347217 609470951 /nfs/dbraw/zinc/47/09/51/609470951.db2.gz IYOXPVPTAPSFFF-UHFFFAOYSA-N 0 1 382.428 1.133 20 0 GDADMN Cc1onc(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1-c1nn[n-]n1 ZINC000826347217 609470953 /nfs/dbraw/zinc/47/09/53/609470953.db2.gz IYOXPVPTAPSFFF-UHFFFAOYSA-N 0 1 382.428 1.133 20 0 GDADMN O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC000826494020 609544406 /nfs/dbraw/zinc/54/44/06/609544406.db2.gz LZHJEXJMMHPSTL-GFCCVEGCSA-N 0 1 382.877 1.379 20 0 GDADMN Cc1ccnc(N[C@H](C)CN2CCN(c3ccccn3)CC2)c1-c1nn[nH]n1 ZINC000826311403 609557459 /nfs/dbraw/zinc/55/74/59/609557459.db2.gz DACPZFFBPXODHZ-OAHLLOKOSA-N 0 1 379.472 1.588 20 0 GDADMN COCC[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccco1 ZINC000826154289 609583213 /nfs/dbraw/zinc/58/32/13/609583213.db2.gz MAIXOMKFDZMRCX-LBPRGKRZSA-N 0 1 399.379 1.794 20 0 GDADMN CC(C)NS(=O)(=O)CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531078594 649986834 /nfs/dbraw/zinc/98/68/34/649986834.db2.gz ADQJYGGJDDOLCO-HNNXBMFYSA-N 0 1 390.937 1.570 20 0 GDADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N[C@H]1CC[S@@](=O)C1 ZINC000531886891 649999843 /nfs/dbraw/zinc/99/98/43/649999843.db2.gz DPXRQEUTQONTNX-BSNNYGBQSA-N 0 1 398.286 1.554 20 0 GDADMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N[C@H]1CC[S@@](=O)C1 ZINC000531886891 649999844 /nfs/dbraw/zinc/99/98/44/649999844.db2.gz DPXRQEUTQONTNX-BSNNYGBQSA-N 0 1 398.286 1.554 20 0 GDADMN O=S(=O)(Nc1cc(-c2ccc(Br)s2)n[nH]1)N1CCOCC1 ZINC000532206909 650019064 /nfs/dbraw/zinc/01/90/64/650019064.db2.gz DKSHGNLMEDXXJT-UHFFFAOYSA-N 0 1 393.288 1.890 20 0 GDADMN CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)C1 ZINC000532740917 650031731 /nfs/dbraw/zinc/03/17/31/650031731.db2.gz OHXSHKOLGRYQLE-LSDHHAIUSA-N 0 1 388.921 1.276 20 0 GDADMN COCc1nc(C)c(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000533992397 650216817 /nfs/dbraw/zinc/21/68/17/650216817.db2.gz UEDNTJKKCRVARP-CYBMUJFWSA-N 0 1 389.543 1.179 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C)Cc1ccoc1 ZINC000536393046 650269987 /nfs/dbraw/zinc/26/99/87/650269987.db2.gz LEGWKQPBKZLUDX-UHFFFAOYSA-N 0 1 388.467 1.871 20 0 GDADMN O=C(NC1(c2nn[nH]n2)CCCC1)c1cnn2cc(Br)cnc12 ZINC000536707771 650279260 /nfs/dbraw/zinc/27/92/60/650279260.db2.gz QJPDBCYKDMHSDU-UHFFFAOYSA-N 0 1 377.206 1.204 20 0 GDADMN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Nc2cccnc2C)s1 ZINC000538001703 650303046 /nfs/dbraw/zinc/30/30/46/650303046.db2.gz DOVHZPLQVPTWHL-UHFFFAOYSA-N 0 1 389.524 1.734 20 0 GDADMN 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CCC[C@@H]1CNCCN1C(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000582835506 652018076 /nfs/dbraw/zinc/01/80/76/652018076.db2.gz WVDKPMIAIKKFBK-CQSZACIVSA-N 0 1 388.559 1.427 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000583147218 652027194 /nfs/dbraw/zinc/02/71/94/652027194.db2.gz KBKJMKPHDNEJDJ-CZUORRHYSA-N 0 1 388.258 1.612 20 0 GDADMN Cc1nnc(SCCC(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)[nH]1 ZINC000583893428 652048430 /nfs/dbraw/zinc/04/84/30/652048430.db2.gz XTXHQMRJNDSSRH-UHFFFAOYSA-N 0 1 383.499 1.162 20 0 GDADMN C[C@@H](C(=O)NCC(=O)Nc1ccc(I)cc1)N(C)C ZINC000586826429 652096161 /nfs/dbraw/zinc/09/61/61/652096161.db2.gz YDWRRPYEZIIRSG-VIFPVBQESA-N 0 1 375.210 1.296 20 0 GDADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1OC ZINC000589930497 652121809 /nfs/dbraw/zinc/12/18/09/652121809.db2.gz YCYOVBWFLBXPKZ-MFKMUULPSA-N 0 1 388.873 1.460 20 0 GDADMN O=C(Nc1n[nH]c2ncnn12)c1ccc(Cl)c(I)c1 ZINC000590379650 652129493 /nfs/dbraw/zinc/12/94/93/652129493.db2.gz 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CC(C)[C@H](CNC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)[NH+]1CCOCC1 ZINC000908773003 939318949 /nfs/dbraw/zinc/31/89/49/939318949.db2.gz ZWXVEUDNSVZDHN-PXNSSMCTSA-N 0 1 375.469 1.569 20 0 GDADMN CN1CC[NH+](Cc2ccc(C(=O)NC3(C(=O)[O-])CCSCC3)cc2)CC1 ZINC000909348161 939397728 /nfs/dbraw/zinc/39/77/28/939397728.db2.gz KOVAOODZGZMFIF-UHFFFAOYSA-N 0 1 377.510 1.514 20 0 GDADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)cc2)C[C@@H](C)O1 ZINC000909546699 939405492 /nfs/dbraw/zinc/40/54/92/939405492.db2.gz RMZMJWZOBBHFLV-LTDCPUDJSA-N 0 1 390.480 1.905 20 0 GDADMN CC(C)(C)OC(=O)NCC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372731 939822452 /nfs/dbraw/zinc/82/24/52/939822452.db2.gz SIDSKACWUANQQL-FQEVSTJZSA-N 0 1 391.468 1.747 20 0 GDADMN Cc1nn[nH]c1C(=O)N1C[C@H](C)[C@H](CNc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571258568 945360144 /nfs/dbraw/zinc/36/01/44/945360144.db2.gz WGEKBQOTRBBTNS-GXSJLCMTSA-N 0 1 385.407 1.253 20 0 GDADMN Cc1noc([C@@H](C)NC[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571260416 945414583 /nfs/dbraw/zinc/41/45/83/945414583.db2.gz RXGSBCIRGSWRTH-PWSUYJOCSA-N 0 1 385.432 1.089 20 0 GDADMN C[C@](O)(CC(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001571263236 945453621 /nfs/dbraw/zinc/45/36/21/945453621.db2.gz KNLYPXPULPFWET-KUHUBIRLSA-N 0 1 385.472 1.028 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3cnsn3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571263912 945469810 /nfs/dbraw/zinc/46/98/10/945469810.db2.gz ZPGSDESQSQDZHC-LLVKDONJSA-N 0 1 385.457 1.211 20 0 GDADMN CC1(NC(=O)[C@H]2CCCOCC2)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571264121 945475422 /nfs/dbraw/zinc/47/54/22/945475422.db2.gz GPRQMMMFCYDNEQ-AWEZNQCLSA-N 0 1 385.472 1.554 20 0 GDADMN CCC[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001571264860 945493185 /nfs/dbraw/zinc/49/31/85/945493185.db2.gz YXNNZIGHXVDHPV-KBUPBQIOSA-N 0 1 385.472 1.338 20 0 GDADMN Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001571266103 945530558 /nfs/dbraw/zinc/53/05/58/945530558.db2.gz WGDPZRHAHNDWKB-SWLSCSKDSA-N 0 1 385.497 1.955 20 0 GDADMN Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001571266103 945530568 /nfs/dbraw/zinc/53/05/68/945530568.db2.gz WGDPZRHAHNDWKB-SWLSCSKDSA-N 0 1 385.497 1.955 20 0 GDADMN Cc1cc(NCC2CC(NC(=O)[C@H]3CCCOCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266595 945546940 /nfs/dbraw/zinc/54/69/40/945546940.db2.gz UZAHDPLJMOWNIH-SLTAFYQDSA-N 0 1 385.472 1.115 20 0 GDADMN Cc1cc(NC[C@H]2C[C@H](NC(=O)C[C@@H]3CCCCO3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266820 945553974 /nfs/dbraw/zinc/55/39/74/945553974.db2.gz ZRBVYYKMGAFLGI-KKUMJFAQSA-N 0 1 385.472 1.258 20 0 GDADMN C[C@H]1CN(CCCNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C[C@H](C)O1 ZINC000820758991 945554252 /nfs/dbraw/zinc/55/42/52/945554252.db2.gz GMIOBDQHZPMAHY-QWRGUYRKSA-N 0 1 379.852 1.144 20 0 GDADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cc(F)cc(F)c1 ZINC001571267383 945568651 /nfs/dbraw/zinc/56/86/51/945568651.db2.gz SPQYCJVORWXAOY-ZANVPECISA-N 0 1 386.366 1.072 20 0 GDADMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000820989534 945606383 /nfs/dbraw/zinc/60/63/83/945606383.db2.gz VREBIAGMLREPTL-WMLDXEAASA-N 0 1 387.488 1.680 20 0 GDADMN O=C([C@@H]1CCOC1)N1CC[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571269465 945620950 /nfs/dbraw/zinc/62/09/50/945620950.db2.gz YXTYEAABHAXGLZ-OGHNNQOOSA-N 0 1 386.431 1.075 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3cc(Cl)cn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571275643 945711063 /nfs/dbraw/zinc/71/10/63/945711063.db2.gz ZVWRSTJOIULAJK-LBPRGKRZSA-N 0 1 386.847 1.571 20 0 GDADMN CNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821629932 945758464 /nfs/dbraw/zinc/75/84/64/945758464.db2.gz GTVPZOAAMWJUBA-UWVGGRQHSA-N 0 1 379.852 1.161 20 0 GDADMN C[C@@H](NCc1csnn1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571280973 945795801 /nfs/dbraw/zinc/79/58/01/945795801.db2.gz AXCMZQQDQZFQAT-SNVBAGLBSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H](NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C)c1csnn1 ZINC001571281721 945812167 /nfs/dbraw/zinc/81/21/67/945812167.db2.gz MOJYQUZRVXGTOQ-JFGNBEQYSA-N 0 1 387.473 1.105 20 0 GDADMN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(-c4nn[nH]n4)o3)c2C)C1=O ZINC001573451682 945837828 /nfs/dbraw/zinc/83/78/28/945837828.db2.gz YFLGUKSFNISPDU-UHFFFAOYSA-N 0 1 395.379 1.809 20 0 GDADMN Cc1[nH]nc(Cl)c1C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571283649 945888046 /nfs/dbraw/zinc/88/80/46/945888046.db2.gz GYSXVLOVLNZPCQ-UHFFFAOYSA-N 0 1 387.835 1.345 20 0 GDADMN CC1(CC(=O)N2CCO[C@H](CNCc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001571287865 945981198 /nfs/dbraw/zinc/98/11/98/945981198.db2.gz JXRZENOBURGRBP-OAHLLOKOSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CO1 ZINC001571288139 945983930 /nfs/dbraw/zinc/98/39/30/945983930.db2.gz MOPZOKHULQQEOL-IUODEOHRSA-N 0 1 388.447 1.511 20 0 GDADMN O=C(CCN1CC[C@@H](F)C1)NC1(c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001571288742 945993905 /nfs/dbraw/zinc/99/39/05/945993905.db2.gz SLYCEJRILUWQGV-MRXNPFEDSA-N 0 1 388.447 1.423 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)[C@@H]1CCCO1 ZINC001571289597 946012702 /nfs/dbraw/zinc/01/27/02/946012702.db2.gz IMSWWMODRGSMRT-KLLIRPSPSA-N 0 1 388.497 1.290 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)[C@@H]1CCCO1 ZINC001571289597 946012710 /nfs/dbraw/zinc/01/27/10/946012710.db2.gz IMSWWMODRGSMRT-KLLIRPSPSA-N 0 1 388.497 1.290 20 0 GDADMN Cc1ccc2nc(CNC(=O)NCCNc3ncccc3-c3nn[nH]n3)[nH]c2c1 ZINC000822271004 946039575 /nfs/dbraw/zinc/03/95/75/946039575.db2.gz IEBNXXIMPQAOIQ-UHFFFAOYSA-N 0 1 392.427 1.358 20 0 GDADMN COc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@H]2C)o1 ZINC001571290305 946039900 /nfs/dbraw/zinc/03/99/00/946039900.db2.gz ZYYRARBTVQLOSF-ZYHUDNBSSA-N 0 1 388.453 1.923 20 0 GDADMN COc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@H]2C)o1 ZINC001571290305 946039914 /nfs/dbraw/zinc/03/99/14/946039914.db2.gz ZYYRARBTVQLOSF-ZYHUDNBSSA-N 0 1 388.453 1.923 20 0 GDADMN C[C@H]1CC[C@@H](NC(=O)c2occc2Cl)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571290937 946064093 /nfs/dbraw/zinc/06/40/93/946064093.db2.gz UYMYUVLYNQQFPJ-VHSXEESVSA-N 0 1 388.819 1.690 20 0 GDADMN Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](Cc3cnn(C)c3)C2)c(-c2nn[nH]n2)c1C ZINC000822541015 946117604 /nfs/dbraw/zinc/11/76/04/946117604.db2.gz KODMUTAITSSAHJ-TZMCWYRMSA-N 0 1 398.471 1.702 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000822535346 946119039 /nfs/dbraw/zinc/11/90/39/946119039.db2.gz NXTYPHRWIAFGLF-YPMHNXCESA-N 0 1 381.440 1.914 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000822535346 946119046 /nfs/dbraw/zinc/11/90/46/946119046.db2.gz NXTYPHRWIAFGLF-YPMHNXCESA-N 0 1 381.440 1.914 20 0 GDADMN COC(=O)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@H]([C@@H]2CCCO2)C1 ZINC001571293825 946119350 /nfs/dbraw/zinc/11/93/50/946119350.db2.gz SSJYUIDOAZRGGV-COXVUDFISA-N 0 1 389.431 1.938 20 0 GDADMN O=C(N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC(F)(F)C1 ZINC001571294471 946136958 /nfs/dbraw/zinc/13/69/58/946136958.db2.gz IBZYJVZNFXQEAD-MEDUHNTESA-N 0 1 390.398 1.320 20 0 GDADMN O=C(Cc1cscn1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571294706 946143729 /nfs/dbraw/zinc/14/37/29/946143729.db2.gz KYTXBHQUXAWQET-LBPRGKRZSA-N 0 1 389.510 1.708 20 0 GDADMN O=C(Cc1cscn1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571294706 946143735 /nfs/dbraw/zinc/14/37/35/946143735.db2.gz KYTXBHQUXAWQET-LBPRGKRZSA-N 0 1 389.510 1.708 20 0 GDADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCC(F)(F)C1 ZINC001571295081 946153189 /nfs/dbraw/zinc/15/31/89/946153189.db2.gz SFIMIFPDFPBTRC-QCNOEVLYSA-N 0 1 390.398 1.318 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1csc(Cl)n1 ZINC001571295351 946161135 /nfs/dbraw/zinc/16/11/35/946161135.db2.gz YPYHGKHSNXLMGL-GFCCVEGCSA-N 0 1 389.872 1.981 20 0 GDADMN Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(-c3nn[nH]n3)c2)cnn1 ZINC001571298149 946208542 /nfs/dbraw/zinc/20/85/42/946208542.db2.gz ARGUEACAMKCICV-SQNIBIBYSA-N 0 1 390.451 1.500 20 0 GDADMN Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571298566 946221498 /nfs/dbraw/zinc/22/14/98/946221498.db2.gz BAZIZRUPYAFBBI-RAIGVLPGSA-N 0 1 390.517 1.232 20 0 GDADMN Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571298566 946221507 /nfs/dbraw/zinc/22/15/07/946221507.db2.gz BAZIZRUPYAFBBI-RAIGVLPGSA-N 0 1 390.517 1.232 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299229 946243521 /nfs/dbraw/zinc/24/35/21/946243521.db2.gz PKINWOUSLWDKBF-OWCLPIDISA-N 0 1 390.451 1.464 20 0 GDADMN C[C@@H]1CN(C(=O)c2ncc(Cl)s2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571299623 946256841 /nfs/dbraw/zinc/25/68/41/946256841.db2.gz NQFJWNDDGDNXKR-LDYMZIIASA-N 0 1 390.860 1.366 20 0 GDADMN CCOC1CC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571299929 946266030 /nfs/dbraw/zinc/26/60/30/946266030.db2.gz RGWREHKNFBRFOK-AKJUYKBHSA-N 0 1 390.513 1.870 20 0 GDADMN CCOC1CC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571299929 946266039 /nfs/dbraw/zinc/26/60/39/946266039.db2.gz RGWREHKNFBRFOK-AKJUYKBHSA-N 0 1 390.513 1.870 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccsc1Cl ZINC001571300079 946273304 /nfs/dbraw/zinc/27/33/04/946273304.db2.gz UCIAFQCJTZQFPL-VIFPVBQESA-N 0 1 390.860 1.770 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)c2cccnc2C2CC2)C1 ZINC001571303676 946345485 /nfs/dbraw/zinc/34/54/85/946345485.db2.gz PADSFYFEGQQJCF-ZDUSSCGKSA-N 0 1 391.439 1.280 20 0 GDADMN Cc1nc(Cl)sc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571305571 946366274 /nfs/dbraw/zinc/36/62/74/946366274.db2.gz FRFDPDKNYASCFU-MRVPVSSYSA-N 0 1 391.848 1.084 20 0 GDADMN O=C(c1cncnc1)N1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571306028 946386467 /nfs/dbraw/zinc/38/64/67/946386467.db2.gz OBCNRPVDYFYFDV-UHFFFAOYSA-N 0 1 391.848 1.119 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC001571306347 946398572 /nfs/dbraw/zinc/39/85/72/946398572.db2.gz TWQKUNFJWLSFKF-HNNXBMFYSA-N 0 1 391.479 1.758 20 0 GDADMN O=C(CC1CC(F)(F)C1)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571309565 946448620 /nfs/dbraw/zinc/44/86/20/946448620.db2.gz DICWJCXLIUGNSY-NSHDSACASA-N 0 1 392.414 1.165 20 0 GDADMN CCc1ccccc1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571310595 946475644 /nfs/dbraw/zinc/47/56/44/946475644.db2.gz KGUPTNOLNVWHJC-MOPGFXCFSA-N 0 1 392.463 1.404 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001571310775 946478038 /nfs/dbraw/zinc/47/80/38/946478038.db2.gz MLIKGCFPJWGNIB-GOEBONIOSA-N 0 1 392.467 1.675 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)n1C ZINC001571314891 946545678 /nfs/dbraw/zinc/54/56/78/946545678.db2.gz CWIOVBAXJFFBOP-QGZVFWFLSA-N 0 1 392.467 1.698 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cc4n(c3)CCCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315830 946560504 /nfs/dbraw/zinc/56/05/04/946560504.db2.gz PADXWDACTFKVSA-OAHLLOKOSA-N 0 1 392.467 1.456 20 0 GDADMN Cc1cc(NC[C@]2(C)CCN(C(=O)c3ccncc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315847 946560665 /nfs/dbraw/zinc/56/06/65/946560665.db2.gz PMGGWKZYKBFEIF-FQEVSTJZSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ccn1 ZINC001571316149 946566333 /nfs/dbraw/zinc/56/63/33/946566333.db2.gz UXNUHAXKBNKRFS-OAHLLOKOSA-N 0 1 392.467 1.660 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571316333 946573559 /nfs/dbraw/zinc/57/35/59/946573559.db2.gz ACIKGDNWFXLXGU-CVEARBPZSA-N 0 1 392.467 1.400 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317435 946609021 /nfs/dbraw/zinc/60/90/21/946609021.db2.gz HNXFUXMZZLNZCR-NWDGAFQWSA-N 0 1 392.485 1.160 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317435 946609026 /nfs/dbraw/zinc/60/90/26/946609026.db2.gz HNXFUXMZZLNZCR-NWDGAFQWSA-N 0 1 392.485 1.160 20 0 GDADMN CC[C@@H](C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317513 946611123 /nfs/dbraw/zinc/61/11/23/946611123.db2.gz KSUPRWNQRQJRRG-OLZOCXBDSA-N 0 1 392.533 1.399 20 0 GDADMN C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317934 946623713 /nfs/dbraw/zinc/62/37/13/946623713.db2.gz ZFJHXKVVYBKOPS-SCZZXKLOSA-N 0 1 392.876 1.806 20 0 GDADMN C[C@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824565079 946804065 /nfs/dbraw/zinc/80/40/65/946804065.db2.gz YQFDJOGTRGXIMY-BIXPNRAVSA-N 0 1 384.465 1.893 20 0 GDADMN C[C@@H](NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599909 946851337 /nfs/dbraw/zinc/85/13/37/946851337.db2.gz URZHEGAVVWNPLS-CZUORRHYSA-N 0 1 394.501 1.006 20 0 GDADMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068699 947064085 /nfs/dbraw/zinc/06/40/85/947064085.db2.gz VNFAFWUSNCMZAJ-CHWSQXEVSA-N 0 1 382.472 1.660 20 0 GDADMN C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573586917 947295884 /nfs/dbraw/zinc/29/58/84/947295884.db2.gz UMLXFEBMBXVJHC-HUUCEWRRSA-N 0 1 386.504 1.785 20 0 GDADMN CCc1cnccc1[C@@H](C)NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825739787 947310176 /nfs/dbraw/zinc/31/01/76/947310176.db2.gz JXLUEYXUEHFCOJ-CYBMUJFWSA-N 0 1 386.481 1.949 20 0 GDADMN C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573593008 947358093 /nfs/dbraw/zinc/35/80/93/947358093.db2.gz HNIXWFRLTWDXMY-IUODEOHRSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573594353 947392285 /nfs/dbraw/zinc/39/22/85/947392285.db2.gz YIABESFUVSQRFX-DYVFJYSZSA-N 0 1 385.472 1.504 20 0 GDADMN CC(C(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1)=C1CCCC1 ZINC001573596127 947426568 /nfs/dbraw/zinc/42/65/68/947426568.db2.gz IRXUXRPVDVCNGX-HNNXBMFYSA-N 0 1 385.472 1.114 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573601767 947463467 /nfs/dbraw/zinc/46/34/67/947463467.db2.gz BEGFZFKIKPWXBS-AWEZNQCLSA-N 0 1 382.472 1.294 20 0 GDADMN C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1c(F)cccc1F ZINC001573602900 947473109 /nfs/dbraw/zinc/47/31/09/947473109.db2.gz BHJNCXHGLMRGDR-JTQLQIEISA-N 0 1 388.382 1.031 20 0 GDADMN C[C@H](C(=O)N(C)c1nc2c(cccc2Cl)s1)n1cnc(-c2nn[nH]n2)n1 ZINC001573602950 947475550 /nfs/dbraw/zinc/47/55/50/947475550.db2.gz CMZMTBCMUBANQC-SSDOTTSWSA-N 0 1 389.832 1.945 20 0 GDADMN CC(C)N(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001573603422 947486775 /nfs/dbraw/zinc/48/67/75/947486775.db2.gz GMZVTXJAAGHSRW-YOEHRIQHSA-N 0 1 387.488 1.750 20 0 GDADMN C[C@@H](C(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1)n1cccc1 ZINC001573604508 947513284 /nfs/dbraw/zinc/51/32/84/947513284.db2.gz ODZGLMBSXKHPQB-VIFPVBQESA-N 0 1 380.865 1.910 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573614812 947594337 /nfs/dbraw/zinc/59/43/37/947594337.db2.gz HMYIRTINTTZTKU-NWDGAFQWSA-N 0 1 384.469 1.204 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573615770 947610439 /nfs/dbraw/zinc/61/04/39/947610439.db2.gz KLIFDSCHOZWMMD-CHWSQXEVSA-N 0 1 382.428 1.126 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)n1cccc1 ZINC001573616513 947622962 /nfs/dbraw/zinc/62/29/62/947622962.db2.gz WWAPCMYXBKINPK-CZUORRHYSA-N 0 1 380.456 1.395 20 0 GDADMN C[C@@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573616478 947623393 /nfs/dbraw/zinc/62/33/93/947623393.db2.gz IVSQVLQWEHBMOA-CXAGYDPISA-N 0 1 385.472 1.149 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573352129 947624949 /nfs/dbraw/zinc/62/49/49/947624949.db2.gz VXJLMDDTNGZZJT-CZUORRHYSA-N 0 1 390.451 1.684 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573617405 947637244 /nfs/dbraw/zinc/63/72/44/947637244.db2.gz OZOXUOXZFKCGKX-KBPBESRZSA-N 0 1 381.440 1.943 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573355849 947644937 /nfs/dbraw/zinc/64/49/37/947644937.db2.gz QWAHPIFQPWRLSB-AWEZNQCLSA-N 0 1 376.424 1.556 20 0 GDADMN C/C(=C/C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21)C1CC1 ZINC001573361615 947693710 /nfs/dbraw/zinc/69/37/10/947693710.db2.gz CMKIZTFMMITDML-PRTVGRRQSA-N 0 1 391.888 1.884 20 0 GDADMN C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cnn(C)c1 ZINC001573625974 947704287 /nfs/dbraw/zinc/70/42/87/947704287.db2.gz RBNOIQHDWWSREI-AAEUAGOBSA-N 0 1 386.485 1.156 20 0 GDADMN C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001573625974 947704298 /nfs/dbraw/zinc/70/42/98/947704298.db2.gz RBNOIQHDWWSREI-AAEUAGOBSA-N 0 1 386.485 1.156 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573628320 947753967 /nfs/dbraw/zinc/75/39/67/947753967.db2.gz KTBVCJGSJNKIAM-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN CC(C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)=C1CCC1 ZINC001573629311 947778240 /nfs/dbraw/zinc/77/82/40/947778240.db2.gz NXZNEXLOHUVYMD-CQSZACIVSA-N 0 1 382.472 1.620 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573374151 947805518 /nfs/dbraw/zinc/80/55/18/947805518.db2.gz NADCVJJOKKGXJT-BLLLJJGKSA-N 0 1 385.472 1.400 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573374638 947811373 /nfs/dbraw/zinc/81/13/73/947811373.db2.gz KOMCOMBTQJXDGG-ZFWWWQNUSA-N 0 1 385.472 1.803 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573376680 947840849 /nfs/dbraw/zinc/84/08/49/947840849.db2.gz BIMOWSLMOGOTGM-CYBMUJFWSA-N 0 1 376.486 1.768 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573376680 947840855 /nfs/dbraw/zinc/84/08/55/947840855.db2.gz BIMOWSLMOGOTGM-CYBMUJFWSA-N 0 1 376.486 1.768 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(C)(F)F ZINC001573638833 947843388 /nfs/dbraw/zinc/84/33/88/947843388.db2.gz WUKDGJSHPHXVKU-SDDRHHMPSA-N 0 1 392.414 1.375 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573378294 947854238 /nfs/dbraw/zinc/85/42/38/947854238.db2.gz YHVQGVZDAHOAFW-ZIAGYGMSSA-N 0 1 386.460 1.137 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573383470 947892518 /nfs/dbraw/zinc/89/25/18/947892518.db2.gz SDSUNIOEOSGCPD-CQSZACIVSA-N 0 1 388.447 1.703 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C(F)(F)F ZINC001573647442 947893877 /nfs/dbraw/zinc/89/38/77/947893877.db2.gz LGUKIKJOQPUPIB-GARJFASQSA-N 0 1 381.362 1.355 20 0 GDADMN C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573654283 947966377 /nfs/dbraw/zinc/96/63/77/947966377.db2.gz QLTRYQOZMPGFDZ-JQWIXIFHSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573654705 947970431 /nfs/dbraw/zinc/97/04/31/947970431.db2.gz SWYOKSZWRAQMRA-RBZFPXEDSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573656351 947987785 /nfs/dbraw/zinc/98/77/85/947987785.db2.gz DYZDPFAOGJYDEF-BBRMVZONSA-N 0 1 385.472 1.552 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826344572 948008903 /nfs/dbraw/zinc/00/89/03/948008903.db2.gz LKIJOMNYZQQLQE-AWEZNQCLSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826344572 948008906 /nfs/dbraw/zinc/00/89/06/948008906.db2.gz LKIJOMNYZQQLQE-AWEZNQCLSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1-c1nnn[n-]1 ZINC000826346371 948038080 /nfs/dbraw/zinc/03/80/80/948038080.db2.gz KYQIKXTXSHNQDF-HNNXBMFYSA-N 0 1 375.477 1.578 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1-c1nn[n-]n1 ZINC000826346371 948038090 /nfs/dbraw/zinc/03/80/90/948038090.db2.gz KYQIKXTXSHNQDF-HNNXBMFYSA-N 0 1 375.477 1.578 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346903 948045350 /nfs/dbraw/zinc/04/53/50/948045350.db2.gz YPIRJQHONSZZOF-TXEJJXNPSA-N 0 1 375.477 1.578 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346903 948045359 /nfs/dbraw/zinc/04/53/59/948045359.db2.gz YPIRJQHONSZZOF-TXEJJXNPSA-N 0 1 375.477 1.578 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346903 948045368 /nfs/dbraw/zinc/04/53/68/948045368.db2.gz YPIRJQHONSZZOF-TXEJJXNPSA-N 0 1 375.477 1.578 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346903 948045379 /nfs/dbraw/zinc/04/53/79/948045379.db2.gz YPIRJQHONSZZOF-TXEJJXNPSA-N 0 1 375.477 1.578 20 0 GDADMN C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(F)F ZINC001573664338 948054066 /nfs/dbraw/zinc/05/40/66/948054066.db2.gz TYGLOEBEBQEKPJ-AGKHESDQSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H](C(=O)NC1CC2(C1)CC(Nc1ccncc1-c1nn[nH]n1)C2)C1CCC1 ZINC001573665264 948069430 /nfs/dbraw/zinc/06/94/30/948069430.db2.gz JZAQLNSEEBGONV-FDTFQXLHSA-N 0 1 381.484 1.959 20 0 GDADMN C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573666457 948086864 /nfs/dbraw/zinc/08/68/64/948086864.db2.gz TXYLXMRMPAFRLV-FUDCBSFHSA-N 0 1 384.488 1.955 20 0 GDADMN C[C@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573680373 948178653 /nfs/dbraw/zinc/17/86/53/948178653.db2.gz NMCUTSAQFQSTPA-FZMZJTMJSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573681935 948217000 /nfs/dbraw/zinc/21/70/00/948217000.db2.gz ZHHHFKATVQCXJQ-YPMHNXCESA-N 0 1 378.452 1.255 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1)[C@@H]1CCCO1 ZINC001573690833 948230367 /nfs/dbraw/zinc/23/03/67/948230367.db2.gz BXOVFMMEAYAULM-JSGCOSHPSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1)[C@@H]1CCCO1 ZINC001573690833 948230378 /nfs/dbraw/zinc/23/03/78/948230378.db2.gz BXOVFMMEAYAULM-JSGCOSHPSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573692222 948258469 /nfs/dbraw/zinc/25/84/69/948258469.db2.gz NCOGECLUIKWJOY-FZMZJTMJSA-N 0 1 378.452 1.255 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)C(F)(F)F ZINC001573692610 948269115 /nfs/dbraw/zinc/26/91/15/948269115.db2.gz RCZZOIVBENEKNE-VIFPVBQESA-N 0 1 384.366 1.118 20 0 GDADMN C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573704847 948385363 /nfs/dbraw/zinc/38/53/63/948385363.db2.gz BEOHUPCJNYPFRG-CYBMUJFWSA-N 0 1 384.488 1.603 20 0 GDADMN C[C@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573705512 948402985 /nfs/dbraw/zinc/40/29/85/948402985.db2.gz FSJWPGHHDMJXAX-XJKSGUPXSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573706125 948413415 /nfs/dbraw/zinc/41/34/15/948413415.db2.gz YTIMBGZKIIQAHQ-UNXYVOJBSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](CCNC(=O)[C@@H](C)c1ccccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001573718940 948520645 /nfs/dbraw/zinc/52/06/45/948520645.db2.gz VCPGZHZFSNSAHT-STQMWFEESA-N 0 1 383.431 1.933 20 0 GDADMN C[C@H](C(=O)NCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001573721037 948537860 /nfs/dbraw/zinc/53/78/60/948537860.db2.gz VOOMKGZNRMJWGC-HNNXBMFYSA-N 0 1 383.500 1.147 20 0 GDADMN CC(F)(F)C1(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575221763 948752371 /nfs/dbraw/zinc/75/23/71/948752371.db2.gz CFAAIPJBOAGAND-LLVKDONJSA-N 0 1 377.399 1.379 20 0 GDADMN CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)c1 ZINC001574417466 948769797 /nfs/dbraw/zinc/76/97/97/948769797.db2.gz OKJXSSJHIYYMNJ-OAHLLOKOSA-N 0 1 381.440 1.010 20 0 GDADMN C[C@H](C(=O)Nc1cnn([C@@H](C)c2ccccc2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755674 948780261 /nfs/dbraw/zinc/78/02/61/948780261.db2.gz SDIMYDRIGCHXDO-NWDGAFQWSA-N 0 1 378.400 1.464 20 0 GDADMN C[C@H](CNC(=O)CCc1ccon1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574917324 948814078 /nfs/dbraw/zinc/81/40/78/948814078.db2.gz WPEUBNHGUBDSIK-SSDOTTSWSA-N 0 1 382.837 1.514 20 0 GDADMN C[C@@H](CNC(=O)CCCn1cccc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917730 948822101 /nfs/dbraw/zinc/82/21/01/948822101.db2.gz ABKVLGMVGYBCTE-AWEZNQCLSA-N 0 1 385.447 1.882 20 0 GDADMN C[C@H](CNC(=O)CCCn1cccc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574918159 948834733 /nfs/dbraw/zinc/83/47/33/948834733.db2.gz GLUJSXRUKPNZBR-CQSZACIVSA-N 0 1 385.447 1.882 20 0 GDADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CCc1cnc[nH]1 ZINC001574684381 948866521 /nfs/dbraw/zinc/86/65/21/948866521.db2.gz FARBGIQNLTWTNS-JTQLQIEISA-N 0 1 389.851 1.578 20 0 GDADMN C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574919244 948873962 /nfs/dbraw/zinc/87/39/62/948873962.db2.gz XFJAPQAZQBOLNH-ZDUSSCGKSA-N 0 1 381.444 1.016 20 0 GDADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H]1CCCCN1C ZINC001574684917 948895772 /nfs/dbraw/zinc/89/57/72/948895772.db2.gz PEANZCPMJHONAL-FZMZJTMJSA-N 0 1 392.895 1.706 20 0 GDADMN CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573765169 948900150 /nfs/dbraw/zinc/90/01/50/948900150.db2.gz VQOWLNZILOOOOD-KGLIPLIRSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C1CCOCC1 ZINC001574685456 948911557 /nfs/dbraw/zinc/91/15/57/948911557.db2.gz WTNLYRFQEFNYSR-MRVPVSSYSA-N 0 1 385.881 1.710 20 0 GDADMN CC(F)(F)CCC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575235168 948912550 /nfs/dbraw/zinc/91/25/50/948912550.db2.gz KHUIMKOMVPUVMQ-UHFFFAOYSA-N 0 1 380.403 1.165 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[NH+]1CCCC1 ZINC001574685654 948913612 /nfs/dbraw/zinc/91/36/12/948913612.db2.gz YMPVWLWLDMTHCS-SECBINFHSA-N 0 1 384.897 1.379 20 0 GDADMN CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001574088328 948917388 /nfs/dbraw/zinc/91/73/88/948917388.db2.gz AWTZSRRHZQKUKF-VWPFQQQWSA-N 0 1 385.472 1.194 20 0 GDADMN CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575236097 948933963 /nfs/dbraw/zinc/93/39/63/948933963.db2.gz VSAWMXQWLVAPQM-GTNSWQLSSA-N 0 1 392.414 1.710 20 0 GDADMN CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CC1 ZINC001573771445 948942648 /nfs/dbraw/zinc/94/26/48/948942648.db2.gz HRHOFRUADFYTPJ-AWEZNQCLSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573771660 948945219 /nfs/dbraw/zinc/94/52/19/948945219.db2.gz KHZBVLPVJCVUMY-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574439875 949016076 /nfs/dbraw/zinc/01/60/76/949016076.db2.gz LCKBNPAUCMWBPS-SNVBAGLBSA-N 0 1 387.473 1.231 20 0 GDADMN CC(C)(C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001573774782 949023397 /nfs/dbraw/zinc/02/33/97/949023397.db2.gz VUVWVBNANLNASR-AWEZNQCLSA-N 0 1 387.488 1.179 20 0 GDADMN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573775011 949027951 /nfs/dbraw/zinc/02/79/51/949027951.db2.gz RQBXDKQEYWKCHP-QMMMGPOBSA-N 0 1 392.407 1.083 20 0 GDADMN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573775011 949027966 /nfs/dbraw/zinc/02/79/66/949027966.db2.gz RQBXDKQEYWKCHP-QMMMGPOBSA-N 0 1 392.407 1.083 20 0 GDADMN CC(C)c1nocc1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001574441018 949046258 /nfs/dbraw/zinc/04/62/58/949046258.db2.gz AFFXBDSNCHQWOT-UHFFFAOYSA-N 0 1 382.428 1.560 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573779017 949052985 /nfs/dbraw/zinc/05/29/85/949052985.db2.gz CKAHSTOGICRQQR-JTQLQIEISA-N 0 1 383.378 1.793 20 0 GDADMN Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000364107193 971539532 /nfs/dbraw/zinc/53/95/32/971539532.db2.gz YDNAHNDHQPBIQU-UHFFFAOYSA-N 0 1 376.394 1.654 20 0 GDADMN CC(C)c1nocc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574442025 949090459 /nfs/dbraw/zinc/09/04/59/949090459.db2.gz JWNOFNCJDGWFRG-LLVKDONJSA-N 0 1 383.416 1.119 20 0 GDADMN C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249435 949099098 /nfs/dbraw/zinc/09/90/98/949099098.db2.gz BUOYGFKCIQOGFZ-STQMWFEESA-N 0 1 387.492 1.226 20 0 GDADMN C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249435 949099118 /nfs/dbraw/zinc/09/91/18/949099118.db2.gz BUOYGFKCIQOGFZ-STQMWFEESA-N 0 1 387.492 1.226 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575504950 949099634 /nfs/dbraw/zinc/09/96/34/949099634.db2.gz ZSHMHZCPAUNVCF-OLZOCXBDSA-N 0 1 382.428 1.065 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574695160 949103723 /nfs/dbraw/zinc/10/37/23/949103723.db2.gz CYWSIQDTMHSSDN-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574695160 949103730 /nfs/dbraw/zinc/10/37/30/949103730.db2.gz CYWSIQDTMHSSDN-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574695160 949103735 /nfs/dbraw/zinc/10/37/35/949103735.db2.gz CYWSIQDTMHSSDN-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574695160 949103743 /nfs/dbraw/zinc/10/37/43/949103743.db2.gz CYWSIQDTMHSSDN-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCC1 ZINC001573781627 949113011 /nfs/dbraw/zinc/11/30/11/949113011.db2.gz LDOQNWSUVBMYHO-OTVXOJSOSA-N 0 1 384.488 1.443 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602793010 971551960 /nfs/dbraw/zinc/55/19/60/971551960.db2.gz MNXWOACWXUQYIF-OWCLPIDISA-N 0 1 376.453 1.908 20 0 GDADMN CC(C)(C(=O)NCc1nnc([C@H]2CCOC2)[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC001573782812 949132155 /nfs/dbraw/zinc/13/21/55/949132155.db2.gz KKJZECBALLFFGP-LBPRGKRZSA-N 0 1 382.428 1.083 20 0 GDADMN CC(C)c1occc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446437 949132121 /nfs/dbraw/zinc/13/21/21/949132121.db2.gz PYLPEQMJRHGRNM-LBPRGKRZSA-N 0 1 382.428 1.512 20 0 GDADMN CC(C)c1occc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574446591 949134531 /nfs/dbraw/zinc/13/45/31/949134531.db2.gz SCFKKKKALQSKLT-UHFFFAOYSA-N 0 1 382.428 1.772 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574447666 949168896 /nfs/dbraw/zinc/16/88/96/949168896.db2.gz WNYZHHFOJURLSS-CQSZACIVSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@H](CNC(=O)COc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574934812 949178283 /nfs/dbraw/zinc/17/82/83/949178283.db2.gz ROIULLLNFLRALK-LLVKDONJSA-N 0 1 390.444 1.741 20 0 GDADMN C[C@H](CNC(=O)COc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574934812 949178291 /nfs/dbraw/zinc/17/82/91/949178291.db2.gz ROIULLLNFLRALK-LLVKDONJSA-N 0 1 390.444 1.741 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)c1cccc(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698318 949187309 /nfs/dbraw/zinc/18/73/09/949187309.db2.gz JAQQUILJIKKKSL-VXGBXAGGSA-N 0 1 384.419 1.280 20 0 GDADMN C[C@H](NC(=O)[C@H](C)n1cccc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254466 949203776 /nfs/dbraw/zinc/20/37/76/949203776.db2.gz WCDDWNLMGJDDDB-GJZGRUSLSA-N 0 1 379.468 1.866 20 0 GDADMN C[C@@H](c1cnccn1)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575516706 949216965 /nfs/dbraw/zinc/21/69/65/949216965.db2.gz QYKXEVBKPZLJSV-QWHCGFSZSA-N 0 1 381.444 1.282 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1 ZINC001589604295 949220245 /nfs/dbraw/zinc/22/02/45/949220245.db2.gz ALQQQAHGLTWDIP-SFHVURJKSA-N 0 1 397.497 1.418 20 0 GDADMN C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576151509 949224583 /nfs/dbraw/zinc/22/45/83/949224583.db2.gz GCRIOWRJWBYOCH-BYNSBNAKSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575517211 949229539 /nfs/dbraw/zinc/22/95/39/949229539.db2.gz UTTHAPVTPAGYMZ-GXTWGEPZSA-N 0 1 381.444 1.330 20 0 GDADMN C[C@@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575257328 949273229 /nfs/dbraw/zinc/27/32/29/949273229.db2.gz ZYZSUXLOTOUDSL-XIKOKIGWSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccoc1 ZINC001576153741 949297709 /nfs/dbraw/zinc/29/77/09/949297709.db2.gz AMINPLMAUODZQM-KPZWWZAWSA-N 0 1 382.428 1.462 20 0 GDADMN CC(C)(C)C(=O)N1CCCO[C@@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573794187 949309827 /nfs/dbraw/zinc/30/98/27/949309827.db2.gz CFVHQDKIBLSPDC-HNNXBMFYSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)n1ccc(C(=O)NCCN(C)Cc2cc(F)ccc2-c2nn[nH]n2)n1 ZINC001574457225 949315824 /nfs/dbraw/zinc/31/58/24/949315824.db2.gz CIMIFKCYBZWYRI-UHFFFAOYSA-N 0 1 386.435 1.645 20 0 GDADMN CC1(C(=O)N(CCNc2ccnc(-c3nn[nH]n3)n2)Cc2ccccc2)CCC1 ZINC001575524430 949316805 /nfs/dbraw/zinc/31/68/05/949316805.db2.gz IRYYFCUXLBVSOR-UHFFFAOYSA-N 0 1 392.467 1.710 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@]1(C)CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703356 949321663 /nfs/dbraw/zinc/32/16/63/949321663.db2.gz UTUBPJNSKQDAGU-XIKOKIGWSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575259925 949344372 /nfs/dbraw/zinc/34/43/72/949344372.db2.gz SLQOBMZVDNAOEN-VHSXEESVSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)n1cccc1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574460394 949372662 /nfs/dbraw/zinc/37/26/62/949372662.db2.gz UFSFNXMYQYUOIA-CYBMUJFWSA-N 0 1 381.444 1.390 20 0 GDADMN C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001575528394 949401864 /nfs/dbraw/zinc/40/18/64/949401864.db2.gz UVLAATXJAYFTQS-QKLQHJQFSA-N 0 1 382.468 1.469 20 0 GDADMN C[C@H](NC(=O)[C@H]1CCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264396 949426196 /nfs/dbraw/zinc/42/61/96/949426196.db2.gz NYTFRCKWBCCMMF-SMDDNHRTSA-N 0 1 376.486 1.434 20 0 GDADMN C[C@@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574946689 949439832 /nfs/dbraw/zinc/43/98/32/949439832.db2.gz XKJWOMXZVBIQDC-JTQLQIEISA-N 0 1 375.433 1.299 20 0 GDADMN C[C@@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574946689 949439847 /nfs/dbraw/zinc/43/98/47/949439847.db2.gz XKJWOMXZVBIQDC-JTQLQIEISA-N 0 1 375.433 1.299 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[NH+](C)C ZINC001576156376 949440052 /nfs/dbraw/zinc/44/00/52/949440052.db2.gz MNXINCLLHZKMFG-ACJLOTCBSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[NH+](C)C ZINC001576156376 949440069 /nfs/dbraw/zinc/44/00/69/949440069.db2.gz MNXINCLLHZKMFG-ACJLOTCBSA-N 0 1 387.492 1.085 20 0 GDADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001589622911 949440021 /nfs/dbraw/zinc/44/00/21/949440021.db2.gz NTYMOXUYHDBQII-CVEARBPZSA-N 0 1 396.532 1.652 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1=CCCC1 ZINC001576156577 949449035 /nfs/dbraw/zinc/44/90/35/949449035.db2.gz NDQXWCNFYOWNCY-DJJJIMSYSA-N 0 1 382.472 1.666 20 0 GDADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@](COC)(C(=O)[O-])C2)C1 ZINC001589623738 949449621 /nfs/dbraw/zinc/44/96/21/949449621.db2.gz YFTLLJUJGDIEGE-HNAYVOBHSA-N 0 1 385.505 1.399 20 0 GDADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)C1 ZINC001589623736 949449966 /nfs/dbraw/zinc/44/99/66/949449966.db2.gz YFTLLJUJGDIEGE-BEFAXECRSA-N 0 1 385.505 1.399 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574707854 949479766 /nfs/dbraw/zinc/47/97/66/949479766.db2.gz RDSWFWQWGLPHDA-BBRMVZONSA-N 0 1 392.467 1.458 20 0 GDADMN CC1(C(=O)N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)CCOCC1 ZINC001575537178 949488909 /nfs/dbraw/zinc/48/89/09/949488909.db2.gz SQOJBNSVJSRRRX-HNNXBMFYSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)c1cnn[nH]1 ZINC001576158085 949490138 /nfs/dbraw/zinc/49/01/38/949490138.db2.gz RXEDZVGYQUJJKB-APPDUMDISA-N 0 1 382.432 1.171 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576158815 949506532 /nfs/dbraw/zinc/50/65/32/949506532.db2.gz UTJWZUCGKMWLOK-KBPBESRZSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[NH+](C)C ZINC001576159004 949509839 /nfs/dbraw/zinc/50/98/39/949509839.db2.gz VRZRLFAIPCUAPE-FZKQIMNGSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[NH+](C)C ZINC001576159004 949509857 /nfs/dbraw/zinc/50/98/57/949509857.db2.gz VRZRLFAIPCUAPE-FZKQIMNGSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001576159052 949510632 /nfs/dbraw/zinc/51/06/32/949510632.db2.gz WBUNAUZGZSFCDA-ZIAGYGMSSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575871857 949526281 /nfs/dbraw/zinc/52/62/81/949526281.db2.gz CNTPTQWXBKDAHS-MLGOLLRUSA-N 0 1 390.463 1.636 20 0 GDADMN CC(C)CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001574122626 949531560 /nfs/dbraw/zinc/53/15/60/949531560.db2.gz ZCFQAUBGNKAACN-CYBMUJFWSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)[C@H](C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1)[NH+](C)C ZINC001574950428 949538555 /nfs/dbraw/zinc/53/85/55/949538555.db2.gz OMPQLJLAFYHIHY-DTWKUNHWSA-N 0 1 386.913 1.479 20 0 GDADMN CC(C)[C@H](C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1)[NH+](C)C ZINC001574950428 949538569 /nfs/dbraw/zinc/53/85/69/949538569.db2.gz OMPQLJLAFYHIHY-DTWKUNHWSA-N 0 1 386.913 1.479 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574712251 949574526 /nfs/dbraw/zinc/57/45/26/949574526.db2.gz RDZDEBCQMKEFCU-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574712251 949574536 /nfs/dbraw/zinc/57/45/36/949574536.db2.gz RDZDEBCQMKEFCU-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574712251 949574546 /nfs/dbraw/zinc/57/45/46/949574546.db2.gz RDZDEBCQMKEFCU-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574712251 949574555 /nfs/dbraw/zinc/57/45/55/949574555.db2.gz RDZDEBCQMKEFCU-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574712252 949575180 /nfs/dbraw/zinc/57/51/80/949575180.db2.gz RDZDEBCQMKEFCU-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574712252 949575201 /nfs/dbraw/zinc/57/52/01/949575201.db2.gz RDZDEBCQMKEFCU-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574712252 949575216 /nfs/dbraw/zinc/57/52/16/949575216.db2.gz RDZDEBCQMKEFCU-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574712252 949575235 /nfs/dbraw/zinc/57/52/35/949575235.db2.gz RDZDEBCQMKEFCU-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873289 949576707 /nfs/dbraw/zinc/57/67/07/949576707.db2.gz AVCRBUBVAIFVAB-ZIAGYGMSSA-N 0 1 381.444 1.022 20 0 GDADMN C[C@@H](NC(=O)CC1(c2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270231 949582414 /nfs/dbraw/zinc/58/24/14/949582414.db2.gz YWFPFDDYSUMKBI-UONOGXRCSA-N 0 1 392.467 1.506 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576167201 949603674 /nfs/dbraw/zinc/60/36/74/949603674.db2.gz PIZMBRTWJKFYNI-DYVFJYSZSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575876122 949640063 /nfs/dbraw/zinc/64/00/63/949640063.db2.gz JDSUOHXIVACXCY-GXTWGEPZSA-N 0 1 386.460 1.089 20 0 GDADMN C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575876127 949640753 /nfs/dbraw/zinc/64/07/53/949640753.db2.gz JDSUOHXIVACXCY-JSGCOSHPSA-N 0 1 386.460 1.089 20 0 GDADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1nccs1 ZINC001576169011 949658580 /nfs/dbraw/zinc/65/85/80/949658580.db2.gz DKYRSVSRWODQHM-SMDDNHRTSA-N 0 1 386.485 1.682 20 0 GDADMN CC1(C(=O)N2CCOC3(CCN(c4ccncc4-c4nn[nH]n4)CC3)C2)CC1 ZINC001575548168 949658902 /nfs/dbraw/zinc/65/89/02/949658902.db2.gz SNWNNHGCLTZQPR-UHFFFAOYSA-N 0 1 383.456 1.260 20 0 GDADMN C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCO1 ZINC001574477967 949688693 /nfs/dbraw/zinc/68/86/93/949688693.db2.gz WNSKLPQRRDMYMQ-KBPBESRZSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170150 949710167 /nfs/dbraw/zinc/71/01/67/949710167.db2.gz JJXZMXVROOKSRD-KGLIPLIRSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170150 949710181 /nfs/dbraw/zinc/71/01/81/949710181.db2.gz JJXZMXVROOKSRD-KGLIPLIRSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001574478842 949723650 /nfs/dbraw/zinc/72/36/50/949723650.db2.gz BJIGVWAGJCSJJM-SUMWQHHRSA-N 0 1 385.472 1.292 20 0 GDADMN C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575277171 949741003 /nfs/dbraw/zinc/74/10/03/949741003.db2.gz OLIABDNHOKWVBZ-QWHCGFSZSA-N 0 1 383.431 1.761 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574480933 949762245 /nfs/dbraw/zinc/76/22/45/949762245.db2.gz LOVLQSKHCVUJEQ-CHWSQXEVSA-N 0 1 382.428 1.481 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171508 949765650 /nfs/dbraw/zinc/76/56/50/949765650.db2.gz RNKQKZQFYIPRBD-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574964814 949786979 /nfs/dbraw/zinc/78/69/79/949786979.db2.gz ABGSYBBLRNZSLC-ACZMJKKPSA-N 0 1 391.835 1.819 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC2CC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172119 949794372 /nfs/dbraw/zinc/79/43/72/949794372.db2.gz VGFFLRFIXSABNM-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575561035 949801396 /nfs/dbraw/zinc/80/13/96/949801396.db2.gz XRTKJGLPRXXYTF-MFGLSYLJSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575561035 949801414 /nfs/dbraw/zinc/80/14/14/949801414.db2.gz XRTKJGLPRXXYTF-MFGLSYLJSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@H](CN(C)C(=O)CCCc1cccs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720664 949801520 /nfs/dbraw/zinc/80/15/20/949801520.db2.gz FXGFKRFLWCPVDB-GFCCVEGCSA-N 0 1 386.485 1.422 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574965851 949822137 /nfs/dbraw/zinc/82/21/37/949822137.db2.gz NLAMDFMVNULVSJ-VIFPVBQESA-N 0 1 375.795 1.707 20 0 GDADMN CC(C)(C)[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)c1cnn[nH]1 ZINC001573823318 949826592 /nfs/dbraw/zinc/82/65/92/949826592.db2.gz USYQELCPRJFLBX-NSHDSACASA-N 0 1 390.839 1.290 20 0 GDADMN C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001576173766 949843139 /nfs/dbraw/zinc/84/31/39/949843139.db2.gz YSIQKXHWAMVTQH-APIJFGDWSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575885042 949860833 /nfs/dbraw/zinc/86/08/33/949860833.db2.gz KCODRABMTMUSSB-MWLCHTKSSA-N 0 1 387.835 1.426 20 0 GDADMN CC1(C(=O)N[C@H]2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575565788 949889406 /nfs/dbraw/zinc/88/94/06/949889406.db2.gz YKHIENLTMQTQMD-KGLIPLIRSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575565982 949889853 /nfs/dbraw/zinc/88/98/53/949889853.db2.gz ZICCGWXDNDAROP-FXAWDEMLSA-N 0 1 384.484 1.764 20 0 GDADMN CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574143381 949891000 /nfs/dbraw/zinc/89/10/00/949891000.db2.gz GVJDSMHWKWZXSY-CQSZACIVSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574484648 949891596 /nfs/dbraw/zinc/89/15/96/949891596.db2.gz LFHOKGUOOAPSEY-ZJUUUORDSA-N 0 1 384.366 1.070 20 0 GDADMN CC1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CC(F)(F)C1 ZINC001575570080 949934594 /nfs/dbraw/zinc/93/45/94/949934594.db2.gz PAWXQXATFYVJBZ-CQSZACIVSA-N 0 1 376.411 1.993 20 0 GDADMN C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CC1 ZINC001574487743 949936316 /nfs/dbraw/zinc/93/63/16/949936316.db2.gz BQMZFRUBUXTTRZ-IUODEOHRSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576181247 949992211 /nfs/dbraw/zinc/99/22/11/949992211.db2.gz SGIZOQVVNFWQHM-ZIAGYGMSSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccn[nH]1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574728706 950002924 /nfs/dbraw/zinc/00/29/24/950002924.db2.gz HVJOKAQKJQZVPZ-ZETCQYMHSA-N 0 1 381.853 1.201 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccn[nH]1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574729447 950022248 /nfs/dbraw/zinc/02/22/48/950022248.db2.gz NSTSJYUHKQBDJZ-SECBINFHSA-N 0 1 375.824 1.140 20 0 GDADMN C[C@@H]1CCN(C(=O)CCC2(C)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182022 950036070 /nfs/dbraw/zinc/03/60/70/950036070.db2.gz KMQRZMCZGIWOAX-KGLIPLIRSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)C[C@@H](O)c1ccccc1F ZINC001574975672 950040154 /nfs/dbraw/zinc/04/01/54/950040154.db2.gz YDMBQUYDEHVISG-MEDUHNTESA-N 0 1 387.419 1.118 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182381 950052874 /nfs/dbraw/zinc/05/28/74/950052874.db2.gz OHCOSFZFAZOVPE-CXAGYDPISA-N 0 1 378.440 1.431 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574732265 950069184 /nfs/dbraw/zinc/06/91/84/950069184.db2.gz IBHFKZNURGXHII-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574732265 950069194 /nfs/dbraw/zinc/06/91/94/950069194.db2.gz IBHFKZNURGXHII-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001574492390 950081215 /nfs/dbraw/zinc/08/12/15/950081215.db2.gz ANXVZSGXBNZHMG-DZGCQCFKSA-N 0 1 387.488 1.179 20 0 GDADMN CC1(C(=O)NC[C@@]2(O)CCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001575582004 950095575 /nfs/dbraw/zinc/09/55/75/950095575.db2.gz BIEUWTDJPCJWMA-IBGZPJMESA-N 0 1 388.447 1.249 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574492639 950096836 /nfs/dbraw/zinc/09/68/36/950096836.db2.gz NWKPIPGBFCXPCC-UONOGXRCSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183667 950097574 /nfs/dbraw/zinc/09/75/74/950097574.db2.gz SFUIXULIUXRJML-CXAGYDPISA-N 0 1 378.440 1.431 20 0 GDADMN CC(C)(C)CC(=O)NCC[NH+]1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573839144 950124680 /nfs/dbraw/zinc/12/46/80/950124680.db2.gz MCBYODBWKRXJON-UHFFFAOYSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575896811 950134814 /nfs/dbraw/zinc/13/48/14/950134814.db2.gz NRXGOMSWJKCJNC-FZMZJTMJSA-N 0 1 386.485 1.445 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576185021 950150511 /nfs/dbraw/zinc/15/05/11/950150511.db2.gz YSXFPGMIXYVILX-RISCZKNCSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576185021 950150529 /nfs/dbraw/zinc/15/05/29/950150529.db2.gz YSXFPGMIXYVILX-RISCZKNCSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001574494270 950160229 /nfs/dbraw/zinc/16/02/29/950160229.db2.gz JNCOMBZCMIGJSA-RKDXNWHRSA-N 0 1 392.407 1.083 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1C(C)(C)C1(C)C ZINC001574154088 950165390 /nfs/dbraw/zinc/16/53/90/950165390.db2.gz BCBOMLKZQONKHL-GFCCVEGCSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574494661 950173820 /nfs/dbraw/zinc/17/38/20/950173820.db2.gz MLHFMHOQRRRXTE-KBPBESRZSA-N 0 1 380.456 1.791 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575900932 950212357 /nfs/dbraw/zinc/21/23/57/950212357.db2.gz JSSKIJDJNZFSQA-MWLCHTKSSA-N 0 1 388.432 1.645 20 0 GDADMN CC(C)(C)CCN1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001573845172 950218712 /nfs/dbraw/zinc/21/87/12/950218712.db2.gz UATNNLFDOXOSRL-CYBMUJFWSA-N 0 1 387.488 1.594 20 0 GDADMN CC1(C(=O)NCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCOCC1 ZINC001575588806 950257810 /nfs/dbraw/zinc/25/78/10/950257810.db2.gz TUSRUYRXDYOAHU-UHFFFAOYSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192700 950260446 /nfs/dbraw/zinc/26/04/46/950260446.db2.gz QBXUJEINWKVDIB-NEPJUHHUSA-N 0 1 384.469 1.350 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cncs1 ZINC001574158132 950271742 /nfs/dbraw/zinc/27/17/42/950271742.db2.gz ONNJXIKGVSCCIN-GFCCVEGCSA-N 0 1 386.485 1.326 20 0 GDADMN CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)Nc2c[nH]nc2-c2nn[nH]n2)CO1 ZINC001573850919 950282996 /nfs/dbraw/zinc/28/29/96/950282996.db2.gz OZWLBYQXXSVJBT-ZJUUUORDSA-N 0 1 377.405 1.055 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)COCC(F)F ZINC001575906029 950302463 /nfs/dbraw/zinc/30/24/63/950302463.db2.gz GBXPVCSXMRAVOB-GXSJLCMTSA-N 0 1 386.428 1.289 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)COCC(F)F ZINC001575906029 950302474 /nfs/dbraw/zinc/30/24/74/950302474.db2.gz GBXPVCSXMRAVOB-GXSJLCMTSA-N 0 1 386.428 1.289 20 0 GDADMN C[C@@H](CC(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574499451 950302770 /nfs/dbraw/zinc/30/27/70/950302770.db2.gz VRIQGZARWNJWBL-ORAYPTAESA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159719 950315527 /nfs/dbraw/zinc/31/55/27/950315527.db2.gz YHDKURXZDNRAID-CZUORRHYSA-N 0 1 389.508 1.186 20 0 GDADMN CC1(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575594561 950336527 /nfs/dbraw/zinc/33/65/27/950336527.db2.gz KTSZLYXOALQPCE-UHFFFAOYSA-N 0 1 376.411 1.850 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908244 950356236 /nfs/dbraw/zinc/35/62/36/950356236.db2.gz SYVFOHKYPXRNKE-BXUZGUMPSA-N 0 1 387.469 1.628 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908244 950356259 /nfs/dbraw/zinc/35/62/59/950356259.db2.gz SYVFOHKYPXRNKE-BXUZGUMPSA-N 0 1 387.469 1.628 20 0 GDADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263310627 950361066 /nfs/dbraw/zinc/36/10/66/950361066.db2.gz HXKLQUINABKYAD-FGTMMUONSA-N 0 1 388.512 1.949 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)C1 ZINC001576197256 950385031 /nfs/dbraw/zinc/38/50/31/950385031.db2.gz MEMFNXAPYAOYIG-CJNGLKHVSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)C1 ZINC001576197256 950385050 /nfs/dbraw/zinc/38/50/50/950385050.db2.gz MEMFNXAPYAOYIG-CJNGLKHVSA-N 0 1 384.488 1.252 20 0 GDADMN CC(C)CC1(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162700 950395114 /nfs/dbraw/zinc/39/51/14/950395114.db2.gz HCTCMTPBSJLXDM-CQSZACIVSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(C)OC(=O)NCCN(CCO)CCOc1ccccc1-c1nn[nH]n1 ZINC001573861270 950447023 /nfs/dbraw/zinc/44/70/23/950447023.db2.gz WCWCNEJUVYFCFF-UHFFFAOYSA-N 0 1 392.460 1.065 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574507405 950453162 /nfs/dbraw/zinc/45/31/62/950453162.db2.gz IFTCLGTWZDEDCU-WVZRYYJFSA-N 0 1 385.472 1.196 20 0 GDADMN C[C@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)c1cccc2n[nH]cc21 ZINC001575912545 950465664 /nfs/dbraw/zinc/46/56/64/950465664.db2.gz GZVSOEUBXPYPFS-XHDPSFHLSA-N 0 1 389.423 1.853 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(F)ccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751976 950469804 /nfs/dbraw/zinc/46/98/04/950469804.db2.gz SJCZOIHKIMJIHK-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)CCC1 ZINC001574166676 950471181 /nfs/dbraw/zinc/47/11/81/950471181.db2.gz VOFIFVSTFLVDHS-AWEZNQCLSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205132 950497903 /nfs/dbraw/zinc/49/79/03/950497903.db2.gz VCTCEHXFHMRGSM-DJJJIMSYSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205132 950497905 /nfs/dbraw/zinc/49/79/05/950497905.db2.gz VCTCEHXFHMRGSM-DJJJIMSYSA-N 0 1 387.463 1.433 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575608668 950515637 /nfs/dbraw/zinc/51/56/37/950515637.db2.gz QFWHJZFFEMAERD-HAQNSBGRSA-N 0 1 376.486 1.482 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575608668 950515659 /nfs/dbraw/zinc/51/56/59/950515659.db2.gz QFWHJZFFEMAERD-HAQNSBGRSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001576205421 950518295 /nfs/dbraw/zinc/51/82/95/950518295.db2.gz ITGUSMGWFIOKIG-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576205421 950518338 /nfs/dbraw/zinc/51/83/38/950518338.db2.gz ITGUSMGWFIOKIG-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576205421 950518354 /nfs/dbraw/zinc/51/83/54/950518354.db2.gz ITGUSMGWFIOKIG-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576205893 950545921 /nfs/dbraw/zinc/54/59/21/950545921.db2.gz QZLQFCQJUQYOFG-KBPBESRZSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576205893 950545937 /nfs/dbraw/zinc/54/59/37/950545937.db2.gz QZLQFCQJUQYOFG-KBPBESRZSA-N 0 1 387.463 1.433 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)CC1(C)C ZINC001573868626 950548085 /nfs/dbraw/zinc/54/80/85/950548085.db2.gz FJLNJUYRKJYVBW-OAHLLOKOSA-N 0 1 387.488 1.798 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCN2C)Nc1ccncc1-c1nn[nH]n1 ZINC001574754107 950557918 /nfs/dbraw/zinc/55/79/18/950557918.db2.gz XYSXXMFEFWVEQZ-ZDUSSCGKSA-N 0 1 392.467 1.249 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575615554 950567750 /nfs/dbraw/zinc/56/77/50/950567750.db2.gz AMTBYIDWGMJVMZ-NSHDSACASA-N 0 1 392.529 1.567 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575615554 950567760 /nfs/dbraw/zinc/56/77/60/950567760.db2.gz AMTBYIDWGMJVMZ-NSHDSACASA-N 0 1 392.529 1.567 20 0 GDADMN CC1(C)C(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)C1(C)C ZINC001575616500 950584927 /nfs/dbraw/zinc/58/49/27/950584927.db2.gz PZRRZXWDPDLVOG-VXGBXAGGSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc2ccccc2o1 ZINC001575919075 950604106 /nfs/dbraw/zinc/60/41/06/950604106.db2.gz FWQHYRZBEPEOHJ-WCQYABFASA-N 0 1 390.407 1.540 20 0 GDADMN CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001576208028 950606859 /nfs/dbraw/zinc/60/68/59/950606859.db2.gz LFQKUDQNRJINGG-HNNXBMFYSA-N 0 1 386.504 1.325 20 0 GDADMN CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001576208028 950606866 /nfs/dbraw/zinc/60/68/66/950606866.db2.gz LFQKUDQNRJINGG-HNNXBMFYSA-N 0 1 386.504 1.325 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575000534 950608259 /nfs/dbraw/zinc/60/82/59/950608259.db2.gz FFHFWURAFPTBLM-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513482 950610758 /nfs/dbraw/zinc/61/07/58/950610758.db2.gz QKAYXZNRARBBKG-NWDGAFQWSA-N 0 1 384.419 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575000726 950614279 /nfs/dbraw/zinc/61/42/79/950614279.db2.gz RXVQDYBPAKJTQY-NSHDSACASA-N 0 1 381.444 1.127 20 0 GDADMN CC1CCN(CC(=O)NCCN(C)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001576208985 950620814 /nfs/dbraw/zinc/62/08/14/950620814.db2.gz XLEPTRAXIYHQKP-UHFFFAOYSA-N 0 1 392.895 1.199 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001574758958 950622809 /nfs/dbraw/zinc/62/28/09/950622809.db2.gz IJJZTPBOUANLPR-JTQLQIEISA-N 0 1 388.382 1.589 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC2(CC2)CC1 ZINC001575920529 950631299 /nfs/dbraw/zinc/63/12/99/950631299.db2.gz MJMCEOOONWAROA-OCCSQVGLSA-N 0 1 382.472 1.450 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001570 950637428 /nfs/dbraw/zinc/63/74/28/950637428.db2.gz VUBGIBGNWIIEBJ-JTQLQIEISA-N 0 1 386.485 1.447 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575001570 950637442 /nfs/dbraw/zinc/63/74/42/950637442.db2.gz VUBGIBGNWIIEBJ-JTQLQIEISA-N 0 1 386.485 1.447 20 0 GDADMN CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1 ZINC001589744038 950639295 /nfs/dbraw/zinc/63/92/95/950639295.db2.gz ILZOZJBPGIWWPS-DLBZAZTESA-N 0 1 379.501 1.280 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575922211 950645805 /nfs/dbraw/zinc/64/58/05/950645805.db2.gz OXIRFRFINGREBZ-FZMZJTMJSA-N 0 1 391.439 1.066 20 0 GDADMN CC(C)(C)OCc1ccccc1NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001573873612 950648506 /nfs/dbraw/zinc/64/85/06/950648506.db2.gz UMFIUQJTGUGGFT-UHFFFAOYSA-N 0 1 385.432 1.595 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575924960 950675136 /nfs/dbraw/zinc/67/51/36/950675136.db2.gz GDUYMOCZAYGOJZ-WBMJQRKESA-N 0 1 391.435 1.334 20 0 GDADMN C[C@H](CNC(=O)c1cc2occc2s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575005332 950676712 /nfs/dbraw/zinc/67/67/12/950676712.db2.gz BDBADMSHYNIIPO-SECBINFHSA-N 0 1 384.425 1.719 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574762216 950703067 /nfs/dbraw/zinc/70/30/67/950703067.db2.gz XJTWOMCMIOYZJD-LBPRGKRZSA-N 0 1 381.444 1.178 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573878365 950706386 /nfs/dbraw/zinc/70/63/86/950706386.db2.gz NWRIAYDMRABNMX-BPLDGKMQSA-N 0 1 390.463 1.255 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC001575926384 950708863 /nfs/dbraw/zinc/70/88/63/950708863.db2.gz JQNWEDOMAKRPJN-GUYCJALGSA-N 0 1 392.467 1.465 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575926670 950716937 /nfs/dbraw/zinc/71/69/37/950716937.db2.gz YCDPIULLNXPKBV-LRDDRELGSA-N 0 1 390.451 1.282 20 0 GDADMN O=C([O-])C1CCN(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000380258008 971686735 /nfs/dbraw/zinc/68/67/35/971686735.db2.gz PCHKAMIXJHGSBB-KRWDZBQOSA-N 0 1 395.525 1.530 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573878740 950724575 /nfs/dbraw/zinc/72/45/75/950724575.db2.gz ZSKZYOLRGHDOTO-CYZMBNFOSA-N 0 1 378.502 1.177 20 0 GDADMN C[C@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575006621 950725032 /nfs/dbraw/zinc/72/50/32/950725032.db2.gz WJZXFFWDCNBSRB-GFCCVEGCSA-N 0 1 385.497 1.974 20 0 GDADMN C[C@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575006621 950725045 /nfs/dbraw/zinc/72/50/45/950725045.db2.gz WJZXFFWDCNBSRB-GFCCVEGCSA-N 0 1 385.497 1.974 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576216607 950740805 /nfs/dbraw/zinc/74/08/05/950740805.db2.gz DYQAVWQXTNCENK-MWLCHTKSSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576216607 950740817 /nfs/dbraw/zinc/74/08/17/950740817.db2.gz DYQAVWQXTNCENK-MWLCHTKSSA-N 0 1 382.440 1.910 20 0 GDADMN CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574184799 950783341 /nfs/dbraw/zinc/78/33/41/950783341.db2.gz NLWHBRCVADWLBW-CQSZACIVSA-N 0 1 375.477 1.344 20 0 GDADMN CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573885014 950810875 /nfs/dbraw/zinc/81/08/75/950810875.db2.gz QIBLEMSMWUGJOB-NSHDSACASA-N 0 1 381.444 1.031 20 0 GDADMN C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001574766580 950816795 /nfs/dbraw/zinc/81/67/95/950816795.db2.gz JPZJFDOELVUBNI-MRVPVSSYSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cncnc1 ZINC001575932201 950824747 /nfs/dbraw/zinc/82/47/47/950824747.db2.gz KKIUPQHCWMXKEE-CBAPKCEASA-N 0 1 391.848 1.482 20 0 GDADMN CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573887507 950850905 /nfs/dbraw/zinc/85/09/05/950850905.db2.gz FPNOTNBMLRWJDE-LLVKDONJSA-N 0 1 382.428 1.296 20 0 GDADMN C[C@@H](CN(C)C[C@H](O)c1ccccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767993 950880754 /nfs/dbraw/zinc/88/07/54/950880754.db2.gz SGVOPPNLJPEQIB-ZBEGNZNMSA-N 0 1 387.419 1.118 20 0 GDADMN CC(C)(CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573893579 950891189 /nfs/dbraw/zinc/89/11/89/950891189.db2.gz LVFVBKMENIDFFJ-VIFPVBQESA-N 0 1 384.366 1.070 20 0 GDADMN CC(C)(CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)CC(F)F ZINC001573893848 950908549 /nfs/dbraw/zinc/90/85/49/950908549.db2.gz ZJSCXGKVVJFDPC-JTQLQIEISA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)(CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573897441 950962431 /nfs/dbraw/zinc/96/24/31/950962431.db2.gz PGKVGNJAKFZRRH-UHFFFAOYSA-N 0 1 384.366 1.118 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N[C@@H](C)c1cc(F)ccc1F ZINC001575017273 950987759 /nfs/dbraw/zinc/98/77/59/950987759.db2.gz JJKSOXAICTYXHL-UWVGGRQHSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cccc(F)c1Cl ZINC001575018423 951021608 /nfs/dbraw/zinc/02/16/08/951021608.db2.gz QBTHXCOOMZGDSV-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575023765 951083363 /nfs/dbraw/zinc/08/33/63/951083363.db2.gz PHWSJIHRZJVGGO-MRVPVSSYSA-N 0 1 376.783 1.102 20 0 GDADMN CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001575025321 951131526 /nfs/dbraw/zinc/13/15/26/951131526.db2.gz YAAHJCYIZLRCOI-GFCCVEGCSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@H](CNC(=O)c1cccc(C2CC2)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575028016 951165761 /nfs/dbraw/zinc/16/57/61/951165761.db2.gz SQHYCPHHKQPCAL-LBPRGKRZSA-N 0 1 378.440 1.434 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001575029735 951189712 /nfs/dbraw/zinc/18/97/12/951189712.db2.gz XCUVYVLJGURMKN-NWDGAFQWSA-N 0 1 379.424 1.237 20 0 GDADMN C[C@H](CNC(=O)c1cccnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575031680 951201697 /nfs/dbraw/zinc/20/16/97/951201697.db2.gz GUECTLSIOGPBCC-MRVPVSSYSA-N 0 1 378.849 1.850 20 0 GDADMN C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575035450 951273236 /nfs/dbraw/zinc/27/32/36/951273236.db2.gz IMYCTSPWUVRHGI-LBPRGKRZSA-N 0 1 378.440 1.789 20 0 GDADMN C[C@H](CNC(=O)c1ccsc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575037864 951313218 /nfs/dbraw/zinc/31/32/18/951313218.db2.gz DGDHWCDYFOBKLE-SSDOTTSWSA-N 0 1 380.384 1.308 20 0 GDADMN O=C([O-])[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000389856814 951361887 /nfs/dbraw/zinc/36/18/87/951361887.db2.gz WDCSKLPNQMQCIX-MSOLQXFVSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043093 951380745 /nfs/dbraw/zinc/38/07/45/951380745.db2.gz OTGBXCXUKBPQTR-VIFPVBQESA-N 0 1 391.386 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2[nH]ccc2c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575044221 951411703 /nfs/dbraw/zinc/41/17/03/951411703.db2.gz QCZNBQJYRMUFPU-NSHDSACASA-N 0 1 377.412 1.344 20 0 GDADMN C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394208987 951448653 /nfs/dbraw/zinc/44/86/53/951448653.db2.gz CZLWHBAYLYOULW-YJBOKZPZSA-N 0 1 395.525 1.528 20 0 GDADMN C[C@@H](CNC(=O)c1coc(Br)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575056973 951524641 /nfs/dbraw/zinc/52/46/41/951524641.db2.gz NKFGIUOGGGVLQJ-QMMMGPOBSA-N 0 1 392.217 1.270 20 0 GDADMN C[C@H](CNC(=O)c1n[nH]c2ccccc21)N(C)c1ncccc1-c1nn[nH]n1 ZINC001575060818 951549942 /nfs/dbraw/zinc/54/99/42/951549942.db2.gz HDJKBNVVDGTIIA-LLVKDONJSA-N 0 1 377.412 1.393 20 0 GDADMN C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575065257 951582036 /nfs/dbraw/zinc/58/20/36/951582036.db2.gz ASASJHYZINBYMC-LLVKDONJSA-N 0 1 384.444 1.802 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC001595074223 951626607 /nfs/dbraw/zinc/62/66/07/951626607.db2.gz OQARSLGZHQCDJX-CABCVRRESA-N 0 1 375.473 1.717 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC001595074223 951626612 /nfs/dbraw/zinc/62/66/12/951626612.db2.gz OQARSLGZHQCDJX-CABCVRRESA-N 0 1 375.473 1.717 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575088696 951741479 /nfs/dbraw/zinc/74/14/79/951741479.db2.gz AVTHGVXUJMEJOM-SFHVURJKSA-N 0 1 388.497 1.997 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575088696 951741487 /nfs/dbraw/zinc/74/14/87/951741487.db2.gz AVTHGVXUJMEJOM-SFHVURJKSA-N 0 1 388.497 1.997 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cc(F)c[nH]1 ZINC001575089135 951745644 /nfs/dbraw/zinc/74/56/44/951745644.db2.gz DVKUJQXYGULYFE-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575089877 951754548 /nfs/dbraw/zinc/75/45/48/951754548.db2.gz IEIMNFPDXDKNEN-BUXKBTBVSA-N 0 1 390.463 1.493 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575089880 951755365 /nfs/dbraw/zinc/75/53/65/951755365.db2.gz IEIMNFPDXDKNEN-HXPMCKFVSA-N 0 1 390.463 1.493 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1(C(F)F)CC1 ZINC001575090925 951764748 /nfs/dbraw/zinc/76/47/48/951764748.db2.gz OCBCDGZRFAHRPZ-JTQLQIEISA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1[O-])C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090931 951765222 /nfs/dbraw/zinc/76/52/22/951765222.db2.gz OGFDJIBZLKBZKP-LLVKDONJSA-N 0 1 385.403 1.262 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1cccnn1)C1CC1 ZINC001575090935 951765600 /nfs/dbraw/zinc/76/56/00/951765600.db2.gz OLRDPRWTUXVAGG-KRWDZBQOSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)c1cccnn1)C1CC1 ZINC001575090935 951765606 /nfs/dbraw/zinc/76/56/06/951765606.db2.gz OLRDPRWTUXVAGG-KRWDZBQOSA-N 0 1 384.469 1.407 20 0 GDADMN O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001595091285 951776396 /nfs/dbraw/zinc/77/63/96/951776396.db2.gz OZWZOINBMKNBQZ-DLBZAZTESA-N 0 1 388.468 1.026 20 0 GDADMN C[C@@H](CNC(=O)C[C@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099008 951828359 /nfs/dbraw/zinc/82/83/59/951828359.db2.gz HBFNPSSDBJQNIT-OLZOCXBDSA-N 0 1 388.501 1.618 20 0 GDADMN C[C@@H](CNC(=O)C[C@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099008 951828363 /nfs/dbraw/zinc/82/83/63/951828363.db2.gz HBFNPSSDBJQNIT-OLZOCXBDSA-N 0 1 388.501 1.618 20 0 GDADMN C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099432 951835146 /nfs/dbraw/zinc/83/51/46/951835146.db2.gz LWPHZUVCRCVJBV-DWQUBVKVSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099432 951835155 /nfs/dbraw/zinc/83/51/55/951835155.db2.gz LWPHZUVCRCVJBV-DWQUBVKVSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cccnc1 ZINC001575099909 951841406 /nfs/dbraw/zinc/84/14/06/951841406.db2.gz QCSTWXWNFLUHTO-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cccnc1 ZINC001575099909 951841411 /nfs/dbraw/zinc/84/14/11/951841411.db2.gz QCSTWXWNFLUHTO-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cncc(F)c1 ZINC001575103058 951873215 /nfs/dbraw/zinc/87/32/15/951873215.db2.gz RNUOXSQNECCTDH-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cncc(F)c1 ZINC001575103058 951873223 /nfs/dbraw/zinc/87/32/23/951873223.db2.gz RNUOXSQNECCTDH-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001575137048 952132254 /nfs/dbraw/zinc/13/22/54/952132254.db2.gz SIVDIMWZVLZHLT-QJPTWQEYSA-N 0 1 384.419 1.791 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575137043 952132977 /nfs/dbraw/zinc/13/29/77/952132977.db2.gz SIIPOGYFXXHALB-IBGZPJMESA-N 0 1 378.440 1.074 20 0 GDADMN C[C@H]1CC[C@H](C(=O)N[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)CC1 ZINC001575142095 952145168 /nfs/dbraw/zinc/14/51/68/952145168.db2.gz ITTJIYLDWFGILJ-VLXJIEOASA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001575143448 952152543 /nfs/dbraw/zinc/15/25/43/952152543.db2.gz PNPBTXFZXHGEQT-AGKSTNPPSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575143483 952152760 /nfs/dbraw/zinc/15/27/60/952152760.db2.gz QAOFXLSSGHWENH-FQEVSTJZSA-N 0 1 392.467 1.408 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575144823 952171804 /nfs/dbraw/zinc/17/18/04/952171804.db2.gz MLIQEVLPOVMFRK-CYBMUJFWSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575145132 952178392 /nfs/dbraw/zinc/17/83/92/952178392.db2.gz QUSQSORTNSWZSP-XJKSGUPXSA-N 0 1 383.431 1.523 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575146396 952193888 /nfs/dbraw/zinc/19/38/88/952193888.db2.gz KBGQLRAZFIRHSY-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575146643 952195669 /nfs/dbraw/zinc/19/56/69/952195669.db2.gz MPWHJOVFCPDSAN-WFASDCNBSA-N 0 1 379.424 1.119 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575147114 952199004 /nfs/dbraw/zinc/19/90/04/952199004.db2.gz QIBICWRWJZBVDZ-CYBMUJFWSA-N 0 1 380.456 1.322 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575197647 952485870 /nfs/dbraw/zinc/48/58/70/952485870.db2.gz YIMVXIWGGQTHEH-AWEZNQCLSA-N 0 1 380.452 1.887 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575199955 952491164 /nfs/dbraw/zinc/49/11/64/952491164.db2.gz FZWWNRKSTQIZLM-YRGRVCCFSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001575201633 952505496 /nfs/dbraw/zinc/50/54/96/952505496.db2.gz JDSWDMMPBYMDSY-LBPRGKRZSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001575203243 952519291 /nfs/dbraw/zinc/51/92/91/952519291.db2.gz SAOIEOZVDOSCOY-LBPRGKRZSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001571122802 952526826 /nfs/dbraw/zinc/52/68/26/952526826.db2.gz LLJPYMWOJKXZGG-FRWLMAKKSA-N 0 1 376.848 1.550 20 0 GDADMN C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571124430 952538836 /nfs/dbraw/zinc/53/88/36/952538836.db2.gz IUVSCIWRRTYSDR-NQBHXWOUSA-N 0 1 377.399 1.235 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001575213591 952558710 /nfs/dbraw/zinc/55/87/10/952558710.db2.gz BMRZLWDZVUHQGK-RTCCRHLQSA-N 0 1 392.414 1.137 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575213643 952559097 /nfs/dbraw/zinc/55/90/97/952559097.db2.gz DITUKCPRMOSIRF-SNVBAGLBSA-N 0 1 380.403 1.163 20 0 GDADMN Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571127894 952562322 /nfs/dbraw/zinc/56/23/22/952562322.db2.gz MBMAZXYVSCZRKZ-RDTXWAMCSA-N 0 1 377.452 1.494 20 0 GDADMN C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(C/C=C\c2ccccc2)C1 ZINC001571128477 952567554 /nfs/dbraw/zinc/56/75/54/952567554.db2.gz UHASCVRSFYSWIC-PODYEWJSSA-N 0 1 377.452 1.958 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccncn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571135288 952601601 /nfs/dbraw/zinc/60/16/01/952601601.db2.gz STDWDFZPJVXSFF-CZUORRHYSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571135339 952602585 /nfs/dbraw/zinc/60/25/85/952602585.db2.gz UKZXZKCZBSLDOF-DZGCQCFKSA-N 0 1 378.440 1.285 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)c1 ZINC001571135409 952603247 /nfs/dbraw/zinc/60/32/47/952603247.db2.gz WWIWMTIOUVJILE-XJKSGUPXSA-N 0 1 378.440 1.350 20 0 GDADMN O=C(Cc1ccoc1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135979 952611206 /nfs/dbraw/zinc/61/12/06/952611206.db2.gz JPINIJMYHXVKKU-SQNIBIBYSA-N 0 1 378.436 1.924 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141089 952630387 /nfs/dbraw/zinc/63/03/87/952630387.db2.gz GPTSDRFAFZOHHJ-STQMWFEESA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141089 952630391 /nfs/dbraw/zinc/63/03/91/952630391.db2.gz GPTSDRFAFZOHHJ-STQMWFEESA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141089 952630394 /nfs/dbraw/zinc/63/03/94/952630394.db2.gz GPTSDRFAFZOHHJ-STQMWFEESA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141089 952630397 /nfs/dbraw/zinc/63/03/97/952630397.db2.gz GPTSDRFAFZOHHJ-STQMWFEESA-N 0 1 378.502 1.634 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1coc(C2CC2)n1 ZINC001571141294 952632448 /nfs/dbraw/zinc/63/24/48/952632448.db2.gz JRSVXDSPOSYQGV-HNNXBMFYSA-N 0 1 379.424 1.736 20 0 GDADMN Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571142394 952640758 /nfs/dbraw/zinc/64/07/58/952640758.db2.gz TXKODWBEQXAPCU-OAGGEKHMSA-N 0 1 379.424 1.698 20 0 GDADMN COc1cccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571142543 952643252 /nfs/dbraw/zinc/64/32/52/952643252.db2.gz WYVUEEDLSGFUFE-AWEZNQCLSA-N 0 1 379.424 1.587 20 0 GDADMN COc1ccccc1C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571142611 952644063 /nfs/dbraw/zinc/64/40/63/952644063.db2.gz YFCGPUSRLVLTBE-UHFFFAOYSA-N 0 1 379.424 1.409 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@]12C[C@H]1CCCC2 ZINC001571151864 952680327 /nfs/dbraw/zinc/68/03/27/952680327.db2.gz ZGQBUYVCPVZOSU-LPKVGUTLSA-N 0 1 379.468 1.640 20 0 GDADMN Cc1conc1C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571158542 952712603 /nfs/dbraw/zinc/71/26/03/952712603.db2.gz LFQLGIQKSBEKNE-BETUJISGSA-N 0 1 380.412 1.075 20 0 GDADMN Cc1cnc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc1C ZINC001571160333 952725347 /nfs/dbraw/zinc/72/53/47/952725347.db2.gz YPLATSBCQASZJA-ZDUSSCGKSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1ocnc1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571160678 952727782 /nfs/dbraw/zinc/72/77/82/952727782.db2.gz LGQMFJGXUFCJNQ-KGLIPLIRSA-N 0 1 380.412 1.133 20 0 GDADMN O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)[C@H]1C[C@@H]1C(F)F ZINC001571166853 952766146 /nfs/dbraw/zinc/76/61/46/952766146.db2.gz QMRSROCHSSNLNT-HKLXJQGRSA-N 0 1 380.424 1.376 20 0 GDADMN O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)[C@H]1C[C@@H]1C(F)F ZINC001571166853 952766151 /nfs/dbraw/zinc/76/61/51/952766151.db2.gz QMRSROCHSSNLNT-HKLXJQGRSA-N 0 1 380.424 1.376 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571169383 952772612 /nfs/dbraw/zinc/77/26/12/952772612.db2.gz BCRIWJZLYNKPMJ-AWEZNQCLSA-N 0 1 380.456 1.295 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571169717 952777053 /nfs/dbraw/zinc/77/70/53/952777053.db2.gz LCKHSFDSUAIGNM-HDJSIYSDSA-N 0 1 380.456 1.484 20 0 GDADMN CCn1ccnc1C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169829 952779417 /nfs/dbraw/zinc/77/94/17/952779417.db2.gz OVEVDQCUKKZRIT-INIZCTEOSA-N 0 1 380.456 1.478 20 0 GDADMN O=C([C@H]1CC12CCC2)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571172222 952804151 /nfs/dbraw/zinc/80/41/51/952804151.db2.gz PUQVFPUMYOUOQR-HZSPNIEDSA-N 0 1 380.456 1.132 20 0 GDADMN O=C(CCn1cccc1)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571172220 952804404 /nfs/dbraw/zinc/80/44/04/952804404.db2.gz PTMRJXDGEJWSCX-HNNXBMFYSA-N 0 1 380.456 1.226 20 0 GDADMN Cc1ccoc1CC(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571180253 952859163 /nfs/dbraw/zinc/85/91/63/952859163.db2.gz NOAIRONBOFFOPB-UHFFFAOYSA-N 0 1 381.440 1.537 20 0 GDADMN O=C(NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccc(CF)cc1 ZINC001571182924 952870528 /nfs/dbraw/zinc/87/05/28/952870528.db2.gz JUZDHKHFRGCPPX-CQSZACIVSA-N 0 1 381.415 1.988 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571183758 952881864 /nfs/dbraw/zinc/88/18/64/952881864.db2.gz IWBJPKSXOKPHJU-STQMWFEESA-N 0 1 381.444 1.124 20 0 GDADMN CCn1ccnc1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571184656 952895235 /nfs/dbraw/zinc/89/52/35/952895235.db2.gz CNQJYDGOWVFNHI-ZDUSSCGKSA-N 0 1 381.444 1.043 20 0 GDADMN CCn1ccnc1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571184655 952895249 /nfs/dbraw/zinc/89/52/49/952895249.db2.gz CNQJYDGOWVFNHI-CYBMUJFWSA-N 0 1 381.444 1.043 20 0 GDADMN CCn1cccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571185012 952898651 /nfs/dbraw/zinc/89/86/51/952898651.db2.gz GSFXHGSKYCEWMH-OLZOCXBDSA-N 0 1 381.444 1.265 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)Nc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571188894 952921572 /nfs/dbraw/zinc/92/15/72/952921572.db2.gz PBSGWJYGGSOKEP-TZMCWYRMSA-N 0 1 381.444 1.646 20 0 GDADMN Cc1nc(N[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@@H]2C)ccc1-c1nn[nH]n1 ZINC001571188993 952922628 /nfs/dbraw/zinc/92/26/28/952922628.db2.gz LJZJVAKDAJNDAH-XHDPSFHLSA-N 0 1 381.444 1.185 20 0 GDADMN Cc1nccnc1CNC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571189250 952926646 /nfs/dbraw/zinc/92/66/46/952926646.db2.gz OSPDOAAWKXXNGE-CYBMUJFWSA-N 0 1 381.444 1.078 20 0 GDADMN Cc1cc(N2C[C@@H]3CCN(C(=O)c4cccs4)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189204 952926667 /nfs/dbraw/zinc/92/66/67/952926667.db2.gz OPBCTXWHZDHZDW-SWLSCSKDSA-N 0 1 381.465 1.983 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)n1C ZINC001571189562 952930401 /nfs/dbraw/zinc/93/04/01/952930401.db2.gz XLWOBSLLVWCWEY-OLZOCXBDSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H](C)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC001571189603 952931710 /nfs/dbraw/zinc/93/17/10/952931710.db2.gz YEOYVVMDEQNWQT-OLZOCXBDSA-N 0 1 381.444 1.646 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1C)C1CC1 ZINC001571193153 952951387 /nfs/dbraw/zinc/95/13/87/952951387.db2.gz YVGFXAVGQRWJKP-NQMVMOMDSA-N 0 1 381.893 1.964 20 0 GDADMN C[C@@]1(NC(=O)c2ccc(CF)cc2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571195454 952976195 /nfs/dbraw/zinc/97/61/95/952976195.db2.gz AEOIXQPSDDBBSG-GOSISDBHSA-N 0 1 382.403 1.525 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571197320 952988003 /nfs/dbraw/zinc/98/80/03/952988003.db2.gz WNOCDPLEFNSPBW-NEPJUHHUSA-N 0 1 382.403 1.038 20 0 GDADMN C[C@H]1CN(C(=O)c2ccncc2F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571197322 952988558 /nfs/dbraw/zinc/98/85/58/952988558.db2.gz WNOCDPLEFNSPBW-RYUDHWBXSA-N 0 1 382.403 1.038 20 0 GDADMN CCc1ncoc1C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571199172 952996664 /nfs/dbraw/zinc/99/66/64/952996664.db2.gz MSLYKGIUDLGKLY-LBPRGKRZSA-N 0 1 382.428 1.198 20 0 GDADMN CCc1ncoc1C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571199537 953001043 /nfs/dbraw/zinc/00/10/43/953001043.db2.gz URDZWQQQUDSHCO-HAQNSBGRSA-N 0 1 382.428 1.163 20 0 GDADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)on1 ZINC001571200824 953011838 /nfs/dbraw/zinc/01/18/38/953011838.db2.gz MDLZOGMPAOUGLT-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)co1 ZINC001571202322 953023790 /nfs/dbraw/zinc/02/37/90/953023790.db2.gz TUSBGTPPDCBQOJ-AAEUAGOBSA-N 0 1 382.428 1.190 20 0 GDADMN O=C([O-])c1ccnc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383732036 971890939 /nfs/dbraw/zinc/89/09/39/971890939.db2.gz GFLDCWUTWZNPKS-INIZCTEOSA-N 0 1 389.477 1.970 20 0 GDADMN Cc1ncc(CC(=O)N[C@H]2CC[C@H](Nc3ccncc3-c3nn[nH]n3)CC2)o1 ZINC001571206969 953058489 /nfs/dbraw/zinc/05/84/89/953058489.db2.gz VGSXBWIBCYVROL-JOCQHMNTSA-N 0 1 382.428 1.062 20 0 GDADMN Cc1oc(C(C)C)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207209 953061012 /nfs/dbraw/zinc/06/10/12/953061012.db2.gz XEEUERJQSTUIDU-LBPRGKRZSA-N 0 1 382.428 1.690 20 0 GDADMN COc1ccc(CN2CCC[C@@H](NC(=O)[C@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571210663 953074428 /nfs/dbraw/zinc/07/44/28/953074428.db2.gz VLLRZKGNXCLZEX-GDBMZVCRSA-N 0 1 382.468 1.756 20 0 GDADMN Cc1nc(NC[C@H]2CCCC[C@@H]2NC(=O)c2cnn[nH]2)ccc1-c1nn[nH]n1 ZINC001571212312 953086717 /nfs/dbraw/zinc/08/67/17/953086717.db2.gz LKKAOTNOHWMBCW-YPMHNXCESA-N 0 1 382.432 1.089 20 0 GDADMN CN(CC1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571213675 953096333 /nfs/dbraw/zinc/09/63/33/953096333.db2.gz TVXGNVVCZQJBKN-AUUYWEPGSA-N 0 1 382.472 1.522 20 0 GDADMN O=C(N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC2(CCC2)C1 ZINC001571218460 953115205 /nfs/dbraw/zinc/11/52/05/953115205.db2.gz OQQYPKWHQPSXHK-JSGCOSHPSA-N 0 1 382.472 1.356 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(-c5nn[nH]n5)cc4F)C[C@H]32)no1 ZINC001571218554 953115806 /nfs/dbraw/zinc/11/58/06/953115806.db2.gz WXMHROCYEQUOFO-VIKVFOODSA-N 0 1 383.387 1.162 20 0 GDADMN CC(C)c1oncc1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571223485 953143970 /nfs/dbraw/zinc/14/39/70/953143970.db2.gz RKLQQAQDOIWXJI-LLVKDONJSA-N 0 1 383.416 1.119 20 0 GDADMN Cc1nonc1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571224745 953150716 /nfs/dbraw/zinc/15/07/16/953150716.db2.gz FLJAURKMLPOWFI-DGCLKSJQSA-N 0 1 383.416 1.049 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@@H](C)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571230691 953179883 /nfs/dbraw/zinc/17/98/83/953179883.db2.gz ZNWPJEABWJAUCA-LBPRGKRZSA-N 0 1 383.431 1.893 20 0 GDADMN C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2F)CN1Cc1ccccc1-c1nn[nH]n1 ZINC001571239617 953241293 /nfs/dbraw/zinc/24/12/93/953241293.db2.gz NZDZDRNGSHXZAJ-YPMHNXCESA-N 0 1 384.419 1.512 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245469 953274080 /nfs/dbraw/zinc/27/40/80/953274080.db2.gz IZEMWRNDHMLVJO-IGKNDFSCSA-N 0 1 384.459 1.844 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001571245655 953275575 /nfs/dbraw/zinc/27/55/75/953275575.db2.gz KGJRWESUVPQTKR-AAEUAGOBSA-N 0 1 384.469 1.607 20 0 GDADMN O=C(c1cnc2n1CCC2)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571247999 953288882 /nfs/dbraw/zinc/28/88/82/953288882.db2.gz KTPHTXNJYUCQKA-LLVKDONJSA-N 0 1 384.469 1.075 20 0 GDADMN O=C(c1cnc2n1CCC2)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571247999 953288884 /nfs/dbraw/zinc/28/88/84/953288884.db2.gz KTPHTXNJYUCQKA-LLVKDONJSA-N 0 1 384.469 1.075 20 0 GDADMN Cc1ncc(CN[C@@H](C)[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248576 953295088 /nfs/dbraw/zinc/29/50/88/953295088.db2.gz GXICLPOETSNFQV-ZBEGNZNMSA-N 0 1 384.444 1.664 20 0 GDADMN O=C(C[C@H]1CCCOC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571249055 953300113 /nfs/dbraw/zinc/30/01/13/953300113.db2.gz BXUDOJRRPCAGEI-QGZVFWFLSA-N 0 1 384.484 1.718 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCC1 ZINC001571249082 953300900 /nfs/dbraw/zinc/30/09/00/953300900.db2.gz CRHHAAFTYQMTLK-CQSZACIVSA-N 0 1 384.488 1.397 20 0 GDADMN CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571250662 953312066 /nfs/dbraw/zinc/31/20/66/953312066.db2.gz RTKCJIHKYRBCBP-ZIAGYGMSSA-N 0 1 384.488 1.958 20 0 GDADMN Cc1cnc([C@H](C)NC2CCC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251319 953316246 /nfs/dbraw/zinc/31/62/46/953316246.db2.gz UDPJOOCAXAZHRH-HIFPTAJRSA-N 0 1 384.444 1.883 20 0 GDADMN CN1CCCC[C@H]1C(=O)N1CCC[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252053 953322686 /nfs/dbraw/zinc/32/26/86/953322686.db2.gz GGQNIDFPLNFSGM-ZBFHGGJFSA-N 0 1 384.488 1.397 20 0 GDADMN CN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571252092 953322917 /nfs/dbraw/zinc/32/29/17/953322917.db2.gz GYRXXKJIPHCVPK-GOEBONIOSA-N 0 1 384.488 1.539 20 0 GDADMN CCS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1 ZINC001593368876 953360278 /nfs/dbraw/zinc/36/02/78/953360278.db2.gz IRHXTDRHSBFIBM-JKSUJKDBSA-N 0 1 391.493 1.904 20 0 GDADMN CCS(=O)(=O)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1 ZINC001593368876 953360284 /nfs/dbraw/zinc/36/02/84/953360284.db2.gz IRHXTDRHSBFIBM-JKSUJKDBSA-N 0 1 391.493 1.904 20 0 GDADMN COc1ccc(F)cc1CN[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571256164 953365715 /nfs/dbraw/zinc/36/57/15/953365715.db2.gz ZOPJYKWGMXJIDT-CQSZACIVSA-N 0 1 385.403 1.347 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cc(F)cc(F)c1 ZINC001571256355 953370947 /nfs/dbraw/zinc/37/09/47/953370947.db2.gz VSLYAELHFFHTGH-YPFXGUDJSA-N 0 1 385.378 1.582 20 0 GDADMN CCc1[nH]c(C[NH+]2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cc1C(=O)OC ZINC001593625716 953549173 /nfs/dbraw/zinc/54/91/73/953549173.db2.gz QQBARZSDEUICEW-LBPRGKRZSA-N 0 1 377.441 1.261 20 0 GDADMN COC(=O)c1cc(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc(C(=O)OC)c1 ZINC000521050684 953553827 /nfs/dbraw/zinc/55/38/27/953553827.db2.gz YRFYMXNCGGROOP-VXGBXAGGSA-N 0 1 392.408 1.383 20 0 GDADMN CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)CC2)cc1 ZINC001593637899 953623087 /nfs/dbraw/zinc/62/30/87/953623087.db2.gz 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Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccnn1-c1cc[nH+]cc1 ZINC000822224066 607122761 /nfs/dbraw/zinc/12/27/61/607122761.db2.gz VBXYEGMGCUDCML-UHFFFAOYSA-N 0 1 382.409 1.557 20 0 GDADMN CC(C)(C)OC(=O)NCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819940320 607124736 /nfs/dbraw/zinc/12/47/36/607124736.db2.gz XAHMJQNCFUASRN-UHFFFAOYSA-N 0 1 387.488 1.509 20 0 GDADMN COCCN(CCNC(=O)OC(C)(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821689886 607127505 /nfs/dbraw/zinc/12/75/05/607127505.db2.gz QJTAFFRJUZCSPC-UHFFFAOYSA-N 0 1 376.461 1.840 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@H](C)C(=O)OC(C)C)cc1-c1nn[nH]n1 ZINC000821970996 607143894 /nfs/dbraw/zinc/14/38/94/607143894.db2.gz VFENIHVZVPQNTB-MRVPVSSYSA-N 0 1 380.430 1.101 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000822199632 607184833 /nfs/dbraw/zinc/18/48/33/607184833.db2.gz BQGUUBFJSVXILR-MRVPVSSYSA-N 0 1 388.819 1.238 20 0 GDADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000823313499 607203039 /nfs/dbraw/zinc/20/30/39/607203039.db2.gz CQUYHSIODIBKJO-HUUCEWRRSA-N 0 1 391.863 1.583 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000823131201 607208300 /nfs/dbraw/zinc/20/83/00/607208300.db2.gz CXDRDAWLWHYOIG-UHFFFAOYSA-N 0 1 390.411 1.297 20 0 GDADMN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822595603 607209941 /nfs/dbraw/zinc/20/99/41/607209941.db2.gz ADINVXVFGOHIFV-CQSZACIVSA-N 0 1 392.427 1.099 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(c2cccc(F)c2)CCCCC1 ZINC000823127084 607210584 /nfs/dbraw/zinc/21/05/84/607210584.db2.gz SDEVXHCZMPLLLJ-UHFFFAOYSA-N 0 1 384.419 1.616 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCSCc1cccc2ccccc21 ZINC000823131575 607211113 /nfs/dbraw/zinc/21/11/13/607211113.db2.gz KFBUHDFCFDHCSJ-UHFFFAOYSA-N 0 1 394.464 1.661 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(Br)cc1Cl ZINC000823131286 607211772 /nfs/dbraw/zinc/21/17/72/607211772.db2.gz FBRRVKWBSFGOEC-UHFFFAOYSA-N 0 1 397.624 1.191 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000823136319 607212268 /nfs/dbraw/zinc/21/22/68/607212268.db2.gz VOVFDQDWKRSVKC-UHFFFAOYSA-N 0 1 394.370 1.815 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000823123420 607214730 /nfs/dbraw/zinc/21/47/30/607214730.db2.gz YTZPOUYSLSEQFX-UHFFFAOYSA-N 0 1 388.382 1.708 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823127061 607215629 /nfs/dbraw/zinc/21/56/29/607215629.db2.gz RNSYSJVEBWJBND-OAHLLOKOSA-N 0 1 377.412 1.693 20 0 GDADMN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820333810 607217836 /nfs/dbraw/zinc/21/78/36/607217836.db2.gz GQZRNXNIGBGKMD-LLVKDONJSA-N 0 1 380.416 1.266 20 0 GDADMN Cc1cccc(C)c1OC[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC000822294137 607223248 /nfs/dbraw/zinc/22/32/48/607223248.db2.gz SFMNJILLPPCYMC-CQSZACIVSA-N 0 1 398.471 1.685 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@H]1CCSC1 ZINC000530375892 649971395 /nfs/dbraw/zinc/97/13/95/649971395.db2.gz PKEAFLFIFBSGAF-SNVBAGLBSA-N 0 1 380.513 1.241 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000826256000 607813526 /nfs/dbraw/zinc/81/35/26/607813526.db2.gz QYAHJMLFVHSYKU-UHFFFAOYSA-N 0 1 382.409 1.761 20 0 GDADMN C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)CC1 ZINC000826023004 607907187 /nfs/dbraw/zinc/90/71/87/607907187.db2.gz VJAVKDCTRCVNCJ-CYBMUJFWSA-N 0 1 394.476 1.358 20 0 GDADMN C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)CC1 ZINC000826023004 607907188 /nfs/dbraw/zinc/90/71/88/607907188.db2.gz VJAVKDCTRCVNCJ-CYBMUJFWSA-N 0 1 394.476 1.358 20 0 GDADMN O=S(=O)(N[C@H](c1cccnc1)C1CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826487049 607974429 /nfs/dbraw/zinc/97/44/29/607974429.db2.gz BORLJGFMIIEILI-AWEZNQCLSA-N 0 1 392.391 1.970 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3ccccc32)c1-c1nnn[n-]1 ZINC000826077907 608019827 /nfs/dbraw/zinc/01/98/27/608019827.db2.gz ZXKLTZKTFBSYPE-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3ccccc32)c1-c1nn[n-]n1 ZINC000826077907 608019828 /nfs/dbraw/zinc/01/98/28/608019828.db2.gz ZXKLTZKTFBSYPE-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(-c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826083541 608022282 /nfs/dbraw/zinc/02/22/82/608022282.db2.gz MIPPOMSVBXAXIG-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(-c3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826083541 608022283 /nfs/dbraw/zinc/02/22/83/608022283.db2.gz MIPPOMSVBXAXIG-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN COCCO[C@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000826160153 608039048 /nfs/dbraw/zinc/03/90/48/608039048.db2.gz HLRBNYDNDNKARW-HNNXBMFYSA-N 0 1 377.445 1.382 20 0 GDADMN CCc1cc(CNC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC000825700446 608063528 /nfs/dbraw/zinc/06/35/28/608063528.db2.gz FWNPZMWFXOOOOL-MRXNPFEDSA-N 0 1 382.428 1.435 20 0 GDADMN CN(C)[C@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)c1cccc(F)c1 ZINC000825848252 608216044 /nfs/dbraw/zinc/21/60/44/608216044.db2.gz AVTXOWWKPSXSGI-OAHLLOKOSA-N 0 1 384.419 1.232 20 0 GDADMN O=C(CCN1CCN2C(=O)CC[C@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407324 608259347 /nfs/dbraw/zinc/25/93/47/608259347.db2.gz JEJVLDWDNKGFCI-LBPRGKRZSA-N 0 1 389.847 1.155 20 0 GDADMN C[C@@H](C(N)=O)N(C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000824051933 608269020 /nfs/dbraw/zinc/26/90/20/608269020.db2.gz IOMBWNPJMBQVBV-JTQLQIEISA-N 0 1 391.501 1.331 20 0 GDADMN COc1ccnc(N2CCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)CC2)c1 ZINC000826220851 608282842 /nfs/dbraw/zinc/28/28/42/608282842.db2.gz COZOQMCIWOMFAW-UHFFFAOYSA-N 0 1 392.467 1.871 20 0 GDADMN Cc1cnc(N)c(S(=O)(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)c1 ZINC000826318999 608294429 /nfs/dbraw/zinc/29/44/29/608294429.db2.gz JTPBXRZNPOBCSJ-UHFFFAOYSA-N 0 1 389.441 1.740 20 0 GDADMN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000823967195 608458924 /nfs/dbraw/zinc/45/89/24/608458924.db2.gz JYCKPGGPMMGPCE-LIRRHRJNSA-N 0 1 392.463 1.834 20 0 GDADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825565606 608463365 /nfs/dbraw/zinc/46/33/65/608463365.db2.gz WKSLHJQIBXZFPT-LLVKDONJSA-N 0 1 398.427 1.066 20 0 GDADMN COc1ccc([C@@H](C)NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826188045 608472430 /nfs/dbraw/zinc/47/24/30/608472430.db2.gz MEJLYKSSDMFRAJ-CYBMUJFWSA-N 0 1 396.451 1.851 20 0 GDADMN O=S(=O)(NCc1cc(Cl)ccn1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826491809 608567405 /nfs/dbraw/zinc/56/74/05/608567405.db2.gz CJYCKEZZBKCJEI-UHFFFAOYSA-N 0 1 386.771 1.672 20 0 GDADMN CCOc1cccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000825649265 608589306 /nfs/dbraw/zinc/58/93/06/608589306.db2.gz NITAVIFHPRQYFK-UHFFFAOYSA-N 0 1 396.455 1.848 20 0 GDADMN COc1ccc([C@@H](C)C[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000826188164 608590553 /nfs/dbraw/zinc/59/05/53/608590553.db2.gz PABDMVRZFHVHDF-LSDHHAIUSA-N 0 1 394.483 1.980 20 0 GDADMN COc1ccc([C@@H](C)C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000826188164 608590556 /nfs/dbraw/zinc/59/05/56/608590556.db2.gz PABDMVRZFHVHDF-LSDHHAIUSA-N 0 1 394.483 1.980 20 0 GDADMN COc1ccc([C@@H](C)C[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000826188164 608590558 /nfs/dbraw/zinc/59/05/58/608590558.db2.gz PABDMVRZFHVHDF-LSDHHAIUSA-N 0 1 394.483 1.980 20 0 GDADMN COc1ccc([C@@H](C)C[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000826188164 608590559 /nfs/dbraw/zinc/59/05/59/608590559.db2.gz PABDMVRZFHVHDF-LSDHHAIUSA-N 0 1 394.483 1.980 20 0 GDADMN CSc1n[nH]c(NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)n1 ZINC000826231206 609151027 /nfs/dbraw/zinc/15/10/27/609151027.db2.gz BPBHNSPRPPUVDG-UHFFFAOYSA-N 0 1 382.413 1.453 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000826470613 609294410 /nfs/dbraw/zinc/29/44/10/609294410.db2.gz WSOVYJMLOULSNT-CYBMUJFWSA-N 0 1 389.423 2.000 20 0 GDADMN Cn1cc(CNCc2ccc(C(N)=O)nc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361693 609341987 /nfs/dbraw/zinc/34/19/87/609341987.db2.gz JMOJYRTYNUYFPT-UHFFFAOYSA-N 0 1 389.423 1.051 20 0 GDADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCC2(CC1)OCCO2 ZINC000823821740 609357978 /nfs/dbraw/zinc/35/79/78/609357978.db2.gz YZEWDSDNFVKTEF-UHFFFAOYSA-N 0 1 380.246 1.968 20 0 GDADMN CCN1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C[C@@H]1C ZINC000825459399 609358714 /nfs/dbraw/zinc/35/87/14/609358714.db2.gz KABIJVHXILBVNG-LBPRGKRZSA-N 0 1 399.434 1.749 20 0 GDADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H](N2CCOCC2)C1 ZINC000823821666 609361124 /nfs/dbraw/zinc/36/11/24/609361124.db2.gz XKXDSQCQLRNVQH-AWEZNQCLSA-N 0 1 393.289 1.536 20 0 GDADMN OCCCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826509848 609368270 /nfs/dbraw/zinc/36/82/70/609368270.db2.gz MQZJUXFKDRELML-UHFFFAOYSA-N 0 1 395.305 1.519 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259128 609530202 /nfs/dbraw/zinc/53/02/02/609530202.db2.gz ISGOKZWYYQYDBM-WMZOPIPTSA-N 0 1 392.467 1.717 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UXHZMYLMWZNRBD-AAEUAGOBSA-N 0 1 387.469 1.628 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)Cc2cnoc2)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282214 945835006 /nfs/dbraw/zinc/83/50/06/945835006.db2.gz UXHZMYLMWZNRBD-AAEUAGOBSA-N 0 1 387.469 1.628 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000822005023 945917751 /nfs/dbraw/zinc/91/77/51/945917751.db2.gz NGVVDQXFEBFDLE-MFKMUULPSA-N 0 1 385.472 1.258 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000822005023 945917764 /nfs/dbraw/zinc/91/77/64/945917764.db2.gz NGVVDQXFEBFDLE-MFKMUULPSA-N 0 1 385.472 1.258 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000822005023 945917774 /nfs/dbraw/zinc/91/77/74/945917774.db2.gz NGVVDQXFEBFDLE-MFKMUULPSA-N 0 1 385.472 1.258 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)c(F)c1 ZINC001571290408 946042446 /nfs/dbraw/zinc/04/24/46/946042446.db2.gz DGXXRMYWWGNZSD-MGCOHNPYSA-N 0 1 388.794 1.244 20 0 GDADMN O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290703 946055261 /nfs/dbraw/zinc/05/52/61/946055261.db2.gz MKABBTXUAMNZNO-JTQLQIEISA-N 0 1 388.819 1.550 20 0 GDADMN O=C(NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCc2cccnc21 ZINC001571294546 946138806 /nfs/dbraw/zinc/13/88/06/946138806.db2.gz IRQXRCQIXSRAKW-GOSISDBHSA-N 0 1 389.463 1.540 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccc(C(F)F)o1 ZINC001571295372 946161190 /nfs/dbraw/zinc/16/11/90/946161190.db2.gz YZYBKXUJCBHRCP-VIFPVBQESA-N 0 1 390.354 1.586 20 0 GDADMN O=C(c1cccc(C2CC2)c1)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571297974 946201064 /nfs/dbraw/zinc/20/10/64/946201064.db2.gz FZINMMOYIZPUQM-ZDUSSCGKSA-N 0 1 390.451 1.530 20 0 GDADMN CS[C@H](C)C(=O)N1CC2(C1)CCN(Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC001571298310 946214887 /nfs/dbraw/zinc/21/48/87/946214887.db2.gz NGBAJROHGQGBQR-GFCCVEGCSA-N 0 1 390.488 1.792 20 0 GDADMN Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571298526 946219280 /nfs/dbraw/zinc/21/92/80/946219280.db2.gz AHMMVMYLQFXXSL-STQMWFEESA-N 0 1 390.517 1.153 20 0 GDADMN Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571298526 946219288 /nfs/dbraw/zinc/21/92/88/946219288.db2.gz AHMMVMYLQFXXSL-STQMWFEESA-N 0 1 390.517 1.153 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)C3(c4cccnc4)CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298656 946223927 /nfs/dbraw/zinc/22/39/27/946223927.db2.gz IMYDNPWKILKJBS-GASCZTMLSA-N 0 1 390.451 1.178 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)cc1 ZINC001571298706 946228483 /nfs/dbraw/zinc/22/84/83/946228483.db2.gz KHWSWPNOGDQOSQ-CJNGLKHVSA-N 0 1 390.451 1.684 20 0 GDADMN O=C(COC1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299014 946235745 /nfs/dbraw/zinc/23/57/45/946235745.db2.gz GVJXMTZNIHANOB-CYBMUJFWSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(COC1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299014 946235754 /nfs/dbraw/zinc/23/57/54/946235754.db2.gz GVJXMTZNIHANOB-CYBMUJFWSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(c1cc2c([nH]1)CCC2)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571299134 946240893 /nfs/dbraw/zinc/24/08/93/946240893.db2.gz UQBPUZUWYHKQHS-OKILXGFUSA-N 0 1 390.451 1.287 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCc2cccnc21 ZINC001571299443 946250606 /nfs/dbraw/zinc/25/06/06/946250606.db2.gz WIMCFSUPGAODIM-QEJZJMRPSA-N 0 1 390.451 1.115 20 0 GDADMN C[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571299887 946264413 /nfs/dbraw/zinc/26/44/13/946264413.db2.gz QGCSZIQBIZAANK-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571299887 946264424 /nfs/dbraw/zinc/26/44/24/946264424.db2.gz QGCSZIQBIZAANK-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN CO[C@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300328 946281394 /nfs/dbraw/zinc/28/13/94/946281394.db2.gz ZUCKMDLHLBHOQT-GJZGRUSLSA-N 0 1 390.513 1.824 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3ccc4c(c3)COC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302995 946321833 /nfs/dbraw/zinc/32/18/33/946321833.db2.gz GXWWPPHYBDGEKZ-INIZCTEOSA-N 0 1 391.435 1.349 20 0 GDADMN Cc1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)n[nH]1 ZINC001571303881 946350408 /nfs/dbraw/zinc/35/04/08/946350408.db2.gz RVLWINYGYBATTD-OAHLLOKOSA-N 0 1 391.432 1.953 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571307545 946422385 /nfs/dbraw/zinc/42/23/85/946422385.db2.gz DPCWWZKNJUCWFC-GHMZBOCLSA-N 0 1 392.414 1.163 20 0 GDADMN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571309156 946440652 /nfs/dbraw/zinc/44/06/52/946440652.db2.gz XCJBADOWRCBMJE-LADJIXMOSA-N 0 1 391.888 1.812 20 0 GDADMN CCn1cccc1C(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571313041 946511054 /nfs/dbraw/zinc/51/10/54/946511054.db2.gz ILGXQZHRRSSCSF-FQEVSTJZSA-N 0 1 392.467 1.826 20 0 GDADMN CCc1ccc(C(=O)N(CC)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571313642 946527537 /nfs/dbraw/zinc/52/75/37/946527537.db2.gz SENUBXZCMDXDGN-INIZCTEOSA-N 0 1 392.467 1.960 20 0 GDADMN C[C@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571314055 946540417 /nfs/dbraw/zinc/54/04/17/946540417.db2.gz ZGBHJFKHXUWTJC-HOCLYGCPSA-N 0 1 392.467 1.218 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@@](C)(CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571315624 946555251 /nfs/dbraw/zinc/55/52/51/946555251.db2.gz MLMIBUFFKRIJLG-FQEVSTJZSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1cc(N[C@@H]2CCC[C@H](NC(=O)Cc3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316290 946570805 /nfs/dbraw/zinc/57/08/05/946570805.db2.gz YNMLPDDFJQDQKO-CVEARBPZSA-N 0 1 392.467 1.469 20 0 GDADMN O=C(CCc1cccnc1)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571316339 946574682 /nfs/dbraw/zinc/57/46/82/946574682.db2.gz ACKMFXIWFVSWMS-INIZCTEOSA-N 0 1 392.467 1.362 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1ccnn1C1CCC1 ZINC001571316566 946583111 /nfs/dbraw/zinc/58/31/11/946583111.db2.gz GTEAXPWWNBZZFS-HNNXBMFYSA-N 0 1 392.467 1.793 20 0 GDADMN Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cc1C ZINC001571316693 946584657 /nfs/dbraw/zinc/58/46/57/946584657.db2.gz KBAWLAYFQMWEHJ-GDBMZVCRSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[nH]n3)cc2)n1C ZINC001571316974 946595927 /nfs/dbraw/zinc/59/59/27/946595927.db2.gz RBBYUOHMLRHRIZ-IKGGRYGDSA-N 0 1 392.467 1.444 20 0 GDADMN NC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001571317301 946606076 /nfs/dbraw/zinc/60/60/76/946606076.db2.gz BPUAGMCJBUDIEJ-MRVPVSSYSA-N 0 1 392.832 1.195 20 0 GDADMN Cc1nsc(NC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1-c1nn[n-]n1 ZINC001571317779 946622038 /nfs/dbraw/zinc/62/20/38/946622038.db2.gz VRCUGXSRHNQJNG-CQSZACIVSA-N 0 1 392.533 1.621 20 0 GDADMN CC1(C)CN(C(=O)C2CC2)CCN1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824808759 946940292 /nfs/dbraw/zinc/94/02/92/946940292.db2.gz YWQNQJTZWXVBLN-UHFFFAOYSA-N 0 1 397.483 1.528 20 0 GDADMN C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824859281 946952447 /nfs/dbraw/zinc/95/24/47/946952447.db2.gz PJMBWYXMKJUZCB-RDTXWAMCSA-N 0 1 384.484 1.762 20 0 GDADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000825669259 947283029 /nfs/dbraw/zinc/28/30/29/947283029.db2.gz TXJDXFHZQHEXNE-UHFFFAOYSA-N 0 1 393.450 1.461 20 0 GDADMN C=C/C(C)=C\CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573317211 947293761 /nfs/dbraw/zinc/29/37/61/947293761.db2.gz MQVUVKNPOBEJTF-CNTYAEFGSA-N 0 1 382.472 1.900 20 0 GDADMN C=C/C(C)=C/CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001573318089 947303237 /nfs/dbraw/zinc/30/32/37/947303237.db2.gz QBVFTVBZDWOUGU-LNKIKWGQSA-N 0 1 383.456 1.283 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573593692 947378193 /nfs/dbraw/zinc/37/81/93/947378193.db2.gz UVGNEIUMRKIQLP-SWLSCSKDSA-N 0 1 390.463 1.303 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573593692 947378197 /nfs/dbraw/zinc/37/81/97/947378197.db2.gz UVGNEIUMRKIQLP-SWLSCSKDSA-N 0 1 390.463 1.303 20 0 GDADMN CN(CCN1CCCC1=O)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825938650 947378977 /nfs/dbraw/zinc/37/89/77/947378977.db2.gz UPRKJIVJBXRULZ-UHFFFAOYSA-N 0 1 380.456 1.321 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573596965 947434362 /nfs/dbraw/zinc/43/43/62/947434362.db2.gz MFZXYWARSQEMLR-PBHICJAKSA-N 0 1 380.456 1.357 20 0 GDADMN COC(=O)[C@@H]1CN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1C ZINC000826132401 947445988 /nfs/dbraw/zinc/44/59/88/947445988.db2.gz FCIHLYUZFNFEAM-MAZHCROVSA-N 0 1 384.440 1.103 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573615181 947599690 /nfs/dbraw/zinc/59/96/90/947599690.db2.gz IQIRMAAHDLAEIS-CABCVRRESA-N 0 1 380.456 1.397 20 0 GDADMN COc1ccc(S(=O)(=O)Nc2cccc(C)c2-c2nn[nH]n2)cc1C(N)=O ZINC000826211548 947619519 /nfs/dbraw/zinc/61/95/19/947619519.db2.gz JMUBQMGNDBCNCH-UHFFFAOYSA-N 0 1 388.409 1.083 20 0 GDADMN C[C@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573618806 947655896 /nfs/dbraw/zinc/65/58/96/947655896.db2.gz SFBLYJKWHGDLEY-CQSZACIVSA-N 0 1 380.456 1.752 20 0 GDADMN C=Cc1ccc(C(=O)NCCN(c2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC001573358243 947660112 /nfs/dbraw/zinc/66/01/12/947660112.db2.gz DINSCRACFAHLOY-UHFFFAOYSA-N 0 1 376.424 1.699 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573625192 947698255 /nfs/dbraw/zinc/69/82/55/947698255.db2.gz NPOAHCMJQREXFL-CHWSQXEVSA-N 0 1 381.415 1.639 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573369824 947776069 /nfs/dbraw/zinc/77/60/69/947776069.db2.gz XKAAAWIQVWEJPA-SMDDNHRTSA-N 0 1 376.486 1.624 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573369824 947776081 /nfs/dbraw/zinc/77/60/81/947776081.db2.gz XKAAAWIQVWEJPA-SMDDNHRTSA-N 0 1 376.486 1.624 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001573373127 947789008 /nfs/dbraw/zinc/78/90/08/947789008.db2.gz AZSQRGRGCOWDAB-JKSUJKDBSA-N 0 1 383.456 1.282 20 0 GDADMN Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000327913421 971433273 /nfs/dbraw/zinc/43/32/73/971433273.db2.gz ZIFFZIUJQSYXBX-ZDUSSCGKSA-N 0 1 388.511 1.630 20 0 GDADMN Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000327913421 971433278 /nfs/dbraw/zinc/43/32/78/971433278.db2.gz ZIFFZIUJQSYXBX-ZDUSSCGKSA-N 0 1 388.511 1.630 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H](C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573380517 947860745 /nfs/dbraw/zinc/86/07/45/947860745.db2.gz DQNQXYIBTVUKNF-QMMMGPOBSA-N 0 1 385.881 1.677 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573383916 947899773 /nfs/dbraw/zinc/89/97/73/947899773.db2.gz ZTWXGOLLZWOZCM-OAHLLOKOSA-N 0 1 388.447 1.703 20 0 GDADMN C[C@@H](C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573651033 947918270 /nfs/dbraw/zinc/91/82/70/947918270.db2.gz IMABSOAQNXWYFV-SRENCEJNSA-N 0 1 380.821 1.356 20 0 GDADMN C[C@H](C(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573652497 947939987 /nfs/dbraw/zinc/93/99/87/947939987.db2.gz CVMAZSLUNPFTQP-PSLIRLAXSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573652870 947948890 /nfs/dbraw/zinc/94/88/90/947948890.db2.gz HSUPORXCZCWWHH-ZWNOBZJWSA-N 0 1 384.469 1.251 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343886 947996907 /nfs/dbraw/zinc/99/69/07/947996907.db2.gz PXRJRJOMKUZPJY-CQSZACIVSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343886 947996911 /nfs/dbraw/zinc/99/69/11/947996911.db2.gz PXRJRJOMKUZPJY-CQSZACIVSA-N 0 1 395.467 1.829 20 0 GDADMN C[C@@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1)C(F)(F)F ZINC001573663102 948032198 /nfs/dbraw/zinc/03/21/98/948032198.db2.gz IXKGLSRLHRIBBS-JTQLQIEISA-N 0 1 383.378 1.723 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346725 948043539 /nfs/dbraw/zinc/04/35/39/948043539.db2.gz UMTVMCVCFCRBOV-SWLSCSKDSA-N 0 1 381.440 1.485 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346725 948043550 /nfs/dbraw/zinc/04/35/50/948043550.db2.gz UMTVMCVCFCRBOV-SWLSCSKDSA-N 0 1 381.440 1.485 20 0 GDADMN C[C@H](C(=O)N[C@@]1(CO)CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573664639 948056913 /nfs/dbraw/zinc/05/69/13/948056913.db2.gz WBZVBOJFUCSNCX-XOBRGWDASA-N 0 1 384.484 1.356 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)C(C)(F)F ZINC001573673362 948113401 /nfs/dbraw/zinc/11/34/01/948113401.db2.gz KREOMTKRQIBLKU-NKWVEPMBSA-N 0 1 391.835 1.963 20 0 GDADMN C[C@H](C(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CCC1 ZINC001573680501 948180361 /nfs/dbraw/zinc/18/03/61/948180361.db2.gz OFKCRNCVFWFZBZ-CBAPKCEASA-N 0 1 385.881 1.302 20 0 GDADMN C[C@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573681933 948217490 /nfs/dbraw/zinc/21/74/90/948217490.db2.gz ZHHHFKATVQCXJQ-DGCLKSJQSA-N 0 1 378.452 1.255 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573691073 948235088 /nfs/dbraw/zinc/23/50/88/948235088.db2.gz HIIOCDBLDLBGOH-DGCLKSJQSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573691073 948235093 /nfs/dbraw/zinc/23/50/93/948235093.db2.gz HIIOCDBLDLBGOH-DGCLKSJQSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1)C1CCC1 ZINC001573692087 948255137 /nfs/dbraw/zinc/25/51/37/948255137.db2.gz LIAJAHXVYZIXET-CYBMUJFWSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573702314 948344969 /nfs/dbraw/zinc/34/49/69/948344969.db2.gz DSTKMBUXTJYSMF-YPMHNXCESA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573703667 948357112 /nfs/dbraw/zinc/35/71/12/948357112.db2.gz LXXRUCNEUGJKQV-NEPJUHHUSA-N 0 1 379.415 1.886 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573703670 948357552 /nfs/dbraw/zinc/35/75/52/948357552.db2.gz LXXRUCNEUGJKQV-VXGBXAGGSA-N 0 1 379.415 1.886 20 0 GDADMN O=C1[C@H](N2CCN(C3CCC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477059 948386109 /nfs/dbraw/zinc/38/61/09/948386109.db2.gz UZMHHSDVPZBRGR-GOSISDBHSA-N 0 1 381.484 1.532 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573705410 948400715 /nfs/dbraw/zinc/40/07/15/948400715.db2.gz WNIILRKHVWAQPX-KGLIPLIRSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573705510 948402735 /nfs/dbraw/zinc/40/27/35/948402735.db2.gz FSJWPGHHDMJXAX-CZUORRHYSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573707542 948435784 /nfs/dbraw/zinc/43/57/84/948435784.db2.gz PVQOORLNXJUMQR-QWHCGFSZSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573707542 948435787 /nfs/dbraw/zinc/43/57/87/948435787.db2.gz PVQOORLNXJUMQR-QWHCGFSZSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573707542 948435793 /nfs/dbraw/zinc/43/57/93/948435793.db2.gz PVQOORLNXJUMQR-QWHCGFSZSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573707542 948435797 /nfs/dbraw/zinc/43/57/97/948435797.db2.gz PVQOORLNXJUMQR-QWHCGFSZSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573707542 948435800 /nfs/dbraw/zinc/43/58/00/948435800.db2.gz PVQOORLNXJUMQR-QWHCGFSZSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573713654 948465184 /nfs/dbraw/zinc/46/51/84/948465184.db2.gz AUAIQDFLRZWFAS-NWDGAFQWSA-N 0 1 379.415 1.886 20 0 GDADMN C[C@H](C(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573714521 948472194 /nfs/dbraw/zinc/47/21/94/948472194.db2.gz HTAVNJDDLNGDLA-SECBINFHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573716907 948502602 /nfs/dbraw/zinc/50/26/02/948502602.db2.gz JOZBZOXJZQMVGB-RYUDHWBXSA-N 0 1 384.419 1.328 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1c(F)cccc1F ZINC001573720727 948533726 /nfs/dbraw/zinc/53/37/26/948533726.db2.gz SJQFJERKYGXMTO-JTQLQIEISA-N 0 1 388.382 1.291 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573727393 948553338 /nfs/dbraw/zinc/55/33/38/948553338.db2.gz MXOLQWRIJRHYRG-VIRABCJISA-N 0 1 382.472 1.566 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H](C)n1cccc1 ZINC001573741626 948657036 /nfs/dbraw/zinc/65/70/36/948657036.db2.gz DZPAPLDYUKGIIB-BDAKNGLRSA-N 0 1 380.865 1.956 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573753403 948719530 /nfs/dbraw/zinc/71/95/30/948719530.db2.gz TVNOKADDCOKAHO-WCZJQEMASA-N 0 1 392.467 1.546 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573753731 948720609 /nfs/dbraw/zinc/72/06/09/948720609.db2.gz XKKUVARKITWFTL-RZFFKMDDSA-N 0 1 391.439 1.081 20 0 GDADMN CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420857 948807074 /nfs/dbraw/zinc/80/70/74/948807074.db2.gz CBIJCUFVZGDFAE-GFCCVEGCSA-N 0 1 382.428 1.772 20 0 GDADMN CC(C)c1ccoc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574421099 948813919 /nfs/dbraw/zinc/81/39/19/948813919.db2.gz GQWGGIVJGSQGQE-LBPRGKRZSA-N 0 1 382.428 1.724 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573762714 948861771 /nfs/dbraw/zinc/86/17/71/948861771.db2.gz ZIDJHGMAGRPOTB-HNNXBMFYSA-N 0 1 391.479 1.922 20 0 GDADMN C[C@H](CNC(=O)CCCc1ccccn1)CNc1ccncc1-c1nn[nH]n1 ZINC001574919397 948877574 /nfs/dbraw/zinc/87/75/74/948877574.db2.gz YNOUUWOIJSDQLD-AWEZNQCLSA-N 0 1 380.456 1.266 20 0 GDADMN C[C@@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574684745 948883110 /nfs/dbraw/zinc/88/31/10/948883110.db2.gz LYYRLAZNAJOBTK-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574684745 948883158 /nfs/dbraw/zinc/88/31/58/948883158.db2.gz LYYRLAZNAJOBTK-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574684745 948883170 /nfs/dbraw/zinc/88/31/70/948883170.db2.gz LYYRLAZNAJOBTK-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)c1nc([C@H]2CCCCN2C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)no1 ZINC001574426636 948891218 /nfs/dbraw/zinc/89/12/18/948891218.db2.gz UNXPCRAGQLETCZ-GHMZBOCLSA-N 0 1 386.420 1.279 20 0 GDADMN C[C@H](CNC(=O)CCc1nccs1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920264 948895598 /nfs/dbraw/zinc/89/55/98/948895598.db2.gz HCOIMVGKEXAGAT-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN C[C@H](CNC(=O)CCc1nccs1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920264 948895613 /nfs/dbraw/zinc/89/56/13/948895613.db2.gz HCOIMVGKEXAGAT-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)CCC[NH+](C)C ZINC001574685228 948902324 /nfs/dbraw/zinc/90/23/24/948902324.db2.gz TZXLLKRTCXACDX-SECBINFHSA-N 0 1 386.913 1.625 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573765820 948926928 /nfs/dbraw/zinc/92/69/28/948926928.db2.gz KLBFVXUXNSMICN-AWEZNQCLSA-N 0 1 378.440 1.069 20 0 GDADMN CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575236167 948938998 /nfs/dbraw/zinc/93/89/98/948938998.db2.gz WTHJPVUDTQYMJX-LLVKDONJSA-N 0 1 380.403 1.307 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573771696 948943803 /nfs/dbraw/zinc/94/38/03/948943803.db2.gz LBMBFFDNDMSCCM-JSGCOSHPSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)c1ncsc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574433851 948967989 /nfs/dbraw/zinc/96/79/89/948967989.db2.gz SLIVFJIXSHGCEL-UHFFFAOYSA-N 0 1 385.457 1.033 20 0 GDADMN CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574439252 949008742 /nfs/dbraw/zinc/00/87/42/949008742.db2.gz DPBBCLOKRDDKAM-JTQLQIEISA-N 0 1 387.473 1.491 20 0 GDADMN CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001574092041 949039815 /nfs/dbraw/zinc/03/98/15/949039815.db2.gz QVFVQJFCAPGCRH-ACJLOTCBSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575503223 949044959 /nfs/dbraw/zinc/04/49/59/949044959.db2.gz NSOKBHVXDVROSM-ZDUSSCGKSA-N 0 1 382.428 1.019 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCC1 ZINC001573779443 949061818 /nfs/dbraw/zinc/06/18/18/949061818.db2.gz IDTRBEDUQNWZOS-AWEZNQCLSA-N 0 1 384.488 1.079 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574442719 949098799 /nfs/dbraw/zinc/09/87/99/949098799.db2.gz RWKQHSHOQAMXKU-HNNXBMFYSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574695159 949104778 /nfs/dbraw/zinc/10/47/78/949104778.db2.gz CYWSIQDTMHSSDN-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574695159 949104799 /nfs/dbraw/zinc/10/47/99/949104799.db2.gz CYWSIQDTMHSSDN-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574695159 949104812 /nfs/dbraw/zinc/10/48/12/949104812.db2.gz CYWSIQDTMHSSDN-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574695159 949104820 /nfs/dbraw/zinc/10/48/20/949104820.db2.gz CYWSIQDTMHSSDN-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001574094240 949133045 /nfs/dbraw/zinc/13/30/45/949133045.db2.gz YGTGKWNZPIIUON-JKSUJKDBSA-N 0 1 392.467 1.599 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574934089 949146963 /nfs/dbraw/zinc/14/69/63/949146963.db2.gz BRQPMWRZENJBGT-NSHDSACASA-N 0 1 387.831 1.333 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573783202 949146891 /nfs/dbraw/zinc/14/68/91/949146891.db2.gz XRJXKSSWEJBIEP-MGCOHNPYSA-N 0 1 383.378 1.579 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574447507 949162771 /nfs/dbraw/zinc/16/27/71/949162771.db2.gz QNOMXSVHBMJWQB-LLVKDONJSA-N 0 1 383.416 1.167 20 0 GDADMN C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935594 949198529 /nfs/dbraw/zinc/19/85/29/949198529.db2.gz CYJYPNSWQYACEU-GFCCVEGCSA-N 0 1 391.439 1.322 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574935404 949199365 /nfs/dbraw/zinc/19/93/65/949199365.db2.gz BNNATSRFYZZRFS-LLVKDONJSA-N 0 1 386.847 1.139 20 0 GDADMN CC(C)c1ocnc1C(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001574449420 949202603 /nfs/dbraw/zinc/20/26/03/949202603.db2.gz RMSJCOCAAZHRMJ-UHFFFAOYSA-N 0 1 379.384 1.870 20 0 GDADMN CC(C)c1oncc1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574451106 949218119 /nfs/dbraw/zinc/21/81/19/949218119.db2.gz CBOQDTDNZODXFB-UHFFFAOYSA-N 0 1 381.440 1.840 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574937643 949227828 /nfs/dbraw/zinc/22/78/28/949227828.db2.gz OYOXWNFAARGKAE-GFCCVEGCSA-N 0 1 386.406 1.982 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001575854393 949232770 /nfs/dbraw/zinc/23/27/70/949232770.db2.gz UGNBDWOKAHOMKD-MCIONIFRSA-N 0 1 382.472 1.308 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1 ZINC001589605674 949259018 /nfs/dbraw/zinc/25/90/18/949259018.db2.gz UOJSDQMBSXCIAO-QKLQHJQFSA-N 0 1 376.453 1.945 20 0 GDADMN CC(C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574105434 949260246 /nfs/dbraw/zinc/26/02/46/949260246.db2.gz BAQJWTCPCRKRHY-GJZGRUSLSA-N 0 1 384.488 1.910 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1 ZINC001589605675 949261208 /nfs/dbraw/zinc/26/12/08/949261208.db2.gz UOJSDQMBSXCIAO-SQGPQFPESA-N 0 1 376.453 1.945 20 0 GDADMN CC(C)c1scnc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574452831 949267072 /nfs/dbraw/zinc/26/70/72/949267072.db2.gz NRFBJIPRHQEMGX-AOOOYVTPSA-N 0 1 385.457 1.031 20 0 GDADMN C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576153323 949278654 /nfs/dbraw/zinc/27/86/54/949278654.db2.gz LVCGZAHIPFOWJE-BFUOFWGJSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc3cc(-c4nn[nH]n4)ccc3[nH]1)CS2 ZINC001575860069 949286506 /nfs/dbraw/zinc/28/65/06/949286506.db2.gz CFNWGTLPVNVATB-BDJLRTHQSA-N 0 1 384.425 1.136 20 0 GDADMN C[C@H](CNC(=O)Cc1ccco1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942321 949349701 /nfs/dbraw/zinc/34/97/01/949349701.db2.gz YLMOKWSQPMOOFQ-MRVPVSSYSA-N 0 1 381.849 1.753 20 0 GDADMN C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576154722 949357896 /nfs/dbraw/zinc/35/78/96/949357896.db2.gz RNEOGYHTPYNAJI-UONOGXRCSA-N 0 1 388.476 1.147 20 0 GDADMN CC(C)n1ccc(CNC2CC(N(C)C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574459871 949369469 /nfs/dbraw/zinc/36/94/69/949369469.db2.gz NJXXXVURUCACHO-UHFFFAOYSA-N 0 1 383.460 1.365 20 0 GDADMN C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575865376 949374566 /nfs/dbraw/zinc/37/45/66/949374566.db2.gz AHWADWXNMZGECD-VHSXEESVSA-N 0 1 380.403 1.422 20 0 GDADMN C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575262527 949378434 /nfs/dbraw/zinc/37/84/34/949378434.db2.gz BFZSJJSMVXWBPX-XCLFUZPHSA-N 0 1 384.484 1.354 20 0 GDADMN CC1(C)CN(C(=O)[C@@]2(C)CC=CCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575527947 949386149 /nfs/dbraw/zinc/38/61/49/949386149.db2.gz KEDABIQKVACUQF-DJJJIMSYSA-N 0 1 382.472 1.474 20 0 GDADMN CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573802016 949409863 /nfs/dbraw/zinc/40/98/63/949409863.db2.gz BVVJABYDSPQKKW-HNNXBMFYSA-N 0 1 392.467 1.923 20 0 GDADMN C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263849 949413054 /nfs/dbraw/zinc/41/30/54/949413054.db2.gz KGYXOOVKXFHXGA-ADLMAVQZSA-N 0 1 390.513 1.416 20 0 GDADMN CC(C)CC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O ZINC001574116579 949430272 /nfs/dbraw/zinc/43/02/72/949430272.db2.gz ARIOQPKHVYVMPE-DTWKUNHWSA-N 0 1 385.881 1.079 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1=NN(C)CC1=O ZINC001575264739 949432862 /nfs/dbraw/zinc/43/28/62/949432862.db2.gz PWEINVJVXDKINZ-BXUZGUMPSA-N 0 1 382.428 1.152 20 0 GDADMN CC(C)n1nccc1C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574469457 949482364 /nfs/dbraw/zinc/48/23/64/949482364.db2.gz DQNDKDIFNDBUFS-UHFFFAOYSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)CC(=O)NCCN1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001574123016 949534610 /nfs/dbraw/zinc/53/46/10/949534610.db2.gz AZZPVGFLDQZKNX-UHFFFAOYSA-N 0 1 390.467 1.439 20 0 GDADMN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001574951346 949559852 /nfs/dbraw/zinc/55/98/52/949559852.db2.gz ZJXKWCNAKSMRGS-VIFPVBQESA-N 0 1 386.416 1.842 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001576165310 949562761 /nfs/dbraw/zinc/56/27/61/949562761.db2.gz JIWWJKLUKWQIMD-CJNGLKHVSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001574475629 949573308 /nfs/dbraw/zinc/57/33/08/949573308.db2.gz BPPBBJKMCUYASM-TZMCWYRMSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001574475629 949573329 /nfs/dbraw/zinc/57/33/29/949573329.db2.gz BPPBBJKMCUYASM-TZMCWYRMSA-N 0 1 392.529 1.616 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574129732 949644616 /nfs/dbraw/zinc/64/46/16/949644616.db2.gz WJVJLINLSMEEBR-GFCCVEGCSA-N 0 1 380.518 1.567 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CC12CCCC2 ZINC001573815214 949646461 /nfs/dbraw/zinc/64/64/61/949646461.db2.gz GWCFMQVHRBPROF-OLZOCXBDSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574477453 949656992 /nfs/dbraw/zinc/65/69/92/949656992.db2.gz RHJVGMDTWOKMIS-KBPBESRZSA-N 0 1 389.504 1.377 20 0 GDADMN C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574958279 949662789 /nfs/dbraw/zinc/66/27/89/949662789.db2.gz ORNYFARRRUPSAW-KBPBESRZSA-N 0 1 381.440 1.206 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574716430 949694070 /nfs/dbraw/zinc/69/40/70/949694070.db2.gz OJQSEVWBABAWJG-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCC1CCCC1 ZINC001573817136 949694064 /nfs/dbraw/zinc/69/40/64/949694064.db2.gz XNGLLWURFLDDJI-AWEZNQCLSA-N 0 1 386.504 1.992 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574960275 949724778 /nfs/dbraw/zinc/72/47/78/949724778.db2.gz WBBZCLDIMFBGMN-WCFLWFBJSA-N 0 1 384.469 1.108 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575881662 949727333 /nfs/dbraw/zinc/72/73/33/949727333.db2.gz ZKYZFLCDBJUKDS-UWVGGRQHSA-N 0 1 384.366 1.473 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573818278 949727780 /nfs/dbraw/zinc/72/77/80/949727780.db2.gz JQYBDNQKPJQZRF-CQSZACIVSA-N 0 1 382.428 1.041 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573818248 949728723 /nfs/dbraw/zinc/72/87/23/949728723.db2.gz IZCFTJILNYUEFX-XJKSGUPXSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1cccc1 ZINC001573818449 949732318 /nfs/dbraw/zinc/73/23/18/949732318.db2.gz LQRIEOBONXWYTD-INIZCTEOSA-N 0 1 382.472 1.518 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574717385 949739524 /nfs/dbraw/zinc/73/95/24/949739524.db2.gz VNXOHTJVDSWNSW-SWLSCSKDSA-N 0 1 376.436 1.511 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170925 949744493 /nfs/dbraw/zinc/74/44/93/949744493.db2.gz OJCHOFULFMBBIJ-HIFRSBDPSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170925 949744505 /nfs/dbraw/zinc/74/45/05/949744505.db2.gz OJCHOFULFMBBIJ-HIFRSBDPSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@]1(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CCCC2)CCOC1 ZINC001575558835 949745412 /nfs/dbraw/zinc/74/54/12/949745412.db2.gz SMSVKRRYTLTKNF-VQIMIIECSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](NC(=O)CCc1cn[nH]c1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575277304 949746172 /nfs/dbraw/zinc/74/61/72/949746172.db2.gz PVKMHAFGNMJDLV-NSHDSACASA-N 0 1 386.485 1.221 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574480420 949749528 /nfs/dbraw/zinc/74/95/28/949749528.db2.gz IGYIEMYBERHLMQ-UONOGXRCSA-N 0 1 381.440 1.731 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@]1(C)CCOC1 ZINC001575559602 949758152 /nfs/dbraw/zinc/75/81/52/949758152.db2.gz WSNVVGCDBSWKBC-RDTXWAMCSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@]1(C)CCOC1 ZINC001575559602 949758171 /nfs/dbraw/zinc/75/81/71/949758171.db2.gz WSNVVGCDBSWKBC-RDTXWAMCSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001575559599 949760037 /nfs/dbraw/zinc/76/00/37/949760037.db2.gz WSNVVGCDBSWKBC-KDOFPFPSSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001575559599 949760060 /nfs/dbraw/zinc/76/00/60/949760060.db2.gz WSNVVGCDBSWKBC-KDOFPFPSSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575559684 949765181 /nfs/dbraw/zinc/76/51/81/949765181.db2.gz XWLQVVYDLWSANE-KXBFYZLASA-N 0 1 387.488 1.443 20 0 GDADMN C[C@H](NC(=O)CCc1ccccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575279525 949785401 /nfs/dbraw/zinc/78/54/01/949785401.db2.gz YNFGKUAANMABPB-HNNXBMFYSA-N 0 1 391.479 1.831 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001574481954 949813431 /nfs/dbraw/zinc/81/34/31/949813431.db2.gz XXORCQYKAMAXPC-QWHCGFSZSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001574481954 949813447 /nfs/dbraw/zinc/81/34/47/949813447.db2.gz XXORCQYKAMAXPC-QWHCGFSZSA-N 0 1 386.485 1.467 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575281741 949815148 /nfs/dbraw/zinc/81/51/48/949815148.db2.gz AOWPSWZGRTUMNP-BDAKNGLRSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575281741 949815170 /nfs/dbraw/zinc/81/51/70/949815170.db2.gz AOWPSWZGRTUMNP-BDAKNGLRSA-N 0 1 386.913 1.622 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccco1 ZINC001574483882 949842592 /nfs/dbraw/zinc/84/25/92/949842592.db2.gz OGPVQVXYAVHMJA-MELADBBJSA-N 0 1 394.439 1.481 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574484318 949875519 /nfs/dbraw/zinc/87/55/19/949875519.db2.gz ZBBRBXLBWAZJFN-HIFRSBDPSA-N 0 1 378.440 1.285 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574484319 949877620 /nfs/dbraw/zinc/87/76/20/949877620.db2.gz ZBBRBXLBWAZJFN-UKRRQHHQSA-N 0 1 378.440 1.285 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001574484499 949881101 /nfs/dbraw/zinc/88/11/01/949881101.db2.gz HWPHYJRJUREJMU-HUUCEWRRSA-N 0 1 380.456 1.539 20 0 GDADMN C[C@H](CC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574484627 949891881 /nfs/dbraw/zinc/89/18/81/949891881.db2.gz KXQPJRFJHATBJD-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574484626 949893630 /nfs/dbraw/zinc/89/36/30/949893630.db2.gz KXQPJRFJHATBJD-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)/C=C\C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573826010 949902001 /nfs/dbraw/zinc/90/20/01/949902001.db2.gz DWESNQQPXNAKKG-BRLPQQTGSA-N 0 1 385.472 1.315 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)CC(C)(C)C ZINC001574484867 949907812 /nfs/dbraw/zinc/90/78/12/949907812.db2.gz QILZYEKCMJUDRX-KBPBESRZSA-N 0 1 386.504 1.944 20 0 GDADMN C[C@@H](NC(=O)CN1CCCC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284858 949923390 /nfs/dbraw/zinc/92/33/90/949923390.db2.gz KNERDNDEJDDHJH-GHMZBOCLSA-N 0 1 378.868 1.316 20 0 GDADMN C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001574485700 949929848 /nfs/dbraw/zinc/92/98/48/949929848.db2.gz ZCACDBUMYCIECX-CQSZACIVSA-N 0 1 381.444 1.148 20 0 GDADMN CC1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CC(F)(F)C1 ZINC001575569843 949935777 /nfs/dbraw/zinc/93/57/77/949935777.db2.gz PAWXQXATFYVJBZ-AWEZNQCLSA-N 0 1 376.411 1.993 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575285311 949942150 /nfs/dbraw/zinc/94/21/50/949942150.db2.gz MTLOHAMHSUFQAX-DTWKUNHWSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575285311 949942163 /nfs/dbraw/zinc/94/21/63/949942163.db2.gz MTLOHAMHSUFQAX-DTWKUNHWSA-N 0 1 386.913 1.622 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574490319 949986228 /nfs/dbraw/zinc/98/62/28/949986228.db2.gz PUMMNSNIEVKZNC-IIAWOOMASA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575286764 949989170 /nfs/dbraw/zinc/98/91/70/949989170.db2.gz YQIOILSTEZECAF-GJZGRUSLSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574728492 949990932 /nfs/dbraw/zinc/99/09/32/949990932.db2.gz BKCDOGAPMGUFQK-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cccnc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574728475 949991757 /nfs/dbraw/zinc/99/17/57/949991757.db2.gz BDUUGIWDKNNMNT-CYBMUJFWSA-N 0 1 383.431 1.580 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891251 949994275 /nfs/dbraw/zinc/99/42/75/949994275.db2.gz GYHZQFPSFOIYEK-ZJUUUORDSA-N 0 1 387.835 1.426 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001576182380 950049814 /nfs/dbraw/zinc/04/98/14/950049814.db2.gz OENVZJXFWOVENF-SMDDNHRTSA-N 0 1 382.432 1.123 20 0 GDADMN CC(C)C[C@H](CN[C@@H](C)c1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151016 950050954 /nfs/dbraw/zinc/05/09/54/950050954.db2.gz JLGWEBFFCYFCJJ-QWHCGFSZSA-N 0 1 383.460 1.480 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576182373 950051811 /nfs/dbraw/zinc/05/18/11/950051811.db2.gz ZHAOLZLTDVXRPD-NWDGAFQWSA-N 0 1 381.444 1.008 20 0 GDADMN O=C([O-])[C@H]1C[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)Cc2ccccc21 ZINC001595287783 950055177 /nfs/dbraw/zinc/05/51/77/950055177.db2.gz PAHRGJAKUDURJT-LPHOPBHVSA-N 0 1 396.443 1.995 20 0 GDADMN C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182974 950077449 /nfs/dbraw/zinc/07/74/49/950077449.db2.gz OEVGIPNVRQISQZ-NWDGAFQWSA-N 0 1 379.415 1.625 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cocn1 ZINC001574151642 950087807 /nfs/dbraw/zinc/08/78/07/950087807.db2.gz WXJAZWRTOWAJFW-AWEZNQCLSA-N 0 1 387.419 1.928 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574734418 950132842 /nfs/dbraw/zinc/13/28/42/950132842.db2.gz MBELPQBDUMSROZ-UNJBNNCHSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574734418 950132851 /nfs/dbraw/zinc/13/28/51/950132851.db2.gz MBELPQBDUMSROZ-UNJBNNCHSA-N 0 1 376.486 1.432 20 0 GDADMN CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1 ZINC000262514177 950134744 /nfs/dbraw/zinc/13/47/44/950134744.db2.gz MQSXFJHEMRBJPG-KURKYZTESA-N 0 1 393.528 1.810 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575897684 950144733 /nfs/dbraw/zinc/14/47/33/950144733.db2.gz QBGCEPFIOCPECT-DYVFJYSZSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576185062 950154361 /nfs/dbraw/zinc/15/43/61/950154361.db2.gz ZGPUMAMPUKMNRS-OLZOCXBDSA-N 0 1 382.428 1.415 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccco1 ZINC001574155014 950182787 /nfs/dbraw/zinc/18/27/87/950182787.db2.gz HZCMJVLTOJLSQF-CYBMUJFWSA-N 0 1 384.444 1.247 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ncccn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575900129 950190035 /nfs/dbraw/zinc/19/00/35/950190035.db2.gz CJCBOSRUICQLSZ-CZUORRHYSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)(C)CCCN1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844477 950194640 /nfs/dbraw/zinc/19/46/40/950194640.db2.gz ICVKQTCXNLPHTM-IBGZPJMESA-N 0 1 389.504 1.842 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001573845573 950234636 /nfs/dbraw/zinc/23/46/36/950234636.db2.gz HIUGTNHXYHRJJM-BYNSBNAKSA-N 0 1 396.499 1.766 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574741210 950238349 /nfs/dbraw/zinc/23/83/49/950238349.db2.gz IHLADEBQZBEJDD-DWQUBVKVSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574741210 950238373 /nfs/dbraw/zinc/23/83/73/950238373.db2.gz IHLADEBQZBEJDD-DWQUBVKVSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575902906 950272640 /nfs/dbraw/zinc/27/26/40/950272640.db2.gz YCYNSTOMWXSWCK-NHYWBVRUSA-N 0 1 384.419 1.512 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001574498519 950278535 /nfs/dbraw/zinc/27/85/35/950278535.db2.gz OMWATBMNCYBVBO-IONNQARKSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cncs1 ZINC001575904720 950281286 /nfs/dbraw/zinc/28/12/86/950281286.db2.gz AMCGVMLOYFYLTN-MWLCHTKSSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cncs1 ZINC001575904720 950281307 /nfs/dbraw/zinc/28/13/07/950281307.db2.gz AMCGVMLOYFYLTN-MWLCHTKSSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H](CC(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574498828 950286663 /nfs/dbraw/zinc/28/66/63/950286663.db2.gz PZORIFUEKSLHKP-IAQYHMDHSA-N 0 1 376.436 1.009 20 0 GDADMN CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2c[nH]nc2-c2nn[nH]n2)cc1 ZINC001573851400 950293193 /nfs/dbraw/zinc/29/31/93/950293193.db2.gz XPLQJVUQKAGGTD-UHFFFAOYSA-N 0 1 385.384 1.563 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)COCC(F)F ZINC001575906032 950303478 /nfs/dbraw/zinc/30/34/78/950303478.db2.gz GBXPVCSXMRAVOB-ONGXEEELSA-N 0 1 386.428 1.289 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)COCC(F)F ZINC001575906032 950303505 /nfs/dbraw/zinc/30/35/05/950303505.db2.gz GBXPVCSXMRAVOB-ONGXEEELSA-N 0 1 386.428 1.289 20 0 GDADMN CC1(C(=O)NC[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)CCO2)CC1 ZINC001575596822 950385752 /nfs/dbraw/zinc/38/57/52/950385752.db2.gz VRPGLBUBQGSROY-QMMMGPOBSA-N 0 1 383.865 1.098 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574503393 950411509 /nfs/dbraw/zinc/41/15/09/950411509.db2.gz VHPJVJOODBULRX-AWEZNQCLSA-N 0 1 380.456 1.263 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575597900 950424899 /nfs/dbraw/zinc/42/48/99/950424899.db2.gz ZTXBOOCHNLIRGS-KSMMKXTCSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001574507147 950452116 /nfs/dbraw/zinc/45/21/16/950452116.db2.gz DUDORLHZMCZVFR-AWEZNQCLSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc2cnccc2c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574752727 950494376 /nfs/dbraw/zinc/49/43/76/950494376.db2.gz FKIGBVKIIGOPGJ-ZDUSSCGKSA-N 0 1 388.435 1.804 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574994979 950497915 /nfs/dbraw/zinc/49/79/15/950497915.db2.gz BPDPFKSXLKCTRX-LLVKDONJSA-N 0 1 384.444 1.802 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574509232 950500526 /nfs/dbraw/zinc/50/05/26/950500526.db2.gz TZIINESESDMTHQ-UPJWGTAASA-N 0 1 382.428 1.172 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(Cl)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574752939 950503001 /nfs/dbraw/zinc/50/30/01/950503001.db2.gz GOPPNKFZXQYBNA-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1)CC1CC1 ZINC001589730750 950504116 /nfs/dbraw/zinc/50/41/16/950504116.db2.gz VKHULADFYPOHKR-GOSISDBHSA-N 0 1 393.528 1.670 20 0 GDADMN CC[N@@H+](CCC1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1)CC1CC1 ZINC001589730686 950504975 /nfs/dbraw/zinc/50/49/75/950504975.db2.gz PWVPJPOJUDPBPZ-KRWDZBQOSA-N 0 1 387.546 1.614 20 0 GDADMN CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573866747 950510635 /nfs/dbraw/zinc/51/06/35/950510635.db2.gz KYFZGRCAOQNPSZ-AWEZNQCLSA-N 0 1 387.488 1.682 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205548 950524907 /nfs/dbraw/zinc/52/49/07/950524907.db2.gz ZZDGXWYKMUJHND-XJKCOSOUSA-N 0 1 387.463 1.606 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205548 950524918 /nfs/dbraw/zinc/52/49/18/950524918.db2.gz ZZDGXWYKMUJHND-XJKCOSOUSA-N 0 1 387.463 1.606 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574509818 950531106 /nfs/dbraw/zinc/53/11/06/950531106.db2.gz YMAZUBSSAVIGBY-MXWKQRLJSA-N 0 1 383.378 1.579 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)n(C)n1 ZINC001574997296 950547093 /nfs/dbraw/zinc/54/70/93/950547093.db2.gz SPCSIVWVISSKLL-GFCCVEGCSA-N 0 1 383.460 1.019 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)c1ccccc1 ZINC001574512728 950587599 /nfs/dbraw/zinc/58/75/99/950587599.db2.gz BBTAWBZQQHITQQ-LZWOXQAQSA-N 0 1 392.467 1.934 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575617231 950598827 /nfs/dbraw/zinc/59/88/27/950598827.db2.gz YOUPQHNDXCQHES-LBPRGKRZSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575919618 950619188 /nfs/dbraw/zinc/61/91/88/950619188.db2.gz IMDKPOZHSFWTIF-TVQRCGJNSA-N 0 1 386.366 1.072 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575919617 950620671 /nfs/dbraw/zinc/62/06/71/950620671.db2.gz IMDKPOZHSFWTIF-RNCFNFMXSA-N 0 1 386.366 1.072 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576209221 950626366 /nfs/dbraw/zinc/62/63/66/950626366.db2.gz ZBBMWIOGYLKKJV-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576209221 950626378 /nfs/dbraw/zinc/62/63/78/950626378.db2.gz ZBBMWIOGYLKKJV-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575921313 950635498 /nfs/dbraw/zinc/63/54/98/950635498.db2.gz NKGWVAHWSNRRCJ-PSASIEDQSA-N 0 1 390.354 1.324 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575923490 950660050 /nfs/dbraw/zinc/66/00/50/950660050.db2.gz BQJHYELMFZOKJM-BMIGLBTASA-N 0 1 385.378 1.677 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575624072 950661445 /nfs/dbraw/zinc/66/14/45/950661445.db2.gz NQBUFICQUBJYBO-AGIUHOORSA-N 0 1 396.499 1.955 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001574519369 950678002 /nfs/dbraw/zinc/67/80/02/950678002.db2.gz UEBJNKVPNADVOB-JHJVBQTASA-N 0 1 386.485 1.513 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001574519369 950678013 /nfs/dbraw/zinc/67/80/13/950678013.db2.gz UEBJNKVPNADVOB-JHJVBQTASA-N 0 1 386.485 1.513 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575925817 950693836 /nfs/dbraw/zinc/69/38/36/950693836.db2.gz VBOOAOYTLCZZDD-LRDDRELGSA-N 0 1 390.451 1.282 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCn1cccc1 ZINC001575925862 950694151 /nfs/dbraw/zinc/69/41/51/950694151.db2.gz VPLQLCXBMIFHDM-HOCLYGCPSA-N 0 1 380.456 1.367 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575926357 950708146 /nfs/dbraw/zinc/70/81/46/950708146.db2.gz JLRTWDHUGCYSKH-RNCFNFMXSA-N 0 1 386.366 1.072 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575628872 950726401 /nfs/dbraw/zinc/72/64/01/950726401.db2.gz INOJPZIEDVALIZ-OCCSQVGLSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](CC(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1)n1cccc1 ZINC001574520435 950729307 /nfs/dbraw/zinc/72/93/07/950729307.db2.gz RTSCDZQVOCTNPF-ZDUSSCGKSA-N 0 1 377.412 1.898 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926992 950731358 /nfs/dbraw/zinc/73/13/58/950731358.db2.gz NBVACXYTDAASFY-ZWNOBZJWSA-N 0 1 380.412 1.264 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575927709 950750338 /nfs/dbraw/zinc/75/03/38/950750338.db2.gz SLODXOHQCBSRTM-BLLLJJGKSA-N 0 1 381.415 1.467 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001575629939 950753514 /nfs/dbraw/zinc/75/35/14/950753514.db2.gz VLMOSEJDWDYFOE-IRXDYDNUSA-N 0 1 384.484 1.354 20 0 GDADMN CC(C)(C)c1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573882127 950769087 /nfs/dbraw/zinc/76/90/87/950769087.db2.gz TWPTVCCVWKRXSK-HNNXBMFYSA-N 0 1 392.467 1.703 20 0 GDADMN CC(C)(C)c1cccc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001573882085 950769430 /nfs/dbraw/zinc/76/94/30/950769430.db2.gz RIMCFGWDQNHJTJ-UHFFFAOYSA-N 0 1 392.467 1.917 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575928035 950769791 /nfs/dbraw/zinc/76/97/91/950769791.db2.gz XUKPFEIASBLHBA-MLGOLLRUSA-N 0 1 391.435 1.334 20 0 GDADMN CC1(C)CC(C(=O)N[C@]23CCC[C@H]2CN(c2ccnc(-c4nn[nH]n4)n2)C3)C1 ZINC001575631494 950773559 /nfs/dbraw/zinc/77/35/59/950773559.db2.gz MOJYPUHNFGSXRN-DJJJIMSYSA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)(CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573893434 950886450 /nfs/dbraw/zinc/88/64/50/950886450.db2.gz FZNIIKRCUSMVGC-AWEZNQCLSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(CC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573893516 950890654 /nfs/dbraw/zinc/89/06/54/950890654.db2.gz JXVFYHMDLWTXME-CYBMUJFWSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573893852 950909508 /nfs/dbraw/zinc/90/95/08/950909508.db2.gz ZNZQZOYDJYOAPE-OKILXGFUSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574527949 950915696 /nfs/dbraw/zinc/91/56/96/950915696.db2.gz IWAIHYAFJZHICF-UWVGGRQHSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574527949 950915715 /nfs/dbraw/zinc/91/57/15/950915715.db2.gz IWAIHYAFJZHICF-UWVGGRQHSA-N 0 1 388.457 1.111 20 0 GDADMN CC1(C)C[C@@H](NC(=O)C2CCCC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643005 950956830 /nfs/dbraw/zinc/95/68/30/950956830.db2.gz XBWIAFPGAATUTC-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001575017137 950978469 /nfs/dbraw/zinc/97/84/69/950978469.db2.gz AOXNEMVDXQZNBS-GFCCVEGCSA-N 0 1 381.444 1.075 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575644337 950982934 /nfs/dbraw/zinc/98/29/34/950982934.db2.gz SRJCDSRXHIFPPS-CYBMUJFWSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575017284 950985302 /nfs/dbraw/zinc/98/53/02/950985302.db2.gz CNXVQUGHPGYIJL-SNVBAGLBSA-N 0 1 388.382 1.421 20 0 GDADMN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+](C)CCC(=O)[O-] ZINC001591087199 951045192 /nfs/dbraw/zinc/04/51/92/951045192.db2.gz BOIOCPJRUIFDOY-UHFFFAOYSA-N 0 1 399.469 1.280 20 0 GDADMN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+](C)CCC(=O)[O-] ZINC001591087199 951045203 /nfs/dbraw/zinc/04/52/03/951045203.db2.gz BOIOCPJRUIFDOY-UHFFFAOYSA-N 0 1 399.469 1.280 20 0 GDADMN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+](C)CCCC(=O)[O-] ZINC001591087809 951048405 /nfs/dbraw/zinc/04/84/05/951048405.db2.gz KSJXGFCHWOJSOL-UHFFFAOYSA-N 0 1 399.469 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575020207 951053987 /nfs/dbraw/zinc/05/39/87/951053987.db2.gz ZTRDMSCZCHDMTF-QMMMGPOBSA-N 0 1 378.343 1.442 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001575024842 951117255 /nfs/dbraw/zinc/11/72/55/951117255.db2.gz NPVHBIVANDGDQP-VIFPVBQESA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575025094 951125584 /nfs/dbraw/zinc/12/55/84/951125584.db2.gz UXNFWGCLWRQXET-LBPRGKRZSA-N 0 1 379.424 1.192 20 0 GDADMN C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575025375 951130626 /nfs/dbraw/zinc/13/06/26/951130626.db2.gz YOINTTQSYAFWKW-LLVKDONJSA-N 0 1 384.419 1.119 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575025934 951135747 /nfs/dbraw/zinc/13/57/47/951135747.db2.gz CYHMHZLUPNSBHD-QMMMGPOBSA-N 0 1 392.345 1.386 20 0 GDADMN C[C@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575026758 951148109 /nfs/dbraw/zinc/14/81/09/951148109.db2.gz NBIPQHRCKQAEOL-GFCCVEGCSA-N 0 1 378.440 1.789 20 0 GDADMN C[C@H](CNC(=O)c1ccnnc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575033920 951231650 /nfs/dbraw/zinc/23/16/50/951231650.db2.gz DXQSTBBXTAXRTO-SSDOTTSWSA-N 0 1 379.837 1.021 20 0 GDADMN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(C(=O)[O-])CCOCC1 ZINC001591997631 951272542 /nfs/dbraw/zinc/27/25/42/951272542.db2.gz FUIYNSWZJROLBX-QZTJIDSGSA-N 0 1 390.480 1.521 20 0 GDADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000389798648 951358344 /nfs/dbraw/zinc/35/83/44/951358344.db2.gz QRBPJZVSOOSEEC-YOEHRIQHSA-N 0 1 381.498 1.138 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575044629 951416261 /nfs/dbraw/zinc/41/62/61/951416261.db2.gz SWPXSOMYUDLZRN-SNVBAGLBSA-N 0 1 384.469 1.850 20 0 GDADMN C[C@H](CNC(=O)c1cnns1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575055588 951509193 /nfs/dbraw/zinc/50/91/93/951509193.db2.gz XWWHECRJLSKIKV-RXMQYKEDSA-N 0 1 385.866 1.083 20 0 GDADMN C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575061546 951559537 /nfs/dbraw/zinc/55/95/37/951559537.db2.gz NGVHYAAFQFWHOO-ZETCQYMHSA-N 0 1 379.837 1.021 20 0 GDADMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000398779947 951610666 /nfs/dbraw/zinc/61/06/66/951610666.db2.gz JQRJXUMEKJUVQD-QWRGUYRKSA-N 0 1 380.242 2.000 20 0 GDADMN CC(C)c1nnsc1C(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575068574 951636811 /nfs/dbraw/zinc/63/68/11/951636811.db2.gz BEOQFEVWKZFUSB-JTQLQIEISA-N 0 1 387.473 1.137 20 0 GDADMN C[C@@H](CNC(=O)c1ocnc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575068572 951636861 /nfs/dbraw/zinc/63/68/61/951636861.db2.gz BEADFBSZIPXKHN-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575070203 951650824 /nfs/dbraw/zinc/65/08/24/951650824.db2.gz PEXUZOOQCCCMNZ-JTQLQIEISA-N 0 1 387.469 1.703 20 0 GDADMN C[C@@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575070203 951650832 /nfs/dbraw/zinc/65/08/32/951650832.db2.gz PEXUZOOQCCCMNZ-JTQLQIEISA-N 0 1 387.469 1.703 20 0 GDADMN C[C@H](CNCc1cc(C(C)(C)C)on1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077392 951667390 /nfs/dbraw/zinc/66/73/90/951667390.db2.gz CIBJZTUYRQWTKR-LLVKDONJSA-N 0 1 386.460 1.636 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575088657 951741417 /nfs/dbraw/zinc/74/14/17/951741417.db2.gz ADFGALQLUIFKNB-NHYWBVRUSA-N 0 1 382.440 1.958 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575088657 951741421 /nfs/dbraw/zinc/74/14/21/951741421.db2.gz ADFGALQLUIFKNB-NHYWBVRUSA-N 0 1 382.440 1.958 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1(O)CCC1 ZINC001575090664 951763414 /nfs/dbraw/zinc/76/34/14/951763414.db2.gz NBRBNGPEVMPSLQ-LBPRGKRZSA-N 0 1 376.436 1.247 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ncccc1F ZINC001575091519 951779102 /nfs/dbraw/zinc/77/91/02/951779102.db2.gz TYUBIFJIUIIUMP-LLVKDONJSA-N 0 1 387.394 1.790 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575091931 951787981 /nfs/dbraw/zinc/78/79/81/951787981.db2.gz ZEXMFWPTNHTQCV-CZUORRHYSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001575100910 951848865 /nfs/dbraw/zinc/84/88/65/951848865.db2.gz WORZPLBBCARMHQ-LBPRGKRZSA-N 0 1 388.501 1.861 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001575100910 951848875 /nfs/dbraw/zinc/84/88/75/951848875.db2.gz WORZPLBBCARMHQ-LBPRGKRZSA-N 0 1 388.501 1.861 20 0 GDADMN C[C@@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101125 951854222 /nfs/dbraw/zinc/85/42/22/951854222.db2.gz ZVHQCIJUUSHLKQ-LLVKDONJSA-N 0 1 391.526 1.859 20 0 GDADMN C[C@@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101125 951854229 /nfs/dbraw/zinc/85/42/29/951854229.db2.gz ZVHQCIJUUSHLKQ-LLVKDONJSA-N 0 1 391.526 1.859 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575101287 951855410 /nfs/dbraw/zinc/85/54/10/951855410.db2.gz BLIACDDVVJSBHW-JTQLQIEISA-N 0 1 386.485 1.390 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575101287 951855415 /nfs/dbraw/zinc/85/54/15/951855415.db2.gz BLIACDDVVJSBHW-JTQLQIEISA-N 0 1 386.485 1.390 20 0 GDADMN C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)CCCCc1cn[nH]n1 ZINC001575123636 952016207 /nfs/dbraw/zinc/01/62/07/952016207.db2.gz PUJTZCWKCHROAG-LBPRGKRZSA-N 0 1 384.448 1.052 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575136882 952129699 /nfs/dbraw/zinc/12/96/99/952129699.db2.gz QRBKJDWKMCNUHU-UGSOOPFHSA-N 0 1 382.472 1.356 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575141517 952144500 /nfs/dbraw/zinc/14/45/00/952144500.db2.gz HTXJNISSGLKEPA-KSMMKXTCSA-N 0 1 382.472 1.212 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccsc1Cl ZINC001575143908 952159678 /nfs/dbraw/zinc/15/96/78/952159678.db2.gz DPEDOWIDYVQUKO-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575144806 952172276 /nfs/dbraw/zinc/17/22/76/952172276.db2.gz LUXMRMNVXXSGOP-MRXNPFEDSA-N 0 1 388.819 1.336 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575145453 952184087 /nfs/dbraw/zinc/18/40/87/952184087.db2.gz XWMFTXIWAKEQFA-ORAYPTAESA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc(C(F)F)c1 ZINC001575145492 952185662 /nfs/dbraw/zinc/18/56/62/952185662.db2.gz YRGMIQHRUYUYOA-SNVBAGLBSA-N 0 1 388.382 1.589 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575146003 952190591 /nfs/dbraw/zinc/19/05/91/952190591.db2.gz FMTCWKVKNVXEGF-XHDPSFHLSA-N 0 1 381.415 1.421 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575146619 952195363 /nfs/dbraw/zinc/19/53/63/952195363.db2.gz MHPSFANOTGGUFJ-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575155297 952236441 /nfs/dbraw/zinc/23/64/41/952236441.db2.gz KSNXZPSWPHJTSG-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575155297 952236450 /nfs/dbraw/zinc/23/64/50/952236450.db2.gz KSNXZPSWPHJTSG-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@](CNc1ncc(-c2nn[nH]n2)cc1Cl)(NC(=O)c1cnn[nH]1)C1CC1 ZINC001575164553 952295210 /nfs/dbraw/zinc/29/52/10/952295210.db2.gz FMYXTWGMHGSKSC-HNNXBMFYSA-N 0 1 388.823 1.044 20 0 GDADMN C[C@@H](Cc1ccccc1F)C(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001575187469 952441308 /nfs/dbraw/zinc/44/13/08/952441308.db2.gz BTNVBVSBAZPRLG-LBPRGKRZSA-N 0 1 384.419 1.015 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575196140 952474405 /nfs/dbraw/zinc/47/44/05/952474405.db2.gz DOMKFKHYDOCVGW-PBFPGSCMSA-N 0 1 381.440 1.414 20 0 GDADMN C=Cc1ccc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571120758 952508918 /nfs/dbraw/zinc/50/89/18/952508918.db2.gz QRLPCDLNQPRBGF-UHFFFAOYSA-N 0 1 376.424 1.437 20 0 GDADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1cscn1 ZINC001571120827 952509876 /nfs/dbraw/zinc/50/98/76/952509876.db2.gz RLWXGNNDTBUOOL-JTQLQIEISA-N 0 1 375.483 1.637 20 0 GDADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1cscn1 ZINC001571120827 952509883 /nfs/dbraw/zinc/50/98/83/952509883.db2.gz RLWXGNNDTBUOOL-JTQLQIEISA-N 0 1 375.483 1.637 20 0 GDADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1cscn1 ZINC001571120827 952509889 /nfs/dbraw/zinc/50/98/89/952509889.db2.gz RLWXGNNDTBUOOL-JTQLQIEISA-N 0 1 375.483 1.637 20 0 GDADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1cscn1 ZINC001571120827 952509895 /nfs/dbraw/zinc/50/98/95/952509895.db2.gz RLWXGNNDTBUOOL-JTQLQIEISA-N 0 1 375.483 1.637 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@]2(C1)CCCN(C/C=C/Cl)C2 ZINC001571120942 952511377 /nfs/dbraw/zinc/51/13/77/952511377.db2.gz SEQJEAYDGWJZRL-WAUBUAMCSA-N 0 1 375.864 1.875 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571121183 952516056 /nfs/dbraw/zinc/51/60/56/952516056.db2.gz XUOIJSOBBFXXRK-STQMWFEESA-N 0 1 375.502 1.606 20 0 GDADMN O=C(NC[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCC(F)(F)C1 ZINC001571121293 952519531 /nfs/dbraw/zinc/51/95/31/952519531.db2.gz XUHAQLGUMZATGU-JSGCOSHPSA-N 0 1 376.411 1.993 20 0 GDADMN C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575207842 952535213 /nfs/dbraw/zinc/53/52/13/952535213.db2.gz TXEYVGWKXVHAFA-NEPJUHHUSA-N 0 1 388.501 1.135 20 0 GDADMN C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575207842 952535219 /nfs/dbraw/zinc/53/52/19/952535219.db2.gz TXEYVGWKXVHAFA-NEPJUHHUSA-N 0 1 388.501 1.135 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571124799 952544926 /nfs/dbraw/zinc/54/49/26/952544926.db2.gz UWNIQWKLYAGWGN-ZYHUDNBSSA-N 0 1 377.399 1.235 20 0 GDADMN CCc1ccnc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571126970 952548191 /nfs/dbraw/zinc/54/81/91/952548191.db2.gz AXBFLPALWIGDGC-UHFFFAOYSA-N 0 1 377.452 1.686 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575214125 952562855 /nfs/dbraw/zinc/56/28/55/952562855.db2.gz IGOFUVYBOMPOAL-SNVBAGLBSA-N 0 1 380.403 1.163 20 0 GDADMN Cc1cccnc1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571128378 952566107 /nfs/dbraw/zinc/56/61/07/952566107.db2.gz RWMKHUWLTDBNSO-KRWDZBQOSA-N 0 1 377.452 1.965 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575215490 952567758 /nfs/dbraw/zinc/56/77/58/952567758.db2.gz URGYPKGDCHGVHN-AOOOYVTPSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CC1CC(F)(F)C1 ZINC001571129346 952573987 /nfs/dbraw/zinc/57/39/87/952573987.db2.gz CSQHMXNWXHEXOP-MWLCHTKSSA-N 0 1 378.387 1.033 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C)nc1C ZINC001571134328 952588640 /nfs/dbraw/zinc/58/86/40/952588640.db2.gz HNBDNMQDVVACED-UKRRQHHQSA-N 0 1 378.440 1.411 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cccnn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134340 952589952 /nfs/dbraw/zinc/58/99/52/952589952.db2.gz DLFZCUNCNBIXAK-BBRMVZONSA-N 0 1 378.440 1.440 20 0 GDADMN Cc1cc(N2C[C@@H](C)[C@H](NC(=O)c3cnccc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135302 952602675 /nfs/dbraw/zinc/60/26/75/952602675.db2.gz VMFAUVOMNVQSCU-MLGOLLRUSA-N 0 1 378.440 1.528 20 0 GDADMN Cc1cc(N2CCN(C(=O)Cc3cccnc3C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135592 952605527 /nfs/dbraw/zinc/60/55/27/952605527.db2.gz YCEGWDLZDYUQQQ-UHFFFAOYSA-N 0 1 378.440 1.165 20 0 GDADMN C[N@H+]1C[C@@H](CNC(=O)Nc2ccnc(-c3nn[nH]n3)c2)[C@H](c2ccccc2)C1 ZINC001571135629 952606464 /nfs/dbraw/zinc/60/64/64/952606464.db2.gz ZIQZXHNQBOQIOR-ZBFHGGJFSA-N 0 1 378.440 1.729 20 0 GDADMN C[N@@H+]1C[C@@H](CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@H](c2ccccc2)C1 ZINC001571135629 952606469 /nfs/dbraw/zinc/60/64/69/952606469.db2.gz ZIQZXHNQBOQIOR-ZBFHGGJFSA-N 0 1 378.440 1.729 20 0 GDADMN C[N@H+]1C[C@@H](CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@H](c2ccccc2)C1 ZINC001571135629 952606471 /nfs/dbraw/zinc/60/64/71/952606471.db2.gz ZIQZXHNQBOQIOR-ZBFHGGJFSA-N 0 1 378.440 1.729 20 0 GDADMN C[N@@H+]1C[C@@H](CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@H](c2ccccc2)C1 ZINC001571135629 952606476 /nfs/dbraw/zinc/60/64/76/952606476.db2.gz ZIQZXHNQBOQIOR-ZBFHGGJFSA-N 0 1 378.440 1.729 20 0 GDADMN C[N@H+]1C[C@@H](CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@H](c2ccccc2)C1 ZINC001571135629 952606482 /nfs/dbraw/zinc/60/64/82/952606482.db2.gz ZIQZXHNQBOQIOR-ZBFHGGJFSA-N 0 1 378.440 1.729 20 0 GDADMN O=C(N[C@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccc[nH]1 ZINC001571141039 952630919 /nfs/dbraw/zinc/63/09/19/952630919.db2.gz FXIOHGIMMRWPEG-QMMMGPOBSA-N 0 1 378.849 1.704 20 0 GDADMN Cc1nocc1C(=O)N1CC[C@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571142377 952641276 /nfs/dbraw/zinc/64/12/76/952641276.db2.gz SJKLPEJXDSXINY-DOTOQJQBSA-N 0 1 379.424 1.510 20 0 GDADMN COc1cc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)ccc1C ZINC001571142559 952643224 /nfs/dbraw/zinc/64/32/24/952643224.db2.gz XDDRVYWFKAIFPL-HDJSIYSDSA-N 0 1 379.424 1.374 20 0 GDADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571146029 952647406 /nfs/dbraw/zinc/64/74/06/952647406.db2.gz AIPHMSMAIAEHEC-MRVWCRGKSA-N 0 1 379.428 1.191 20 0 GDADMN O=C(c1ccco1)N1CCC2(CCN(c3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001571146769 952652459 /nfs/dbraw/zinc/65/24/59/952652459.db2.gz BOHWNEHBFLHCNE-UHFFFAOYSA-N 0 1 379.424 1.987 20 0 GDADMN Cc1nc(N2CC[C@@]3(CCN(C(=O)c4ccn[nH]4)C3)C2)ccc1-c1nn[nH]n1 ZINC001571147488 952661991 /nfs/dbraw/zinc/66/19/91/952661991.db2.gz ZUKZFHIYYOQCDC-GOSISDBHSA-N 0 1 379.428 1.036 20 0 GDADMN CCc1c(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)ccn1C ZINC001571151749 952677992 /nfs/dbraw/zinc/67/79/92/952677992.db2.gz WFJSYHARBMPSPD-UHFFFAOYSA-N 0 1 379.468 1.629 20 0 GDADMN COC(=O)c1ccc(CC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)cn1 ZINC001571152250 952682293 /nfs/dbraw/zinc/68/22/93/952682293.db2.gz GCTSVNOYJSIRIX-UHFFFAOYSA-N 0 1 379.789 1.339 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571156059 952701059 /nfs/dbraw/zinc/70/10/59/952701059.db2.gz BVWVJJBJJOOMNZ-LBPRGKRZSA-N 0 1 379.428 1.082 20 0 GDADMN Cc1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)n1 ZINC001571156771 952704926 /nfs/dbraw/zinc/70/49/26/952704926.db2.gz JIWWGSHMIWVSOY-OLZOCXBDSA-N 0 1 379.428 1.147 20 0 GDADMN Cc1cnc(C(=O)NC[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571157108 952706794 /nfs/dbraw/zinc/70/67/94/952706794.db2.gz MLMSZPGRQXVZPE-CYBMUJFWSA-N 0 1 379.428 1.007 20 0 GDADMN O=C(N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@]1(F)CCOC1 ZINC001571165443 952750453 /nfs/dbraw/zinc/75/04/53/952750453.db2.gz DGFBYHJCVNEXHB-BZNIZROVSA-N 0 1 380.449 1.137 20 0 GDADMN O=C(N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@]1(F)CCOC1 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Cc1nc(NC[C@H]2CCCN2C(=O)CCc2cnc[nH]2)ccc1-c1nn[nH]n1 ZINC001571188474 952916178 /nfs/dbraw/zinc/91/61/78/952916178.db2.gz BLEDGYWKZWLLTB-CQSZACIVSA-N 0 1 381.444 1.329 20 0 GDADMN CC(C)[C@@H](O)CCNS(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001571190123 952939433 /nfs/dbraw/zinc/93/94/33/952939433.db2.gz FQAPGKHKVNACKZ-NSHDSACASA-N 0 1 381.483 1.767 20 0 GDADMN CC(C)[C@H](O)CCNS(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001571190122 952939613 /nfs/dbraw/zinc/93/96/13/952939613.db2.gz FQAPGKHKVNACKZ-LLVKDONJSA-N 0 1 381.483 1.767 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2[C@H]3CN(Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)co1 ZINC001571193749 952951886 /nfs/dbraw/zinc/95/18/86/952951886.db2.gz AWMOROFSMRVYRY-FVQHAEBGSA-N 0 1 382.399 1.767 20 0 GDADMN Cc1cccc(F)c1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571195508 952976375 /nfs/dbraw/zinc/97/63/75/952976375.db2.gz AROPAIJVJMHFLV-GFCCVEGCSA-N 0 1 382.403 1.243 20 0 GDADMN Cc1cnoc1C(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001571200525 953009309 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Cc1cc(N2CCC[C@@H](NC(=O)C3=COCCC3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233390 953192185 /nfs/dbraw/zinc/19/21/85/953192185.db2.gz UCEIPXVZHAQFJH-OAHLLOKOSA-N 0 1 383.456 1.740 20 0 GDADMN O=C(C1=CCCCCC1)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571233490 953193201 /nfs/dbraw/zinc/19/32/01/953193201.db2.gz WKYVOXLIHYDYGN-HNNXBMFYSA-N 0 1 383.456 1.213 20 0 GDADMN COCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571235270 953210974 /nfs/dbraw/zinc/21/09/74/953210974.db2.gz YQEQOCCTDNMCOX-BDAKNGLRSA-N 0 1 383.865 1.193 20 0 GDADMN Cc1ncsc1C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571244537 953264327 /nfs/dbraw/zinc/26/43/27/953264327.db2.gz AKIPHOCAXBDGTA-KRWDZBQOSA-N 0 1 384.469 1.734 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3ccsn3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245099 953269859 /nfs/dbraw/zinc/26/98/59/953269859.db2.gz NRVLXFGQEZTSAY-NEPJUHHUSA-N 0 1 384.469 1.554 20 0 GDADMN Cc1ncc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)s1 ZINC001571245669 953276241 /nfs/dbraw/zinc/27/62/41/953276241.db2.gz YFFLPLBUHVFALB-GWCFXTLKSA-N 0 1 384.469 1.472 20 0 GDADMN Cc1ncc(C(=O)N2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)s1 ZINC001571247803 953286486 /nfs/dbraw/zinc/28/64/86/953286486.db2.gz FKSCSDVGXDIFHN-LBPRGKRZSA-N 0 1 384.469 1.555 20 0 GDADMN O=C(N[C@H]1CC12CCN(Cc1ccns1)CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247867 953287322 /nfs/dbraw/zinc/28/73/22/953287322.db2.gz GTZYMNFTRCLSKO-AWEZNQCLSA-N 0 1 384.469 1.436 20 0 GDADMN O=C(c1cnc2n1CCC2)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571248000 953288806 /nfs/dbraw/zinc/28/88/06/953288806.db2.gz KTPHTXNJYUCQKA-NSHDSACASA-N 0 1 384.469 1.075 20 0 GDADMN O=C(c1cnc2n1CCC2)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571248000 953288811 /nfs/dbraw/zinc/28/88/11/953288811.db2.gz KTPHTXNJYUCQKA-NSHDSACASA-N 0 1 384.469 1.075 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001571249711 953306552 /nfs/dbraw/zinc/30/65/52/953306552.db2.gz KQOKWEYMFCLCMZ-CYBMUJFWSA-N 0 1 384.488 1.555 20 0 GDADMN Cc1cnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251321 953316292 /nfs/dbraw/zinc/31/62/92/953316292.db2.gz UDPJOOCAXAZHRH-JHJVBQTASA-N 0 1 384.444 1.883 20 0 GDADMN CC1(C)CCC(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571251506 953317430 /nfs/dbraw/zinc/31/74/30/953317430.db2.gz YXBSHMXXAOOXDB-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1c(F)cncc1F ZINC001571255053 953345184 /nfs/dbraw/zinc/34/51/84/953345184.db2.gz GYGXQGMMRBSYQG-ZDUSSCGKSA-N 0 1 385.378 1.544 20 0 GDADMN Cc1cc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571256344 953370850 /nfs/dbraw/zinc/37/08/50/953370850.db2.gz VKTSCNWWLBXIEG-UHFFFAOYSA-N 0 1 385.378 1.811 20 0 GDADMN CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424405868 953470031 /nfs/dbraw/zinc/47/00/31/953470031.db2.gz PRRWXVMYQABSTK-HXUWFJFHSA-N 0 1 377.485 1.766 20 0 GDADMN O=C([O-])c1cc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC001594757128 953471250 /nfs/dbraw/zinc/47/12/50/953471250.db2.gz GFUABNADLBDJMK-UHFFFAOYSA-N 0 1 385.468 1.436 20 0 GDADMN COc1ccc(CN2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000572482342 953669665 /nfs/dbraw/zinc/66/96/65/953669665.db2.gz NTLAVOFLGGDLFT-VQIMIIECSA-N 0 1 389.496 1.382 20 0 GDADMN CC[C@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000578190483 953699362 /nfs/dbraw/zinc/69/93/62/953699362.db2.gz MXHYWYHDESZYLG-SJORKVTESA-N 0 1 381.498 1.207 20 0 GDADMN COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[C@@H](C)C1 ZINC000594537908 953766462 /nfs/dbraw/zinc/76/64/62/953766462.db2.gz NLSIBWIDJLGHFG-ZQDZILKHSA-N 0 1 383.489 1.401 20 0 GDADMN COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[C@@H](C)C1 ZINC000594537908 953766474 /nfs/dbraw/zinc/76/64/74/953766474.db2.gz NLSIBWIDJLGHFG-ZQDZILKHSA-N 0 1 383.489 1.401 20 0 GDADMN 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/nfs/dbraw/zinc/55/26/96/963552696.db2.gz FPHYAIMLTRWBOA-OAHLLOKOSA-N 0 1 392.481 1.689 20 0 GDADMN C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000315381267 963893098 /nfs/dbraw/zinc/89/30/98/963893098.db2.gz RGDCGWCFNCTERD-NSHDSACASA-N 0 1 391.287 1.910 20 0 GDADMN C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000315381267 963893104 /nfs/dbraw/zinc/89/31/04/963893104.db2.gz RGDCGWCFNCTERD-NSHDSACASA-N 0 1 391.287 1.910 20 0 GDADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000262517304 967823810 /nfs/dbraw/zinc/82/38/10/967823810.db2.gz NECBABMXIRLJQA-KSZLIROESA-N 0 1 391.512 1.565 20 0 GDADMN O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000379631823 968072620 /nfs/dbraw/zinc/07/26/20/968072620.db2.gz MDMHYDKGCSQFHT-GOSISDBHSA-N 0 1 395.525 1.672 20 0 GDADMN O=C([O-])CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000424258399 968352525 /nfs/dbraw/zinc/35/25/25/968352525.db2.gz LWYMXIODIKMRBL-GFCCVEGCSA-N 0 1 392.847 1.974 20 0 GDADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000424258399 968352533 /nfs/dbraw/zinc/35/25/33/968352533.db2.gz LWYMXIODIKMRBL-GFCCVEGCSA-N 0 1 392.847 1.974 20 0 GDADMN C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)[C@H]1C(=O)[O-] ZINC000424273772 968356838 /nfs/dbraw/zinc/35/68/38/968356838.db2.gz XMYHSPNRVONNAD-DNVCBOLYSA-N 0 1 387.480 1.724 20 0 GDADMN C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)[C@H]1C(=O)[O-] ZINC000424273772 968356847 /nfs/dbraw/zinc/35/68/47/968356847.db2.gz XMYHSPNRVONNAD-DNVCBOLYSA-N 0 1 387.480 1.724 20 0 GDADMN C[N@@H+](CCCC(=O)[O-])CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000430672539 968371799 /nfs/dbraw/zinc/37/17/99/968371799.db2.gz UXYUSIGGTXGNCG-UHFFFAOYSA-N 0 1 397.497 1.596 20 0 GDADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000477830666 968384178 /nfs/dbraw/zinc/38/41/78/968384178.db2.gz OIMOFALCUBYNNH-JYJNAYRXSA-N 0 1 389.452 1.282 20 0 GDADMN C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566220702 968427605 /nfs/dbraw/zinc/42/76/05/968427605.db2.gz LGXYVFXOEDVONV-MBNYWOFBSA-N 0 1 391.424 1.537 20 0 GDADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C1 ZINC000635020951 968540785 /nfs/dbraw/zinc/54/07/85/968540785.db2.gz UIQLMBVCMGHVAN-YJYMSZOUSA-N 0 1 382.432 1.604 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000635020738 968540925 /nfs/dbraw/zinc/54/09/25/968540925.db2.gz QXPMKZADTNAODA-VBKZILBWSA-N 0 1 394.468 1.613 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C1 ZINC000635020950 968541134 /nfs/dbraw/zinc/54/11/34/968541134.db2.gz UIQLMBVCMGHVAN-ORAYPTAESA-N 0 1 382.432 1.604 20 0 GDADMN CN(CCCC(=O)[O-])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001339708369 969735945 /nfs/dbraw/zinc/73/59/45/969735945.db2.gz FDGLMNUXBMCWGV-SFHVURJKSA-N 0 1 376.501 1.871 20 0 GDADMN CN(CCCC(=O)[O-])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001339708369 969735949 /nfs/dbraw/zinc/73/59/49/969735949.db2.gz FDGLMNUXBMCWGV-SFHVURJKSA-N 0 1 376.501 1.871 20 0 GDADMN CN(CCCC(=O)[O-])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001339708369 969735953 /nfs/dbraw/zinc/73/59/53/969735953.db2.gz FDGLMNUXBMCWGV-SFHVURJKSA-N 0 1 376.501 1.871 20 0 GDADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001343036059 969756405 /nfs/dbraw/zinc/75/64/05/969756405.db2.gz BLSSNVUTVLPARG-HOTGVXAUSA-N 0 1 382.505 1.216 20 0 GDADMN CC[C@H](CNC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C(=O)[O-] ZINC001343134057 969758800 /nfs/dbraw/zinc/75/88/00/969758800.db2.gz NJVDWJIFSIKZPE-MOPGFXCFSA-N 0 1 388.512 1.699 20 0 GDADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1 ZINC001604190279 972625428 /nfs/dbraw/zinc/62/54/28/972625428.db2.gz TVEWSORORWTVOU-GOSISDBHSA-N 0 1 383.448 1.573 20 0 GDADMN Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001605082133 972722028 /nfs/dbraw/zinc/72/20/28/972722028.db2.gz SVAMOAMCEHWTLD-YPMHNXCESA-N 0 1 381.860 1.746 20 0 GDADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC001603368608 972883469 /nfs/dbraw/zinc/88/34/69/972883469.db2.gz SFAOANHDWCUWNG-JKSUJKDBSA-N 0 1 375.469 1.894 20 0 GDADMN COC(=O)CC[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)CC(=O)[O-] ZINC001604317508 972980792 /nfs/dbraw/zinc/98/07/92/972980792.db2.gz YGZZCPKHCDVPEB-UHFFFAOYSA-N 0 1 392.433 1.298 20 0 GDADMN O=C([O-])CN1CCC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC001606249660 973548315 /nfs/dbraw/zinc/54/83/15/973548315.db2.gz HOVQWFVLGBPQDR-QYZOEREBSA-N 0 1 399.491 1.290 20 0 GDADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+]([C@H]3CCN(c4ccc(F)cc4)C3=O)C2)cn1 ZINC001605490457 973642741 /nfs/dbraw/zinc/64/27/41/973642741.db2.gz ZOMVERFWGCNSPE-GLJUWKHASA-N 0 1 386.427 1.855 20 0 GDADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc2)CC1 ZINC001603764154 974213180 /nfs/dbraw/zinc/21/31/80/974213180.db2.gz WUTUNHWSLJTLGX-KRWDZBQOSA-N 0 1 390.484 1.943 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c(C(=O)[O-])c1C ZINC001603823963 974309629 /nfs/dbraw/zinc/30/96/29/974309629.db2.gz QNOIRKJQPVGLIZ-ADLMAVQZSA-N 0 1 396.465 1.838 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c(C(=O)[O-])c1C ZINC001603823963 974309633 /nfs/dbraw/zinc/30/96/33/974309633.db2.gz QNOIRKJQPVGLIZ-ADLMAVQZSA-N 0 1 396.465 1.838 20 0 GDADMN C[NH+](C)[C@@]1(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)COc2ccccc2C1 ZINC001604053508 974583652 /nfs/dbraw/zinc/58/36/52/974583652.db2.gz NAJXDNMFOPZIIV-HESSTHLMSA-N 0 1 388.464 1.451 20 0 GDADMN COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000573097552 974760399 /nfs/dbraw/zinc/76/03/99/974760399.db2.gz LYJDTTSLOMIFTM-CZUORRHYSA-N 0 1 377.359 1.912 20 0 GDADMN CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc2)CC1 ZINC000634824269 975277748 /nfs/dbraw/zinc/27/77/48/975277748.db2.gz PAHDPQITJFZGKP-HNNXBMFYSA-N 0 1 375.469 1.833 20 0 GDADMN COc1cc(CNC(=O)C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc(OC)c1OC ZINC000650504701 975444149 /nfs/dbraw/zinc/44/41/49/975444149.db2.gz YUPLKIDNVISCKY-CQSZACIVSA-N 0 1 380.441 1.658 20 0 GDADMN CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CC1 ZINC001591724987 975676825 /nfs/dbraw/zinc/67/68/25/975676825.db2.gz RNUZPTBEFKVMQK-UHFFFAOYSA-N 0 1 384.864 1.685 20 0 GDADMN CC(C)Oc1c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1C(=O)[O-] ZINC001591740786 975741874 /nfs/dbraw/zinc/74/18/74/975741874.db2.gz IRRRNVXGPYFZJR-STQMWFEESA-N 0 1 377.441 1.709 20 0 GDADMN CC(C)Oc1c(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cccc1C(=O)[O-] ZINC001591741180 975749304 /nfs/dbraw/zinc/74/93/04/975749304.db2.gz UFLFXIKPGBSYPU-CYBMUJFWSA-N 0 1 379.457 1.955 20 0 GDADMN CC(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001591866325 976169216 /nfs/dbraw/zinc/16/92/16/976169216.db2.gz HEBWHJQWCNKLBD-HOCLYGCPSA-N 0 1 385.505 1.981 20 0 GDADMN CC(C)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001591866325 976169223 /nfs/dbraw/zinc/16/92/23/976169223.db2.gz HEBWHJQWCNKLBD-HOCLYGCPSA-N 0 1 385.505 1.981 20 0 GDADMN CC(C)[C@H](NC(=O)C[NH+]1CCC(n2cc(Br)cn2)CC1)C(=O)[O-] ZINC001591866354 976170689 /nfs/dbraw/zinc/17/06/89/976170689.db2.gz HMMKEJAGDFOULG-AWEZNQCLSA-N 0 1 387.278 1.508 20 0 GDADMN CC(C)c1[nH]c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1C(=O)[O-] ZINC001591912922 976352557 /nfs/dbraw/zinc/35/25/57/976352557.db2.gz VGKNCBXRXRRLRV-ZDUSSCGKSA-N 0 1 383.456 1.985 20 0 GDADMN CC(C)c1[nH]c(C[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1C(=O)[O-] ZINC001591912922 976352566 /nfs/dbraw/zinc/35/25/66/976352566.db2.gz VGKNCBXRXRRLRV-ZDUSSCGKSA-N 0 1 383.456 1.985 20 0 GDADMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CC2)c1 ZINC001592040025 976765983 /nfs/dbraw/zinc/76/59/83/976765983.db2.gz VISAHUDFBJUKRP-UHFFFAOYSA-N 0 1 384.436 1.974 20 0 GDADMN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]Cc1nnnn1-c1ccccc1 ZINC001592274690 977550840 /nfs/dbraw/zinc/55/08/40/977550840.db2.gz TVCUHXLKSGMGRP-ZDUSSCGKSA-N 0 1 380.408 1.867 20 0 GDADMN C[C@@](CC(=O)[O-])([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccn1 ZINC001592323465 977735745 /nfs/dbraw/zinc/73/57/45/977735745.db2.gz UNKBLPVCPZTYPF-VLIAUNLRSA-N 0 1 385.420 1.317 20 0 GDADMN C[C@@](CC(=O)[O-])([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ccccn1 ZINC001592323520 977735842 /nfs/dbraw/zinc/73/58/42/977735842.db2.gz VGMQJLNQSINGTQ-IBGZPJMESA-N 0 1 375.400 1.695 20 0 GDADMN CN(C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)c1nc(CC(=O)[O-])cs1 ZINC000737515113 978412702 /nfs/dbraw/zinc/41/27/02/978412702.db2.gz HCBXSBAXKFFCQK-KRWDZBQOSA-N 0 1 388.493 1.722 20 0 GDADMN COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3(C(=O)[O-])CC3)CC2)c1C ZINC000738070896 978472632 /nfs/dbraw/zinc/47/26/32/978472632.db2.gz BHMXBAXYAYNPJW-UHFFFAOYSA-N 0 1 375.469 1.995 20 0 GDADMN C[C@@H](C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1)C(=O)[O-] ZINC001592599046 978533695 /nfs/dbraw/zinc/53/36/95/978533695.db2.gz 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O=C([O-])N1CCC[C@@H](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000740507464 603098230 /nfs/dbraw/zinc/09/82/30/603098230.db2.gz PVJCZRYJMPRLLF-FXAWDEMLSA-N 0 1 375.469 1.520 20 0 GDADMN O=C([O-])N(CCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000740436478 603124699 /nfs/dbraw/zinc/12/46/99/603124699.db2.gz GOQAUKAJBUHDRM-LJQANCHMSA-N 0 1 376.457 1.065 20 0 GDADMN C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000739198740 603126911 /nfs/dbraw/zinc/12/69/11/603126911.db2.gz DGWPITQJZRHRRD-XHSDSOJGSA-N 0 1 382.505 1.118 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[O-])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000823667911 603131476 /nfs/dbraw/zinc/13/14/76/603131476.db2.gz AMUCEYXMTBENDL-WMLDXEAASA-N 0 1 378.448 1.595 20 0 GDADMN C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)cc2)CC1 ZINC000739734255 603179801 /nfs/dbraw/zinc/17/98/01/603179801.db2.gz JCCXYDSQZVJUDE-NVXWUHKLSA-N 0 1 388.468 1.839 20 0 GDADMN 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1 376.457 1.978 20 0 GDADMN C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)CC(C)(C)CNC(=O)[O-] ZINC000828120467 603544251 /nfs/dbraw/zinc/54/42/51/603544251.db2.gz ONXYOFFIRWRTGJ-UHFFFAOYSA-N 0 1 376.457 1.978 20 0 GDADMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000826057377 603566452 /nfs/dbraw/zinc/56/64/52/603566452.db2.gz IEZSLVTVJACUQZ-IINYFYTJSA-N 0 1 382.848 1.746 20 0 GDADMN CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)NC(=O)[O-] ZINC000824118883 603571251 /nfs/dbraw/zinc/57/12/51/603571251.db2.gz YQFZUZWYYAGTJI-KSZLIROESA-N 0 1 392.500 1.461 20 0 GDADMN O=C([O-])NC[C@@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000832572543 603579384 /nfs/dbraw/zinc/57/93/84/603579384.db2.gz DAXDDLHFKWXVAF-LBPRGKRZSA-N 0 1 381.230 1.689 20 0 GDADMN Cc1cc(N2CCC(NC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])CC2)nc(C)[nH+]1 ZINC000830072813 603586013 /nfs/dbraw/zinc/58/60/13/603586013.db2.gz JVTLDMOMXJGNRY-INIZCTEOSA-N 0 1 391.472 1.337 20 0 GDADMN 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GDADMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000834094169 605966023 /nfs/dbraw/zinc/96/60/23/605966023.db2.gz FGYLZSXINLGFSQ-SJORKVTESA-N 0 1 392.500 1.064 20 0 GDADMN COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)[C@H](C)C1 ZINC000833878937 605972915 /nfs/dbraw/zinc/97/29/15/605972915.db2.gz JWNWCYRJKVKKTN-GDBMZVCRSA-N 0 1 377.441 1.134 20 0 GDADMN COC(=O)CC[N@H+]1CCN(C(=O)[C@H](CNC(=O)[O-])c2ccccc2)[C@H](C)C1 ZINC000833878937 605972916 /nfs/dbraw/zinc/97/29/16/605972916.db2.gz JWNWCYRJKVKKTN-GDBMZVCRSA-N 0 1 377.441 1.134 20 0 GDADMN C[C@@H]1[C@H](C)[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CCN1C(=O)[O-] ZINC000833825880 606040873 /nfs/dbraw/zinc/04/08/73/606040873.db2.gz DHXXUMUHGZCWDX-JKSUJKDBSA-N 0 1 375.473 1.193 20 0 GDADMN O=C([O-])N1CC2(C1)CC(=O)N(C[N@H+]1CCC[C@@H]1Cn1cnc3ccccc31)C2 ZINC000834072167 606055243 /nfs/dbraw/zinc/05/52/43/606055243.db2.gz WDJLVXICEQWLEQ-OAHLLOKOSA-N 0 1 383.452 1.671 20 0 GDADMN CN(Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821615872 606086286 /nfs/dbraw/zinc/08/62/86/606086286.db2.gz SFELKDCGZCMFJS-GDBMZVCRSA-N 0 1 388.497 1.907 20 0 GDADMN CO[C@@H](C)c1noc(CN2CCCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000821675969 606115896 /nfs/dbraw/zinc/11/58/96/606115896.db2.gz XXUSSWSHNLDCPY-AWEZNQCLSA-N 0 1 398.471 1.665 20 0 GDADMN CCCN(CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000821094010 606124877 /nfs/dbraw/zinc/12/48/77/606124877.db2.gz AKVBTCSXIOAGMM-NSHDSACASA-N 0 1 398.514 1.156 20 0 GDADMN Cn1cc(-c2nn[nH]n2)c(NC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC000822609594 606161613 /nfs/dbraw/zinc/16/16/13/606161613.db2.gz RKCYKBDZWMOALX-UHFFFAOYSA-N 0 1 395.471 1.729 20 0 GDADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCN(C2CCOCC2)CC1 ZINC000823249835 606163834 /nfs/dbraw/zinc/16/38/34/606163834.db2.gz LRLMFOXGWCAQEE-UHFFFAOYSA-N 0 1 389.435 1.012 20 0 GDADMN O=C(OCCc1c[nH]nn1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000823410494 606180983 /nfs/dbraw/zinc/18/09/83/606180983.db2.gz XRJQZQSLOHCCAN-UHFFFAOYSA-N 0 1 391.391 1.963 20 0 GDADMN CN1CCC[C@H]1[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821625307 606188078 /nfs/dbraw/zinc/18/80/78/606188078.db2.gz KSEKWTBAIJGWCK-IRXDYDNUSA-N 0 1 390.513 1.199 20 0 GDADMN COc1ccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)cn2C)N2CCCC2)cc1 ZINC000821777101 606210870 /nfs/dbraw/zinc/21/08/70/606210870.db2.gz AJOSESJYTDEGNU-SFHVURJKSA-N 0 1 395.467 1.781 20 0 GDADMN Cc1nnc(NCC2(CN3CCOCC3)CCCCC2)c(-c2nn[nH]n2)c1C ZINC000822514233 606232448 /nfs/dbraw/zinc/23/24/48/606232448.db2.gz CWOPRKHHOCGNKB-UHFFFAOYSA-N 0 1 386.504 1.968 20 0 GDADMN CC[C@H](C)CN(CC)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000820870591 606239611 /nfs/dbraw/zinc/23/96/11/606239611.db2.gz VPKKFMQDEVZLDL-ORAYPTAESA-N 0 1 385.472 1.959 20 0 GDADMN CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000820032038 606295024 /nfs/dbraw/zinc/29/50/24/606295024.db2.gz KEKRYMLGPAKVSO-MRXNPFEDSA-N 0 1 396.455 1.794 20 0 GDADMN CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820044542 606309309 /nfs/dbraw/zinc/30/93/09/606309309.db2.gz HBEBQPQFLORDPD-YUTCNCBUSA-N 0 1 376.486 1.684 20 0 GDADMN CCN(CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN1CC ZINC000821213516 606309416 /nfs/dbraw/zinc/30/94/16/606309416.db2.gz DOADYKJRKLRGKQ-INIZCTEOSA-N 0 1 392.529 1.447 20 0 GDADMN O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000823542922 606406586 /nfs/dbraw/zinc/40/65/86/606406586.db2.gz ZAVJAIGHOXBKKG-UHFFFAOYSA-N 0 1 375.458 1.273 20 0 GDADMN O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000823542922 606406588 /nfs/dbraw/zinc/40/65/88/606406588.db2.gz ZAVJAIGHOXBKKG-UHFFFAOYSA-N 0 1 375.458 1.273 20 0 GDADMN OCCCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000823717453 606503180 /nfs/dbraw/zinc/50/31/80/606503180.db2.gz HADZPHIUTFCFGN-UHFFFAOYSA-N 0 1 382.415 1.358 20 0 GDADMN C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821587158 606547258 /nfs/dbraw/zinc/54/72/58/606547258.db2.gz JMMWVUVTJFPQNQ-UHFFFAOYSA-N 0 1 399.480 1.150 20 0 GDADMN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821625786 606554889 /nfs/dbraw/zinc/55/48/89/606554889.db2.gz VSWUYBJLCCOWDZ-CYBMUJFWSA-N 0 1 375.502 1.170 20 0 GDADMN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821625786 606554897 /nfs/dbraw/zinc/55/48/97/606554897.db2.gz VSWUYBJLCCOWDZ-CYBMUJFWSA-N 0 1 375.502 1.170 20 0 GDADMN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821625786 606554899 /nfs/dbraw/zinc/55/48/99/606554899.db2.gz VSWUYBJLCCOWDZ-CYBMUJFWSA-N 0 1 375.502 1.170 20 0 GDADMN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821625786 606554902 /nfs/dbraw/zinc/55/49/02/606554902.db2.gz VSWUYBJLCCOWDZ-CYBMUJFWSA-N 0 1 375.502 1.170 20 0 GDADMN CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CCN1C[C@H](C)O ZINC000820989136 606596556 /nfs/dbraw/zinc/59/65/56/606596556.db2.gz MMDWLPLNMXYRFY-WCQYABFASA-N 0 1 393.879 1.829 20 0 GDADMN COC(=O)CCC1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821660151 606612504 /nfs/dbraw/zinc/61/25/04/606612504.db2.gz HQUYTHWTGPXIIR-UHFFFAOYSA-N 0 1 386.456 1.148 20 0 GDADMN O=S(=O)(Nc1cccnc1)c1cc(Br)cc(-c2nn[nH]n2)c1 ZINC000823588853 606637469 /nfs/dbraw/zinc/63/74/69/606637469.db2.gz CLNKLSFHFFMERI-UHFFFAOYSA-N 0 1 381.215 1.825 20 0 GDADMN O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C1(O)CCCCC1 ZINC000823140162 606660002 /nfs/dbraw/zinc/66/00/02/606660002.db2.gz PTTKNINMYLEQPG-UHFFFAOYSA-N 0 1 387.444 1.076 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1ccccc1Cl ZINC000821600170 606700019 /nfs/dbraw/zinc/70/00/19/606700019.db2.gz ANONEJUJHUZMJC-UHFFFAOYSA-N 0 1 376.852 1.769 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1ccccc1Cl ZINC000821600170 606700021 /nfs/dbraw/zinc/70/00/21/606700021.db2.gz ANONEJUJHUZMJC-UHFFFAOYSA-N 0 1 376.852 1.769 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1ccccc1Cl ZINC000821600170 606700023 /nfs/dbraw/zinc/70/00/23/606700023.db2.gz ANONEJUJHUZMJC-UHFFFAOYSA-N 0 1 376.852 1.769 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1ccccc1Cl ZINC000821600170 606700025 /nfs/dbraw/zinc/70/00/25/606700025.db2.gz ANONEJUJHUZMJC-UHFFFAOYSA-N 0 1 376.852 1.769 20 0 GDADMN Cc1ccccc1-c1noc(CN(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)n1 ZINC000822345845 606700688 /nfs/dbraw/zinc/70/06/88/606700688.db2.gz UIJQEUMVYWOLMT-UHFFFAOYSA-N 0 1 394.443 1.595 20 0 GDADMN COC[C@](C)(CC(=O)OC)NCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821680193 606710669 /nfs/dbraw/zinc/71/06/69/606710669.db2.gz BOJWFJVIMXOJMU-INIZCTEOSA-N 0 1 385.371 1.526 20 0 GDADMN O=S(=O)(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573575 606739954 /nfs/dbraw/zinc/73/99/54/606739954.db2.gz XCXIAFSWVWDGEG-WQAKAFBOSA-N 0 1 385.396 1.381 20 0 GDADMN Cc1n[nH]c([C@H]2CCCN([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)n1 ZINC000822436962 606755377 /nfs/dbraw/zinc/75/53/77/606755377.db2.gz URPAALCZNGSRHH-WCQYABFASA-N 0 1 399.484 1.340 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000822006005 606816374 /nfs/dbraw/zinc/81/63/74/606816374.db2.gz WWOXVQMMGAUYMC-NHYWBVRUSA-N 0 1 387.488 1.362 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000822006005 606816376 /nfs/dbraw/zinc/81/63/76/606816376.db2.gz WWOXVQMMGAUYMC-NHYWBVRUSA-N 0 1 387.488 1.362 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000822006005 606816378 /nfs/dbraw/zinc/81/63/78/606816378.db2.gz WWOXVQMMGAUYMC-NHYWBVRUSA-N 0 1 387.488 1.362 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1-c1nn[nH]n1 ZINC000821970216 606818802 /nfs/dbraw/zinc/81/88/02/606818802.db2.gz LMYPYQURFSSHNL-NSHDSACASA-N 0 1 399.436 1.378 20 0 GDADMN c1nc2c(c(N3CCN(c4oc(C5CC5)nc4-c4nn[nH]n4)CC3)n1)CCCC2 ZINC000823820163 606874697 /nfs/dbraw/zinc/87/46/97/606874697.db2.gz BGDCRABKFWZQQV-UHFFFAOYSA-N 0 1 393.455 1.728 20 0 GDADMN c1ccc(CN2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)nc1 ZINC000823779677 606884545 /nfs/dbraw/zinc/88/45/45/606884545.db2.gz GQEHUSFVPOLJHW-UHFFFAOYSA-N 0 1 379.468 1.848 20 0 GDADMN O=S(=O)(NCc1cc(F)ccc1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578365 606890852 /nfs/dbraw/zinc/89/08/52/606890852.db2.gz MURMYHZNQLNXRQ-UHFFFAOYSA-N 0 1 387.318 1.902 20 0 GDADMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCN1C ZINC000820656465 606891848 /nfs/dbraw/zinc/89/18/48/606891848.db2.gz FKOSYSNTIJGTET-MWLCHTKSSA-N 0 1 386.428 1.248 20 0 GDADMN CS[C@H]1CC[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821948189 606894509 /nfs/dbraw/zinc/89/45/09/606894509.db2.gz ATILCZUIUNRZTE-BDAKNGLRSA-N 0 1 375.426 1.707 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1-c1nn[n-]n1 ZINC000821970690 606912930 /nfs/dbraw/zinc/91/29/30/606912930.db2.gz QXZAXWNPQXTZFV-JTQLQIEISA-N 0 1 379.490 1.395 20 0 GDADMN NC(=O)[C@H](NCC[C@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850848 606988369 /nfs/dbraw/zinc/98/83/69/606988369.db2.gz RVTLXUZQXAPQLG-WMLDXEAASA-N 0 1 380.408 1.213 20 0 GDADMN CC(C)CN1CCO[C@@H](CNC(=O)CSc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820092481 607009674 /nfs/dbraw/zinc/00/96/74/607009674.db2.gz MQCLCMPMBJQSHF-HNNXBMFYSA-N 0 1 390.513 1.432 20 0 GDADMN Cc1ccc(-c2n[nH]c(SCC(=O)n3ncc(-c4nn[nH]n4)c3N)n2)cc1 ZINC000822214969 607147089 /nfs/dbraw/zinc/14/70/89/607147089.db2.gz GRYJPZICBDJZKB-UHFFFAOYSA-N 0 1 382.413 1.171 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000822006112 607193370 /nfs/dbraw/zinc/19/33/70/607193370.db2.gz XZYOUBSYUFHAQC-GDBMZVCRSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000822006112 607193371 /nfs/dbraw/zinc/19/33/71/607193371.db2.gz XZYOUBSYUFHAQC-GDBMZVCRSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000822006112 607193372 /nfs/dbraw/zinc/19/33/72/607193372.db2.gz XZYOUBSYUFHAQC-GDBMZVCRSA-N 0 1 399.499 1.459 20 0 GDADMN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821589302 607206307 /nfs/dbraw/zinc/20/63/07/607206307.db2.gz HOSRZOKGSBPAMP-UHFFFAOYSA-N 0 1 381.322 1.182 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000823131892 607206694 /nfs/dbraw/zinc/20/66/94/607206694.db2.gz PINXIUUBIPKZCS-UHFFFAOYSA-N 0 1 386.379 1.640 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccccc1Oc1ccccc1 ZINC000823131921 607211714 /nfs/dbraw/zinc/21/17/14/607211714.db2.gz QVIXBAFJWMILOX-UHFFFAOYSA-N 0 1 376.380 1.567 20 0 GDADMN CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000819945959 607213699 /nfs/dbraw/zinc/21/36/99/607213699.db2.gz IMJRFSMBLRTSCU-UHFFFAOYSA-N 0 1 385.388 1.444 20 0 GDADMN C[C@H]([NH2+]C1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCC1)c1ccccc1 ZINC000820409752 607216619 /nfs/dbraw/zinc/21/66/19/607216619.db2.gz ADVFRHVYYBBJET-AWEZNQCLSA-N 0 1 395.471 1.238 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000823126020 607219183 /nfs/dbraw/zinc/21/91/83/607219183.db2.gz FMPNSSQAHZWQEL-MRXNPFEDSA-N 0 1 392.398 1.698 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000823127126 607222566 /nfs/dbraw/zinc/22/25/66/607222566.db2.gz UEZUUQBTQDBXKL-OFAQMXQXSA-N 0 1 378.440 1.943 20 0 GDADMN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822207438 607223105 /nfs/dbraw/zinc/22/31/05/607223105.db2.gz WGOWOBGHIZNSPX-ZDUSSCGKSA-N 0 1 381.444 1.784 20 0 GDADMN C[N@H+]1CCC[C@@H]1CCN1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000821625894 607236888 /nfs/dbraw/zinc/23/68/88/607236888.db2.gz XUTBUSVLTWFHPF-CQSZACIVSA-N 0 1 398.471 1.721 20 0 GDADMN C[N@@H+]1CCC[C@@H]1CCN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000821625894 607236891 /nfs/dbraw/zinc/23/68/91/607236891.db2.gz XUTBUSVLTWFHPF-CQSZACIVSA-N 0 1 398.471 1.721 20 0 GDADMN C[N@H+]1CCC[C@@H]1CCN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000821625894 607236892 /nfs/dbraw/zinc/23/68/92/607236892.db2.gz XUTBUSVLTWFHPF-CQSZACIVSA-N 0 1 398.471 1.721 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000826229851 607875609 /nfs/dbraw/zinc/87/56/09/607875609.db2.gz UGFUFMHKZHVEDS-NSHDSACASA-N 0 1 390.469 1.578 20 0 GDADMN COCC(C)(C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826147821 607882106 /nfs/dbraw/zinc/88/21/06/607882106.db2.gz MVFWBDKYVHVSAP-UHFFFAOYSA-N 0 1 375.433 1.053 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)nc2)c1-c1nnn[n-]1 ZINC000826083776 608019090 /nfs/dbraw/zinc/01/90/90/608019090.db2.gz QIYLUILHJHIMSY-UHFFFAOYSA-N 0 1 395.349 1.408 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)nc2)c1-c1nn[n-]n1 ZINC000826083776 608019091 /nfs/dbraw/zinc/01/90/91/608019091.db2.gz QIYLUILHJHIMSY-UHFFFAOYSA-N 0 1 395.349 1.408 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3ccc(C)nc32)c1-c1nnn[n-]1 ZINC000826083389 608019911 /nfs/dbraw/zinc/01/99/11/608019911.db2.gz KFCAJUMNARYMDW-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3ccc(C)nc32)c1-c1nn[n-]n1 ZINC000826083389 608019912 /nfs/dbraw/zinc/01/99/12/608019912.db2.gz KFCAJUMNARYMDW-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cccn3)c2)c1-c1nnn[n-]1 ZINC000826084324 608022488 /nfs/dbraw/zinc/02/24/88/608022488.db2.gz ZBRGEIGVJIGLCO-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000826084324 608022489 /nfs/dbraw/zinc/02/24/89/608022489.db2.gz ZBRGEIGVJIGLCO-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc3nccnc32)c1-c1nnn[n-]1 ZINC000826077838 608023034 /nfs/dbraw/zinc/02/30/34/608023034.db2.gz XILDBYWVHKEEOE-UHFFFAOYSA-N 0 1 396.390 1.076 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc3nccnc32)c1-c1nn[n-]n1 ZINC000826077838 608023035 /nfs/dbraw/zinc/02/30/35/608023035.db2.gz XILDBYWVHKEEOE-UHFFFAOYSA-N 0 1 396.390 1.076 20 0 GDADMN CCc1oc(C(=O)OC)cc1C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825777210 608035565 /nfs/dbraw/zinc/03/55/65/608035565.db2.gz QSKFKOPYYPODSR-UHFFFAOYSA-N 0 1 388.432 1.179 20 0 GDADMN CCc1oc(C(=O)OC)cc1C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825777210 608035566 /nfs/dbraw/zinc/03/55/66/608035566.db2.gz QSKFKOPYYPODSR-UHFFFAOYSA-N 0 1 388.432 1.179 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1csc(-c2cnn(C)c2)n1 ZINC000825935198 608035951 /nfs/dbraw/zinc/03/59/51/608035951.db2.gz WOAYOEDRZDZZAO-UHFFFAOYSA-N 0 1 399.488 1.094 20 0 GDADMN Cc1ccc(N2CC[C@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)C2=O)cc1 ZINC000826289626 608036393 /nfs/dbraw/zinc/03/63/93/608036393.db2.gz HHXXNKCMPOTTOA-HNNXBMFYSA-N 0 1 395.471 1.150 20 0 GDADMN Cc1ccc(N2CC[C@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)C2=O)cc1 ZINC000826289626 608036394 /nfs/dbraw/zinc/03/63/94/608036394.db2.gz HHXXNKCMPOTTOA-HNNXBMFYSA-N 0 1 395.471 1.150 20 0 GDADMN NC(=O)[C@H](NCC1(c2ccc(F)cc2F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389418 608047710 /nfs/dbraw/zinc/04/77/10/608047710.db2.gz XWVCDENVEHIOAX-MRXNPFEDSA-N 0 1 384.390 1.993 20 0 GDADMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000825745397 608097867 /nfs/dbraw/zinc/09/78/67/608097867.db2.gz LJGITQRNEMKUMG-SSDOTTSWSA-N 0 1 382.837 1.240 20 0 GDADMN O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826455567 608118601 /nfs/dbraw/zinc/11/86/01/608118601.db2.gz UTZNCHIWXKBGRV-UHFFFAOYSA-N 0 1 379.384 1.160 20 0 GDADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000824047130 608131225 /nfs/dbraw/zinc/13/12/25/608131225.db2.gz XWJLFJWITBIQRI-UKRRQHHQSA-N 0 1 386.456 1.669 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CONC(=N)[C@H]1COc2ccccc2O1 ZINC000826184730 608153262 /nfs/dbraw/zinc/15/32/62/608153262.db2.gz IRWSCJDLAAOXJZ-MRXNPFEDSA-N 0 1 382.380 1.714 20 0 GDADMN CN(CC(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1)[C@H]1CCSC1 ZINC000825892989 608191512 /nfs/dbraw/zinc/19/15/12/608191512.db2.gz YDHCCKDWAQJXKW-AWEZNQCLSA-N 0 1 398.496 1.310 20 0 GDADMN CN(CC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCSC1 ZINC000825892056 608209315 /nfs/dbraw/zinc/20/93/15/608209315.db2.gz DIPQVUYZCSSFMI-JKSUJKDBSA-N 0 1 388.497 1.204 20 0 GDADMN CCC1(CO)CCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CC1 ZINC000825170809 608209396 /nfs/dbraw/zinc/20/93/96/608209396.db2.gz HWHOWKBSSSUZKM-UHFFFAOYSA-N 0 1 378.458 1.314 20 0 GDADMN CCN1C[C@@H](C)N(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C[C@@H]1C ZINC000825445249 608247208 /nfs/dbraw/zinc/24/72/08/608247208.db2.gz YMAFKPMWDXBYRQ-QWHCGFSZSA-N 0 1 395.471 1.189 20 0 GDADMN CCN(CC(=O)N1CCOC[C@@H]1C1CC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395948 608254146 /nfs/dbraw/zinc/25/41/46/608254146.db2.gz YOBBPDCBLHRVQC-KBXCAEBGSA-N 0 1 384.484 1.887 20 0 GDADMN C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC[C@@H]1C ZINC000824956127 608268954 /nfs/dbraw/zinc/26/89/54/608268954.db2.gz QITGBWPROWBPOY-KBPBESRZSA-N 0 1 383.456 1.566 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826332097 608312797 /nfs/dbraw/zinc/31/27/97/608312797.db2.gz JRRJHFZHEMTPSU-OCCSQVGLSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1-c1nnn[n-]1 ZINC000826332097 608312798 /nfs/dbraw/zinc/31/27/98/608312798.db2.gz JRRJHFZHEMTPSU-OCCSQVGLSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826332097 608312799 /nfs/dbraw/zinc/31/27/99/608312799.db2.gz JRRJHFZHEMTPSU-OCCSQVGLSA-N 0 1 380.456 1.447 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826332097 608312800 /nfs/dbraw/zinc/31/28/00/608312800.db2.gz JRRJHFZHEMTPSU-OCCSQVGLSA-N 0 1 380.456 1.447 20 0 GDADMN COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826157692 608313999 /nfs/dbraw/zinc/31/39/99/608313999.db2.gz HMVPGJZKFWHGKM-UHFFFAOYSA-N 0 1 387.488 1.472 20 0 GDADMN COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000826157692 608314001 /nfs/dbraw/zinc/31/40/01/608314001.db2.gz HMVPGJZKFWHGKM-UHFFFAOYSA-N 0 1 387.488 1.472 20 0 GDADMN COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826157692 608314003 /nfs/dbraw/zinc/31/40/03/608314003.db2.gz HMVPGJZKFWHGKM-UHFFFAOYSA-N 0 1 387.488 1.472 20 0 GDADMN COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000826157692 608314004 /nfs/dbraw/zinc/31/40/04/608314004.db2.gz HMVPGJZKFWHGKM-UHFFFAOYSA-N 0 1 387.488 1.472 20 0 GDADMN C[C@H]1CCCCN1CCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824936116 608328391 /nfs/dbraw/zinc/32/83/91/608328391.db2.gz DVRCBDNNQWUEDI-LBPRGKRZSA-N 0 1 382.465 1.300 20 0 GDADMN CCC[C@@H]1CN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000825253538 608374905 /nfs/dbraw/zinc/37/49/05/608374905.db2.gz NTMZVBBJKCNJRI-QGZVFWFLSA-N 0 1 387.488 1.238 20 0 GDADMN C[C@@H]([NH2+]C1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1)c1ccccc1 ZINC000824536913 608417481 /nfs/dbraw/zinc/41/74/81/608417481.db2.gz ACKSUJSDAVJGLH-CQSZACIVSA-N 0 1 380.456 1.969 20 0 GDADMN C[C@@H]([NH2+]C1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1)c1ccccc1 ZINC000824536913 608417483 /nfs/dbraw/zinc/41/74/83/608417483.db2.gz ACKSUJSDAVJGLH-CQSZACIVSA-N 0 1 380.456 1.969 20 0 GDADMN O=S(=O)(NCc1cn2ccsc2n1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826491804 608445112 /nfs/dbraw/zinc/44/51/12/608445112.db2.gz CCBBPHZNGMJXAT-UHFFFAOYSA-N 0 1 397.392 1.333 20 0 GDADMN CCS(=O)(=O)NCCCN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825663426 608464177 /nfs/dbraw/zinc/46/41/77/608464177.db2.gz OJBJWICVRDFGFS-UHFFFAOYSA-N 0 1 376.486 1.285 20 0 GDADMN c1cnn(-c2cccc(CN3CCN(c4ncccc4-c4nn[nH]n4)CC3)c2)c1 ZINC000826516187 608509366 /nfs/dbraw/zinc/50/93/66/608509366.db2.gz ZTWFIKRXXZSOGC-UHFFFAOYSA-N 0 1 387.451 1.770 20 0 GDADMN COc1ccc(C2(NCCS(=O)(=O)c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826190017 608521411 /nfs/dbraw/zinc/52/14/11/608521411.db2.gz MUJJTYYQGZECOE-UHFFFAOYSA-N 0 1 399.476 1.928 20 0 GDADMN COCc1ccccc1CNC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826164482 608532190 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1 385.881 1.806 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cccc(F)c1F ZINC001571266870 945553910 /nfs/dbraw/zinc/55/39/10/945553910.db2.gz ATKBTKJTCIMPOO-NXEZZACHSA-N 0 1 386.366 1.072 20 0 GDADMN O=C(c1cc(F)ccc1F)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571267105 945560948 /nfs/dbraw/zinc/56/09/48/945560948.db2.gz JGVLNGUKTOWUGI-LLVKDONJSA-N 0 1 386.366 1.074 20 0 GDADMN CC[C@H]1CN(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000820989532 945605912 /nfs/dbraw/zinc/60/59/12/945605912.db2.gz VREBIAGMLREPTL-PBHICJAKSA-N 0 1 387.488 1.680 20 0 GDADMN O=C([C@H]1CCOC1)N1CC[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571269198 945613947 /nfs/dbraw/zinc/61/39/47/945613947.db2.gz RZUAURIUMQVPJJ-GRDNDAEWSA-N 0 1 386.431 1.075 20 0 GDADMN Cc1ccnn1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571271664 945648367 /nfs/dbraw/zinc/64/83/67/945648367.db2.gz GVIJHWXMRFOEHO-ZDUSSCGKSA-N 0 1 386.485 1.214 20 0 GDADMN Cc1ccnn1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571271664 945648376 /nfs/dbraw/zinc/64/83/76/945648376.db2.gz GVIJHWXMRFOEHO-ZDUSSCGKSA-N 0 1 386.485 1.214 20 0 GDADMN Cc1nc(CN2CC[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)sc1C ZINC001571271822 945652934 /nfs/dbraw/zinc/65/29/34/945652934.db2.gz KLWYZBHTORXRHW-LBPRGKRZSA-N 0 1 386.485 1.520 20 0 GDADMN CCn1cnc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571272111 945656096 /nfs/dbraw/zinc/65/60/96/945656096.db2.gz PPUNHLPONHDTCY-HAQNSBGRSA-N 0 1 386.485 1.443 20 0 GDADMN CCn1cnc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571272111 945656105 /nfs/dbraw/zinc/65/61/05/945656105.db2.gz PPUNHLPONHDTCY-HAQNSBGRSA-N 0 1 386.485 1.443 20 0 GDADMN Cc1nn(C)cc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC001571272681 945669119 /nfs/dbraw/zinc/66/91/19/945669119.db2.gz YGYDOWSVZNBHMQ-FZMZJTMJSA-N 0 1 386.485 1.363 20 0 GDADMN Cc1nn(C)cc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC001571272681 945669124 /nfs/dbraw/zinc/66/91/24/945669124.db2.gz YGYDOWSVZNBHMQ-FZMZJTMJSA-N 0 1 386.485 1.363 20 0 GDADMN C[C@H](NCc1csnn1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571280971 945795972 /nfs/dbraw/zinc/79/59/72/945795972.db2.gz AXCMZQQDQZFQAT-JTQLQIEISA-N 0 1 387.473 1.077 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)Cc2cnoc2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571282217 945833280 /nfs/dbraw/zinc/83/32/80/945833280.db2.gz UXHZMYLMWZNRBD-YPMHNXCESA-N 0 1 387.469 1.628 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)Cc2cnoc2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571282217 945833295 /nfs/dbraw/zinc/83/32/95/945833295.db2.gz UXHZMYLMWZNRBD-YPMHNXCESA-N 0 1 387.469 1.628 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)Cc2cnoc2)CC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282217 945833306 /nfs/dbraw/zinc/83/33/06/945833306.db2.gz UXHZMYLMWZNRBD-YPMHNXCESA-N 0 1 387.469 1.628 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)Cc2cnoc2)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282217 945833323 /nfs/dbraw/zinc/83/33/23/945833323.db2.gz UXHZMYLMWZNRBD-YPMHNXCESA-N 0 1 387.469 1.628 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571283074 945874337 /nfs/dbraw/zinc/87/43/37/945874337.db2.gz YVEBBUPIJWYMFO-KBPBESRZSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571283074 945874348 /nfs/dbraw/zinc/87/43/48/945874348.db2.gz YVEBBUPIJWYMFO-KBPBESRZSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571283074 945874361 /nfs/dbraw/zinc/87/43/61/945874361.db2.gz YVEBBUPIJWYMFO-KBPBESRZSA-N 0 1 387.463 1.751 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000822005024 945916968 /nfs/dbraw/zinc/91/69/68/945916968.db2.gz NGVVDQXFEBFDLE-ZWNOBZJWSA-N 0 1 385.472 1.258 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000822005024 945916975 /nfs/dbraw/zinc/91/69/75/945916975.db2.gz NGVVDQXFEBFDLE-ZWNOBZJWSA-N 0 1 385.472 1.258 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000822005024 945916982 /nfs/dbraw/zinc/91/69/82/945916982.db2.gz NGVVDQXFEBFDLE-ZWNOBZJWSA-N 0 1 385.472 1.258 20 0 GDADMN CN(C(=O)[C@@H]1CCCCO1)[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287614 945975516 /nfs/dbraw/zinc/97/55/16/945975516.db2.gz GCYBUVYRNNQQAL-WBVHZDCISA-N 0 1 388.447 1.608 20 0 GDADMN C[C@H]1C[C@@H](C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CO1 ZINC001571288141 945982624 /nfs/dbraw/zinc/98/26/24/945982624.db2.gz MOPZOKHULQQEOL-SWLSCSKDSA-N 0 1 388.447 1.511 20 0 GDADMN COCC(=O)N1CCCC[C@@H]1CN(C)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001571289704 946015372 /nfs/dbraw/zinc/01/53/72/946015372.db2.gz KQNGTWAMDADIOG-MRXNPFEDSA-N 0 1 388.472 1.335 20 0 GDADMN Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001571290184 946031221 /nfs/dbraw/zinc/03/12/21/946031221.db2.gz XEODVJQELIAUEP-MWLCHTKSSA-N 0 1 388.457 1.118 20 0 GDADMN Cc1nonc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001571290184 946031241 /nfs/dbraw/zinc/03/12/41/946031241.db2.gz XEODVJQELIAUEP-MWLCHTKSSA-N 0 1 388.457 1.118 20 0 GDADMN Cc1nonc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001571290184 946031255 /nfs/dbraw/zinc/03/12/55/946031255.db2.gz XEODVJQELIAUEP-MWLCHTKSSA-N 0 1 388.457 1.118 20 0 GDADMN Cc1nonc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001571290184 946031266 /nfs/dbraw/zinc/03/12/66/946031266.db2.gz XEODVJQELIAUEP-MWLCHTKSSA-N 0 1 388.457 1.118 20 0 GDADMN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571290159 946032250 /nfs/dbraw/zinc/03/22/50/946032250.db2.gz WMSDQLMIFGDEAA-INIZCTEOSA-N 0 1 388.457 1.060 20 0 GDADMN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571290159 946032263 /nfs/dbraw/zinc/03/22/63/946032263.db2.gz WMSDQLMIFGDEAA-INIZCTEOSA-N 0 1 388.457 1.060 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(Cl)o1 ZINC001571290678 946050081 /nfs/dbraw/zinc/05/00/81/946050081.db2.gz LPNWYSWBZLNWKK-ZJUUUORDSA-N 0 1 388.819 1.430 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CCCC(F)(F)C1 ZINC001571291250 946073453 /nfs/dbraw/zinc/07/34/53/946073453.db2.gz HHLXZKONJPLVAM-PBOSXPJTSA-N 0 1 389.410 1.638 20 0 GDADMN O=C([C@H]1CCCCC1(F)F)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571294434 946134188 /nfs/dbraw/zinc/13/41/88/946134188.db2.gz GGUMVAIRVMKJNI-SDDRHHMPSA-N 0 1 390.398 1.272 20 0 GDADMN O=C(NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1Cc2cccnc2C1 ZINC001571295520 946166121 /nfs/dbraw/zinc/16/61/21/946166121.db2.gz WKYYDIZYRHGNKV-KRWDZBQOSA-N 0 1 389.463 1.225 20 0 GDADMN O=C(c1cccc(C2CC2)c1)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571297973 946201690 /nfs/dbraw/zinc/20/16/90/946201690.db2.gz FZINMMOYIZPUQM-CYBMUJFWSA-N 0 1 390.451 1.530 20 0 GDADMN O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1=COCCO1 ZINC001571298433 946216561 /nfs/dbraw/zinc/21/65/61/946216561.db2.gz NUCMGAXZMNJUQK-NEPJUHHUSA-N 0 1 390.469 1.333 20 0 GDADMN O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1=COCCO1 ZINC001571298433 946216570 /nfs/dbraw/zinc/21/65/70/946216570.db2.gz NUCMGAXZMNJUQK-NEPJUHHUSA-N 0 1 390.469 1.333 20 0 GDADMN Cc1cc(N2CC[C@]3(NC(=O)c4cccnc4)CCC[C@H]23)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298852 946229391 /nfs/dbraw/zinc/22/93/91/946229391.db2.gz LAOXQZHWOVCMCR-FXAWDEMLSA-N 0 1 390.451 1.897 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001571299678 946259197 /nfs/dbraw/zinc/25/91/97/946259197.db2.gz OLIDTLXGUDWPCD-OAHLLOKOSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001571299678 946259205 /nfs/dbraw/zinc/25/92/05/946259205.db2.gz OLIDTLXGUDWPCD-OAHLLOKOSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001571299678 946259210 /nfs/dbraw/zinc/25/92/10/946259210.db2.gz OLIDTLXGUDWPCD-OAHLLOKOSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001571299678 946259218 /nfs/dbraw/zinc/25/92/18/946259218.db2.gz OLIDTLXGUDWPCD-OAHLLOKOSA-N 0 1 390.513 1.920 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cncnc1C1CC1 ZINC001571299711 946260069 /nfs/dbraw/zinc/26/00/69/946260069.db2.gz ZKHZZTWQXVXWSA-MRXNPFEDSA-N 0 1 390.451 1.538 20 0 GDADMN O=C(C[C@H]1CCCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299747 946261405 /nfs/dbraw/zinc/26/14/05/946261405.db2.gz PDTJBOZFRCYEML-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@H]1CCCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299747 946261414 /nfs/dbraw/zinc/26/14/14/946261414.db2.gz PDTJBOZFRCYEML-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)COC1CCCC1 ZINC001571299872 946263847 /nfs/dbraw/zinc/26/38/47/946263847.db2.gz PZBCABSCENYPIW-STQMWFEESA-N 0 1 390.513 1.966 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)COC1CCCC1 ZINC001571299872 946263856 /nfs/dbraw/zinc/26/38/56/946263856.db2.gz PZBCABSCENYPIW-STQMWFEESA-N 0 1 390.513 1.966 20 0 GDADMN Cc1nsc(N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1-c1nn[n-]n1 ZINC001571299875 946265315 /nfs/dbraw/zinc/26/53/15/946265315.db2.gz QBEQLKIEIYOFCW-ZDUSSCGKSA-N 0 1 390.517 1.520 20 0 GDADMN Cc1nsc(N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)c1-c1nn[n-]n1 ZINC001571300319 946280610 /nfs/dbraw/zinc/28/06/10/946280610.db2.gz ZOIGCGVBNVPCKR-CYBMUJFWSA-N 0 1 390.517 1.376 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302933 946318484 /nfs/dbraw/zinc/31/84/84/946318484.db2.gz DSKRYSYDRCYBHF-CZUORRHYSA-N 0 1 391.435 1.181 20 0 GDADMN Cc1cc(N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303892 946350549 /nfs/dbraw/zinc/35/05/49/946350549.db2.gz SCLSPRNLUNJRPX-SFHVURJKSA-N 0 1 391.435 1.222 20 0 GDADMN C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571307234 946420726 /nfs/dbraw/zinc/42/07/26/946420726.db2.gz AFUJHDYEDKIIPL-QWRGUYRKSA-N 0 1 392.414 1.020 20 0 GDADMN CC1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC(F)(F)CC1 ZINC001571308853 946438167 /nfs/dbraw/zinc/43/81/67/946438167.db2.gz TXNWGOJHJUBWJM-LLVKDONJSA-N 0 1 392.414 1.307 20 0 GDADMN CC(C)c1ncncc1C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571310857 946478864 /nfs/dbraw/zinc/47/88/64/946478864.db2.gz OILPSFGZEYELBU-UHFFFAOYSA-N 0 1 392.467 1.642 20 0 GDADMN COc1cccc(C[C@@H]2CN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)CC[NH2+]2)c1 ZINC001571312783 946500638 /nfs/dbraw/zinc/50/06/38/946500638.db2.gz CXHFYMDJARCTDR-OAHLLOKOSA-N 0 1 392.467 1.564 20 0 GDADMN COc1cccc(C[C@@H]2CN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)CC[NH2+]2)c1 ZINC001571312783 946500650 /nfs/dbraw/zinc/50/06/50/946500650.db2.gz CXHFYMDJARCTDR-OAHLLOKOSA-N 0 1 392.467 1.564 20 0 GDADMN CCCc1ccccc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571313473 946523132 /nfs/dbraw/zinc/52/31/32/946523132.db2.gz PEUPYVKKHMZDLY-AWEZNQCLSA-N 0 1 392.467 1.605 20 0 GDADMN CC(=O)NC[C@H]1CCCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823994891 946536076 /nfs/dbraw/zinc/53/60/76/946536076.db2.gz RIAJHEYDWYOCMT-QAPCUYQASA-N 0 1 397.483 1.210 20 0 GDADMN Cc1cc(C)nc(C(=O)NC[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571314759 946545849 /nfs/dbraw/zinc/54/58/49/946545849.db2.gz CFUCZYIPXJWSDX-HNNXBMFYSA-N 0 1 392.467 1.920 20 0 GDADMN Cc1cccc([C@H](C)C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315833 946561285 /nfs/dbraw/zinc/56/12/85/946561285.db2.gz PAMYLVDZKOKGGI-HOCLYGCPSA-N 0 1 392.467 1.806 20 0 GDADMN Cc1cc(C)c(C(=O)NC[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)[nH]1 ZINC001571316072 946563954 /nfs/dbraw/zinc/56/39/54/946563954.db2.gz SZGMXNBVYYAPJZ-MKZZRHPPSA-N 0 1 392.467 1.627 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)cnn1 ZINC001571316314 946570701 /nfs/dbraw/zinc/57/07/01/946570701.db2.gz ZHEPWSGZQHFDNS-QGZVFWFLSA-N 0 1 392.467 1.606 20 0 GDADMN Cc1ncncc1C(=O)NC[C@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571316503 946578494 /nfs/dbraw/zinc/57/84/94/946578494.db2.gz DTBHEOZTRXEYNM-QGZVFWFLSA-N 0 1 392.467 1.750 20 0 GDADMN Cc1ncccc1CN1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 ZINC001571316746 946586411 /nfs/dbraw/zinc/58/64/11/946586411.db2.gz LKVNTKKPAZPYDB-UHFFFAOYSA-N 0 1 392.467 1.636 20 0 GDADMN Cc1ccccc1CC(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001571317099 946597828 /nfs/dbraw/zinc/59/78/28/946597828.db2.gz VEHGXFPGGOHOLG-HNNXBMFYSA-N 0 1 392.467 1.539 20 0 GDADMN Cc1cnccc1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571317082 946598651 /nfs/dbraw/zinc/59/86/51/946598651.db2.gz VBLFAPDYOGBZPH-GOEBONIOSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1cn(C)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1-c1nn[nH]n1 ZINC001571317257 946604002 /nfs/dbraw/zinc/60/40/02/946604002.db2.gz ZLSZEPAHHPMRCS-OIISXLGYSA-N 0 1 392.467 1.444 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1n[nH]c2c1CCCC2 ZINC001571317264 946604528 /nfs/dbraw/zinc/60/45/28/946604528.db2.gz ZSXRHVMYMFHISH-CQSZACIVSA-N 0 1 392.467 1.473 20 0 GDADMN Cc1cnc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)c(C)c1 ZINC001571317250 946604871 /nfs/dbraw/zinc/60/48/71/946604871.db2.gz ZFVCXJMACYQMQV-OAHLLOKOSA-N 0 1 392.467 1.721 20 0 GDADMN CO[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1)C(C)C ZINC001571317307 946606839 /nfs/dbraw/zinc/60/68/39/946606839.db2.gz BTKBNBJMMYTKEM-IOASZLSFSA-N 0 1 392.529 1.783 20 0 GDADMN CO[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1)C(C)C ZINC001571317307 946606841 /nfs/dbraw/zinc/60/68/41/946606841.db2.gz BTKBNBJMMYTKEM-IOASZLSFSA-N 0 1 392.529 1.783 20 0 GDADMN CC[C@H](C)NC(=O)[C@H](C)NCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068702 947065428 /nfs/dbraw/zinc/06/54/28/947065428.db2.gz VNFAFWUSNCMZAJ-STQMWFEESA-N 0 1 382.472 1.660 20 0 GDADMN CC[NH+]1CCC(n2nccc2NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825452465 947194943 /nfs/dbraw/zinc/19/49/43/947194943.db2.gz OWBWOIUNHDLDIC-UHFFFAOYSA-N 0 1 385.432 1.198 20 0 GDADMN CC[NH+]1CCC(n2nccc2NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825452465 947194947 /nfs/dbraw/zinc/19/49/47/947194947.db2.gz OWBWOIUNHDLDIC-UHFFFAOYSA-N 0 1 385.432 1.198 20 0 GDADMN C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586911 947297872 /nfs/dbraw/zinc/29/78/72/947297872.db2.gz UMLXFEBMBXVJHC-CABCVRRESA-N 0 1 386.504 1.785 20 0 GDADMN C[C@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573594640 947403391 /nfs/dbraw/zinc/40/33/91/947403391.db2.gz BPPQXYRHWUOBFX-LBPRGKRZSA-N 0 1 386.485 1.807 20 0 GDADMN CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1(C)C ZINC000826144524 947457052 /nfs/dbraw/zinc/45/70/52/947457052.db2.gz LWNACNWKHXVREO-AVPPRXQKSA-N 0 1 378.458 1.479 20 0 GDADMN C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1cccc(Cl)c1 ZINC001573605761 947535251 /nfs/dbraw/zinc/53/52/51/947535251.db2.gz ZISRTNMCAZTWEZ-NSHDSACASA-N 0 1 386.847 1.406 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573614205 947580194 /nfs/dbraw/zinc/58/01/94/947580194.db2.gz DAHLTJCSDMSBKR-UONOGXRCSA-N 0 1 381.444 1.004 20 0 GDADMN C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573614396 947584275 /nfs/dbraw/zinc/58/42/75/947584275.db2.gz DWKOGBATHDNGEM-ZDUSSCGKSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573614912 947594903 /nfs/dbraw/zinc/59/49/03/947594903.db2.gz BMRJSDNDWIPAAG-SNVBAGLBSA-N 0 1 383.378 1.887 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573616064 947617368 /nfs/dbraw/zinc/61/73/68/947617368.db2.gz LKHLTXHHLMIDOO-OLZOCXBDSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573616064 947617374 /nfs/dbraw/zinc/61/73/74/947617374.db2.gz LKHLTXHHLMIDOO-OLZOCXBDSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573616068 947618005 /nfs/dbraw/zinc/61/80/05/947618005.db2.gz LKHLTXHHLMIDOO-QWHCGFSZSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573616068 947618008 /nfs/dbraw/zinc/61/80/08/947618008.db2.gz LKHLTXHHLMIDOO-QWHCGFSZSA-N 0 1 386.485 1.324 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573354401 947632612 /nfs/dbraw/zinc/63/26/12/947632612.db2.gz BTDLLFHOHOGDBK-OLZOCXBDSA-N 0 1 378.440 1.731 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1Cc1ccc(O)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573629373 947776877 /nfs/dbraw/zinc/77/68/77/947776877.db2.gz SHTAWLWHSIOZML-JSGCOSHPSA-N 0 1 382.428 1.349 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccsc1 ZINC001573637507 947814511 /nfs/dbraw/zinc/81/45/11/947814511.db2.gz GXZGVROYMMXELE-TZMCWYRMSA-N 0 1 383.481 1.952 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573638015 947831651 /nfs/dbraw/zinc/83/16/51/947831651.db2.gz YPYBTZSKTBLMKS-MAUKXSAKSA-N 0 1 384.484 1.716 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](C)CN(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573376851 947842500 /nfs/dbraw/zinc/84/25/00/947842500.db2.gz ZJUWZCKGSFAIBG-LBPRGKRZSA-N 0 1 376.436 1.702 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1F ZINC001573642178 947859367 /nfs/dbraw/zinc/85/93/67/947859367.db2.gz OJNYRSBXOMSBFP-GFCCVEGCSA-N 0 1 382.403 1.248 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CN(Cc2ccccc2-c2nn[nH]n2)CC1(C)C ZINC001573380935 947867229 /nfs/dbraw/zinc/86/72/29/947867229.db2.gz KMTCNPZJYRZRKP-KRWDZBQOSA-N 0 1 384.484 1.953 20 0 GDADMN CC(=O)CCCC(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573382113 947883776 /nfs/dbraw/zinc/88/37/76/947883776.db2.gz DXXCVVZVTNREHA-OAHLLOKOSA-N 0 1 385.472 1.662 20 0 GDADMN C[C@@H](C(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573652260 947932940 /nfs/dbraw/zinc/93/29/40/947932940.db2.gz BYWYKJOJZFNTKT-ORAYPTAESA-N 0 1 380.456 1.443 20 0 GDADMN C[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccn1 ZINC001573652640 947945341 /nfs/dbraw/zinc/94/53/41/947945341.db2.gz FSNSFLMGOHFDQS-BXUZGUMPSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccn1 ZINC001573652640 947945348 /nfs/dbraw/zinc/94/53/48/947945348.db2.gz FSNSFLMGOHFDQS-BXUZGUMPSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573654707 947970092 /nfs/dbraw/zinc/97/00/92/947970092.db2.gz SWYOKSZWRAQMRA-XCLFUZPHSA-N 0 1 392.467 1.579 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826346808 948045731 /nfs/dbraw/zinc/04/57/31/948045731.db2.gz WFLMTTLTKRZINY-CZUORRHYSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826346808 948045740 /nfs/dbraw/zinc/04/57/40/948045740.db2.gz WFLMTTLTKRZINY-CZUORRHYSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826346808 948045750 /nfs/dbraw/zinc/04/57/50/948045750.db2.gz WFLMTTLTKRZINY-CZUORRHYSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826346808 948045760 /nfs/dbraw/zinc/04/57/60/948045760.db2.gz WFLMTTLTKRZINY-CZUORRHYSA-N 0 1 395.467 1.732 20 0 GDADMN C[C@H](C(=O)N[C@@]1(CO)CCCN(Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573664258 948050621 /nfs/dbraw/zinc/05/06/21/948050621.db2.gz SNMFWWQRFBZYGI-XOBRGWDASA-N 0 1 384.484 1.356 20 0 GDADMN C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573666458 948087298 /nfs/dbraw/zinc/08/72/98/948087298.db2.gz TXYLXMRMPAFRLV-RLAWYHOSSA-N 0 1 384.488 1.955 20 0 GDADMN C[C@@H](C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C(C)(F)F ZINC001573666433 948088003 /nfs/dbraw/zinc/08/80/03/948088003.db2.gz TUFHAUAVVZYZER-WTKRKHQCSA-N 0 1 392.414 1.209 20 0 GDADMN C[C@H](C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccsc1 ZINC001573674644 948119146 /nfs/dbraw/zinc/11/91/46/948119146.db2.gz ORXDCJFGJUTJQC-NSHDSACASA-N 0 1 384.469 1.607 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001573680683 948185887 /nfs/dbraw/zinc/18/58/87/948185887.db2.gz PQEHIMZZEWDHML-CXAGYDPISA-N 0 1 380.456 1.435 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001573680687 948186300 /nfs/dbraw/zinc/18/63/00/948186300.db2.gz PQEHIMZZEWDHML-SUMWQHHRSA-N 0 1 380.456 1.435 20 0 GDADMN CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)(c2ccccc2)CC1 ZINC001573432441 948188026 /nfs/dbraw/zinc/18/80/26/948188026.db2.gz BOVZIFDBLOUWBE-UHFFFAOYSA-N 0 1 378.440 1.071 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)n1cccc1 ZINC001573681104 948195860 /nfs/dbraw/zinc/19/58/60/948195860.db2.gz ULALULBOTZOTCS-QWHCGFSZSA-N 0 1 381.444 1.050 20 0 GDADMN O=C(NCc1c[nH]nn1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1 ZINC000826440409 948300992 /nfs/dbraw/zinc/30/09/92/948300992.db2.gz LSPWMRJYIWAZSV-UHFFFAOYSA-N 0 1 385.779 1.146 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573703468 948355343 /nfs/dbraw/zinc/35/53/43/948355343.db2.gz KGNHUYAQAGAQEW-GJZGRUSLSA-N 0 1 380.456 1.657 20 0 GDADMN C[C@@H](C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCCCC1 ZINC001573705401 948400793 /nfs/dbraw/zinc/40/07/93/948400793.db2.gz FLDJFGUFFDSUNC-WSNITJDQSA-N 0 1 385.476 1.006 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573714363 948472692 /nfs/dbraw/zinc/47/26/92/948472692.db2.gz GQMRQTOTZLOWBV-KGLIPLIRSA-N 0 1 381.440 1.991 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573715283 948487677 /nfs/dbraw/zinc/48/76/77/948487677.db2.gz SNCGULSKHZNSLC-GHMZBOCLSA-N 0 1 383.378 1.793 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573730070 948575419 /nfs/dbraw/zinc/57/54/19/948575419.db2.gz LTUUSKNDGNHVKN-IHRRRGAJSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573730070 948575425 /nfs/dbraw/zinc/57/54/25/948575425.db2.gz LTUUSKNDGNHVKN-IHRRRGAJSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CCC1 ZINC001573753443 948719302 /nfs/dbraw/zinc/71/93/02/948719302.db2.gz VEOFUFOKGZWIGU-YRINGNFDSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573753709 948721464 /nfs/dbraw/zinc/72/14/64/948721464.db2.gz XCSGIUKCDKVBCV-VLEAKVRGSA-N 0 1 378.387 1.174 20 0 GDADMN CC(F)(F)C1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575222262 948755143 /nfs/dbraw/zinc/75/51/43/948755143.db2.gz HMSZPZACTQCRBZ-SNVBAGLBSA-N 0 1 378.387 1.035 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575223919 948774112 /nfs/dbraw/zinc/77/41/12/948774112.db2.gz PIDRMXVHYIWVSP-SNVBAGLBSA-N 0 1 378.387 1.177 20 0 GDADMN C[C@H](CNC(=O)CCCc1cccs1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574918025 948832618 /nfs/dbraw/zinc/83/26/18/948832618.db2.gz FXQVXSAZCXQGNZ-LBPRGKRZSA-N 0 1 386.485 1.327 20 0 GDADMN C[C@H](CNC(=O)CCCc1ccccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918004 948832810 /nfs/dbraw/zinc/83/28/10/948832810.db2.gz FKYLSLLMGJFIIF-CYBMUJFWSA-N 0 1 385.497 1.940 20 0 GDADMN C[C@H](CNC(=O)CCCc1ccccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574918004 948832826 /nfs/dbraw/zinc/83/28/26/948832826.db2.gz FKYLSLLMGJFIIF-CYBMUJFWSA-N 0 1 385.497 1.940 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573761509 948845034 /nfs/dbraw/zinc/84/50/34/948845034.db2.gz JEROVYKMYWSSEC-SNVBAGLBSA-N 0 1 380.403 1.020 20 0 GDADMN CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001574424549 948854249 /nfs/dbraw/zinc/85/42/49/948854249.db2.gz PNMYCBCWYJLMAB-LLVKDONJSA-N 0 1 387.469 1.071 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573763311 948867849 /nfs/dbraw/zinc/86/78/49/948867849.db2.gz CRUKRJVPZGJYAU-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C[C@H]1CCOC1 ZINC001574684696 948883410 /nfs/dbraw/zinc/88/34/10/948883410.db2.gz KYXCBJNIYHQMPV-DTWKUNHWSA-N 0 1 385.881 1.710 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001573764321 948885970 /nfs/dbraw/zinc/88/59/70/948885970.db2.gz MUZPZOLRZZUFBH-HNNXBMFYSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1n[nH]cc1F ZINC001574684856 948891533 /nfs/dbraw/zinc/89/15/33/948891533.db2.gz NVWJDUMYPIVICL-RXMQYKEDSA-N 0 1 385.816 1.459 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncnc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920425 948903526 /nfs/dbraw/zinc/90/35/26/948903526.db2.gz KWQHHFRWKIBFBB-LBPRGKRZSA-N 0 1 384.419 1.023 20 0 GDADMN CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575238353 948950550 /nfs/dbraw/zinc/95/05/50/948950550.db2.gz LBXJYSVPDGFUEO-LLVKDONJSA-N 0 1 380.403 1.425 20 0 GDADMN CC(F)(F)CCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001575239057 948957307 /nfs/dbraw/zinc/95/73/07/948957307.db2.gz PSKNZJNUZQOEQC-UHFFFAOYSA-N 0 1 380.403 1.355 20 0 GDADMN CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575239507 948960204 /nfs/dbraw/zinc/96/02/04/948960204.db2.gz SXSVXHPYNNLPSC-NSHDSACASA-N 0 1 380.403 1.425 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574689512 948987303 /nfs/dbraw/zinc/98/73/03/948987303.db2.gz HPCIVRLFXXPZDT-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574689512 948987316 /nfs/dbraw/zinc/98/73/16/948987316.db2.gz HPCIVRLFXXPZDT-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)c1nnc(CN[C@@H](C)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC001574435475 948995272 /nfs/dbraw/zinc/99/52/72/948995272.db2.gz VOFDBAUDBUTGLB-JTQLQIEISA-N 0 1 389.489 1.468 20 0 GDADMN C[C@@H](c1ccc(F)c(F)c1)N(C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575503122 949039031 /nfs/dbraw/zinc/03/90/31/949039031.db2.gz JHWQMSZTTXJKAC-JTQLQIEISA-N 0 1 375.383 1.896 20 0 GDADMN CC(C)c1nsc(CN[C@@H](C)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574441463 949057228 /nfs/dbraw/zinc/05/72/28/949057228.db2.gz LMCFYEXLNOZYGK-JTQLQIEISA-N 0 1 389.489 1.468 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574094121 949127148 /nfs/dbraw/zinc/12/71/48/949127148.db2.gz XMZIDYBXZBOVQV-KGLIPLIRSA-N 0 1 385.472 1.053 20 0 GDADMN C[C@@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575251284 949133874 /nfs/dbraw/zinc/13/38/74/949133874.db2.gz AHYQGPZTSYSIAX-KGLIPLIRSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C1(c2ccccc2)CCC1 ZINC001575251661 949143705 /nfs/dbraw/zinc/14/37/05/949143705.db2.gz BVZNWDNJLZGTTP-KGLIPLIRSA-N 0 1 392.467 1.506 20 0 GDADMN C[C@@H](NC(=O)C1(C)CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251719 949144830 /nfs/dbraw/zinc/14/48/30/949144830.db2.gz CAWBTHYBDGELHE-GFCCVEGCSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](NC(=O)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1)C1=NN(C)CC1=O ZINC001575252747 949170702 /nfs/dbraw/zinc/17/07/02/949170702.db2.gz HFNSOHWWJILKFE-GFCCVEGCSA-N 0 1 381.440 1.995 20 0 GDADMN C[C@H](NC(=O)[C@@]1(C)CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575252913 949175993 /nfs/dbraw/zinc/17/59/93/949175993.db2.gz IHLPSJFOCQXFOT-BUXKBTBVSA-N 0 1 388.447 1.369 20 0 GDADMN CC(C)c1ocnc1CN[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574450257 949204605 /nfs/dbraw/zinc/20/46/05/949204605.db2.gz XSMNAOVNDIXQFY-HAQNSBGRSA-N 0 1 384.444 1.604 20 0 GDADMN C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576151189 949208547 /nfs/dbraw/zinc/20/85/47/949208547.db2.gz DJDBNORUCJATNR-HUUCEWRRSA-N 0 1 387.488 1.752 20 0 GDADMN C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575255345 949228276 /nfs/dbraw/zinc/22/82/76/949228276.db2.gz ZGBXFRIHTIQRKO-OLZOCXBDSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](c1ccccc1F)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001575517343 949229984 /nfs/dbraw/zinc/22/99/84/949229984.db2.gz VDLXJHHQYXEYTQ-SMDDNHRTSA-N 0 1 382.403 1.382 20 0 GDADMN CC(C)CC(=O)N1CCCC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574106143 949272545 /nfs/dbraw/zinc/27/25/45/949272545.db2.gz FROQGLFMCCFZNK-LJQANCHMSA-N 0 1 384.488 1.912 20 0 GDADMN CC(C)n1cc(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001574452901 949275345 /nfs/dbraw/zinc/27/53/45/949275345.db2.gz QQQOUPANCGDBQZ-AWEZNQCLSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccoc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574941223 949294610 /nfs/dbraw/zinc/29/46/10/949294610.db2.gz BXEHDAVWWYJLAC-QMMMGPOBSA-N 0 1 381.849 1.753 20 0 GDADMN CC(C)(C)C(=O)N1C[C@@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@@H]2C1 ZINC001573795306 949322903 /nfs/dbraw/zinc/32/29/03/949322903.db2.gz LTBSUKWHLWTQIB-DTORHVGOSA-N 0 1 381.893 1.917 20 0 GDADMN C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576154232 949326383 /nfs/dbraw/zinc/32/63/83/949326383.db2.gz OGOJMZWYJAKWGC-ORAYPTAESA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)n1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001574458671 949346815 /nfs/dbraw/zinc/34/68/15/949346815.db2.gz WZFOFGLGVZXGAF-GFCCVEGCSA-N 0 1 386.485 1.710 20 0 GDADMN CC(C)n1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001574458671 949346830 /nfs/dbraw/zinc/34/68/30/949346830.db2.gz WZFOFGLGVZXGAF-GFCCVEGCSA-N 0 1 386.485 1.710 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc[nH]1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942335 949348362 /nfs/dbraw/zinc/34/83/62/949348362.db2.gz YOTFIXWNXSFMLH-MRVPVSSYSA-N 0 1 380.865 1.488 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574704590 949400010 /nfs/dbraw/zinc/40/00/10/949400010.db2.gz DEQBUEKVTAPGLA-YOEHRIQHSA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574704590 949400019 /nfs/dbraw/zinc/40/00/19/949400019.db2.gz DEQBUEKVTAPGLA-YOEHRIQHSA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)n1cnc(C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC001574464301 949408160 /nfs/dbraw/zinc/40/81/60/949408160.db2.gz JMGMUGCPSJVKQZ-UHFFFAOYSA-N 0 1 388.501 1.910 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574465023 949423383 /nfs/dbraw/zinc/42/33/83/949423383.db2.gz SYMWQQRIIULSKD-CYBMUJFWSA-N 0 1 381.444 1.295 20 0 GDADMN CC(C)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001574116578 949429921 /nfs/dbraw/zinc/42/99/21/949429921.db2.gz ARIOQPKHVYVMPE-BDAKNGLRSA-N 0 1 385.881 1.079 20 0 GDADMN CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4ccnc(-c5nn[nH]n5)n4)[C@H]3C2)CCC1 ZINC001575534904 949434865 /nfs/dbraw/zinc/43/48/65/949434865.db2.gz RXOBOMHENGVKKR-IHRRRGAJSA-N 0 1 382.472 1.308 20 0 GDADMN CC1(C(=O)N2CCC([C@@H]3CCCN3c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575535617 949452517 /nfs/dbraw/zinc/45/25/17/949452517.db2.gz ZLRCFRZDMHSIMK-AWEZNQCLSA-N 0 1 382.472 1.664 20 0 GDADMN C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575265844 949455805 /nfs/dbraw/zinc/45/58/05/949455805.db2.gz VUERLVBJPJLPSE-UKRRQHHQSA-N 0 1 385.472 1.409 20 0 GDADMN CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573805944 949480800 /nfs/dbraw/zinc/48/08/00/949480800.db2.gz DZHNGMWKLAAWFG-UHFFFAOYSA-N 0 1 378.440 1.839 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574469454 949481067 /nfs/dbraw/zinc/48/10/67/949481067.db2.gz DQNDKDIFNDBUFS-JOCQHMNTSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNCc1ccon1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576157544 949486946 /nfs/dbraw/zinc/48/69/46/949486946.db2.gz RHNSVZTUCOOFGU-XIKOKIGWSA-N 0 1 384.444 1.651 20 0 GDADMN C[C@]1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCCOC1 ZINC001575538008 949507155 /nfs/dbraw/zinc/50/71/55/949507155.db2.gz ZODBSXLKEXBBIT-SFHVURJKSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@]1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)CCCOC1 ZINC001575538008 949507189 /nfs/dbraw/zinc/50/71/89/949507189.db2.gz ZODBSXLKEXBBIT-SFHVURJKSA-N 0 1 390.513 1.826 20 0 GDADMN CC(C)CC(=O)NC[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21 ZINC001574121503 949517326 /nfs/dbraw/zinc/51/73/26/949517326.db2.gz RMPJAJPLNUUQER-OWUUHHOZSA-N 0 1 381.893 1.821 20 0 GDADMN C[C@@H](CN(C)C(=O)C1CCOCC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574710968 949524333 /nfs/dbraw/zinc/52/43/33/949524333.db2.gz CRKMXFPDNFQJTG-QMMMGPOBSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)CC(C)(C)O ZINC001576160046 949526628 /nfs/dbraw/zinc/52/66/28/949526628.db2.gz YZQZVIVTCYXWDY-YJYMSZOUSA-N 0 1 387.488 1.322 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576164552 949553503 /nfs/dbraw/zinc/55/35/03/949553503.db2.gz HEGCEELPLOWGJF-DYVFJYSZSA-N 0 1 383.456 1.417 20 0 GDADMN CC1(C(=O)N2CCC[C@](CO)(NCc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001575539837 949559762 /nfs/dbraw/zinc/55/97/62/949559762.db2.gz UJNBWGRLPBVBCD-IBGZPJMESA-N 0 1 388.447 1.249 20 0 GDADMN C[C@@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270531 949594772 /nfs/dbraw/zinc/59/47/72/949594772.db2.gz DOGQQVGDFFMXCJ-UONOGXRCSA-N 0 1 380.456 1.407 20 0 GDADMN C[C@H](CC(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1F ZINC001574476819 949618834 /nfs/dbraw/zinc/61/88/34/949618834.db2.gz HKWOJHXSSRKOSN-GFCCVEGCSA-N 0 1 384.419 1.282 20 0 GDADMN C[C@H](NC(=O)CC[C@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575271359 949618970 /nfs/dbraw/zinc/61/89/70/949618970.db2.gz JSGJVMYIOYVUMY-STQMWFEESA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](NC(=O)CCCc1ccsc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575271654 949625122 /nfs/dbraw/zinc/62/51/22/949625122.db2.gz LQXPCBYBVZVLKJ-RYUDHWBXSA-N 0 1 386.485 1.468 20 0 GDADMN C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574957771 949632877 /nfs/dbraw/zinc/63/28/77/949632877.db2.gz ICGRKIYMMIMNOB-HUUCEWRRSA-N 0 1 379.468 1.727 20 0 GDADMN C[C@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575272437 949646152 /nfs/dbraw/zinc/64/61/52/949646152.db2.gz QRUFALZFHZNCLV-ZFWWWQNUSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2cccnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576168860 949654398 /nfs/dbraw/zinc/65/43/98/949654398.db2.gz CTLJESJJZLYPQE-RDTXWAMCSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716062 949679288 /nfs/dbraw/zinc/67/92/88/949679288.db2.gz IAANNJVMBZPDEH-UONOGXRCSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574716389 949692013 /nfs/dbraw/zinc/69/20/13/949692013.db2.gz NWUWOXONKBYHMS-KGLIPLIRSA-N 0 1 380.456 1.531 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCOC1 ZINC001573817765 949703231 /nfs/dbraw/zinc/70/32/31/949703231.db2.gz AVNIAQZIZZNLDK-CJNGLKHVSA-N 0 1 387.488 1.443 20 0 GDADMN CCCCCC[C@@](O)(C[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)C(=O)OC ZINC001589644866 949713460 /nfs/dbraw/zinc/71/34/60/949713460.db2.gz CPIOULPECDSLDO-VDOJBYNZSA-N 0 1 399.484 1.447 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718015 949757905 /nfs/dbraw/zinc/75/79/05/949757905.db2.gz REIVXFQNVWWZOP-CHWSQXEVSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718015 949757915 /nfs/dbraw/zinc/75/79/15/949757915.db2.gz REIVXFQNVWWZOP-CHWSQXEVSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001574481543 949787850 /nfs/dbraw/zinc/78/78/50/949787850.db2.gz RFZZELXVWAVESV-VIFPVBQESA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576172070 949791326 /nfs/dbraw/zinc/79/13/26/949791326.db2.gz UMZKSILVGFZCRF-ZFWWWQNUSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576172070 949791335 /nfs/dbraw/zinc/79/13/35/949791335.db2.gz UMZKSILVGFZCRF-ZFWWWQNUSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574481888 949807162 /nfs/dbraw/zinc/80/71/62/949807162.db2.gz XDCOTENDSUCZAS-UONOGXRCSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H](NC(=O)COCC1CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575282180 949825799 /nfs/dbraw/zinc/82/57/99/949825799.db2.gz IUSDHPSQIPKZIT-NSHDSACASA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574722121 949826830 /nfs/dbraw/zinc/82/68/30/949826830.db2.gz PLTHXCUFQHBYTE-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574722121 949826849 /nfs/dbraw/zinc/82/68/49/949826849.db2.gz PLTHXCUFQHBYTE-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573825527 949885344 /nfs/dbraw/zinc/88/53/44/949885344.db2.gz ZJCRQQZIXDLFSE-BPCQOVAHSA-N 0 1 392.529 1.567 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573825527 949885370 /nfs/dbraw/zinc/88/53/70/949885370.db2.gz ZJCRQQZIXDLFSE-BPCQOVAHSA-N 0 1 392.529 1.567 20 0 GDADMN CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574142991 949886902 /nfs/dbraw/zinc/88/69/02/949886902.db2.gz DPINUKDNQWRBFL-RBSFLKMASA-N 0 1 387.488 1.584 20 0 GDADMN CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@H]3C2)CCC1 ZINC001575565955 949889368 /nfs/dbraw/zinc/88/93/68/949889368.db2.gz ZDWLINRCKIDONO-HZSPNIEDSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H](NC(=O)COCC(F)F)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575284800 949916453 /nfs/dbraw/zinc/91/64/53/949916453.db2.gz WOFBCIKEDFRBPX-NSHDSACASA-N 0 1 380.399 1.085 20 0 GDADMN CC(C)(C)CC(=O)N(CCO)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573829160 949946323 /nfs/dbraw/zinc/94/63/23/949946323.db2.gz WVZNWWORWCJINR-UHFFFAOYSA-N 0 1 387.897 1.646 20 0 GDADMN C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574489983 949974105 /nfs/dbraw/zinc/97/41/05/949974105.db2.gz MIIXUWAWCYZVNN-YPMHNXCESA-N 0 1 382.428 1.172 20 0 GDADMN C[C@]1(C(=O)NCC2(NCc3ccc(-c4nn[nH]n4)cc3F)CC2)CCCOC1 ZINC001575574897 950035941 /nfs/dbraw/zinc/03/59/41/950035941.db2.gz BIHKIJABQGBVEB-SFHVURJKSA-N 0 1 388.447 1.561 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891873 950038912 /nfs/dbraw/zinc/03/89/12/950038912.db2.gz ORVMYONGJADNEV-BXUZGUMPSA-N 0 1 382.403 1.583 20 0 GDADMN CC(C)C[C@H](CN[C@H](C)c1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151014 950052577 /nfs/dbraw/zinc/05/25/77/950052577.db2.gz JLGWEBFFCYFCJJ-CHWSQXEVSA-N 0 1 383.460 1.480 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cocn1 ZINC001574151240 950063637 /nfs/dbraw/zinc/06/36/37/950063637.db2.gz OBXSQLRQFNGMMR-LLVKDONJSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cocn1 ZINC001574151240 950063661 /nfs/dbraw/zinc/06/36/61/950063661.db2.gz OBXSQLRQFNGMMR-LLVKDONJSA-N 0 1 375.458 1.851 20 0 GDADMN C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCCC2)CCOC1 ZINC001575576187 950066325 /nfs/dbraw/zinc/06/63/25/950066325.db2.gz PCRZAOBLHJSXGL-KRWDZBQOSA-N 0 1 390.513 1.873 20 0 GDADMN C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCCC2)CCOC1 ZINC001575576187 950066347 /nfs/dbraw/zinc/06/63/47/950066347.db2.gz PCRZAOBLHJSXGL-KRWDZBQOSA-N 0 1 390.513 1.873 20 0 GDADMN C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574492301 950072361 /nfs/dbraw/zinc/07/23/61/950072361.db2.gz LXMIDVZETNGWSQ-AWEZNQCLSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001574492446 950081184 /nfs/dbraw/zinc/08/11/84/950081184.db2.gz MVHXRYPRFXYXCG-SECBINFHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cncnc2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575893969 950099390 /nfs/dbraw/zinc/09/93/90/950099390.db2.gz CBBNGNXPVNJWFO-GUYCJALGSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184661 950136854 /nfs/dbraw/zinc/13/68/54/950136854.db2.gz WWHJOVXRCSJJAI-YPMHNXCESA-N 0 1 391.426 1.625 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576184730 950142036 /nfs/dbraw/zinc/14/20/36/950142036.db2.gz XIFWDQIUMRBPGC-WBMJQRKESA-N 0 1 382.428 1.415 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccnnc2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575898226 950152993 /nfs/dbraw/zinc/15/29/93/950152993.db2.gz RXSIFLDBERNCII-SUMWQHHRSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001574155479 950192748 /nfs/dbraw/zinc/19/27/48/950192748.db2.gz LXAQDQXBAWBGRL-TTZDDIAXSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CN[C@H](C)c1nc(C2CC2)no1 ZINC001574983535 950221841 /nfs/dbraw/zinc/22/18/41/950221841.db2.gz PEJHYYRIANRYQO-NXEZZACHSA-N 0 1 385.432 1.172 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cccs1 ZINC001574156089 950223685 /nfs/dbraw/zinc/22/36/85/950223685.db2.gz WICAGEFIDSUWFU-LBPRGKRZSA-N 0 1 386.485 1.326 20 0 GDADMN C[C@@H]1[C@@H](NCc2cc(C3CC3)no2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575901200 950225973 /nfs/dbraw/zinc/22/59/73/950225973.db2.gz MCVALCGEGQPQKA-MFKMUULPSA-N 0 1 382.428 1.453 20 0 GDADMN C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192743 950263017 /nfs/dbraw/zinc/26/30/17/950263017.db2.gz QPURLYYXMRNRPG-RBZJEDDUSA-N 0 1 381.484 1.626 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cncs1 ZINC001575904716 950284101 /nfs/dbraw/zinc/28/41/01/950284101.db2.gz AMCGVMLOYFYLTN-GXSJLCMTSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cncs1 ZINC001575904716 950284129 /nfs/dbraw/zinc/28/41/29/950284129.db2.gz AMCGVMLOYFYLTN-GXSJLCMTSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574501234 950328315 /nfs/dbraw/zinc/32/83/15/950328315.db2.gz BRPCPAOYQUVQGB-OAHLLOKOSA-N 0 1 379.468 1.868 20 0 GDADMN CC1CCN(CC(=O)N[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C2CC2)CC1 ZINC001576202854 950433530 /nfs/dbraw/zinc/43/35/30/950433530.db2.gz DCWAQYGIKMHAGV-KRWDZBQOSA-N 0 1 384.488 1.300 20 0 GDADMN CC1CCN(CC(=O)N[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C2CC2)CC1 ZINC001576202855 950434760 /nfs/dbraw/zinc/43/47/60/950434760.db2.gz DCWAQYGIKMHAGV-QGZVFWFLSA-N 0 1 384.488 1.300 20 0 GDADMN CC1(C(=O)NCc2ccc3c(c2)CN(c2ccnc(-c4nn[nH]n4)n2)C3)CC1 ZINC001575600179 950436501 /nfs/dbraw/zinc/43/65/01/950436501.db2.gz UOMCJSWAUATSFX-UHFFFAOYSA-N 0 1 376.424 1.593 20 0 GDADMN CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2c2ccccc2)CC1 ZINC001575604940 950449751 /nfs/dbraw/zinc/44/97/51/950449751.db2.gz GYQCIUBCGZZVGZ-LSDHHAIUSA-N 0 1 390.451 1.545 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC2(CNc3ccc(-c4nn[n-]n4)nc3)CCCC2)C1 ZINC001576204276 950460739 /nfs/dbraw/zinc/46/07/39/950460739.db2.gz NBYGADGJWVFZHC-AWEZNQCLSA-N 0 1 384.488 1.444 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC2(CNc3ccc(-c4nn[n-]n4)nc3)CCCC2)C1 ZINC001576204276 950460748 /nfs/dbraw/zinc/46/07/48/950460748.db2.gz NBYGADGJWVFZHC-AWEZNQCLSA-N 0 1 384.488 1.444 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574751461 950461182 /nfs/dbraw/zinc/46/11/82/950461182.db2.gz NVMROJVSVKPORN-GFCCVEGCSA-N 0 1 380.456 1.463 20 0 GDADMN C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574508668 950481039 /nfs/dbraw/zinc/48/10/39/950481039.db2.gz LOJCKWSBMGQILE-LBPRGKRZSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574508870 950488566 /nfs/dbraw/zinc/48/85/66/950488566.db2.gz PRMMUAYMOVVDDZ-RYUDHWBXSA-N 0 1 384.419 1.328 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574996440 950528403 /nfs/dbraw/zinc/52/84/03/950528403.db2.gz NPACCKBUKXXZHN-SNVBAGLBSA-N 0 1 388.501 1.857 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574996440 950528423 /nfs/dbraw/zinc/52/84/23/950528423.db2.gz NPACCKBUKXXZHN-SNVBAGLBSA-N 0 1 388.501 1.857 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576205895 950545717 /nfs/dbraw/zinc/54/57/17/950545717.db2.gz QZLQFCQJUQYOFG-UONOGXRCSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576205895 950545731 /nfs/dbraw/zinc/54/57/31/950545731.db2.gz QZLQFCQJUQYOFG-UONOGXRCSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)n1cccc1 ZINC001574511393 950562021 /nfs/dbraw/zinc/56/20/21/950562021.db2.gz JPTQUTHOMPHPNM-HZSPNIEDSA-N 0 1 381.444 1.050 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCCOC1 ZINC001575614963 950563160 /nfs/dbraw/zinc/56/31/60/950563160.db2.gz WYQMXYWATASATH-VAGZCVSGSA-N 0 1 388.497 1.291 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCCOC1 ZINC001575614963 950563180 /nfs/dbraw/zinc/56/31/80/950563180.db2.gz WYQMXYWATASATH-VAGZCVSGSA-N 0 1 388.497 1.291 20 0 GDADMN CC1(C)C(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1(C)C ZINC001575619180 950618336 /nfs/dbraw/zinc/61/83/36/950618336.db2.gz NDTOUTZAVUBMRD-CNDDSTCGSA-N 0 1 382.472 1.137 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001575000873 950618976 /nfs/dbraw/zinc/61/89/76/950618976.db2.gz HLJQDFDJOSZGGE-SECBINFHSA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575919619 950620486 /nfs/dbraw/zinc/62/04/86/950620486.db2.gz IMDKPOZHSFWTIF-ZANVPECISA-N 0 1 386.366 1.072 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576209219 950628208 /nfs/dbraw/zinc/62/82/08/950628208.db2.gz ZBBMWIOGYLKKJV-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576209219 950628219 /nfs/dbraw/zinc/62/82/19/950628219.db2.gz ZBBMWIOGYLKKJV-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575001498 950633508 /nfs/dbraw/zinc/63/35/08/950633508.db2.gz LRUOUOCDGXFRLR-LLVKDONJSA-N 0 1 382.428 1.028 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001575001585 950634747 /nfs/dbraw/zinc/63/47/47/950634747.db2.gz WBFXYMJLLGXCBA-ZETCQYMHSA-N 0 1 381.227 1.549 20 0 GDADMN CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1 ZINC001589743956 950639512 /nfs/dbraw/zinc/63/95/12/950639512.db2.gz GHSVWQOPXAEEQN-LFDOHDQPSA-N 0 1 396.532 1.114 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573873329 950640126 /nfs/dbraw/zinc/64/01/26/950640126.db2.gz JGDJVJUFFDZWHY-HDJSIYSDSA-N 0 1 387.488 1.586 20 0 GDADMN CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)[O-])CC1 ZINC001589744286 950646168 /nfs/dbraw/zinc/64/61/68/950646168.db2.gz NTSOZGVOOLHYTC-KRWDZBQOSA-N 0 1 375.469 1.133 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCCc1ccccc1 ZINC001575923256 950654465 /nfs/dbraw/zinc/65/44/65/950654465.db2.gz PZHVZPKBTJWYNN-GDBMZVCRSA-N 0 1 392.467 1.503 20 0 GDADMN CCN1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H](C)C(=O)[O-])cc2)CC1 ZINC001589744640 950663127 /nfs/dbraw/zinc/66/31/27/950663127.db2.gz YDLMRLIHKRUVTQ-INIZCTEOSA-N 0 1 376.501 1.686 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC001575923570 950663330 /nfs/dbraw/zinc/66/33/30/950663330.db2.gz CEIYQRQDPSEKCF-IAQYHMDHSA-N 0 1 389.423 1.275 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccc2nc[nH]c21)Nc1ccncc1-c1nn[nH]n1 ZINC001574760533 950666781 /nfs/dbraw/zinc/66/67/81/950666781.db2.gz WPKSYTCGRCOWLM-LLVKDONJSA-N 0 1 377.412 1.133 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1=O ZINC001589744866 950672970 /nfs/dbraw/zinc/67/29/70/950672970.db2.gz IECIYGFMHKHROZ-JSGCOSHPSA-N 0 1 375.425 1.362 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccnn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574761071 950693544 /nfs/dbraw/zinc/69/35/44/950693544.db2.gz QKJOBKASSDOTMW-SSDOTTSWSA-N 0 1 381.853 1.283 20 0 GDADMN CC(C)n1cnc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001574761188 950697043 /nfs/dbraw/zinc/69/70/43/950697043.db2.gz SGEHWRSRWPMYMZ-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1cnc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001574761188 950697058 /nfs/dbraw/zinc/69/70/58/950697058.db2.gz SGEHWRSRWPMYMZ-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001573878073 950701126 /nfs/dbraw/zinc/70/11/26/950701126.db2.gz JQBBBZOIUZYCSJ-LKAFINOVSA-N 0 1 381.484 1.742 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC001575926381 950709903 /nfs/dbraw/zinc/70/99/03/950709903.db2.gz JQNWEDOMAKRPJN-CXAGYDPISA-N 0 1 392.467 1.465 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927486 950745346 /nfs/dbraw/zinc/74/53/46/950745346.db2.gz PTLIRXNFBPPMMJ-PSASIEDQSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575927710 950753145 /nfs/dbraw/zinc/75/31/45/950753145.db2.gz SLODXOHQCBSRTM-LRDDRELGSA-N 0 1 381.415 1.467 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC001575927729 950754734 /nfs/dbraw/zinc/75/47/34/950754734.db2.gz SYBVOHVKTODGTI-BLLLJJGKSA-N 0 1 388.435 1.880 20 0 GDADMN CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884047 950781625 /nfs/dbraw/zinc/78/16/25/950781625.db2.gz FANRYLIZGYOLBD-CYBMUJFWSA-N 0 1 392.467 1.963 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574765301 950781696 /nfs/dbraw/zinc/78/16/96/950781696.db2.gz HDEPOQASBIRKEA-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574765282 950783330 /nfs/dbraw/zinc/78/33/30/950783330.db2.gz HBTVULZIMVLOMC-SNVBAGLBSA-N 0 1 386.485 1.390 20 0 GDADMN C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574765282 950783345 /nfs/dbraw/zinc/78/33/45/950783345.db2.gz HBTVULZIMVLOMC-SNVBAGLBSA-N 0 1 386.485 1.390 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncccn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574766129 950806184 /nfs/dbraw/zinc/80/61/84/950806184.db2.gz KCZTTWBIOLIUKX-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN CC(C)C(C)(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001576220184 950826494 /nfs/dbraw/zinc/82/64/94/950826494.db2.gz VYQSTHFZAFYTOU-UONOGXRCSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)CC(C)(C)O ZINC001575932689 950831306 /nfs/dbraw/zinc/83/13/06/950831306.db2.gz LSEFWQXAUFCTEC-HTQZYQBOSA-N 0 1 385.881 1.539 20 0 GDADMN C[C@@H](CN(C)C(=O)c1n[nH]cc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574766899 950833928 /nfs/dbraw/zinc/83/39/28/950833928.db2.gz OASSLKYUHPZEDQ-VIFPVBQESA-N 0 1 376.371 1.118 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnns1 ZINC001574527541 950890398 /nfs/dbraw/zinc/89/03/98/950890398.db2.gz DBNQSQDBSVPNFK-DTWKUNHWSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnns1 ZINC001574527541 950890412 /nfs/dbraw/zinc/89/04/12/950890412.db2.gz DBNQSQDBSVPNFK-DTWKUNHWSA-N 0 1 378.487 1.466 20 0 GDADMN CC(C)CCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001574190597 950918334 /nfs/dbraw/zinc/91/83/34/950918334.db2.gz ZCYRBFQBUIBEPN-KUHUBIRLSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574528076 950924711 /nfs/dbraw/zinc/92/47/11/950924711.db2.gz KRWQMVJGRHBESX-NXEZZACHSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574528076 950924733 /nfs/dbraw/zinc/92/47/33/950924733.db2.gz KRWQMVJGRHBESX-NXEZZACHSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574528078 950925372 /nfs/dbraw/zinc/92/53/72/950925372.db2.gz KRWQMVJGRHBESX-VHSXEESVSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574528078 950925385 /nfs/dbraw/zinc/92/53/85/950925385.db2.gz KRWQMVJGRHBESX-VHSXEESVSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1nn(C)cc1Cl ZINC001574529557 950952207 /nfs/dbraw/zinc/95/22/07/950952207.db2.gz RCPGSSNZZXXLKP-UWVGGRQHSA-N 0 1 391.867 1.268 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001575643322 950966744 /nfs/dbraw/zinc/96/67/44/950966744.db2.gz LJSDMEAVEZCQDB-ZDUSSCGKSA-N 0 1 390.513 1.417 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001575643322 950966760 /nfs/dbraw/zinc/96/67/60/950966760.db2.gz LJSDMEAVEZCQDB-ZDUSSCGKSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575017283 950986480 /nfs/dbraw/zinc/98/64/80/950986480.db2.gz CNXVQUGHPGYIJL-JTQLQIEISA-N 0 1 388.382 1.421 20 0 GDADMN CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573899734 950987625 /nfs/dbraw/zinc/98/76/25/950987625.db2.gz JDHQYUIEMXWSJB-VIFPVBQESA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575017440 950996339 /nfs/dbraw/zinc/99/63/39/950996339.db2.gz GFWFJPSROABWFN-SNVBAGLBSA-N 0 1 388.382 1.849 20 0 GDADMN CC(C)c1cccc(C(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)n1 ZINC001575026697 951145760 /nfs/dbraw/zinc/14/57/60/951145760.db2.gz MCMIMNZPYZVLPI-CYBMUJFWSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(Cl)c1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575028353 951171864 /nfs/dbraw/zinc/17/18/64/951171864.db2.gz VRELTTPXMNYEQK-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN C[C@H](CNC(=O)c1ccccc1O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575028250 951172033 /nfs/dbraw/zinc/17/20/33/951172033.db2.gz MWQNSKGLPYPMCW-SSDOTTSWSA-N 0 1 379.833 1.913 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575035262 951270183 /nfs/dbraw/zinc/27/01/83/951270183.db2.gz VBDHHVLOFTVHCU-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575035262 951270195 /nfs/dbraw/zinc/27/01/95/951270195.db2.gz VBDHHVLOFTVHCU-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)[O-] ZINC000389849353 951361487 /nfs/dbraw/zinc/36/14/87/951361487.db2.gz UGVKYZDMQYQGIH-MSOLQXFVSA-N 0 1 377.485 1.934 20 0 GDADMN C[C@@H](CNC(=O)c1cnns1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575055589 951509331 /nfs/dbraw/zinc/50/93/31/951509331.db2.gz XWWHECRJLSKIKV-YFKPBYRVSA-N 0 1 385.866 1.083 20 0 GDADMN CC(C)c1nc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001575059247 951539727 /nfs/dbraw/zinc/53/97/27/951539727.db2.gz YCGNLTAZWRLJDB-JTQLQIEISA-N 0 1 387.473 1.137 20 0 GDADMN C[C@@H](CNC(=O)c1occc1Br)Nc1ccncc1-c1nn[nH]n1 ZINC001575065485 951586463 /nfs/dbraw/zinc/58/64/63/951586463.db2.gz HOSBIWYPGFTMRN-QMMMGPOBSA-N 0 1 392.217 1.270 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1F)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067372 951609790 /nfs/dbraw/zinc/60/97/90/951609790.db2.gz LGTSUQQUKYTIIO-NSHDSACASA-N 0 1 387.394 1.790 20 0 GDADMN C[C@@H](CNC(=O)c1ncccn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575067915 951625812 /nfs/dbraw/zinc/62/58/12/951625812.db2.gz RTHRTBBBBJULDW-ZETCQYMHSA-N 0 1 379.837 1.245 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)C1=O ZINC001595074196 951626636 /nfs/dbraw/zinc/62/66/36/951626636.db2.gz NKMKMOWSTQONII-JKSUJKDBSA-N 0 1 381.473 1.585 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)C1=O ZINC001595074196 951626642 /nfs/dbraw/zinc/62/66/42/951626642.db2.gz NKMKMOWSTQONII-JKSUJKDBSA-N 0 1 381.473 1.585 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575090948 951764897 /nfs/dbraw/zinc/76/48/97/951764897.db2.gz ONLJZTXLNSKOIH-KGLIPLIRSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCn1cccc1 ZINC001575091128 951769848 /nfs/dbraw/zinc/76/98/48/951769848.db2.gz PKZJTTKGLSPCDB-AWEZNQCLSA-N 0 1 385.447 1.834 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575091732 951781868 /nfs/dbraw/zinc/78/18/68/951781868.db2.gz XCRLMWBNJXUEPF-KZULUSFZSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](CNC(=O)C[C@@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099009 951827096 /nfs/dbraw/zinc/82/70/96/951827096.db2.gz HBFNPSSDBJQNIT-QWHCGFSZSA-N 0 1 388.501 1.618 20 0 GDADMN C[C@H](CNC(=O)C[C@@H](C)n1cccn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099009 951827100 /nfs/dbraw/zinc/82/71/00/951827100.db2.gz HBFNPSSDBJQNIT-QWHCGFSZSA-N 0 1 388.501 1.618 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C1CCC(O)CC1 ZINC001575099216 951829482 /nfs/dbraw/zinc/82/94/82/951829482.db2.gz ITJNUZPMXIQOAN-PNESKVBLSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C1CCC(O)CC1 ZINC001575099216 951829494 /nfs/dbraw/zinc/82/94/94/951829494.db2.gz ITJNUZPMXIQOAN-PNESKVBLSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099364 951831695 /nfs/dbraw/zinc/83/16/95/951831695.db2.gz KPQUCIHXVWFYPO-QWHCGFSZSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099364 951831711 /nfs/dbraw/zinc/83/17/11/951831711.db2.gz KPQUCIHXVWFYPO-QWHCGFSZSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001575099389 951835929 /nfs/dbraw/zinc/83/59/29/951835929.db2.gz LGHIPRGHBMFPHV-RKDXNWHRSA-N 0 1 376.408 1.969 20 0 GDADMN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001575099389 951835937 /nfs/dbraw/zinc/83/59/37/951835937.db2.gz LGHIPRGHBMFPHV-RKDXNWHRSA-N 0 1 376.408 1.969 20 0 GDADMN C[C@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099546 951836960 /nfs/dbraw/zinc/83/69/60/951836960.db2.gz MZFFKENCBHFMRI-JTQLQIEISA-N 0 1 375.433 1.618 20 0 GDADMN C[C@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099546 951836965 /nfs/dbraw/zinc/83/69/65/951836965.db2.gz MZFFKENCBHFMRI-JTQLQIEISA-N 0 1 375.433 1.618 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575099840 951839627 /nfs/dbraw/zinc/83/96/27/951839627.db2.gz PDQMMFBAXSFLDE-YVEFUNNKSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575099840 951839634 /nfs/dbraw/zinc/83/96/34/951839634.db2.gz PDQMMFBAXSFLDE-YVEFUNNKSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CNCc1ncc(Cl)s1)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575118220 951984305 /nfs/dbraw/zinc/98/43/05/951984305.db2.gz QYMBRHVQVHHAKM-QMMMGPOBSA-N 0 1 380.865 1.460 20 0 GDADMN C[C@H](CNCc1nccn1C(F)F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119303 951987012 /nfs/dbraw/zinc/98/70/12/951987012.db2.gz WSKVXSBAHCFVDF-SECBINFHSA-N 0 1 379.375 1.037 20 0 GDADMN O=C([O-])CS(=O)(=O)CC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001595123524 951987782 /nfs/dbraw/zinc/98/77/82/951987782.db2.gz GOZMFBZXEANMMB-CYBMUJFWSA-N 0 1 390.299 1.813 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C12CCC(CC1)C2(C)C ZINC001575141565 952145665 /nfs/dbraw/zinc/14/56/65/952145665.db2.gz IEPUIJSEZCNQOA-BYKITBGFSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575142697 952147572 /nfs/dbraw/zinc/14/75/72/952147572.db2.gz KWCLMSYURPHVBZ-LLVKDONJSA-N 0 1 386.847 1.234 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC1(c2ccccc2)CC1 ZINC001575143352 952151472 /nfs/dbraw/zinc/15/14/72/952151472.db2.gz ORLQAFWFXMABEF-AWEZNQCLSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575143612 952154469 /nfs/dbraw/zinc/15/44/69/952154469.db2.gz BMLLTOLRMWBHMD-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575144805 952172136 /nfs/dbraw/zinc/17/21/36/952172136.db2.gz LUXMRMNVXXSGOP-INIZCTEOSA-N 0 1 388.819 1.336 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575145657 952188153 /nfs/dbraw/zinc/18/81/53/952188153.db2.gz CHFINQLYPDZTPU-UONOGXRCSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575166198 952321835 /nfs/dbraw/zinc/32/18/35/952321835.db2.gz SVFHKRXZJPLNQR-RMLUDKJBSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575166691 952325259 /nfs/dbraw/zinc/32/52/59/952325259.db2.gz XJNZYNGICKVSOE-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575166691 952325277 /nfs/dbraw/zinc/32/52/77/952325277.db2.gz XJNZYNGICKVSOE-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575166691 952325283 /nfs/dbraw/zinc/32/52/83/952325283.db2.gz XJNZYNGICKVSOE-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575166689 952326728 /nfs/dbraw/zinc/32/67/28/952326728.db2.gz XJNZYNGICKVSOE-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575166689 952326752 /nfs/dbraw/zinc/32/67/52/952326752.db2.gz XJNZYNGICKVSOE-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575166689 952326756 /nfs/dbraw/zinc/32/67/56/952326756.db2.gz XJNZYNGICKVSOE-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN O=C([C@H]1CC1(F)F)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571115027 952462542 /nfs/dbraw/zinc/46/25/42/952462542.db2.gz QHWXKDNKDDKRFA-WBMJQRKESA-N 0 1 375.383 1.346 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccc2c(c1)CCC2 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ALGUTBBROCYJAG-SNVBAGLBSA-N 0 1 375.483 1.318 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200199 952492262 /nfs/dbraw/zinc/49/22/62/952492262.db2.gz ACDCFBXWUPPPQV-TZMCWYRMSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575200048 952492996 /nfs/dbraw/zinc/49/29/96/952492996.db2.gz HAVKWVMXCDOWET-SRVKXCTJSA-N 0 1 384.419 1.667 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001575200651 952496550 /nfs/dbraw/zinc/49/65/50/952496550.db2.gz DWGZHJVNHJMHRR-SWLSCSKDSA-N 0 1 381.444 1.267 20 0 GDADMN O=C(C1CC(F)(F)C1)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571120017 952497123 /nfs/dbraw/zinc/49/71/23/952497123.db2.gz ICUTYPXKYRRVGB-UHFFFAOYSA-N 0 1 376.411 1.946 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC(F)(F)C1 ZINC001571120399 952501597 /nfs/dbraw/zinc/50/15/97/952501597.db2.gz MLRLLLIUPQMOIT-GJZGRUSLSA-N 0 1 376.411 1.993 20 0 GDADMN 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952560877 /nfs/dbraw/zinc/56/08/77/952560877.db2.gz LJWXPRIIEFULJX-XHNCKOQMSA-N 0 1 377.861 1.566 20 0 GDADMN CCc1cccc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571128479 952567437 /nfs/dbraw/zinc/56/74/37/952567437.db2.gz UMFHIEYHRLMKBZ-UHFFFAOYSA-N 0 1 377.452 1.686 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC001571128711 952570230 /nfs/dbraw/zinc/57/02/30/952570230.db2.gz WWMRNDWCBMBLTA-JTQLQIEISA-N 0 1 377.474 1.103 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC001571128711 952570234 /nfs/dbraw/zinc/57/02/34/952570234.db2.gz WWMRNDWCBMBLTA-JTQLQIEISA-N 0 1 377.474 1.103 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC001571128711 952570239 /nfs/dbraw/zinc/57/02/39/952570239.db2.gz WWMRNDWCBMBLTA-JTQLQIEISA-N 0 1 377.474 1.103 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1NC(=O)[C@H]1CCC1(F)F ZINC001571129500 952575562 /nfs/dbraw/zinc/57/55/62/952575562.db2.gz FEPLXNCBWUXMLY-ZJUUUORDSA-N 0 1 378.387 1.033 20 0 GDADMN O=C(C[C@@H]1CCC(F)(F)C1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571130531 952581054 /nfs/dbraw/zinc/58/10/54/952581054.db2.gz SKACDAZWOLVKNY-WDEREUQCSA-N 0 1 378.387 1.177 20 0 GDADMN Cc1ccc(C(=O)N(C)C2CCN(c3ccncc3-c3nn[nH]n3)CC2)cn1 ZINC001571134107 952585751 /nfs/dbraw/zinc/58/57/51/952585751.db2.gz DSFHGLQIDVAWPY-UHFFFAOYSA-N 0 1 378.440 1.706 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)c1 ZINC001571134809 952595265 /nfs/dbraw/zinc/59/52/65/952595265.db2.gz NDJKRCJKEXOSAI-UKRRQHHQSA-N 0 1 378.440 1.350 20 0 GDADMN Cc1cc(N2CC[C@@H](N(C)C(=O)Cc3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135552 952605874 /nfs/dbraw/zinc/60/58/74/952605874.db2.gz WJTSJMRSWSXNHH-OAHLLOKOSA-N 0 1 378.440 1.245 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cncnc2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135571 952605948 /nfs/dbraw/zinc/60/59/48/952605948.db2.gz XFMILKGEMUIUNJ-GUYCJALGSA-N 0 1 378.440 1.440 20 0 GDADMN Cc1ncncc1C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571140520 952626825 /nfs/dbraw/zinc/62/68/25/952626825.db2.gz BUPAIABQQVXQOG-INIZCTEOSA-N 0 1 378.440 1.360 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571141240 952631844 /nfs/dbraw/zinc/63/18/44/952631844.db2.gz IXVFUFPOZYAORE-BFHYXJOUSA-N 0 1 379.424 1.402 20 0 GDADMN O=C(c1ccc[nH]1)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571147456 952661673 /nfs/dbraw/zinc/66/16/73/952661673.db2.gz YWXDVELONQCOOG-SFHVURJKSA-N 0 1 379.428 1.118 20 0 GDADMN CC1(C)CN(c2ccncc2-c2nn[nH]n2)CC[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001571166348 952760543 /nfs/dbraw/zinc/76/05/43/952760543.db2.gz LSNQSPCMFKYVGI-MRXNPFEDSA-N 0 1 380.456 1.554 20 0 GDADMN O=C(N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@]1(F)CCOC1 ZINC001571166518 952762191 /nfs/dbraw/zinc/76/21/91/952762191.db2.gz MQLLKODUYPWFRS-BZNIZROVSA-N 0 1 380.449 1.137 20 0 GDADMN O=C(N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@]1(F)CCOC1 ZINC001571166518 952762194 /nfs/dbraw/zinc/76/21/94/952762194.db2.gz MQLLKODUYPWFRS-BZNIZROVSA-N 0 1 380.449 1.137 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001571166776 952765086 /nfs/dbraw/zinc/76/50/86/952765086.db2.gz PZMMDMOYWIXBOT-SUMWQHHRSA-N 0 1 380.456 1.094 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571167120 952770493 /nfs/dbraw/zinc/77/04/93/952770493.db2.gz VZHZAEUGVDUACX-OAHLLOKOSA-N 0 1 380.456 1.648 20 0 GDADMN Cc1cc[nH]c1C(=O)N(C)C1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571170508 952786609 /nfs/dbraw/zinc/78/66/09/952786609.db2.gz VPAJAQIFGNMSRE-UHFFFAOYSA-N 0 1 380.456 1.948 20 0 GDADMN Cc1ccn(C)c1C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571170889 952789296 /nfs/dbraw/zinc/78/92/96/952789296.db2.gz YRIADUSGSQSRQP-AWEZNQCLSA-N 0 1 380.456 1.356 20 0 GDADMN C[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cocn1 ZINC001571172195 952802466 /nfs/dbraw/zinc/80/24/66/952802466.db2.gz OXQVIYPMUHAEFQ-NKWVEPMBSA-N 0 1 380.821 1.680 20 0 GDADMN C[C@]1(NC(=O)c2cccnc2)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571178236 952837632 /nfs/dbraw/zinc/83/76/32/952837632.db2.gz CDIVQVDZRRKQQD-IBGZPJMESA-N 0 1 381.415 1.795 20 0 GDADMN CN(C(=O)c1ccc(F)cn1)[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571178562 952843529 /nfs/dbraw/zinc/84/35/29/952843529.db2.gz NBSMWVXNTSUANS-INIZCTEOSA-N 0 1 381.415 1.747 20 0 GDADMN Cc1cccc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571179545 952853448 /nfs/dbraw/zinc/85/34/48/952853448.db2.gz FPDPKTWLMOYYBJ-JCURWCKSSA-N 0 1 381.440 1.039 20 0 GDADMN O=C(Cc1ccoc1)N1CCC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571180504 952860377 /nfs/dbraw/zinc/86/03/77/952860377.db2.gz QIAKFWYYZCJVIQ-CQSZACIVSA-N 0 1 381.440 1.560 20 0 GDADMN Cc1ccc([C@@H](C)C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571180475 952860399 /nfs/dbraw/zinc/86/03/99/952860399.db2.gz OYPFDGRIPNVEDU-KGLIPLIRSA-N 0 1 381.440 1.970 20 0 GDADMN O=C(N[C@H]1CCN([C@@H]2CCc3c2cccc3F)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571183387 952877194 /nfs/dbraw/zinc/87/71/94/952877194.db2.gz ZBWIGOWZEMCNEG-YVEFUNNKSA-N 0 1 381.415 1.826 20 0 GDADMN C[C@H](c1cnccn1)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571183527 952880197 /nfs/dbraw/zinc/88/01/97/952880197.db2.gz CSYYBVDCQNIGPV-OCCSQVGLSA-N 0 1 381.444 1.282 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571183756 952882344 /nfs/dbraw/zinc/88/23/44/952882344.db2.gz IWBJPKSXOKPHJU-OLZOCXBDSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@H](NCC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)c1ncccn1 ZINC001571183981 952885768 /nfs/dbraw/zinc/88/57/68/952885768.db2.gz OBTXJMFWIAJKBO-LBPRGKRZSA-N 0 1 381.444 1.188 20 0 GDADMN CCn1ccc(C(=O)N2CCCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001571184610 952895000 /nfs/dbraw/zinc/89/50/00/952895000.db2.gz BANQMFRFLKUKGH-CYBMUJFWSA-N 0 1 381.444 1.007 20 0 GDADMN Cc1cnc(CN[C@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1 ZINC001571188151 952912325 /nfs/dbraw/zinc/91/23/25/952912325.db2.gz GUMZRMXOZHDNDX-UONOGXRCSA-N 0 1 381.444 1.124 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3ccnn3C)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188681 952917946 /nfs/dbraw/zinc/91/79/46/952917946.db2.gz MNJTYBHKPDPGHH-TZMCWYRMSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1cc(N(C)C[C@H]2CCCN2C(=O)c2ccnn2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188640 952918059 /nfs/dbraw/zinc/91/80/59/952918059.db2.gz MHXAUJHFTFVEDK-CYBMUJFWSA-N 0 1 381.444 1.045 20 0 GDADMN Cc1c(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)cnn1C ZINC001571189091 952923945 /nfs/dbraw/zinc/92/39/45/952923945.db2.gz RUAUIMAVIHQFRP-CYBMUJFWSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571190109 952939972 /nfs/dbraw/zinc/93/99/72/952939972.db2.gz FMOQDKWLHNFMEC-UWWPHRKUSA-N 0 1 381.484 1.947 20 0 GDADMN CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571191080 952943942 /nfs/dbraw/zinc/94/39/42/952943942.db2.gz NQEZGALDQCBUON-KZZUOICLSA-N 0 1 381.484 1.885 20 0 GDADMN C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571190793 952944392 /nfs/dbraw/zinc/94/43/92/952944392.db2.gz LZHPLZSKZVTRFJ-ZOZBEKFXSA-N 0 1 381.484 1.983 20 0 GDADMN Cc1nccc(C(=O)N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571195720 952979102 /nfs/dbraw/zinc/97/91/02/952979102.db2.gz FHEATUSEBMHXPZ-AWEZNQCLSA-N 0 1 382.403 1.109 20 0 GDADMN Cc1cc(N2CCC[C@@H]2CNC(=O)c2ccncc2F)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196737 952982819 /nfs/dbraw/zinc/98/28/19/952982819.db2.gz NBCRMDWPIABYMO-GFCCVEGCSA-N 0 1 382.403 1.503 20 0 GDADMN Cc1c(F)cccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571196716 952983697 /nfs/dbraw/zinc/98/36/97/952983697.db2.gz MRQNNPWCWSDUSN-SMDDNHRTSA-N 0 1 382.403 1.241 20 0 GDADMN CCc1nc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c(C)o1 ZINC001571199287 952999551 /nfs/dbraw/zinc/99/95/51/952999551.db2.gz OZHBXIZSWYUTGP-LBPRGKRZSA-N 0 1 382.428 1.438 20 0 GDADMN CCc1oncc1C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571199712 953004195 /nfs/dbraw/zinc/00/41/95/953004195.db2.gz ZWKQDAVJWOEALS-UHFFFAOYSA-N 0 1 382.428 1.459 20 0 GDADMN Cc1ncc(CC(=O)N2CC[C@@H](N(C)c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571200517 953009836 /nfs/dbraw/zinc/00/98/36/953009836.db2.gz CTGFWLOGLKHFFW-CYBMUJFWSA-N 0 1 382.428 1.146 20 0 GDADMN CC[C@@H]1CN(C(=O)c2oncc2C)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571200723 953011195 /nfs/dbraw/zinc/01/11/95/953011195.db2.gz KPOAEDWMWPHDIC-OCCSQVGLSA-N 0 1 382.428 1.333 20 0 GDADMN C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571201994 953021579 /nfs/dbraw/zinc/02/15/79/953021579.db2.gz UGTYYNQOGQFLFJ-SUNKGSAMSA-N 0 1 382.428 1.391 20 0 GDADMN Cc1cc(NC2(C)CCN(C(=O)Cc3ccon3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202152 953023212 /nfs/dbraw/zinc/02/32/12/953023212.db2.gz REXWIVYIYBABFG-UHFFFAOYSA-N 0 1 382.428 1.016 20 0 GDADMN COc1ccc(CN2CC[C@@H]3CN(C(=O)CC4CC4)[C@@H]3C2)cc1-c1nn[nH]n1 ZINC001571209831 953067729 /nfs/dbraw/zinc/06/77/29/953067729.db2.gz GCKSSHXQYZRLPD-NVXWUHKLSA-N 0 1 382.468 1.708 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC2(CC2)C1 ZINC001571210363 953071690 /nfs/dbraw/zinc/07/16/90/953071690.db2.gz PSQOXKLPEBASFM-QLPKVWCKSA-N 0 1 382.443 1.742 20 0 GDADMN C[C@@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211524 953077899 /nfs/dbraw/zinc/07/78/99/953077899.db2.gz AMGYPOPIIPKAOH-OLZOCXBDSA-N 0 1 382.472 1.568 20 0 GDADMN Cc1nc(NC[C@@H]2CCCC[C@@H]2NC(=O)c2cnn[nH]2)ccc1-c1nn[nH]n1 ZINC001571212309 953087149 /nfs/dbraw/zinc/08/71/49/953087149.db2.gz LKKAOTNOHWMBCW-AAEUAGOBSA-N 0 1 382.432 1.089 20 0 GDADMN C[C@]1(NC(=O)C2CCC3(CC3)CC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571212569 953088918 /nfs/dbraw/zinc/08/89/18/953088918.db2.gz NEVDWTAZRGWENM-SFHVURJKSA-N 0 1 382.472 1.712 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212501 953089805 /nfs/dbraw/zinc/08/98/05/953089805.db2.gz MORXWNPABFAEQJ-OLZOCXBDSA-N 0 1 382.472 1.165 20 0 GDADMN C[C@H](NC(=O)[C@H]1CC12CCC2)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571213637 953096675 /nfs/dbraw/zinc/09/66/75/953096675.db2.gz SMBKTWXLOJLEOZ-GXTWGEPZSA-N 0 1 382.472 1.568 20 0 GDADMN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571217960 953112065 /nfs/dbraw/zinc/11/20/65/953112065.db2.gz JJNZCACPJFEZSU-YJNKXOJESA-N 0 1 382.472 1.308 20 0 GDADMN O=C(NC[C@@H]1CCN1CCCc1cccc(F)c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571229842 953172811 /nfs/dbraw/zinc/17/28/11/953172811.db2.gz PDEIFTJPUSASRB-INIZCTEOSA-N 0 1 383.431 1.771 20 0 GDADMN CC[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)O1 ZINC001571231125 953183262 /nfs/dbraw/zinc/18/32/62/953183262.db2.gz SZGCJVCYFKOJCN-IMNPFHOJSA-N 0 1 383.456 1.079 20 0 GDADMN Cc1c[nH]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571233679 953194261 /nfs/dbraw/zinc/19/42/61/953194261.db2.gz AGKDXFFGYRWNAL-BETUJISGSA-N 0 1 383.481 1.769 20 0 GDADMN Cc1c[nH]cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571233679 953194265 /nfs/dbraw/zinc/19/42/65/953194265.db2.gz AGKDXFFGYRWNAL-BETUJISGSA-N 0 1 383.481 1.769 20 0 GDADMN Cc1c[nH]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001571233679 953194266 /nfs/dbraw/zinc/19/42/66/953194266.db2.gz AGKDXFFGYRWNAL-BETUJISGSA-N 0 1 383.481 1.769 20 0 GDADMN Cc1c[nH]cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001571233679 953194268 /nfs/dbraw/zinc/19/42/68/953194268.db2.gz AGKDXFFGYRWNAL-BETUJISGSA-N 0 1 383.481 1.769 20 0 GDADMN O=C(Cc1cccs1)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571234432 953202227 /nfs/dbraw/zinc/20/22/27/953202227.db2.gz XKDKEXLSDNBMTP-ZDUSSCGKSA-N 0 1 383.481 1.638 20 0 GDADMN CCc1ccnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571234501 953202897 /nfs/dbraw/zinc/20/28/97/953202897.db2.gz ZXCMKDNFCHVIEL-ZDUSSCGKSA-N 0 1 383.481 1.890 20 0 GDADMN CCc1ccnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571234501 953202900 /nfs/dbraw/zinc/20/29/00/953202900.db2.gz ZXCMKDNFCHVIEL-ZDUSSCGKSA-N 0 1 383.481 1.890 20 0 GDADMN O=C([C@H]1CCOC1)N1CC[C@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234550 953203033 /nfs/dbraw/zinc/20/30/33/953203033.db2.gz BKEJCXGSYIOEBG-BDAKNGLRSA-N 0 1 383.865 1.274 20 0 GDADMN C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571234567 953203596 /nfs/dbraw/zinc/20/35/96/953203596.db2.gz BWKLIJWQGJWSES-IWSPIJDZSA-N 0 1 383.865 1.414 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571234566 953203648 /nfs/dbraw/zinc/20/36/48/953203648.db2.gz BWKLIJWQGJWSES-HLTSFMKQSA-N 0 1 383.865 1.414 20 0 GDADMN O=C(CCc1ccco1)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571239718 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GDADMN CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])cc2)CC1 ZINC000739454856 603022935 /nfs/dbraw/zinc/02/29/35/603022935.db2.gz CDRQCACJLAPPRL-MOPGFXCFSA-N 0 1 388.512 1.877 20 0 GDADMN CC(C)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[O-] ZINC000738913875 603025831 /nfs/dbraw/zinc/02/58/31/603025831.db2.gz XWCGAZUHMKJVSU-HZPDHXFCSA-N 0 1 392.504 1.184 20 0 GDADMN C[N@H+](CCCCc1ccccc1)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739669018 603045948 /nfs/dbraw/zinc/04/59/48/603045948.db2.gz MMPAPWGFPJQYPK-UHFFFAOYSA-N 0 1 388.468 1.963 20 0 GDADMN C[N@@H+](CCCCc1ccccc1)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739669018 603045950 /nfs/dbraw/zinc/04/59/50/603045950.db2.gz MMPAPWGFPJQYPK-UHFFFAOYSA-N 0 1 388.468 1.963 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000739131492 603053577 /nfs/dbraw/zinc/05/35/77/603053577.db2.gz YYFLOLCVHKWBKU-VDHUWJSZSA-N 0 1 375.469 1.689 20 0 GDADMN 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O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000823607219 606844428 /nfs/dbraw/zinc/84/44/28/606844428.db2.gz RQZICZQSGROYBN-AWEZNQCLSA-N 0 1 394.476 1.645 20 0 GDADMN CCC[C@@](C)(NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)OC ZINC000821007866 606884865 /nfs/dbraw/zinc/88/48/65/606884865.db2.gz CZJDEGMLTIDJRS-CQSZACIVSA-N 0 1 389.384 1.155 20 0 GDADMN CCn1nc(C)c(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1C ZINC000821568276 606890477 /nfs/dbraw/zinc/89/04/77/606890477.db2.gz ORCLSFHXOJEZDS-UHFFFAOYSA-N 0 1 397.411 1.457 20 0 GDADMN CS[C@@H]1CC[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821948190 606894053 /nfs/dbraw/zinc/89/40/53/606894053.db2.gz ATILCZUIUNRZTE-DTWKUNHWSA-N 0 1 375.426 1.707 20 0 GDADMN CCSCC[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821462323 606894408 /nfs/dbraw/zinc/89/44/08/606894408.db2.gz ZYIAIUINCGAZOC-MRVPVSSYSA-N 0 1 377.442 1.955 20 0 GDADMN CCO[C@H]1C[C@H](N(C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821357759 606916995 /nfs/dbraw/zinc/91/69/95/606916995.db2.gz FLTUGNHFOUVEFL-IRXDYDNUSA-N 0 1 384.484 1.762 20 0 GDADMN CC(C)CN1CCO[C@H](CNC(=O)CSc2cccc(-c3nn[nH]n3)c2)C1 ZINC000820092483 607009978 /nfs/dbraw/zinc/00/99/78/607009978.db2.gz MQCLCMPMBJQSHF-OAHLLOKOSA-N 0 1 390.513 1.432 20 0 GDADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000820716592 607097973 /nfs/dbraw/zinc/09/79/73/607097973.db2.gz JVGHRPNBOKTWGY-CPUCHLNUSA-N 0 1 380.456 1.973 20 0 GDADMN O=C([C@@H]1CC12CCC2)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000822916946 607115266 /nfs/dbraw/zinc/11/52/66/607115266.db2.gz JJXYFMUBUUBKIY-LBPRGKRZSA-N 0 1 395.423 1.954 20 0 GDADMN COCn1nccc1S(=O)(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000530374728 649970952 /nfs/dbraw/zinc/97/09/52/649970952.db2.gz AVGXTGHTJNDWNV-BBRMVZONSA-N 0 1 384.527 1.910 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Oc1ccc(NC(=O)c2ccsc2)cc1 ZINC000823136026 607157215 /nfs/dbraw/zinc/15/72/15/607157215.db2.gz GMWMWWDMOQUPPR-UHFFFAOYSA-N 0 1 396.392 1.378 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000821701618 607167323 /nfs/dbraw/zinc/16/73/23/607167323.db2.gz WENHCQSJCOXZSF-LBPRGKRZSA-N 0 1 399.455 1.813 20 0 GDADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc2ccccc2n1C(F)F ZINC000820333813 607205913 /nfs/dbraw/zinc/20/59/13/607205913.db2.gz GSNRLWCKBATPQB-QMMMGPOBSA-N 0 1 388.342 1.080 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000823136348 607209731 /nfs/dbraw/zinc/20/97/31/607209731.db2.gz XFLUSCDRPXZEGG-UHFFFAOYSA-N 0 1 387.835 1.741 20 0 GDADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822423852 607210376 /nfs/dbraw/zinc/21/03/76/607210376.db2.gz PUKWEXBNWIUOLY-SNVBAGLBSA-N 0 1 395.452 1.768 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCc2cc(Br)ccc21 ZINC000823127188 607210460 /nfs/dbraw/zinc/21/04/60/607210460.db2.gz WBOUNFYAYHFQFC-NSHDSACASA-N 0 1 389.217 1.024 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1nc2cc(Cl)ccc2s1 ZINC000823131620 607211793 /nfs/dbraw/zinc/21/17/93/607211793.db2.gz KGNMLRPDUPYCKJ-UHFFFAOYSA-N 0 1 375.805 1.038 20 0 GDADMN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821596690 607212207 /nfs/dbraw/zinc/21/22/07/607212207.db2.gz RMYNPXBXHLGJBY-ZBFHGGJFSA-N 0 1 382.428 1.085 20 0 GDADMN COc1ccc2oc([C@@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c(C)c2c1 ZINC000821854429 607215155 /nfs/dbraw/zinc/21/51/55/607215155.db2.gz JJRQPSXVXVFUON-SNVBAGLBSA-N 0 1 382.384 1.399 20 0 GDADMN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000819949911 607217130 /nfs/dbraw/zinc/21/71/30/607217130.db2.gz BUZMKNYYNSZQPM-MHZLTWQESA-N 0 1 388.457 1.144 20 0 GDADMN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821678238 607218083 /nfs/dbraw/zinc/21/80/83/607218083.db2.gz LNDXBMPTTNOQKP-RNCFNFMXSA-N 0 1 376.808 1.004 20 0 GDADMN CCCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000821083254 607218715 /nfs/dbraw/zinc/21/87/15/607218715.db2.gz WLPMNYZMMWSLDE-KBPBESRZSA-N 0 1 388.476 1.435 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823125702 607220721 /nfs/dbraw/zinc/22/07/21/607220721.db2.gz BHXQQCXJWBBIGW-UHFFFAOYSA-N 0 1 390.382 1.854 20 0 GDADMN COc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OC2CCCC2)c1 ZINC000821798652 607221569 /nfs/dbraw/zinc/22/15/69/607221569.db2.gz INJWFTRWVRASQO-UHFFFAOYSA-N 0 1 398.427 1.105 20 0 GDADMN CCN1CCCC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000821268096 607230380 /nfs/dbraw/zinc/23/03/80/607230380.db2.gz SMDHLGOHWVBOFD-INIZCTEOSA-N 0 1 380.456 1.747 20 0 GDADMN CN(C)[C@H](CNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000825849740 607814549 /nfs/dbraw/zinc/81/45/49/607814549.db2.gz MCRLJMMTECWWOF-OAHLLOKOSA-N 0 1 390.469 1.126 20 0 GDADMN Cc1ccccc1OCCNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826307708 607815758 /nfs/dbraw/zinc/81/57/58/607815758.db2.gz TULNTGOFIVFFDD-UHFFFAOYSA-N 0 1 387.465 1.617 20 0 GDADMN CCN(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN1CC ZINC000825424957 607816174 /nfs/dbraw/zinc/81/61/74/607816174.db2.gz VCQQQOTZELVNSN-INIZCTEOSA-N 0 1 392.529 1.447 20 0 GDADMN CN(CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@H]1CCC[C@H]1O ZINC000825892139 607859643 /nfs/dbraw/zinc/85/96/43/607859643.db2.gz GYPFRZNPCYCYST-CZUORRHYSA-N 0 1 396.455 1.084 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2c(C)noc2Cl)c1-c1nnn[n-]1 ZINC000826077412 608019768 /nfs/dbraw/zinc/01/97/68/608019768.db2.gz HJEICOHEJFJUIY-UHFFFAOYSA-N 0 1 393.839 1.263 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2c(C)noc2Cl)c1-c1nn[n-]n1 ZINC000826077412 608019769 /nfs/dbraw/zinc/01/97/69/608019769.db2.gz HJEICOHEJFJUIY-UHFFFAOYSA-N 0 1 393.839 1.263 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826083008 608020076 /nfs/dbraw/zinc/02/00/76/608020076.db2.gz DYFAQIKMUKGFAT-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826083008 608020077 /nfs/dbraw/zinc/02/00/77/608020077.db2.gz DYFAQIKMUKGFAT-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN CC[C@@H](Cc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825127615 608020700 /nfs/dbraw/zinc/02/07/00/608020700.db2.gz OHPQAVQRFASGEM-AWEZNQCLSA-N 0 1 382.472 1.949 20 0 GDADMN CC[C@@H](Cc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825127615 608020701 /nfs/dbraw/zinc/02/07/01/608020701.db2.gz OHPQAVQRFASGEM-AWEZNQCLSA-N 0 1 382.472 1.949 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2ccccn2)c1-c1nnn[n-]1 ZINC000826077889 608021650 /nfs/dbraw/zinc/02/16/50/608021650.db2.gz YVIXIGMFBKMSCZ-UHFFFAOYSA-N 0 1 387.473 1.009 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2ccccn2)c1-c1nn[n-]n1 ZINC000826077889 608021651 /nfs/dbraw/zinc/02/16/51/608021651.db2.gz YVIXIGMFBKMSCZ-UHFFFAOYSA-N 0 1 387.473 1.009 20 0 GDADMN CC(C)c1cc(Br)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000824341834 608031783 /nfs/dbraw/zinc/03/17/83/608031783.db2.gz FQZPVYVMNAADRN-UHFFFAOYSA-N 0 1 391.233 1.983 20 0 GDADMN Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826264524 608035169 /nfs/dbraw/zinc/03/51/69/608035169.db2.gz RELYICYEOSZQNV-ZDUSSCGKSA-N 0 1 397.487 1.680 20 0 GDADMN Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826264524 608035170 /nfs/dbraw/zinc/03/51/70/608035170.db2.gz RELYICYEOSZQNV-ZDUSSCGKSA-N 0 1 397.487 1.680 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc2ccccc2c1 ZINC000825934669 608035571 /nfs/dbraw/zinc/03/55/71/608035571.db2.gz PQCDGQSYEBYDPT-KRWDZBQOSA-N 0 1 392.467 1.923 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc2ccccc2c1 ZINC000825934669 608035572 /nfs/dbraw/zinc/03/55/72/608035572.db2.gz PQCDGQSYEBYDPT-KRWDZBQOSA-N 0 1 392.467 1.923 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc2ccccc2c1 ZINC000825934669 608035573 /nfs/dbraw/zinc/03/55/73/608035573.db2.gz PQCDGQSYEBYDPT-KRWDZBQOSA-N 0 1 392.467 1.923 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc2ccccc2c1 ZINC000825934669 608035574 /nfs/dbraw/zinc/03/55/74/608035574.db2.gz PQCDGQSYEBYDPT-KRWDZBQOSA-N 0 1 392.467 1.923 20 0 GDADMN CC(C)OC(=O)c1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824309473 608036530 /nfs/dbraw/zinc/03/65/30/608036530.db2.gz PZYPNPRGWKKHEK-UHFFFAOYSA-N 0 1 398.471 1.802 20 0 GDADMN CC(C)OC(=O)c1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824309473 608036531 /nfs/dbraw/zinc/03/65/31/608036531.db2.gz PZYPNPRGWKKHEK-UHFFFAOYSA-N 0 1 398.471 1.802 20 0 GDADMN CC(C)OC(=O)c1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824309473 608036532 /nfs/dbraw/zinc/03/65/32/608036532.db2.gz PZYPNPRGWKKHEK-UHFFFAOYSA-N 0 1 398.471 1.802 20 0 GDADMN CC(C)OC(=O)c1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824309473 608036533 /nfs/dbraw/zinc/03/65/33/608036533.db2.gz PZYPNPRGWKKHEK-UHFFFAOYSA-N 0 1 398.471 1.802 20 0 GDADMN C[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824899331 608042922 /nfs/dbraw/zinc/04/29/22/608042922.db2.gz JFVDYJDKHWGKBC-VXGBXAGGSA-N 0 1 390.513 1.981 20 0 GDADMN C[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824899331 608042923 /nfs/dbraw/zinc/04/29/23/608042923.db2.gz JFVDYJDKHWGKBC-VXGBXAGGSA-N 0 1 390.513 1.981 20 0 GDADMN O=C(c1cccc2c[nH]nc21)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826474661 608083103 /nfs/dbraw/zinc/08/31/03/608083103.db2.gz ZFLKDYNLFKXBHN-MRXNPFEDSA-N 0 1 375.392 1.957 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000824359588 608097703 /nfs/dbraw/zinc/09/77/03/608097703.db2.gz XHHVQVUJZALKTF-JTQLQIEISA-N 0 1 376.446 1.289 20 0 GDADMN Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1-c1nn[nH]n1 ZINC000826298642 608107788 /nfs/dbraw/zinc/10/77/88/608107788.db2.gz BKLLJPAMNNHWHI-JTQLQIEISA-N 0 1 383.416 1.233 20 0 GDADMN CC(C)OCCCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000824309181 608146056 /nfs/dbraw/zinc/14/60/56/608146056.db2.gz IAKONXVOZXNUHD-UHFFFAOYSA-N 0 1 389.460 1.586 20 0 GDADMN C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824994187 608150994 /nfs/dbraw/zinc/15/09/94/608150994.db2.gz UCCQYMSJSXXYOK-BEFAXECRSA-N 0 1 392.511 1.877 20 0 GDADMN CN(C)C1CN(C(=O)c2ccc(OCc3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000825855520 608209729 /nfs/dbraw/zinc/20/97/29/608209729.db2.gz GVMIUSOQHSUANR-UHFFFAOYSA-N 0 1 378.436 1.832 20 0 GDADMN CCN(CC)[C@@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)c1ccco1 ZINC000825406385 608221987 /nfs/dbraw/zinc/22/19/87/608221987.db2.gz MJBRZWHWCRDSLB-AWEZNQCLSA-N 0 1 384.444 1.466 20 0 GDADMN Nc1nc(-n2cccn2)cc(N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826396357 608236945 /nfs/dbraw/zinc/23/69/45/608236945.db2.gz UEAVODOKWJWRKA-UHFFFAOYSA-N 0 1 386.423 1.718 20 0 GDADMN CC(C)[C@H]1C[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO1 ZINC000824217077 608249125 /nfs/dbraw/zinc/24/91/25/608249125.db2.gz XYRVAFBXBOWRQD-ZWNOBZJWSA-N 0 1 387.412 1.627 20 0 GDADMN CCC[C@@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)CCN1CCOC ZINC000825251837 608306343 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GDADMN CC[C@H](OC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571299739 946258385 /nfs/dbraw/zinc/25/83/85/946258385.db2.gz OZWFNEJKENJFAC-KSSFIOAISA-N 0 1 390.513 1.778 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1nc(-c2nn[nH]n2)c(Cl)s1)c1cccnc1 ZINC001571300213 946273812 /nfs/dbraw/zinc/27/38/12/946273812.db2.gz XBTOJAFGCZFFRB-JTQLQIEISA-N 0 1 390.860 1.770 20 0 GDADMN O=C(C[C@@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571300178 946276466 /nfs/dbraw/zinc/27/64/66/946276466.db2.gz WIXLLGCVMISWTA-KBPBESRZSA-N 0 1 390.513 1.683 20 0 GDADMN O=C(C[C@@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571300178 946276472 /nfs/dbraw/zinc/27/64/72/946276472.db2.gz WIXLLGCVMISWTA-KBPBESRZSA-N 0 1 390.513 1.683 20 0 GDADMN CN(C(=O)c1ccncn1)[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571306371 946398012 /nfs/dbraw/zinc/39/80/12/946398012.db2.gz ULBAZAAVOTYQMJ-MRVPVSSYSA-N 0 1 391.848 1.118 20 0 GDADMN O=C([C@@H]1CCC(F)(F)C1)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571309367 946443125 /nfs/dbraw/zinc/44/31/25/946443125.db2.gz YKDXPOQYKWXCFX-NEPJUHHUSA-N 0 1 392.414 1.307 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc2c(c1)COC2 ZINC001571309588 946449128 /nfs/dbraw/zinc/44/91/28/946449128.db2.gz DWXUJJUSUPPANP-HNNXBMFYSA-N 0 1 392.423 1.086 20 0 GDADMN O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC(F)(F)CC1 ZINC001571310199 946464285 /nfs/dbraw/zinc/46/42/85/946464285.db2.gz YALGFKMOQKLZTD-UMSPYCQHSA-N 0 1 392.414 1.211 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC001571310618 946476954 /nfs/dbraw/zinc/47/69/54/946476954.db2.gz KWDWNKSRJYCKHE-GOEBONIOSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@@H](C(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)n1cccc1 ZINC001571310812 946479999 /nfs/dbraw/zinc/47/99/99/946479999.db2.gz NQESFYFDKRNBBM-YWZLYKJASA-N 0 1 392.467 1.753 20 0 GDADMN CCc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1CC ZINC001571312707 946500049 /nfs/dbraw/zinc/50/00/49/946500049.db2.gz BCDQZUROSCFCDT-INIZCTEOSA-N 0 1 392.467 1.530 20 0 GDADMN CCc1cccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)n1 ZINC001571312858 946502804 /nfs/dbraw/zinc/50/28/04/946502804.db2.gz DTSJEXXGMJWJFB-XJKSGUPXSA-N 0 1 392.467 1.604 20 0 GDADMN CCCc1[nH]ccc1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571313711 946530887 /nfs/dbraw/zinc/53/08/87/946530887.db2.gz URWIWABXEKBSAZ-OKILXGFUSA-N 0 1 392.467 1.751 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)C[C@H](C)c3ccncc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314889 946544981 /nfs/dbraw/zinc/54/49/81/946544981.db2.gz CTXPCOVATVQYRP-XJKSGUPXSA-N 0 1 392.467 1.594 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571315629 946555055 /nfs/dbraw/zinc/55/50/55/946555055.db2.gz MMYUQEYFXYXDFK-HUUCEWRRSA-N 0 1 392.467 1.706 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc2n1CCC2 ZINC001571317102 946600007 /nfs/dbraw/zinc/60/00/07/946600007.db2.gz VGKRFNBVENVQSU-MRXNPFEDSA-N 0 1 392.467 1.404 20 0 GDADMN CC(=O)NCc1ccc(CN2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)cc1 ZINC001573532962 946705795 /nfs/dbraw/zinc/70/57/95/946705795.db2.gz BLTYUAJAJZKACU-UHFFFAOYSA-N 0 1 392.467 1.220 20 0 GDADMN C[C@@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824563846 946801049 /nfs/dbraw/zinc/80/10/49/946801049.db2.gz QRAZZEKNXILKIV-DBDZUICISA-N 0 1 398.492 1.571 20 0 GDADMN C[C@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824564161 946804278 /nfs/dbraw/zinc/80/42/78/946804278.db2.gz SRPTWGMVEHQDGB-OIJAAMDRSA-N 0 1 398.492 1.571 20 0 GDADMN C[C@H]1CC(=O)CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824859278 946950867 /nfs/dbraw/zinc/95/08/67/946950867.db2.gz PJMBWYXMKJUZCB-KBXCAEBGSA-N 0 1 384.484 1.762 20 0 GDADMN C[C@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573592571 947341263 /nfs/dbraw/zinc/34/12/63/947341263.db2.gz KNOCAZZXSBBZEQ-CQSZACIVSA-N 0 1 380.456 1.752 20 0 GDADMN CN(C[C@H]1CC=CCC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000825909153 947368105 /nfs/dbraw/zinc/36/81/05/947368105.db2.gz SGGCBFLDRYGFEO-VBKZILBWSA-N 0 1 395.467 1.879 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573593356 947368899 /nfs/dbraw/zinc/36/88/99/947368899.db2.gz RWQDQEJUHUFZNJ-NWDGAFQWSA-N 0 1 384.469 1.559 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(F)F ZINC001573597942 947440475 /nfs/dbraw/zinc/44/04/75/947440475.db2.gz PNAAPXMDNXEPSE-VHSXEESVSA-N 0 1 388.444 1.128 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(F)F ZINC001573597942 947440485 /nfs/dbraw/zinc/44/04/85/947440485.db2.gz PNAAPXMDNXEPSE-VHSXEESVSA-N 0 1 388.444 1.128 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573599459 947457161 /nfs/dbraw/zinc/45/71/61/947457161.db2.gz YGDMJFDASVKICI-TZMCWYRMSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573599459 947457169 /nfs/dbraw/zinc/45/71/69/947457169.db2.gz YGDMJFDASVKICI-TZMCWYRMSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@H](C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)c1cccnc1 ZINC001573613794 947570980 /nfs/dbraw/zinc/57/09/80/947570980.db2.gz IZNYJFXGOHPIJH-GUYCJALGSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573614813 947594253 /nfs/dbraw/zinc/59/42/53/947594253.db2.gz HMYIRTINTTZTKU-RYUDHWBXSA-N 0 1 384.469 1.204 20 0 GDADMN C[C@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573616484 947622914 /nfs/dbraw/zinc/62/29/14/947622914.db2.gz IVSQVLQWEHBMOA-GUYCJALGSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573624838 947696234 /nfs/dbraw/zinc/69/62/34/947696234.db2.gz MSKPAGZLJQAAMI-IUODEOHRSA-N 0 1 381.415 1.639 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573627643 947730260 /nfs/dbraw/zinc/73/02/60/947730260.db2.gz DDVGRWIJGHXKDH-ZJUUUORDSA-N 0 1 384.366 1.282 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259170 947747764 /nfs/dbraw/zinc/74/77/64/947747764.db2.gz JYIOMWAQWFHJQO-CQSZACIVSA-N 0 1 378.440 1.327 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573628624 947760053 /nfs/dbraw/zinc/76/00/53/947760053.db2.gz NAIOEQXQJKNNOB-MGPQQGTHSA-N 0 1 384.488 1.909 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573630796 947796645 /nfs/dbraw/zinc/79/66/45/947796645.db2.gz SGNPOOATNRPKKS-VHSXEESVSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573631806 947803974 /nfs/dbraw/zinc/80/39/74/947803974.db2.gz WZFXMAKHGDETCN-GJZGRUSLSA-N 0 1 380.456 1.397 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001573374620 947811363 /nfs/dbraw/zinc/81/13/63/947811363.db2.gz OOBNSWMFJLQYEP-UKRRQHHQSA-N 0 1 385.472 1.543 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573638142 947833470 /nfs/dbraw/zinc/83/34/70/947833470.db2.gz GGGFEPDMMMVNAJ-STQMWFEESA-N 0 1 386.485 1.467 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573638142 947833476 /nfs/dbraw/zinc/83/34/76/947833476.db2.gz GGGFEPDMMMVNAJ-STQMWFEESA-N 0 1 386.485 1.467 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001573378289 947854345 /nfs/dbraw/zinc/85/43/45/947854345.db2.gz YALOUQUNZLNSDV-ZWKOTPCHSA-N 0 1 382.468 1.659 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C1CCC1 ZINC001573652000 947927907 /nfs/dbraw/zinc/92/79/07/947927907.db2.gz UEZVQVBJPODGRP-BMFZPTHFSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)C(F)(F)F ZINC001573659438 948013776 /nfs/dbraw/zinc/01/37/76/948013776.db2.gz VUBVHYPZJMJGIR-VIFPVBQESA-N 0 1 384.366 1.118 20 0 GDADMN C[C@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1)C(F)(F)F ZINC001573663103 948031999 /nfs/dbraw/zinc/03/19/99/948031999.db2.gz IXKGLSRLHRIBBS-SNVBAGLBSA-N 0 1 383.378 1.723 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573665269 948068881 /nfs/dbraw/zinc/06/88/81/948068881.db2.gz JZRYKPBKXIRMOH-YOEHRIQHSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)n1cccc1 ZINC001573676222 948124626 /nfs/dbraw/zinc/12/46/26/948124626.db2.gz SPWDJBYSXHEKSU-UWVGGRQHSA-N 0 1 392.876 1.734 20 0 GDADMN C[C@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573681896 948216309 /nfs/dbraw/zinc/21/63/09/948216309.db2.gz YOHYPPPGKPIFRX-SWLSCSKDSA-N 0 1 390.463 1.399 20 0 GDADMN C[C@H](C(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573691507 948242868 /nfs/dbraw/zinc/24/28/68/948242868.db2.gz JKKYKFFMFKVGJT-ORAYPTAESA-N 0 1 384.488 1.816 20 0 GDADMN CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573439273 948244578 /nfs/dbraw/zinc/24/45/78/948244578.db2.gz KNRQKVFTPKAFNP-ZBFHGGJFSA-N 0 1 376.486 1.434 20 0 GDADMN CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573439273 948244587 /nfs/dbraw/zinc/24/45/87/948244587.db2.gz KNRQKVFTPKAFNP-ZBFHGGJFSA-N 0 1 376.486 1.434 20 0 GDADMN CC(=O)N1CC[C@@H](OC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)c2ccccc21 ZINC001573439653 948249489 /nfs/dbraw/zinc/24/94/89/948249489.db2.gz NXOFWJOOMLAFEU-QMTHXVAHSA-N 0 1 382.384 1.060 20 0 GDADMN C[C@@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573704794 948381987 /nfs/dbraw/zinc/38/19/87/948381987.db2.gz AOCWPVAZWHMXDI-NSHDSACASA-N 0 1 379.415 1.673 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573704910 948387524 /nfs/dbraw/zinc/38/75/24/948387524.db2.gz UTZRUSGEAGVUFW-QWRGUYRKSA-N 0 1 383.378 1.793 20 0 GDADMN O[C@H](COC(c1ccccc1)c1ccccc1)Cn1cnc(-c2nn[nH]n2)n1 ZINC000826504052 948423186 /nfs/dbraw/zinc/42/31/86/948423186.db2.gz MBQQSRSHICKQEP-INIZCTEOSA-N 0 1 377.408 1.625 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccc(Cl)s1 ZINC001573718100 948513692 /nfs/dbraw/zinc/51/36/92/948513692.db2.gz HSHRUGPNUDWKSF-SECBINFHSA-N 0 1 392.876 1.728 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C(C)(F)F ZINC001573725611 948544122 /nfs/dbraw/zinc/54/41/22/948544122.db2.gz CHEDULKKLDNHKG-OUAUKWLOSA-N 0 1 380.403 1.137 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573753402 948718912 /nfs/dbraw/zinc/71/89/12/948718912.db2.gz TVNOKADDCOKAHO-DHXZDTOLSA-N 0 1 392.467 1.546 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CCC1 ZINC001573754072 948724418 /nfs/dbraw/zinc/72/44/18/948724418.db2.gz ZXTULIJZRIPHGX-MTYBJYJGSA-N 0 1 384.459 1.988 20 0 GDADMN CC(C)c1cccc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574418159 948771814 /nfs/dbraw/zinc/77/18/14/948771814.db2.gz UAGINMJOZHFFRF-AKAXFMLLSA-N 0 1 392.467 1.823 20 0 GDADMN CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001574080191 948786512 /nfs/dbraw/zinc/78/65/12/948786512.db2.gz JNKTWCNWYOSCSC-OAHLLOKOSA-N 0 1 384.419 1.301 20 0 GDADMN C[C@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916699 948788151 /nfs/dbraw/zinc/78/81/51/948788151.db2.gz HTKHHMQODNAWTR-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](CNC(=O)CCc1ccn(C)n1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916699 948788159 /nfs/dbraw/zinc/78/81/59/948788159.db2.gz HTKHHMQODNAWTR-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)[C@H](F)C(=O)NCCN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574080482 948796340 /nfs/dbraw/zinc/79/63/40/948796340.db2.gz MBLWKKCHSMDETI-KRWDZBQOSA-N 0 1 389.479 1.095 20 0 GDADMN CC(C)c1cccc(CN(C)[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574420556 948801666 /nfs/dbraw/zinc/80/16/66/948801666.db2.gz YLWOVFWZRBUNRX-CYBMUJFWSA-N 0 1 382.472 1.964 20 0 GDADMN CC(C)c1ccoc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001574421556 948820570 /nfs/dbraw/zinc/82/05/70/948820570.db2.gz MFIPHLQNHBWERJ-YPMHNXCESA-N 0 1 382.428 1.770 20 0 GDADMN CC(C)c1ccoc1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574421767 948822157 /nfs/dbraw/zinc/82/21/57/948822157.db2.gz ONNKNQPIZVGHHI-UHFFFAOYSA-N 0 1 382.428 1.726 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cn1ccnc1 ZINC001574684104 948859165 /nfs/dbraw/zinc/85/91/65/948859165.db2.gz BWXUHPNHAQOYBQ-MRVPVSSYSA-N 0 1 381.853 1.180 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1csnn1 ZINC001574684410 948866839 /nfs/dbraw/zinc/86/68/39/948866839.db2.gz FSXDWAAQFJXOQB-YFKPBYRVSA-N 0 1 385.866 1.449 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1CC1(F)F ZINC001574684552 948872778 /nfs/dbraw/zinc/87/27/78/948872778.db2.gz ICEQYJOAZUIZRS-WDSKDSINSA-N 0 1 377.808 1.939 20 0 GDADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCCCN1C ZINC001574684777 948887828 /nfs/dbraw/zinc/88/78/28/948887828.db2.gz MOFZPRNNIYZBBV-FZMZJTMJSA-N 0 1 376.440 1.192 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573764948 948893133 /nfs/dbraw/zinc/89/31/33/948893133.db2.gz SCTNXWMYSJKSRJ-WDEREUQCSA-N 0 1 392.414 1.518 20 0 GDADMN C[C@@H](CNC(=O)CCc1nccs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920297 948897507 /nfs/dbraw/zinc/89/75/07/948897507.db2.gz HXLCGEAAVHJNEZ-NSHDSACASA-N 0 1 389.460 1.689 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccnnc1 ZINC001574685662 948914565 /nfs/dbraw/zinc/91/45/65/948914565.db2.gz YOOBERUTMQIALL-SSDOTTSWSA-N 0 1 379.837 1.387 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCC(C)(F)F ZINC001575235490 948918250 /nfs/dbraw/zinc/91/82/50/948918250.db2.gz MQPLLUHFSODEHH-SNVBAGLBSA-N 0 1 382.419 1.457 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573771698 948945161 /nfs/dbraw/zinc/94/51/61/948945161.db2.gz LBMBFFDNDMSCCM-TZMCWYRMSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574433317 948954389 /nfs/dbraw/zinc/95/43/89/948954389.db2.gz UDVSAQQCRZMJPG-GFCCVEGCSA-N 0 1 381.444 1.170 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575239833 948963991 /nfs/dbraw/zinc/96/39/91/948963991.db2.gz VVBVKLZYDOLITE-TUAOUCFPSA-N 0 1 392.414 1.566 20 0 GDADMN CC(F)(F)CCC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575240084 948967063 /nfs/dbraw/zinc/96/70/63/948967063.db2.gz YTYDOESJWRUNPK-UHFFFAOYSA-N 0 1 392.414 1.353 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573773078 948972403 /nfs/dbraw/zinc/97/24/03/948972403.db2.gz GGBUDQRBXXAYDA-GOSISDBHSA-N 0 1 391.479 1.930 20 0 GDADMN C[C@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574925830 948981642 /nfs/dbraw/zinc/98/16/42/948981642.db2.gz DZOVXOSZDFSZEC-CQSZACIVSA-N 0 1 380.456 1.339 20 0 GDADMN CC(C)c1nnsc1C(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574440950 949044973 /nfs/dbraw/zinc/04/49/73/949044973.db2.gz ZFKDRNCMAPXFCF-UHFFFAOYSA-N 0 1 392.514 1.765 20 0 GDADMN CC(C)c1nnsc1C(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574440950 949044993 /nfs/dbraw/zinc/04/49/93/949044993.db2.gz ZFKDRNCMAPXFCF-UHFFFAOYSA-N 0 1 392.514 1.765 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574441220 949050797 /nfs/dbraw/zinc/05/07/97/949050797.db2.gz IBDQWPGHBQRQMH-CQSZACIVSA-N 0 1 381.440 1.982 20 0 GDADMN CC(C)(C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)F ZINC001573779504 949064496 /nfs/dbraw/zinc/06/44/96/949064496.db2.gz KFNXHBFLJKOZOT-UHFFFAOYSA-N 0 1 380.403 1.281 20 0 GDADMN CC(C)(C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573780065 949079964 /nfs/dbraw/zinc/07/99/64/949079964.db2.gz QWOZGXKPHYKCBA-UHFFFAOYSA-N 0 1 392.467 1.363 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575504783 949086889 /nfs/dbraw/zinc/08/68/89/949086889.db2.gz XVKPFLYJWCJGBU-RYUDHWBXSA-N 0 1 387.469 1.385 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575504783 949086909 /nfs/dbraw/zinc/08/69/09/949086909.db2.gz XVKPFLYJWCJGBU-RYUDHWBXSA-N 0 1 387.469 1.385 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574093188 949092008 /nfs/dbraw/zinc/09/20/08/949092008.db2.gz UXXVWNHPNJVAIW-PDFKHUOFSA-N 0 1 384.459 1.844 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574094123 949127176 /nfs/dbraw/zinc/12/71/76/949127176.db2.gz XMZIDYBXZBOVQV-ZIAGYGMSSA-N 0 1 385.472 1.053 20 0 GDADMN CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574446378 949128213 /nfs/dbraw/zinc/12/82/13/949128213.db2.gz NTESPWRAIFCVAH-BXUZGUMPSA-N 0 1 382.428 1.368 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573783131 949140217 /nfs/dbraw/zinc/14/02/17/949140217.db2.gz SCPOUDQETITYEV-GOSISDBHSA-N 0 1 391.479 1.930 20 0 GDADMN C[C@@H](NC(=O)[C@]1(F)CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575251990 949151835 /nfs/dbraw/zinc/15/18/35/949151835.db2.gz DFNDSUQUSXAIDH-ZMZPIMSZSA-N 0 1 392.410 1.071 20 0 GDADMN C[C@@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575252795 949172225 /nfs/dbraw/zinc/17/22/25/949172225.db2.gz HMAQSGYRCZPHCO-OLZOCXBDSA-N 0 1 388.451 1.660 20 0 GDADMN CC(C)c1ocnc1CNC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574448315 949181400 /nfs/dbraw/zinc/18/14/00/949181400.db2.gz IEPQCXWEFZYIIL-UHFFFAOYSA-N 0 1 384.444 1.701 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935775 949204205 /nfs/dbraw/zinc/20/42/05/949204205.db2.gz GHFXXPKIBGEHHL-SNVBAGLBSA-N 0 1 388.382 1.119 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@@](CO)(NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573791598 949227185 /nfs/dbraw/zinc/22/71/85/949227185.db2.gz CQHYRHXBFZBBQC-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1ccncc1-c1nn[nH]n1 ZINC001574937765 949230585 /nfs/dbraw/zinc/23/05/85/949230585.db2.gz QJLPSPSOHAEJGR-VIFPVBQESA-N 0 1 377.861 1.558 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001574451371 949233919 /nfs/dbraw/zinc/23/39/19/949233919.db2.gz OEFQIUCDCBUVRS-ZYHUDNBSSA-N 0 1 383.416 1.023 20 0 GDADMN C[C@@H](NC(=O)C12CC(C(C)(C)C)(C1)C2)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575255583 949239258 /nfs/dbraw/zinc/23/92/58/949239258.db2.gz RDBXGPKAHDMBRN-TYGXQLQZSA-N 0 1 384.488 1.600 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001575854648 949240178 /nfs/dbraw/zinc/24/01/78/949240178.db2.gz YZKJGOGUXMQXFG-ILXRZTDVSA-N 0 1 381.484 1.913 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574451783 949244765 /nfs/dbraw/zinc/24/47/65/949244765.db2.gz YOFOBJXQIMURJI-HAQNSBGRSA-N 0 1 382.428 1.416 20 0 GDADMN CC1(c2ccccc2C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575857153 949258488 /nfs/dbraw/zinc/25/84/88/949258488.db2.gz OVRGNISWOCXJOC-UHFFFAOYSA-N 0 1 390.451 1.671 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001574940417 949262258 /nfs/dbraw/zinc/26/22/58/949262258.db2.gz FKPPNJJXULQKHE-CQSZACIVSA-N 0 1 391.479 1.579 20 0 GDADMN CC(C)(C)C(=O)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573793505 949294916 /nfs/dbraw/zinc/29/49/16/949294916.db2.gz SNRRYJLTRCMAOK-UHFFFAOYSA-N 0 1 376.486 1.528 20 0 GDADMN CC(C)(C)C(=O)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573793505 949294941 /nfs/dbraw/zinc/29/49/41/949294941.db2.gz SNRRYJLTRCMAOK-UHFFFAOYSA-N 0 1 376.486 1.528 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](c1ccccc1)C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574703135 949313632 /nfs/dbraw/zinc/31/36/32/949313632.db2.gz RKSXQIPFHURMIW-CXAGYDPISA-N 0 1 392.467 1.531 20 0 GDADMN CC1=C(C)C[C@H](C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)CC1 ZINC001575861217 949321888 /nfs/dbraw/zinc/32/18/88/949321888.db2.gz PWSHMZLBHXFILO-QRVBRYPASA-N 0 1 396.495 1.665 20 0 GDADMN CC1(C(=O)N(CCNc2ccnc(-c3nn[nH]n3)n2)Cc2ccccc2)CC1 ZINC001575525508 949344757 /nfs/dbraw/zinc/34/47/57/949344757.db2.gz OXXXASAUMNNSSL-UHFFFAOYSA-N 0 1 378.440 1.319 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CCCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575262726 949376122 /nfs/dbraw/zinc/37/61/22/949376122.db2.gz BRPOPGGLLSXRDU-OLZOCXBDSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CCCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575262740 949379170 /nfs/dbraw/zinc/37/91/70/949379170.db2.gz BTGFNJAYFONBNI-OCCSQVGLSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576155320 949397733 /nfs/dbraw/zinc/39/77/33/949397733.db2.gz IBAYIQLDFKLHPX-DZGCQCFKSA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573801791 949403678 /nfs/dbraw/zinc/40/36/78/949403678.db2.gz CPTYMTNKBWTREM-SFHVURJKSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@H](CNC(=O)Cc1cncs1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574945054 949407973 /nfs/dbraw/zinc/40/79/73/949407973.db2.gz JMSUAQGUAJTUDU-SNVBAGLBSA-N 0 1 375.433 1.299 20 0 GDADMN C[C@H](CNC(=O)Cc1cncs1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574945556 949414267 /nfs/dbraw/zinc/41/42/67/949414267.db2.gz MGIMADBPWPSBOY-ZCFIWIBFSA-N 0 1 384.878 1.592 20 0 GDADMN C[C@@H](CNC(=O)Cc1cncs1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574945555 949416056 /nfs/dbraw/zinc/41/60/56/949416056.db2.gz MGIMADBPWPSBOY-LURJTMIESA-N 0 1 384.878 1.592 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574705541 949428570 /nfs/dbraw/zinc/42/85/70/949428570.db2.gz IFBJQPDQGKDWHQ-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705541 949428582 /nfs/dbraw/zinc/42/85/82/949428582.db2.gz IFBJQPDQGKDWHQ-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705541 949428601 /nfs/dbraw/zinc/42/86/01/949428601.db2.gz IFBJQPDQGKDWHQ-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465620 949439785 /nfs/dbraw/zinc/43/97/85/949439785.db2.gz SVFSBRHAGIPDOG-ZDUSSCGKSA-N 0 1 381.444 1.438 20 0 GDADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001589622913 949440176 /nfs/dbraw/zinc/44/01/76/949440176.db2.gz NTYMOXUYHDBQII-HZPDHXFCSA-N 0 1 396.532 1.652 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574705900 949443330 /nfs/dbraw/zinc/44/33/30/949443330.db2.gz KIPFZFFHJYQPPJ-FZMZJTMJSA-N 0 1 392.895 1.658 20 0 GDADMN C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574470335 949493233 /nfs/dbraw/zinc/49/32/33/949493233.db2.gz AZPBOEQLOKQACF-XNWIYYODSA-N 0 1 384.366 1.068 20 0 GDADMN C[C@H](NC(=O)CC1OCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575267370 949502470 /nfs/dbraw/zinc/50/24/70/949502470.db2.gz IMCVFDNRPWISHH-NSHDSACASA-N 0 1 392.485 1.018 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccco1 ZINC001576158793 949502967 /nfs/dbraw/zinc/50/29/67/949502967.db2.gz UNIVVWXWWUJUDZ-SGTLLEGYSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268757 949527146 /nfs/dbraw/zinc/52/71/46/949527146.db2.gz ORVDTTAKZSBBNO-GOEBONIOSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@]3(CCN(c4ccncc4-c4nn[nH]n4)C3)C2)CCOC1 ZINC001575538904 949531650 /nfs/dbraw/zinc/53/16/50/949531650.db2.gz KXCNJLQUBLUDEI-MOPGFXCFSA-N 0 1 383.456 1.117 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001576164282 949554253 /nfs/dbraw/zinc/55/42/53/949554253.db2.gz GOQHPTVSYYAUGC-WSMBLCCSSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269732 949560710 /nfs/dbraw/zinc/56/07/10/949560710.db2.gz WONXZFGMPHHJBW-TZMCWYRMSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166419 949579453 /nfs/dbraw/zinc/57/94/53/949579453.db2.gz LNYYOZQKEXTDGU-QWHCGFSZSA-N 0 1 388.451 1.400 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cnoc1 ZINC001573810831 949581634 /nfs/dbraw/zinc/58/16/34/949581634.db2.gz DOYMQHAVXAGECP-CQSZACIVSA-N 0 1 389.485 1.779 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cnoc1 ZINC001573810831 949581649 /nfs/dbraw/zinc/58/16/49/949581649.db2.gz DOYMQHAVXAGECP-CQSZACIVSA-N 0 1 389.485 1.779 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574128227 949623445 /nfs/dbraw/zinc/62/34/45/949623445.db2.gz MNGXFOAQVOXJPG-LBPRGKRZSA-N 0 1 380.518 1.567 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574128227 949623461 /nfs/dbraw/zinc/62/34/61/949623461.db2.gz MNGXFOAQVOXJPG-LBPRGKRZSA-N 0 1 380.518 1.567 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2cccnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576168644 949650367 /nfs/dbraw/zinc/65/03/67/949650367.db2.gz CTLJESJJZLYPQE-KBXCAEBGSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576169254 949672949 /nfs/dbraw/zinc/67/29/49/949672949.db2.gz GAXKEBGIXQBPPZ-CXAGYDPISA-N 0 1 380.456 1.293 20 0 GDADMN C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCO1 ZINC001574477972 949687344 /nfs/dbraw/zinc/68/73/44/949687344.db2.gz WNSKLPQRRDMYMQ-ZIAGYGMSSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574959032 949697909 /nfs/dbraw/zinc/69/79/09/949697909.db2.gz PPHMYLAEBDTCKA-KDXUFGMBSA-N 0 1 383.865 1.461 20 0 GDADMN C[C@H](CN(C)C(=O)CCCCc1cn[nH]n1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574716959 949719847 /nfs/dbraw/zinc/71/98/47/949719847.db2.gz MTMBCWAHNBKKFK-GFCCVEGCSA-N 0 1 384.448 1.052 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574134710 949725364 /nfs/dbraw/zinc/72/53/64/949725364.db2.gz IOODVQZKGIVQHG-CABCVRRESA-N 0 1 386.504 1.801 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCc1ccon1 ZINC001573818301 949731469 /nfs/dbraw/zinc/73/14/69/949731469.db2.gz KDNQZXXPNDFEEN-HNNXBMFYSA-N 0 1 384.444 1.247 20 0 GDADMN C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576170739 949731930 /nfs/dbraw/zinc/73/19/30/949731930.db2.gz NVBPFVKUTXVNQU-XJKSGUPXSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001574479299 949735338 /nfs/dbraw/zinc/73/53/38/949735338.db2.gz DMXPCGFMHGOMGQ-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(F)s1 ZINC001573820711 949767831 /nfs/dbraw/zinc/76/78/31/949767831.db2.gz ZEUGZEXOIKUPHD-SNVBAGLBSA-N 0 1 390.448 1.536 20 0 GDADMN CC1(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)CCCC1 ZINC001575560210 949780769 /nfs/dbraw/zinc/78/07/69/949780769.db2.gz MJWPZALSWVLZGY-ZDUSSCGKSA-N 0 1 382.472 1.712 20 0 GDADMN CC(C)C[C@@H](C)CN1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001574138496 949793978 /nfs/dbraw/zinc/79/39/78/949793978.db2.gz FBQHQEYQODVLJT-UKRRQHHQSA-N 0 1 387.488 1.450 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576177974 949868883 /nfs/dbraw/zinc/86/88/83/949868883.db2.gz AGIRHUAJGLZPIN-BDJLRTHQSA-N 0 1 384.419 1.504 20 0 GDADMN C[C@@H](CC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574484625 949892159 /nfs/dbraw/zinc/89/21/59/949892159.db2.gz KXQPJRFJHATBJD-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575284271 949899514 /nfs/dbraw/zinc/89/95/14/949899514.db2.gz TVMWLBPYZJZWGC-ZIAGYGMSSA-N 0 1 387.488 1.798 20 0 GDADMN C[C@@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575284528 949907442 /nfs/dbraw/zinc/90/74/42/949907442.db2.gz JFZGMCQQWFXRLG-GDBMZVCRSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180150 949938788 /nfs/dbraw/zinc/93/87/88/949938788.db2.gz CJQZMWLPWQERCU-ZYHUDNBSSA-N 0 1 392.414 1.020 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575285312 949941594 /nfs/dbraw/zinc/94/15/94/949941594.db2.gz MTLOHAMHSUFQAX-IUCAKERBSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575285312 949941614 /nfs/dbraw/zinc/94/16/14/949941614.db2.gz MTLOHAMHSUFQAX-IUCAKERBSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=CCOCC1 ZINC001574150951 950045768 /nfs/dbraw/zinc/04/57/68/950045768.db2.gz HRUPDPKUZPBTFB-CQSZACIVSA-N 0 1 390.513 1.895 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=CCOCC1 ZINC001574150951 950045788 /nfs/dbraw/zinc/04/57/88/950045788.db2.gz HRUPDPKUZPBTFB-CQSZACIVSA-N 0 1 390.513 1.895 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001573835395 950054507 /nfs/dbraw/zinc/05/45/07/950054507.db2.gz WQTPUUSCCCQZMH-MGPQQGTHSA-N 0 1 384.488 1.814 20 0 GDADMN CC1(C(=O)NCC2(NCc3ccc(-c4nn[nH]n4)cc3F)CC2)CCOCC1 ZINC001575575851 950059547 /nfs/dbraw/zinc/05/95/47/950059547.db2.gz MHFILEYRSMSKJQ-UHFFFAOYSA-N 0 1 388.447 1.561 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC1(O)CCC1 ZINC001574151128 950061284 /nfs/dbraw/zinc/06/12/84/950061284.db2.gz LNQYNVXFWJSBHI-CYBMUJFWSA-N 0 1 392.529 1.854 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574151128 950061306 /nfs/dbraw/zinc/06/13/06/950061306.db2.gz LNQYNVXFWJSBHI-CYBMUJFWSA-N 0 1 392.529 1.854 20 0 GDADMN CC1(C(=O)NC[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)CCCCC1 ZINC001575577053 950080749 /nfs/dbraw/zinc/08/07/49/950080749.db2.gz UUQIDNMVBBBOON-HNNXBMFYSA-N 0 1 390.463 1.543 20 0 GDADMN C[C@H](CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574492457 950084681 /nfs/dbraw/zinc/08/46/81/950084681.db2.gz MXNMELMIBYHIQS-VQCLRJIVSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733625 950118076 /nfs/dbraw/zinc/11/80/76/950118076.db2.gz DXCABAZBZPWOEF-ZQGRQUNCSA-N 0 1 392.467 1.315 20 0 GDADMN C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574493510 950133251 /nfs/dbraw/zinc/13/32/51/950133251.db2.gz SXBIRLVFINBKJL-SCLBCKFNSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184659 950137384 /nfs/dbraw/zinc/13/73/84/950137384.db2.gz WWHJOVXRCSJJAI-DGCLKSJQSA-N 0 1 391.426 1.625 20 0 GDADMN NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262527480 950138100 /nfs/dbraw/zinc/13/81/00/950138100.db2.gz OXQCUBQQHFBDFE-SNPRPXQTSA-N 0 1 391.493 1.920 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1CNCc1cnns1 ZINC001576185008 950151724 /nfs/dbraw/zinc/15/17/24/950151724.db2.gz YJLVBSZHSOPPKI-IINYFYTJSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574735054 950159341 /nfs/dbraw/zinc/15/93/41/950159341.db2.gz YGXURULNMWAXBB-KTUBUYFOSA-N 0 1 388.497 1.288 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574735054 950159349 /nfs/dbraw/zinc/15/93/49/950159349.db2.gz YGXURULNMWAXBB-KTUBUYFOSA-N 0 1 388.497 1.288 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(CF)CCC1 ZINC001574154500 950173943 /nfs/dbraw/zinc/17/39/43/950173943.db2.gz FCMIEDIWVGECLJ-LBPRGKRZSA-N 0 1 376.440 1.161 20 0 GDADMN CC1(C(=O)NC[C@@]2(O)CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCC1 ZINC001575584614 950174688 /nfs/dbraw/zinc/17/46/88/950174688.db2.gz YTYHRDBJZNRZCN-IBGZPJMESA-N 0 1 388.447 1.249 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899528 950174829 /nfs/dbraw/zinc/17/48/29/950174829.db2.gz XLRIMUZGDLDGIR-CJNGLKHVSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001574155042 950184741 /nfs/dbraw/zinc/18/47/41/950184741.db2.gz IPDAFJDWJQDTCM-JTQLQIEISA-N 0 1 380.403 1.067 20 0 GDADMN C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576192009 950217975 /nfs/dbraw/zinc/21/79/75/950217975.db2.gz JJEZXJCOCKBVMQ-OLZOCXBDSA-N 0 1 375.452 1.606 20 0 GDADMN C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576192009 950217995 /nfs/dbraw/zinc/21/79/95/950217995.db2.gz JJEZXJCOCKBVMQ-OLZOCXBDSA-N 0 1 375.452 1.606 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575588008 950244363 /nfs/dbraw/zinc/24/43/63/950244363.db2.gz PDGSTWURHZPYTK-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575588008 950244377 /nfs/dbraw/zinc/24/43/77/950244377.db2.gz PDGSTWURHZPYTK-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575588008 950244398 /nfs/dbraw/zinc/24/43/98/950244398.db2.gz PDGSTWURHZPYTK-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575588008 950244415 /nfs/dbraw/zinc/24/44/15/950244415.db2.gz PDGSTWURHZPYTK-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCCN1C ZINC001574159402 950306612 /nfs/dbraw/zinc/30/66/12/950306612.db2.gz HCCDMUTYELGFDS-HIFRSBDPSA-N 0 1 390.467 1.438 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@@H]1CCCO1 ZINC001574500383 950312097 /nfs/dbraw/zinc/31/20/97/950312097.db2.gz ZXKFPKFDNBOJCD-CJNGLKHVSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@@H]1CCCO1 ZINC001574500382 950313533 /nfs/dbraw/zinc/31/35/33/950313533.db2.gz ZXKFPKFDNBOJCD-BBRMVZONSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906918 950319632 /nfs/dbraw/zinc/31/96/32/950319632.db2.gz KPZOOICXJQQSGV-GXFFZTMASA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906918 950319653 /nfs/dbraw/zinc/31/96/53/950319653.db2.gz KPZOOICXJQQSGV-GXFFZTMASA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576194013 950328257 /nfs/dbraw/zinc/32/82/57/950328257.db2.gz XMIIVPOCVYGAOJ-HIFRSBDPSA-N 0 1 378.440 1.289 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnsn1 ZINC001575908601 950374417 /nfs/dbraw/zinc/37/44/17/950374417.db2.gz VPTHKFNMBWXHKV-SCZZXKLOSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cnsn1 ZINC001575908601 950374442 /nfs/dbraw/zinc/37/44/42/950374442.db2.gz VPTHKFNMBWXHKV-SCZZXKLOSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574503116 950403411 /nfs/dbraw/zinc/40/34/11/950403411.db2.gz UASPVRUIVONZPO-LSDHHAIUSA-N 0 1 392.467 1.793 20 0 GDADMN CC(C)n1ccc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C)n1 ZINC001575909804 950408027 /nfs/dbraw/zinc/40/80/27/950408027.db2.gz IIAQJAWMXAUYRQ-DOMZBBRYSA-N 0 1 383.460 1.365 20 0 GDADMN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001573857516 950409170 /nfs/dbraw/zinc/40/91/70/950409170.db2.gz TZGHWVYMSWNUTI-VIFPVBQESA-N 0 1 394.461 1.271 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576199462 950424105 /nfs/dbraw/zinc/42/41/05/950424105.db2.gz ZBOZXZMOKYPSOE-CQSZACIVSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576199462 950424123 /nfs/dbraw/zinc/42/41/23/950424123.db2.gz ZBOZXZMOKYPSOE-CQSZACIVSA-N 0 1 384.488 1.031 20 0 GDADMN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2c[nH]nc2-c2nn[nH]n2)cc1 ZINC001573860716 950430378 /nfs/dbraw/zinc/43/03/78/950430378.db2.gz NADGTAYDRHHYKB-UHFFFAOYSA-N 0 1 384.400 1.867 20 0 GDADMN C[C@@H](CC(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001574507202 950453773 /nfs/dbraw/zinc/45/37/73/950453773.db2.gz FYFGCSNRDZSGQW-AWEZNQCLSA-N 0 1 382.472 1.342 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(c1nc(-c3nn[nH]n3)c(Cl)s1)C2 ZINC001573863326 950475182 /nfs/dbraw/zinc/47/51/82/950475182.db2.gz CFGMXSNYPYGSJK-AYVTZFPOSA-N 0 1 398.876 1.771 20 0 GDADMN CC1CCN(CC(=O)NC2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001576204873 950484221 /nfs/dbraw/zinc/48/42/21/950484221.db2.gz DDQFIUAFROTESE-UHFFFAOYSA-N 0 1 387.463 1.038 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574994980 950497480 /nfs/dbraw/zinc/49/74/80/950497480.db2.gz BPDPFKSXLKCTRX-NSHDSACASA-N 0 1 384.444 1.802 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573866457 950500256 /nfs/dbraw/zinc/50/02/56/950500256.db2.gz CRERJMVZJVGSFZ-STQMWFEESA-N 0 1 386.460 1.042 20 0 GDADMN CC(C)CCC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574168351 950510409 /nfs/dbraw/zinc/51/04/09/950510409.db2.gz UWODMAFEWOXYDK-ZDUSSCGKSA-N 0 1 380.518 1.616 20 0 GDADMN CC(C)CCC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574168351 950510428 /nfs/dbraw/zinc/51/04/28/950510428.db2.gz UWODMAFEWOXYDK-ZDUSSCGKSA-N 0 1 380.518 1.616 20 0 GDADMN C[C@H](CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C1CC1 ZINC001574509566 950514699 /nfs/dbraw/zinc/51/46/99/950514699.db2.gz SEILZPJKPIVAFF-UMVBOHGHSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574509804 950530544 /nfs/dbraw/zinc/53/05/44/950530544.db2.gz XZMWHTMUMSVGCB-RYUDHWBXSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574509804 950530558 /nfs/dbraw/zinc/53/05/58/950530558.db2.gz XZMWHTMUMSVGCB-RYUDHWBXSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1ccncc1-c1nn[nH]n1 ZINC001574997237 950537608 /nfs/dbraw/zinc/53/76/08/950537608.db2.gz SDUFLZRZNFGACP-NSHDSACASA-N 0 1 383.460 1.182 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574754136 950562023 /nfs/dbraw/zinc/56/20/23/950562023.db2.gz YEWJPPLRLSOMOV-GFCCVEGCSA-N 0 1 378.440 1.140 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575917390 950568462 /nfs/dbraw/zinc/56/84/62/950568462.db2.gz XEMMOTFROGVKFV-HIFRSBDPSA-N 0 1 386.504 1.641 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575917390 950568483 /nfs/dbraw/zinc/56/84/83/950568483.db2.gz XEMMOTFROGVKFV-HIFRSBDPSA-N 0 1 386.504 1.641 20 0 GDADMN C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CN1CCC(C)CC1 ZINC001576207394 950595599 /nfs/dbraw/zinc/59/55/99/950595599.db2.gz GWQGXKPJSJWAEL-GFCCVEGCSA-N 0 1 392.895 1.564 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574515160 950622631 /nfs/dbraw/zinc/62/26/31/950622631.db2.gz AQZBIWVEQZMIBV-YDHLFZDLSA-N 0 1 384.488 1.602 20 0 GDADMN CC1(C)C(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1(C)C ZINC001575619805 950624138 /nfs/dbraw/zinc/62/41/38/950624138.db2.gz PTAVTXGXXICCBJ-VXGBXAGGSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574515159 950625432 /nfs/dbraw/zinc/62/54/32/950625432.db2.gz AQZBIWVEQZMIBV-UMVBOHGHSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574518688 950655004 /nfs/dbraw/zinc/65/50/04/950655004.db2.gz PQXIFAQJDPPMES-BPLDGKMQSA-N 0 1 378.440 1.332 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924320 950673440 /nfs/dbraw/zinc/67/34/40/950673440.db2.gz FFEQIGAUXAESRQ-BMIGLBTASA-N 0 1 385.378 1.677 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1ccccc1 ZINC001575924509 950676635 /nfs/dbraw/zinc/67/66/35/950676635.db2.gz FMLWUSBVTSWNKE-BBRMVZONSA-N 0 1 379.424 1.164 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001589745161 950683298 /nfs/dbraw/zinc/68/32/98/950683298.db2.gz ZDJODIJSVQPPEF-WMLDXEAASA-N 0 1 375.425 1.435 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575625598 950690054 /nfs/dbraw/zinc/69/00/54/950690054.db2.gz SKWDTZARAARNGO-LBPRGKRZSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCn1cccc1 ZINC001575925863 950693149 /nfs/dbraw/zinc/69/31/49/950693149.db2.gz VPLQLCXBMIFHDM-ZBFHGGJFSA-N 0 1 380.456 1.367 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573877793 950697079 /nfs/dbraw/zinc/69/70/79/950697079.db2.gz GLPWNAZHGQXIGX-CHWSQXEVSA-N 0 1 384.488 1.459 20 0 GDADMN C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576216220 950729024 /nfs/dbraw/zinc/72/90/24/950729024.db2.gz DCGKFLPGLKQMRQ-SMDDNHRTSA-N 0 1 382.472 1.021 20 0 GDADMN C[C@H]1[C@@H](O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001576216364 950732311 /nfs/dbraw/zinc/73/23/11/950732311.db2.gz HXUIIJCZQOYSBF-MDZLAQPJSA-N 0 1 390.513 1.837 20 0 GDADMN C[C@H]1[C@@H](O)CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001576216364 950732324 /nfs/dbraw/zinc/73/23/24/950732324.db2.gz HXUIIJCZQOYSBF-MDZLAQPJSA-N 0 1 390.513 1.837 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575927818 950760789 /nfs/dbraw/zinc/76/07/89/950760789.db2.gz VBPBUPZNWISZJM-LRDDRELGSA-N 0 1 390.451 1.671 20 0 GDADMN CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001574183902 950766448 /nfs/dbraw/zinc/76/64/48/950766448.db2.gz AYDZFGHWUNFXJE-JTQLQIEISA-N 0 1 378.437 1.858 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574765295 950780806 /nfs/dbraw/zinc/78/08/06/950780806.db2.gz HDEPOQASBIRKEA-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573884729 950808300 /nfs/dbraw/zinc/80/83/00/950808300.db2.gz KDSNHUUAHLQNSD-NSHDSACASA-N 0 1 381.444 1.031 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)CCCCC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576226753 950889215 /nfs/dbraw/zinc/88/92/15/950889215.db2.gz ALKFWXIWOIKIEY-KGLIPLIRSA-N 0 1 384.488 1.698 20 0 GDADMN CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575640480 950895406 /nfs/dbraw/zinc/89/54/06/950895406.db2.gz HTQIOAVTWGKNDV-ZDUSSCGKSA-N 0 1 381.444 1.410 20 0 GDADMN C[C@H]1CN(C(=O)C2(F)CCCCC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576227129 950901723 /nfs/dbraw/zinc/90/17/23/950901723.db2.gz CGNFYIUMWZBKIA-QWHCGFSZSA-N 0 1 388.451 1.400 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574528640 950936760 /nfs/dbraw/zinc/93/67/60/950936760.db2.gz NVAHAJZFQCNNOR-OLZOCXBDSA-N 0 1 381.440 1.654 20 0 GDADMN C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575937570 950949723 /nfs/dbraw/zinc/94/97/23/950949723.db2.gz KQBMZCVSUVFXHT-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575937570 950949735 /nfs/dbraw/zinc/94/97/35/950949735.db2.gz KQBMZCVSUVFXHT-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)(CC(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CC1 ZINC001573898323 950975165 /nfs/dbraw/zinc/97/51/65/950975165.db2.gz YUPGERRCNHIRAJ-LJQANCHMSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccncc1-c1nn[nH]n1 ZINC001575017313 950984502 /nfs/dbraw/zinc/98/45/02/950984502.db2.gz CZKCLICIWJWEMV-VIFPVBQESA-N 0 1 377.355 1.692 20 0 GDADMN C[C@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576230287 950999700 /nfs/dbraw/zinc/99/97/00/950999700.db2.gz ANKRLIGRIWOUQY-GOEBONIOSA-N 0 1 392.467 1.274 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1csnn1 ZINC001574530872 951000798 /nfs/dbraw/zinc/00/07/98/951000798.db2.gz YEKYRTUVZMGDMN-IUCAKERBSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1csnn1 ZINC001574530872 951000818 /nfs/dbraw/zinc/00/08/18/951000818.db2.gz YEKYRTUVZMGDMN-IUCAKERBSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024296 951100255 /nfs/dbraw/zinc/10/02/55/951100255.db2.gz ACHCWLSHPJPORQ-ZDUSSCGKSA-N 0 1 392.467 1.790 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575025133 951126500 /nfs/dbraw/zinc/12/65/00/951126500.db2.gz VRBRSHVEDMXPOZ-LURJTMIESA-N 0 1 382.812 1.741 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025381 951131447 /nfs/dbraw/zinc/13/14/47/951131447.db2.gz YRNGXVOMUNCVKT-ZDUSSCGKSA-N 0 1 392.467 1.435 20 0 GDADMN C[C@H](CNC(=O)c1cccc(C2CCC2)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027530 951157021 /nfs/dbraw/zinc/15/70/21/951157021.db2.gz RPMIUSMWLFMGNU-GFCCVEGCSA-N 0 1 378.440 1.577 20 0 GDADMN C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575027574 951161088 /nfs/dbraw/zinc/16/10/88/951161088.db2.gz GKAGVPHFDCGXPP-CYBMUJFWSA-N 0 1 380.456 1.582 20 0 GDADMN C[C@@H](CNC(=O)c1cccnc1C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575031922 951211210 /nfs/dbraw/zinc/21/12/10/951211210.db2.gz MCKPZVVELFFSOE-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1ccnnc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575033921 951231737 /nfs/dbraw/zinc/23/17/37/951231737.db2.gz DXQSTBBXTAXRTO-ZETCQYMHSA-N 0 1 379.837 1.021 20 0 GDADMN C[C@@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575033953 951234194 /nfs/dbraw/zinc/23/41/94/951234194.db2.gz FKGSADWNRIXEFP-NSHDSACASA-N 0 1 386.485 1.758 20 0 GDADMN C[C@@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575033953 951234203 /nfs/dbraw/zinc/23/42/03/951234203.db2.gz FKGSADWNRIXEFP-NSHDSACASA-N 0 1 386.485 1.758 20 0 GDADMN C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575034491 951250976 /nfs/dbraw/zinc/25/09/76/951250976.db2.gz BTWUQVXOXGDQAM-LLVKDONJSA-N 0 1 379.428 1.184 20 0 GDADMN C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575036660 951297335 /nfs/dbraw/zinc/29/73/35/951297335.db2.gz VDICFNLATPNNMJ-GFCCVEGCSA-N 0 1 381.444 1.226 20 0 GDADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC001595019012 951306456 /nfs/dbraw/zinc/30/64/56/951306456.db2.gz LORGYNAZOWSZEX-AWEZNQCLSA-N 0 1 378.425 1.487 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575042399 951362449 /nfs/dbraw/zinc/36/24/49/951362449.db2.gz JEKWQNPNSJENOT-LLVKDONJSA-N 0 1 388.501 1.693 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575042399 951362462 /nfs/dbraw/zinc/36/24/62/951362462.db2.gz JEKWQNPNSJENOT-LLVKDONJSA-N 0 1 388.501 1.693 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575042635 951364776 /nfs/dbraw/zinc/36/47/76/951364776.db2.gz ASVOOPNQZYCRPN-LLVKDONJSA-N 0 1 381.444 1.002 20 0 GDADMN C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575044015 951408566 /nfs/dbraw/zinc/40/85/66/951408566.db2.gz NVKMLDFOHNIOFU-LBPRGKRZSA-N 0 1 381.444 1.049 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(F)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575046975 951449718 /nfs/dbraw/zinc/44/97/18/951449718.db2.gz WJKSTAIRWCGRHO-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(F)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575046975 951449724 /nfs/dbraw/zinc/44/97/24/951449724.db2.gz WJKSTAIRWCGRHO-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNC(=O)c1cnn(CCF)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575055405 951506520 /nfs/dbraw/zinc/50/65/20/951506520.db2.gz SLXQAWAEPIQUQU-LLVKDONJSA-N 0 1 390.398 1.080 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575055492 951508511 /nfs/dbraw/zinc/50/85/11/951508511.db2.gz VQWWMDHMNOAJPO-NSHDSACASA-N 0 1 386.485 1.443 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575055492 951508517 /nfs/dbraw/zinc/50/85/17/951508517.db2.gz VQWWMDHMNOAJPO-NSHDSACASA-N 0 1 386.485 1.443 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575057822 951530586 /nfs/dbraw/zinc/53/05/86/951530586.db2.gz QXIKYYAKTBVGST-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575057822 951530592 /nfs/dbraw/zinc/53/05/92/951530592.db2.gz QXIKYYAKTBVGST-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+](CCCOc2ccccc2)C2CCOCC2)C1=O ZINC001595072533 951608939 /nfs/dbraw/zinc/60/89/39/951608939.db2.gz XORIGHTZMQOKRN-SFHVURJKSA-N 0 1 376.453 1.622 20 0 GDADMN C[C@H](CNC(=O)c1sccc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575070565 951651945 /nfs/dbraw/zinc/65/19/45/951651945.db2.gz RMMIONCRNRUFLD-MRVPVSSYSA-N 0 1 378.849 1.626 20 0 GDADMN O=C([O-])CN1CC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC001595079902 951671040 /nfs/dbraw/zinc/67/10/40/951671040.db2.gz XBBVDYZYPMQBBR-RYUDHWBXSA-N 0 1 380.750 1.667 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575088707 951743258 /nfs/dbraw/zinc/74/32/58/951743258.db2.gz BEHGORNJWBCJOO-APPDUMDISA-N 0 1 376.486 1.339 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575088707 951743266 /nfs/dbraw/zinc/74/32/66/951743266.db2.gz BEHGORNJWBCJOO-APPDUMDISA-N 0 1 376.486 1.339 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnns1 ZINC001575089151 951748161 /nfs/dbraw/zinc/74/81/61/951748161.db2.gz FDJNDMYRAOICHF-SECBINFHSA-N 0 1 376.421 1.108 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCOC1 ZINC001575089510 951751048 /nfs/dbraw/zinc/75/10/48/951751048.db2.gz GITNKWMXWAJVBJ-QWHCGFSZSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CC(F)(F)C1 ZINC001575091235 951771474 /nfs/dbraw/zinc/77/14/74/951771474.db2.gz QGSWZYLFFZAPJP-SNVBAGLBSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575091295 951772952 /nfs/dbraw/zinc/77/29/52/951772952.db2.gz QIJUZPLMOFVISP-GTNSWQLSSA-N 0 1 380.399 1.071 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cscn1 ZINC001575091545 951777898 /nfs/dbraw/zinc/77/78/98/951777898.db2.gz URNTVKWWLMILOD-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1ccncn1)C1CC1 ZINC001575091934 951786732 /nfs/dbraw/zinc/78/67/32/951786732.db2.gz ZFFCWLXCZMHQFX-QGZVFWFLSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)c1ccncn1)C1CC1 ZINC001575091934 951786739 /nfs/dbraw/zinc/78/67/39/951786739.db2.gz ZFFCWLXCZMHQFX-QGZVFWFLSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098735 951825763 /nfs/dbraw/zinc/82/57/63/951825763.db2.gz FTIWZQNZAQCSOG-CHWSQXEVSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098735 951825780 /nfs/dbraw/zinc/82/57/80/951825780.db2.gz FTIWZQNZAQCSOG-CHWSQXEVSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099332 951832219 /nfs/dbraw/zinc/83/22/19/951832219.db2.gz KFYHFNQPKYKNMT-MRVPVSSYSA-N 0 1 379.471 1.246 20 0 GDADMN C[C@@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099332 951832225 /nfs/dbraw/zinc/83/22/25/951832225.db2.gz KFYHFNQPKYKNMT-MRVPVSSYSA-N 0 1 379.471 1.246 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCCn1cccn1 ZINC001575099383 951833390 /nfs/dbraw/zinc/83/33/90/951833390.db2.gz LEUAXHUTPHGRTP-ZDUSSCGKSA-N 0 1 388.501 1.542 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCCn1cccn1 ZINC001575099383 951833401 /nfs/dbraw/zinc/83/34/01/951833401.db2.gz LEUAXHUTPHGRTP-ZDUSSCGKSA-N 0 1 388.501 1.542 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001575100109 951841122 /nfs/dbraw/zinc/84/11/22/951841122.db2.gz QSWAFLCIFQQQTP-LBPRGKRZSA-N 0 1 388.501 1.861 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001575100109 951841128 /nfs/dbraw/zinc/84/11/28/951841128.db2.gz QSWAFLCIFQQQTP-LBPRGKRZSA-N 0 1 388.501 1.861 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100562 951847432 /nfs/dbraw/zinc/84/74/32/951847432.db2.gz UFUAUNJFKCMTBF-ZDUSSCGKSA-N 0 1 385.497 1.798 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100562 951847443 /nfs/dbraw/zinc/84/74/43/951847443.db2.gz UFUAUNJFKCMTBF-ZDUSSCGKSA-N 0 1 385.497 1.798 20 0 GDADMN C[C@@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101013 951851654 /nfs/dbraw/zinc/85/16/54/951851654.db2.gz XOGRQBQQVDVKCN-LLVKDONJSA-N 0 1 389.460 1.547 20 0 GDADMN C[C@@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101013 951851656 /nfs/dbraw/zinc/85/16/56/951851656.db2.gz XOGRQBQQVDVKCN-LLVKDONJSA-N 0 1 389.460 1.547 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc(Cl)no1 ZINC001575103438 951875606 /nfs/dbraw/zinc/87/56/06/951875606.db2.gz UHVQQDMQHYLVLU-QMMMGPOBSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc(Cl)no1 ZINC001575103438 951875615 /nfs/dbraw/zinc/87/56/15/951875615.db2.gz UHVQQDMQHYLVLU-QMMMGPOBSA-N 0 1 381.849 1.820 20 0 GDADMN O=C([O-])Cn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1 ZINC001595143258 952098294 /nfs/dbraw/zinc/09/82/94/952098294.db2.gz XLGKKMDKWGDPHW-INIZCTEOSA-N 0 1 383.452 1.395 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001575137035 952132215 /nfs/dbraw/zinc/13/22/15/952132215.db2.gz SGYBDACWUMMOFM-IBGZPJMESA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575139843 952142713 /nfs/dbraw/zinc/14/27/13/952142713.db2.gz CLNWQBPGWABKER-SFHVURJKSA-N 0 1 382.428 1.001 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575141515 952145508 /nfs/dbraw/zinc/14/55/08/952145508.db2.gz HTXJNISSGLKEPA-IQUTYRLHSA-N 0 1 382.472 1.212 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1cccs1 ZINC001575142787 952147891 /nfs/dbraw/zinc/14/78/91/952147891.db2.gz LTZPEILWGYUYFE-GFCCVEGCSA-N 0 1 386.485 1.422 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc2c1CCCC2 ZINC001575143905 952159782 /nfs/dbraw/zinc/15/97/82/952159782.db2.gz DOWSTCYVRMTQIS-ZDUSSCGKSA-N 0 1 392.467 1.530 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575144062 952161758 /nfs/dbraw/zinc/16/17/58/952161758.db2.gz FVRWAGVDFMBZMZ-SFHVURJKSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccccc1C1(C)CC1 ZINC001575144911 952173636 /nfs/dbraw/zinc/17/36/36/952173636.db2.gz NPKHIVKLPHMRCH-CYBMUJFWSA-N 0 1 392.467 1.703 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575146453 952193958 /nfs/dbraw/zinc/19/39/58/952193958.db2.gz LHFGNYQJMHOMIF-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575164597 952295883 /nfs/dbraw/zinc/29/58/83/952295883.db2.gz FYYKQOMYROKHKG-WPPNPWJKSA-N 0 1 389.844 1.364 20 0 GDADMN C[C@](CNc1ncccc1-c1nn[nH]n1)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC001575165716 952313968 /nfs/dbraw/zinc/31/39/68/952313968.db2.gz VFTIDEYVJCRHPC-PJIJBLCYSA-N 0 1 393.455 1.485 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575165913 952315084 /nfs/dbraw/zinc/31/50/84/952315084.db2.gz RCERQZURXLNUQG-RITPCOANSA-N 0 1 377.808 1.891 20 0 GDADMN C[C@@H](CS(=O)(=O)N(CCN(C)C)Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001575178326 952406708 /nfs/dbraw/zinc/40/67/08/952406708.db2.gz OORRVIFDPPISOG-AWEZNQCLSA-N 0 1 392.529 1.606 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575188588 952449096 /nfs/dbraw/zinc/44/90/96/952449096.db2.gz JTPQKSULMMMKRS-HSBZDZAISA-N 0 1 381.440 1.557 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575195933 952474554 /nfs/dbraw/zinc/47/45/54/952474554.db2.gz DJWLLAMNEMVRGK-UONOGXRCSA-N 0 1 381.440 1.558 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575197305 952482142 /nfs/dbraw/zinc/48/21/42/952482142.db2.gz SJTAMNXSWBMUQB-QWHCGFSZSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575203325 952521528 /nfs/dbraw/zinc/52/15/28/952521528.db2.gz TZSDFZTWCOQIAU-CQSZACIVSA-N 0 1 380.456 1.113 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)C3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124230 952535423 /nfs/dbraw/zinc/53/54/23/952535423.db2.gz BWLWLAVJSJTOCY-LBPRGKRZSA-N 0 1 377.399 1.700 20 0 GDADMN Cc1cc(NC[C@H]2CCCN2C(=O)C2CC(F)(F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124584 952541673 /nfs/dbraw/zinc/54/16/73/952541673.db2.gz NTCRQXHXBANQTE-GFCCVEGCSA-N 0 1 377.399 1.440 20 0 GDADMN Cc1cnc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)c1 ZINC001571127336 952553520 /nfs/dbraw/zinc/55/35/20/952553520.db2.gz DOCOFCQUXXBTSK-QGZVFWFLSA-N 0 1 377.452 1.883 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571134799 952595169 /nfs/dbraw/zinc/59/51/69/952595169.db2.gz MZRFQCZXWDPZQD-CABCVRRESA-N 0 1 378.440 1.473 20 0 GDADMN CCc1ccccc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571134985 952598851 /nfs/dbraw/zinc/59/88/51/952598851.db2.gz OIVZYLKOAQNBJV-DOMZBBRYSA-N 0 1 378.440 1.214 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571135134 952599898 /nfs/dbraw/zinc/59/98/98/952599898.db2.gz PNEYFYCAEWWOBL-CQSZACIVSA-N 0 1 378.440 1.672 20 0 GDADMN Cc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(-c3nn[nH]n3)cc2)c[nH]1 ZINC001571135426 952603691 /nfs/dbraw/zinc/60/36/91/952603691.db2.gz XNVRJFVXIQVCGF-IYBDPMFKSA-N 0 1 378.440 1.387 20 0 GDADMN CN(C[C@@H]1CCCCN1C(=O)c1ccncc1)c1ccncc1-c1nn[nH]n1 ZINC001571135545 952605387 /nfs/dbraw/zinc/60/53/87/952605387.db2.gz WICRKISPFZLCAB-HNNXBMFYSA-N 0 1 378.440 1.788 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1[O-] ZINC001571140267 952624793 /nfs/dbraw/zinc/62/47/93/952624793.db2.gz BAXJFCRCDSKVBL-WFASDCNBSA-N 0 1 379.424 1.360 20 0 GDADMN C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571141017 952630318 /nfs/dbraw/zinc/63/03/18/952630318.db2.gz FOCKCPNMWFCENY-IONNQARKSA-N 0 1 378.849 1.877 20 0 GDADMN O=C(c1cc[nH]c1)N1CCC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571142313 952640360 /nfs/dbraw/zinc/64/03/60/952640360.db2.gz OVODWEGQQZHAMX-IBGZPJMESA-N 0 1 378.440 1.723 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571147346 952661014 /nfs/dbraw/zinc/66/10/14/952661014.db2.gz KQFTYHNMZXLLJB-GOSISDBHSA-N 0 1 379.428 1.036 20 0 GDADMN CCc1ccc(CCN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC001571151731 952678091 /nfs/dbraw/zinc/67/80/91/952678091.db2.gz VVNBQRISANLIJW-KRWDZBQOSA-N 0 1 379.468 1.804 20 0 GDADMN O=C(C1CC1)N1CCC[C@@H]2[C@@H]1CCN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571152050 952681328 /nfs/dbraw/zinc/68/13/28/952681328.db2.gz BSFLTAQEVXQDGV-ZJUUUORDSA-N 0 1 379.877 1.956 20 0 GDADMN Cc1cccnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571157971 952709303 /nfs/dbraw/zinc/70/93/03/952709303.db2.gz PBTYVWUVUGYFCI-CYBMUJFWSA-N 0 1 379.428 1.149 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)c3cccnn3)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159656 952721149 /nfs/dbraw/zinc/72/11/49/952721149.db2.gz VLULIJGZSACDHN-HNNXBMFYSA-N 0 1 379.428 1.005 20 0 GDADMN Cc1cc(N2CCC(C)(NC(=O)c3cncnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571160383 952726343 /nfs/dbraw/zinc/72/63/43/952726343.db2.gz ZVHANCMDSXRVGQ-UHFFFAOYSA-N 0 1 379.428 1.149 20 0 GDADMN O=C(c1cocn1)N1CCC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)CC[C@@H]21 ZINC001571162473 952743950 /nfs/dbraw/zinc/74/39/50/952743950.db2.gz VDWMZBRQFMITPE-DOMZBBRYSA-N 0 1 380.412 1.381 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3ccc[nH]3)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169605 952776352 /nfs/dbraw/zinc/77/63/52/952776352.db2.gz HSRWQHFIPUOYJY-INIZCTEOSA-N 0 1 380.456 1.933 20 0 GDADMN Cc1cc(N2CCN(C(=O)c3cccn3C(C)C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571170045 952783005 /nfs/dbraw/zinc/78/30/05/952783005.db2.gz REQOQMPFNHXTDR-UHFFFAOYSA-N 0 1 380.456 1.915 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571170484 952786328 /nfs/dbraw/zinc/78/63/28/952786328.db2.gz VIJKHVDOTGRJTM-KBPBESRZSA-N 0 1 380.456 1.994 20 0 GDADMN Cc1nn(C)c(C)c1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172250 952804553 /nfs/dbraw/zinc/80/45/53/952804553.db2.gz QSDBXMLUSLIKAX-INIZCTEOSA-N 0 1 380.456 1.221 20 0 GDADMN C[C@@]1(NC(=O)c2cccnc2)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571178237 952836952 /nfs/dbraw/zinc/83/69/52/952836952.db2.gz CDIVQVDZRRKQQD-LJQANCHMSA-N 0 1 381.415 1.795 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)ccn1 ZINC001571178774 952847409 /nfs/dbraw/zinc/84/74/09/952847409.db2.gz TZPQHORFGKKFPV-INIZCTEOSA-N 0 1 381.415 1.714 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)[C@H]2C)no1 ZINC001571179348 952851721 /nfs/dbraw/zinc/85/17/21/952851721.db2.gz BQVSZGZTWNEZQB-BBRMVZONSA-N 0 1 381.440 1.946 20 0 GDADMN Cc1ocnc1C(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001571179267 952851839 /nfs/dbraw/zinc/85/18/39/952851839.db2.gz AVPJWILGMSYNLM-OAHLLOKOSA-N 0 1 381.440 1.804 20 0 GDADMN Cc1occc1C(=O)N1C[C@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571179515 952852913 /nfs/dbraw/zinc/85/29/13/952852913.db2.gz FJTSZLVFPBAVNH-FZMZJTMJSA-N 0 1 381.440 1.714 20 0 GDADMN Cc1cc(NC[C@@H]2CN(C(=O)Cc3ccco3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179884 952856450 /nfs/dbraw/zinc/85/64/50/952856450.db2.gz JIYNSOCAYOPLDC-TZMCWYRMSA-N 0 1 381.440 1.334 20 0 GDADMN CN(c1ccncc1-c1nn[nH]n1)C1CCN(C(=O)CCc2ccoc2)CC1 ZINC001571182992 952872106 /nfs/dbraw/zinc/87/21/06/952872106.db2.gz LPCIGZULKWMZDL-UHFFFAOYSA-N 0 1 381.440 1.915 20 0 GDADMN COc1cccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1C ZINC001571183114 952873529 /nfs/dbraw/zinc/87/35/29/952873529.db2.gz OYGVHEOHLDVXFT-CQSZACIVSA-N 0 1 381.440 1.516 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1ccc(-c2nn[nH]n2)nc1 ZINC001571183763 952883561 /nfs/dbraw/zinc/88/35/61/952883561.db2.gz JAAUZSLBQKTSQF-MLGOLLRUSA-N 0 1 381.444 1.728 20 0 GDADMN CCn1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571184806 952896589 /nfs/dbraw/zinc/89/65/89/952896589.db2.gz DEHCBMBWKZGXCD-ZDUSSCGKSA-N 0 1 381.444 1.185 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CCC(C)(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571187642 952908908 /nfs/dbraw/zinc/90/89/08/952908908.db2.gz AEGNRWMGXOLSAX-UHFFFAOYSA-N 0 1 381.444 1.130 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@H](C)C2)n1 ZINC001571187637 952909142 /nfs/dbraw/zinc/90/91/42/952909142.db2.gz ABIHKRLQLFOFKV-CHWSQXEVSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1ncc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nn[nH]n4)c(C)n3)C2)[nH]1 ZINC001571189235 952927156 /nfs/dbraw/zinc/92/71/56/952927156.db2.gz TVXFMXPUPGMNFM-GWCFXTLKSA-N 0 1 381.444 1.422 20 0 GDADMN Cc1nc(NC[C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189281 952928025 /nfs/dbraw/zinc/92/80/25/952928025.db2.gz PDQDPQWVJUDPCI-ZDUSSCGKSA-N 0 1 381.444 1.186 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](C)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC001571189605 952932611 /nfs/dbraw/zinc/93/26/11/952932611.db2.gz YEOYVVMDEQNWQT-STQMWFEESA-N 0 1 381.444 1.646 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571190107 952939752 /nfs/dbraw/zinc/93/97/52/952939752.db2.gz FMOQDKWLHNFMEC-GFOFROLCSA-N 0 1 381.484 1.947 20 0 GDADMN C[C@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001571191200 952945606 /nfs/dbraw/zinc/94/56/06/952945606.db2.gz OFFOOGUBLRUBOX-IMJJTQAJSA-N 0 1 381.484 1.983 20 0 GDADMN Cc1cc(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)ccc1F ZINC001571195547 952976707 /nfs/dbraw/zinc/97/67/07/952976707.db2.gz BONZHIUBFZIYLQ-UHFFFAOYSA-N 0 1 382.403 1.457 20 0 GDADMN CCc1occc1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571198538 952991251 /nfs/dbraw/zinc/99/12/51/952991251.db2.gz BLHYIFPATQKKHJ-LBPRGKRZSA-N 0 1 382.428 1.341 20 0 GDADMN CCc1nc(C(=O)N2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2C)co1 ZINC001571199635 953003418 /nfs/dbraw/zinc/00/34/18/953003418.db2.gz XBZYULMMIXJWHB-RYUDHWBXSA-N 0 1 382.428 1.258 20 0 GDADMN Cc1cc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2cocn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571200594 953010886 /nfs/dbraw/zinc/01/08/86/953010886.db2.gz FJTSROYHJLWAFZ-YPMHNXCESA-N 0 1 382.428 1.333 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)on1 ZINC001571201063 953014164 /nfs/dbraw/zinc/01/41/64/953014164.db2.gz JDJSPMCTNQCHNZ-ZWNOBZJWSA-N 0 1 382.428 1.369 20 0 GDADMN CCCc1cc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571201434 953017380 /nfs/dbraw/zinc/01/73/80/953017380.db2.gz PXZJEIHNOTZGDL-HAQNSBGRSA-N 0 1 382.428 1.245 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CC[C@@H]1NC(=O)Cc1ccoc1 ZINC001571201560 953018965 /nfs/dbraw/zinc/01/89/65/953018965.db2.gz ROOQUZDYPMASSB-ZDUSSCGKSA-N 0 1 382.428 1.214 20 0 GDADMN O=C(Cc1ccn[nH]1)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nn[nH]n1 ZINC001571201912 953020716 /nfs/dbraw/zinc/02/07/16/953020716.db2.gz TVIPANAWXOEJBC-BETUJISGSA-N 0 1 382.403 1.151 20 0 GDADMN C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571201987 953021553 /nfs/dbraw/zinc/02/15/53/953021553.db2.gz UGTYYNQOGQFLFJ-JTNHKYCSSA-N 0 1 382.428 1.391 20 0 GDADMN Cc1ncoc1C(=O)N[C@@H]1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202666 953027551 /nfs/dbraw/zinc/02/75/51/953027551.db2.gz XCFFUGJBTQGOAJ-QWHCGFSZSA-N 0 1 382.428 1.299 20 0 GDADMN Cc1nocc1CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571205746 953041392 /nfs/dbraw/zinc/04/13/92/953041392.db2.gz LHRCQVJLTMEXAD-HZPDHXFCSA-N 0 1 382.428 1.370 20 0 GDADMN Cc1oc(C(C)C)nc1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571206596 953052825 /nfs/dbraw/zinc/05/28/25/953052825.db2.gz RIZXDDFKUWJFEK-TXEJJXNPSA-N 0 1 382.428 1.476 20 0 GDADMN Cc1oc(C)c(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1C ZINC001571207070 953059439 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20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)Cc3cccs3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233929 953197611 /nfs/dbraw/zinc/19/76/11/953197611.db2.gz IGRMRABGXBVQEG-BZNIZROVSA-N 0 1 383.481 1.555 20 0 GDADMN O=C(C[C@H]1CCCO1)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234648 953204223 /nfs/dbraw/zinc/20/42/23/953204223.db2.gz FGKAZJSNKWVECA-DTWKUNHWSA-N 0 1 383.865 1.559 20 0 GDADMN CN(C(=O)Cc1ccco1)[C@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571238955 953235145 /nfs/dbraw/zinc/23/51/45/953235145.db2.gz DBSYKXROCOETMB-AWEZNQCLSA-N 0 1 384.415 1.874 20 0 GDADMN Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n1 ZINC001571239694 953241845 /nfs/dbraw/zinc/24/18/45/953241845.db2.gz QDGZVSIGXUOMHN-ZDUSSCGKSA-N 0 1 384.419 1.289 20 0 GDADMN Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n1 ZINC001571239694 953241849 /nfs/dbraw/zinc/24/18/49/953241849.db2.gz QDGZVSIGXUOMHN-ZDUSSCGKSA-N 0 1 384.419 1.289 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2c2ncccn2)cc1-c1nn[nH]n1 ZINC001571241578 953248206 /nfs/dbraw/zinc/24/82/06/953248206.db2.gz DWAPVECYOYQEPV-NSHDSACASA-N 0 1 384.425 1.457 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)[nH]1 ZINC001571241943 953251122 /nfs/dbraw/zinc/25/11/22/953251122.db2.gz QJLCOFCWCBVAHQ-AWEZNQCLSA-N 0 1 384.419 1.350 20 0 GDADMN CC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN(C(=O)c2ncccn2)CC1 ZINC001571245356 953273318 /nfs/dbraw/zinc/27/33/18/953273318.db2.gz GXMJPRNVGNFZQY-UHFFFAOYSA-N 0 1 384.469 1.503 20 0 GDADMN CC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN(C(=O)c2ncccn2)CC1 ZINC001571245356 953273321 /nfs/dbraw/zinc/27/33/21/953273321.db2.gz GXMJPRNVGNFZQY-UHFFFAOYSA-N 0 1 384.469 1.503 20 0 GDADMN Cc1cc(CNC[C@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)on1 ZINC001571247571 953283771 /nfs/dbraw/zinc/28/37/71/953283771.db2.gz ARCKENNLSBBFPD-BZNIZROVSA-N 0 1 384.444 1.522 20 0 GDADMN C[C@H]1COCC[C@H]1C(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248503 953294536 /nfs/dbraw/zinc/29/45/36/953294536.db2.gz WAFKRIPYJOOEIM-MAUKXSAKSA-N 0 1 384.484 1.574 20 0 GDADMN C[C@H](CC(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001571249057 953300536 /nfs/dbraw/zinc/30/05/36/953300536.db2.gz CAMLDCHESXYYTO-CYBMUJFWSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249461 953306114 /nfs/dbraw/zinc/30/61/14/953306114.db2.gz JIIVSXWVBXYYKO-HIFRSBDPSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001571249691 953306876 /nfs/dbraw/zinc/30/68/76/953306876.db2.gz KKOAPELIFCZAFE-KBPBESRZSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571249691 953306880 /nfs/dbraw/zinc/30/68/80/953306880.db2.gz KKOAPELIFCZAFE-KBPBESRZSA-N 0 1 384.488 1.395 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCC1 ZINC001571250515 953311599 /nfs/dbraw/zinc/31/15/99/953311599.db2.gz QKIAKFJGWPSBOR-HNNXBMFYSA-N 0 1 384.488 1.539 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571252531 953329738 /nfs/dbraw/zinc/32/97/38/953329738.db2.gz OWEXDXURZKDQRJ-UONOGXRCSA-N 0 1 384.488 1.957 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)no1 ZINC001571254520 953339677 /nfs/dbraw/zinc/33/96/77/953339677.db2.gz HAUYLIVUVWUDCN-LBPRGKRZSA-N 0 1 385.403 1.554 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)cc1 ZINC001571254651 953340829 /nfs/dbraw/zinc/34/08/29/953340829.db2.gz FQXHCJSREBSQAD-ZDUSSCGKSA-N 0 1 384.831 1.709 20 0 GDADMN CC(C)(CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C(=O)[O-] ZINC000424405296 953470529 /nfs/dbraw/zinc/47/05/29/953470529.db2.gz OAFNPXBUACNUNT-SJORKVTESA-N 0 1 377.485 1.670 20 0 GDADMN COc1ccc(CN2CCN(C(=O)C[N@H+]3C[C@H](C(=O)[O-])CC[C@H]3C)CC2)cc1 ZINC000517370825 953546160 /nfs/dbraw/zinc/54/61/60/953546160.db2.gz KYAFUXJVDDCYMX-SJLPKXTDSA-N 0 1 389.496 1.525 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564963775 953607610 /nfs/dbraw/zinc/60/76/10/953607610.db2.gz LLYJVGMFOOTZPW-IIDMSEBBSA-N 0 1 377.460 1.905 20 0 GDADMN C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000571557583 953661999 /nfs/dbraw/zinc/66/19/99/953661999.db2.gz WVXITVWOONVQAQ-LMMKCTJWSA-N 0 1 388.512 1.949 20 0 GDADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001589305776 953737348 /nfs/dbraw/zinc/73/73/48/953737348.db2.gz QUXASNTWKITNKX-GHMZBOCLSA-N 0 1 379.482 1.849 20 0 GDADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001589305776 953737355 /nfs/dbraw/zinc/73/73/55/953737355.db2.gz QUXASNTWKITNKX-GHMZBOCLSA-N 0 1 379.482 1.849 20 0 GDADMN Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000629497953 953828733 /nfs/dbraw/zinc/82/87/33/953828733.db2.gz FWUGCGXRZUYXDE-UKRRQHHQSA-N 0 1 397.497 1.226 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001589323522 953885431 /nfs/dbraw/zinc/88/54/31/953885431.db2.gz KXPPGHXKOHYHNI-MLGHIDQZSA-N 0 1 393.406 1.370 20 0 GDADMN CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000643177284 953902330 /nfs/dbraw/zinc/90/23/30/953902330.db2.gz SLRXILTVPOHSSC-UHFFFAOYSA-N 0 1 382.464 1.847 20 0 GDADMN CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001593683527 953977382 /nfs/dbraw/zinc/97/73/82/953977382.db2.gz AMIFGWZQKLMIQC-UHFFFAOYSA-N 0 1 376.457 1.332 20 0 GDADMN C[C@@H]1CC[N@@H+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)C[C@H]1C(=O)[O-] ZINC001589353574 954106973 /nfs/dbraw/zinc/10/69/73/954106973.db2.gz QEBOOHONKBJNPX-MGPQQGTHSA-N 0 1 382.457 1.582 20 0 GDADMN NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000659753897 954356333 /nfs/dbraw/zinc/35/63/33/954356333.db2.gz LLFAQUBQTXICAC-SFHVURJKSA-N 0 1 397.431 1.852 20 0 GDADMN NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000659753897 954356347 /nfs/dbraw/zinc/35/63/47/954356347.db2.gz LLFAQUBQTXICAC-SFHVURJKSA-N 0 1 397.431 1.852 20 0 GDADMN C[C@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC[C@@H]1C(=O)[O-] ZINC001589395989 954371150 /nfs/dbraw/zinc/37/11/50/954371150.db2.gz QDFBNQGFXHYIJF-WMZOPIPTSA-N 0 1 393.528 1.670 20 0 GDADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)NCCCC[N@@H+](C)C3CC3)C2)cn1 ZINC001593751128 954410678 /nfs/dbraw/zinc/41/06/78/954410678.db2.gz HDCYURYVBWCUAP-GJZGRUSLSA-N 0 1 377.489 1.494 20 0 GDADMN C[NH+](C)CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000676206949 954582290 /nfs/dbraw/zinc/58/22/90/954582290.db2.gz ONZPKOSYSGVAEQ-UHFFFAOYSA-N 0 1 382.482 1.491 20 0 GDADMN CN(C(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])nn2C)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001593779782 954631280 /nfs/dbraw/zinc/63/12/80/954631280.db2.gz UTNMCFMCRDKNJF-HNNXBMFYSA-N 0 1 399.451 1.537 20 0 GDADMN C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(C(=O)[O-])CCCCC3)CC2)CC1 ZINC001593781553 954673788 /nfs/dbraw/zinc/67/37/88/954673788.db2.gz QMCOGAIJQNZABC-UHFFFAOYSA-N 0 1 379.501 1.424 20 0 GDADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)o2)C1 ZINC001594918608 954785153 /nfs/dbraw/zinc/78/51/53/954785153.db2.gz VSEUCIBUIZUQDM-IAGOWNOFSA-N 0 1 377.485 1.877 20 0 GDADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)Cc2ccccc21 ZINC001594953147 954964855 /nfs/dbraw/zinc/96/48/55/954964855.db2.gz BOIODVSCTYWIFL-SJLPKXTDSA-N 0 1 395.415 1.548 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](CCCS(=O)(=O)C(C)(C)C)C[C@@H]2C(=O)[O-] ZINC001593823366 955062656 /nfs/dbraw/zinc/06/26/56/955062656.db2.gz DIBRPSBTQIAXOP-UIORMTCPSA-N 0 1 375.487 1.176 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-] ZINC001593825241 955100235 /nfs/dbraw/zinc/10/02/35/955100235.db2.gz ZBUKVYOYOMAKGP-YCTJDYOESA-N 0 1 396.484 1.972 20 0 GDADMN 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JPUVZJNVCUFSNG-CYBMUJFWSA-N 0 1 397.357 1.386 20 0 GDADMN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000833107089 601326076 /nfs/dbraw/zinc/32/60/76/601326076.db2.gz YABSGVWXYIASGE-SFHVURJKSA-N 0 1 395.463 1.883 20 0 GDADMN O=C([O-])c1ccc(N2CCCC2)c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000833150107 601360223 /nfs/dbraw/zinc/36/02/23/601360223.db2.gz CHQLDXJCUJABAL-OAHLLOKOSA-N 0 1 386.452 1.230 20 0 GDADMN COc1ccc(CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1C(=O)[O-] ZINC000832324120 601360781 /nfs/dbraw/zinc/36/07/81/601360781.db2.gz SVUCCXZODLJDPF-XJKSGUPXSA-N 0 1 377.441 1.256 20 0 GDADMN Cc1cnc(N2CC[NH+](C[C@H](O)COc3ccc(C(=O)[O-])cc3)CC2)s1 ZINC000832987778 601381961 /nfs/dbraw/zinc/38/19/61/601381961.db2.gz ALXJDJGHMLKLHW-HNNXBMFYSA-N 0 1 377.466 1.712 20 0 GDADMN Cc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000832888350 601410571 /nfs/dbraw/zinc/41/05/71/601410571.db2.gz FWRIYTPNPYBQMR-UHFFFAOYSA-N 0 1 382.428 1.619 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Br)c(Cl)c1 ZINC000823131643 607507099 /nfs/dbraw/zinc/50/70/99/607507099.db2.gz KZUVDVQDBVHPKR-UHFFFAOYSA-N 0 1 383.597 1.513 20 0 GDADMN CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C(=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000829142085 601449772 /nfs/dbraw/zinc/44/97/72/601449772.db2.gz RUFQQEYXZNOBKJ-KURKYZTESA-N 0 1 378.469 1.846 20 0 GDADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000831230763 601484883 /nfs/dbraw/zinc/48/48/83/601484883.db2.gz KULDTYKIAPTSKU-UHFFFAOYSA-N 0 1 397.453 1.258 20 0 GDADMN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000831585328 601489985 /nfs/dbraw/zinc/48/99/85/601489985.db2.gz LYIWBQSUMCYBBU-KRWDZBQOSA-N 0 1 380.470 1.490 20 0 GDADMN CCC1CCC([NH2+]CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)(C(=O)[O-])CC1 ZINC000829101568 601495967 /nfs/dbraw/zinc/49/59/67/601495967.db2.gz RVOYAXFAQYRQOQ-OHTSDLOESA-N 0 1 383.533 1.473 20 0 GDADMN COc1ccc(CN2CCCN(C(=O)C[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000832315408 601530508 /nfs/dbraw/zinc/53/05/08/601530508.db2.gz YPNSNNHYLUISRG-QFBILLFUSA-N 0 1 389.496 1.382 20 0 GDADMN Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000832857533 601540532 /nfs/dbraw/zinc/54/05/32/601540532.db2.gz SJONWFRLGGEIQE-INWMFGNUSA-N 0 1 386.452 1.464 20 0 GDADMN CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])CC1 ZINC000825828257 601541437 /nfs/dbraw/zinc/54/14/37/601541437.db2.gz DUMGZHXONWELLF-FUHWJXTLSA-N 0 1 379.501 1.469 20 0 GDADMN CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])CC1 ZINC000825828257 601541440 /nfs/dbraw/zinc/54/14/40/601541440.db2.gz DUMGZHXONWELLF-FUHWJXTLSA-N 0 1 379.501 1.469 20 0 GDADMN O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833354544 601548938 /nfs/dbraw/zinc/54/89/38/601548938.db2.gz IAVGFNKHAZKAPX-UHFFFAOYSA-N 0 1 377.466 1.476 20 0 GDADMN Cc1ccc2cccc(S(=O)(=O)N3CC[NH+]([C@H](C)CC(=O)[O-])CC3)c2n1 ZINC000832962024 601562972 /nfs/dbraw/zinc/56/29/72/601562972.db2.gz OHQFWYIJORSGNC-CQSZACIVSA-N 0 1 377.466 1.713 20 0 GDADMN COC(=O)Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@H](C)[C@H]3C)nc(=O)c12 ZINC000831189216 601566775 /nfs/dbraw/zinc/56/67/75/601566775.db2.gz USKLMZPVESLVID-DTWKUNHWSA-N 0 1 379.438 1.629 20 0 GDADMN COC(=O)Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@H](C)[C@H]3C)nc(=O)c12 ZINC000831189216 601566777 /nfs/dbraw/zinc/56/67/77/601566777.db2.gz USKLMZPVESLVID-DTWKUNHWSA-N 0 1 379.438 1.629 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[N@H+]1C1CC1 ZINC000828169277 601570881 /nfs/dbraw/zinc/57/08/81/601570881.db2.gz SYRJYFGMWOROJK-MWLCHTKSSA-N 0 1 397.378 1.666 20 0 GDADMN COC(=O)N1CCC[C@H](Nc2nc(N[C@H]3CCCN(C(=O)[O-])C3)[nH+]cc2C)C1 ZINC000831204141 601588333 /nfs/dbraw/zinc/58/83/33/601588333.db2.gz OQCZINDIDMUBGJ-KBPBESRZSA-N 0 1 392.460 1.982 20 0 GDADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N[C@@H](CC(=O)[O-])C3CC3)cc2)CC1 ZINC000829770728 601622148 /nfs/dbraw/zinc/62/21/48/601622148.db2.gz MUFGDAKEWGFNJG-KRWDZBQOSA-N 0 1 388.468 1.839 20 0 GDADMN C[C@@H]1CN(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828353921 601650527 /nfs/dbraw/zinc/65/05/27/601650527.db2.gz BYFSHIVXZRACMI-NZSAHSFTSA-N 0 1 388.512 1.727 20 0 GDADMN C[C@@H]1CN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828353921 601650529 /nfs/dbraw/zinc/65/05/29/601650529.db2.gz BYFSHIVXZRACMI-NZSAHSFTSA-N 0 1 388.512 1.727 20 0 GDADMN C[C@@H]1CN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828353921 601650530 /nfs/dbraw/zinc/65/05/30/601650530.db2.gz BYFSHIVXZRACMI-NZSAHSFTSA-N 0 1 388.512 1.727 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(C)c1OCC(=O)[O-] ZINC000832863385 601674811 /nfs/dbraw/zinc/67/48/11/601674811.db2.gz OBXSWFUMPVCJIB-QGZVFWFLSA-N 0 1 378.469 1.853 20 0 GDADMN COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C2)cc(OC)c1 ZINC000831995385 601681978 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JKCLLAISWFQSRX-NRFANRHFSA-N 0 1 389.496 1.774 20 0 GDADMN O=C(CN1CCSC1=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833108990 601734832 /nfs/dbraw/zinc/73/48/32/601734832.db2.gz CVXLVTFSHWTHAN-GOSISDBHSA-N 0 1 377.466 1.391 20 0 GDADMN NC(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000833084006 601740809 /nfs/dbraw/zinc/74/08/09/601740809.db2.gz FUUSLPYHYQBDTR-LJQANCHMSA-N 0 1 387.461 1.696 20 0 GDADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000832900372 601768780 /nfs/dbraw/zinc/76/87/80/601768780.db2.gz ADQKJNLWZGRLJX-CJNGLKHVSA-N 0 1 377.441 1.242 20 0 GDADMN O=C([O-])C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000833217386 601773678 /nfs/dbraw/zinc/77/36/78/601773678.db2.gz HUBDOHIQCWBOLK-ROUUACIJSA-N 0 1 375.469 1.436 20 0 GDADMN C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000827654078 601777834 /nfs/dbraw/zinc/77/78/34/601777834.db2.gz YFMMVVYHXXSSQG-JQHSSLGASA-N 0 1 391.468 1.161 20 0 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379.461 1.934 20 0 GDADMN C[N@H+]1CCC[C@@H](CNC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[O-])C1 ZINC000739731967 602647394 /nfs/dbraw/zinc/64/73/94/602647394.db2.gz YYUVPJDLEDDXAJ-HKUYNNGSSA-N 0 1 399.495 1.568 20 0 GDADMN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000739727552 602656074 /nfs/dbraw/zinc/65/60/74/602656074.db2.gz PLODGCQTIYITQI-IAGOWNOFSA-N 0 1 381.521 1.330 20 0 GDADMN O=C([O-])N1CCCc2cc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)ccc21 ZINC000740464632 602659520 /nfs/dbraw/zinc/65/95/20/602659520.db2.gz KWLLYXWNZANHFJ-DOTOQJQBSA-N 0 1 386.452 1.799 20 0 GDADMN CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3CCN(C(=O)[O-])CC3)CC2)CC1 ZINC000737853126 602678047 /nfs/dbraw/zinc/67/80/47/602678047.db2.gz ITUARBBHISCQOA-UHFFFAOYSA-N 0 1 394.516 1.169 20 0 GDADMN C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825870507 607580413 /nfs/dbraw/zinc/58/04/13/607580413.db2.gz PDGFESRTFJITGT-UHFFFAOYSA-N 0 1 390.444 1.546 20 0 GDADMN 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ZINC000834087934 606015012 /nfs/dbraw/zinc/01/50/12/606015012.db2.gz UILLFXUCTPIHQY-KXBFYZLASA-N 0 1 375.425 1.081 20 0 GDADMN C[C@H]1[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCN1C(=O)[O-] ZINC000833826351 606040604 /nfs/dbraw/zinc/04/06/04/606040604.db2.gz GUESOYIPJLVRMQ-QWRGUYRKSA-N 0 1 382.848 1.840 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O ZINC000821254967 606129718 /nfs/dbraw/zinc/12/97/18/606129718.db2.gz QTCKTNYXEXYHNE-JTQLQIEISA-N 0 1 377.474 1.246 20 0 GDADMN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821254967 606129720 /nfs/dbraw/zinc/12/97/20/606129720.db2.gz QTCKTNYXEXYHNE-JTQLQIEISA-N 0 1 377.474 1.246 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821254967 606129722 /nfs/dbraw/zinc/12/97/22/606129722.db2.gz QTCKTNYXEXYHNE-JTQLQIEISA-N 0 1 377.474 1.246 20 0 GDADMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821586177 606175847 /nfs/dbraw/zinc/17/58/47/606175847.db2.gz 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O=S(=O)(Nc1cc(-c2nn[nH]n2)ccc1O)c1ccc2c(c1)OCCO2 ZINC000823583293 606338066 /nfs/dbraw/zinc/33/80/66/606338066.db2.gz LMFIHZXVQIRNTG-UHFFFAOYSA-N 0 1 375.366 1.144 20 0 GDADMN NC(=O)CC[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822865081 606489659 /nfs/dbraw/zinc/48/96/59/606489659.db2.gz URRFTDUDCWJFQS-NSHDSACASA-N 0 1 380.399 1.946 20 0 GDADMN CN(CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821600341 606500619 /nfs/dbraw/zinc/50/06/19/606500619.db2.gz INMRZBKCXWKEOT-DLBZAZTESA-N 0 1 393.513 1.923 20 0 GDADMN C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC000821587082 606539504 /nfs/dbraw/zinc/53/95/04/606539504.db2.gz FWNDZHVKMIJRGB-UHFFFAOYSA-N 0 1 399.436 1.650 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C(=O)OC2CCCC2)cc1-c1nn[nH]n1 ZINC000821979100 606585399 /nfs/dbraw/zinc/58/53/99/606585399.db2.gz PKIWIRKVBQFCAK-QMMMGPOBSA-N 0 1 392.441 1.293 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC000821979753 606600394 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GDADMN CC(=O)c1ccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc1 ZINC000819833686 606749847 /nfs/dbraw/zinc/74/98/47/606749847.db2.gz KCQMINYUCAZRCK-UHFFFAOYSA-N 0 1 386.437 1.936 20 0 GDADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1F ZINC000821669257 606787985 /nfs/dbraw/zinc/78/79/85/606787985.db2.gz CMVGKJJNMCMWHC-UHFFFAOYSA-N 0 1 391.384 1.902 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)CNc2ccccc2)cc1-c1nn[nH]n1 ZINC000821970186 606817355 /nfs/dbraw/zinc/81/73/55/606817355.db2.gz KKZGBMHLNPMIHA-SNVBAGLBSA-N 0 1 385.453 1.920 20 0 GDADMN C[C@H]1CC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)O1 ZINC000820678596 606865171 /nfs/dbraw/zinc/86/51/71/606865171.db2.gz WELYVYYKZYGZKF-AAEUAGOBSA-N 0 1 399.411 1.331 20 0 GDADMN Cc1noc(C)c1CCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822522768 606896048 /nfs/dbraw/zinc/89/60/48/606896048.db2.gz MRCZDRKWJDUBJD-UHFFFAOYSA-N 0 1 398.395 1.661 20 0 GDADMN O[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)COc1ccccc1Br ZINC000823689101 607008240 /nfs/dbraw/zinc/00/82/40/607008240.db2.gz ALDXPVXKKIOXQC-SNVBAGLBSA-N 0 1 394.229 1.752 20 0 GDADMN COc1ccc(CNCCS(=O)(=O)c2ccc(F)cc2)cc1-c1nn[nH]n1 ZINC000821814183 607009797 /nfs/dbraw/zinc/00/97/97/607009797.db2.gz VUWQKJMOCRGYAF-UHFFFAOYSA-N 0 1 391.428 1.578 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1OCC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000822221634 607030280 /nfs/dbraw/zinc/03/02/80/607030280.db2.gz YHBVFXZHBALREU-INIZCTEOSA-N 0 1 388.472 1.027 20 0 GDADMN O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000823705351 607129433 /nfs/dbraw/zinc/12/94/33/607129433.db2.gz GFVWFLNQZMGJQQ-SJORKVTESA-N 0 1 394.483 1.990 20 0 GDADMN O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000823705351 607129434 /nfs/dbraw/zinc/12/94/34/607129434.db2.gz GFVWFLNQZMGJQQ-SJORKVTESA-N 0 1 394.483 1.990 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1NC(=O)c1ccccc1 ZINC000823136136 607207695 /nfs/dbraw/zinc/20/76/95/607207695.db2.gz LOPAYDCUEDFTKP-UHFFFAOYSA-N 0 1 389.379 1.349 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000823132034 607208233 /nfs/dbraw/zinc/20/82/33/607208233.db2.gz WESGCFRZEBPJJI-UHFFFAOYSA-N 0 1 395.358 1.101 20 0 GDADMN CCCN(CCC)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821099623 607209001 /nfs/dbraw/zinc/20/90/01/607209001.db2.gz LPSMAJWADLFEKY-UHFFFAOYSA-N 0 1 397.443 1.359 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCc2cc(OC(F)F)ccc21 ZINC000823127190 607210566 /nfs/dbraw/zinc/21/05/66/607210566.db2.gz WDTSQGRINBZIEJ-UHFFFAOYSA-N 0 1 376.327 1.039 20 0 GDADMN COc1ccccc1SC[C@@H](C)CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821903976 607214541 /nfs/dbraw/zinc/21/45/41/607214541.db2.gz PCYAPZNDXHKHFL-NSHDSACASA-N 0 1 388.457 1.011 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCO[C@@H]1CCCc2ccccc21 ZINC000823131616 607217340 /nfs/dbraw/zinc/21/73/40/607217340.db2.gz KFUWPWATHGCKNZ-OAHLLOKOSA-N 0 1 382.428 1.059 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1(c2cccc(Br)c2)CC1 ZINC000823125749 607219222 /nfs/dbraw/zinc/21/92/22/607219222.db2.gz CWHFXHYEUWWNQP-UHFFFAOYSA-N 0 1 389.217 1.026 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000823126925 607224037 /nfs/dbraw/zinc/22/40/37/607224037.db2.gz NXFLOMCSAHHVEL-OAHLLOKOSA-N 0 1 395.814 1.412 20 0 GDADMN C[C@@H](O)CN(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000824707761 607827689 /nfs/dbraw/zinc/82/76/89/607827689.db2.gz VPHKKHNJADVYJT-CQSZACIVSA-N 0 1 393.513 1.656 20 0 GDADMN COCCOCCS(=O)(=O)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826161221 607846426 /nfs/dbraw/zinc/84/64/26/607846426.db2.gz YAIRHGBYVQKNGC-UHFFFAOYSA-N 0 1 395.363 1.290 20 0 GDADMN CO[C@@H]1CC[C@H]2OCCN(CCC(=O)Nc3sccc3-c3nn[nH]n3)[C@H]2C1 ZINC000826145324 607858986 /nfs/dbraw/zinc/85/89/86/607858986.db2.gz DHQJKBFTMKBCPJ-KWCYVHTRSA-N 0 1 392.485 1.525 20 0 GDADMN CC(=O)c1[nH]c(CCN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)nc1C ZINC000824033939 607958118 /nfs/dbraw/zinc/95/81/18/607958118.db2.gz DGQILKLUIFTJCP-UHFFFAOYSA-N 0 1 398.446 1.605 20 0 GDADMN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000824449865 608008159 /nfs/dbraw/zinc/00/81/59/608008159.db2.gz PREXQHDANNZPNO-MRVPVSSYSA-N 0 1 381.227 1.512 20 0 GDADMN CCCN(C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825307962 608019379 /nfs/dbraw/zinc/01/93/79/608019379.db2.gz RUBSEJVMLUVHBE-UHFFFAOYSA-N 0 1 397.487 1.840 20 0 GDADMN CCCN(C)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825307962 608019380 /nfs/dbraw/zinc/01/93/80/608019380.db2.gz RUBSEJVMLUVHBE-UHFFFAOYSA-N 0 1 397.487 1.840 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000826077685 608019672 /nfs/dbraw/zinc/01/96/72/608019672.db2.gz QPIKHTUOJXLBCL-KBPBESRZSA-N 0 1 396.455 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000826077685 608019673 /nfs/dbraw/zinc/01/96/73/608019673.db2.gz QPIKHTUOJXLBCL-KBPBESRZSA-N 0 1 396.455 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ncccc2OC(C)C)c1-c1nnn[n-]1 ZINC000826083835 608020102 /nfs/dbraw/zinc/02/01/02/608020102.db2.gz RXFDVFAWFWHBGZ-UHFFFAOYSA-N 0 1 385.432 1.176 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ncccc2OC(C)C)c1-c1nn[n-]n1 ZINC000826083835 608020103 /nfs/dbraw/zinc/02/01/03/608020103.db2.gz RXFDVFAWFWHBGZ-UHFFFAOYSA-N 0 1 385.432 1.176 20 0 GDADMN CNc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc(Cl)n1 ZINC000826077363 608021297 /nfs/dbraw/zinc/02/12/97/608021297.db2.gz FQDPTSXSXNGWKX-UHFFFAOYSA-N 0 1 390.839 1.084 20 0 GDADMN CNc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc(Cl)n1 ZINC000826077363 608021298 /nfs/dbraw/zinc/02/12/98/608021298.db2.gz FQDPTSXSXNGWKX-UHFFFAOYSA-N 0 1 390.839 1.084 20 0 GDADMN COc1cc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1SC ZINC000826178879 608036024 /nfs/dbraw/zinc/03/60/24/608036024.db2.gz PMYSZIGSUDYDPO-UHFFFAOYSA-N 0 1 388.501 1.967 20 0 GDADMN COc1cc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1SC ZINC000826178879 608036025 /nfs/dbraw/zinc/03/60/25/608036025.db2.gz PMYSZIGSUDYDPO-UHFFFAOYSA-N 0 1 388.501 1.967 20 0 GDADMN COc1cc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1SC ZINC000826178879 608036026 /nfs/dbraw/zinc/03/60/26/608036026.db2.gz PMYSZIGSUDYDPO-UHFFFAOYSA-N 0 1 388.501 1.967 20 0 GDADMN COc1cc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1SC ZINC000826178879 608036027 /nfs/dbraw/zinc/03/60/27/608036027.db2.gz PMYSZIGSUDYDPO-UHFFFAOYSA-N 0 1 388.501 1.967 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cnn(Cc2ccccc2)c1 ZINC000825935312 608037416 /nfs/dbraw/zinc/03/74/16/608037416.db2.gz ZXUQBVOLVNPXFP-UHFFFAOYSA-N 0 1 392.471 1.481 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cnn(Cc2ccccc2)c1 ZINC000825935312 608037417 /nfs/dbraw/zinc/03/74/17/608037417.db2.gz ZXUQBVOLVNPXFP-UHFFFAOYSA-N 0 1 392.471 1.481 20 0 GDADMN O=C(CCN1CCN(c2cncc(F)c2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407662 608041625 /nfs/dbraw/zinc/04/16/25/608041625.db2.gz WIYPVXQUNKOZCB-UHFFFAOYSA-N 0 1 396.430 1.552 20 0 GDADMN C[C@@H]1CN(CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CCN1C ZINC000824985005 608042350 /nfs/dbraw/zinc/04/23/50/608042350.db2.gz QDIFKSKAFMJUFN-GFCCVEGCSA-N 0 1 389.529 1.772 20 0 GDADMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826431422 608075891 /nfs/dbraw/zinc/07/58/91/608075891.db2.gz AMLDWJDEFJRJQT-CABCVRRESA-N 0 1 398.492 1.541 20 0 GDADMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826431422 608075892 /nfs/dbraw/zinc/07/58/92/608075892.db2.gz AMLDWJDEFJRJQT-CABCVRRESA-N 0 1 398.492 1.541 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1-c1nnn[n-]1 ZINC000826083751 608077100 /nfs/dbraw/zinc/07/71/00/608077100.db2.gz PSBNCELHWWYBFM-AWEZNQCLSA-N 0 1 396.455 1.498 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1-c1nn[n-]n1 ZINC000826083751 608077101 /nfs/dbraw/zinc/07/71/01/608077101.db2.gz PSBNCELHWWYBFM-AWEZNQCLSA-N 0 1 396.455 1.498 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)n[nH]1 ZINC000824358512 608096825 /nfs/dbraw/zinc/09/68/25/608096825.db2.gz MCXACUMXUTXXIE-QMMMGPOBSA-N 0 1 396.864 1.801 20 0 GDADMN NC(=O)[C@H](N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389461 608099902 /nfs/dbraw/zinc/09/99/02/608099902.db2.gz YWEPYQBWJMIGMC-CRAIPNDOSA-N 0 1 395.442 1.791 20 0 GDADMN O=C(c1cccc(F)n1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826474145 608117687 /nfs/dbraw/zinc/11/76/87/608117687.db2.gz CKLDCITVIVZHTF-UHFFFAOYSA-N 0 1 384.375 1.229 20 0 GDADMN CC(=O)N1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC12CCCCC2 ZINC000823981259 608255299 /nfs/dbraw/zinc/25/52/99/608255299.db2.gz KQEZDIPKVFHGEZ-SFHVURJKSA-N 0 1 384.484 1.767 20 0 GDADMN CCN1C[C@H](C)N(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000825443752 608314896 /nfs/dbraw/zinc/31/48/96/608314896.db2.gz FJELQYCEYUUJCH-RLFYNMQTSA-N 0 1 383.500 1.777 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826332583 608315806 /nfs/dbraw/zinc/31/58/06/608315806.db2.gz YLONPOBYACMYHA-AWEZNQCLSA-N 0 1 380.456 1.448 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826332583 608315807 /nfs/dbraw/zinc/31/58/07/608315807.db2.gz YLONPOBYACMYHA-AWEZNQCLSA-N 0 1 380.456 1.448 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826332583 608315809 /nfs/dbraw/zinc/31/58/09/608315809.db2.gz YLONPOBYACMYHA-AWEZNQCLSA-N 0 1 380.456 1.448 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826332583 608315811 /nfs/dbraw/zinc/31/58/11/608315811.db2.gz YLONPOBYACMYHA-AWEZNQCLSA-N 0 1 380.456 1.448 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CCC(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826332239 608322029 /nfs/dbraw/zinc/32/20/29/608322029.db2.gz OBLHBYRKVXAKPP-UHFFFAOYSA-N 0 1 394.483 1.838 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CCC(N)=O)CC2)c1-c1nn[n-]n1 ZINC000826332239 608322031 /nfs/dbraw/zinc/32/20/31/608322031.db2.gz OBLHBYRKVXAKPP-UHFFFAOYSA-N 0 1 394.483 1.838 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CONC(=N)[C@H]1COc2ccccc2O1 ZINC000826172974 608325451 /nfs/dbraw/zinc/32/54/51/608325451.db2.gz GTCQRDUZIUAWNS-MRXNPFEDSA-N 0 1 382.380 1.714 20 0 GDADMN CCC[C@H]1CN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825255568 608377992 /nfs/dbraw/zinc/37/79/92/608377992.db2.gz XMOSMMVTOHYYBZ-KRWDZBQOSA-N 0 1 387.488 1.238 20 0 GDADMN COC(=O)C1(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000826125031 608461361 /nfs/dbraw/zinc/46/13/61/608461361.db2.gz ZNIAOSJXAFHODG-CYBMUJFWSA-N 0 1 386.456 1.509 20 0 GDADMN NC(=O)CCC1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000826391030 608469211 /nfs/dbraw/zinc/46/92/11/608469211.db2.gz URQUCKFVQPLIIP-UHFFFAOYSA-N 0 1 382.428 1.394 20 0 GDADMN CN(CC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCSC1 ZINC000825887421 608484907 /nfs/dbraw/zinc/48/49/07/608484907.db2.gz GNHDCVGOWSFRTR-KRWDZBQOSA-N 0 1 384.509 1.920 20 0 GDADMN C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nn[nH]n2)c1 ZINC000824578144 608487576 /nfs/dbraw/zinc/48/75/76/608487576.db2.gz RIAMAHDTWYREAT-LLVKDONJSA-N 0 1 383.437 1.539 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc3cccnc32)c1-c1nnn[n-]1 ZINC000826077892 608528603 /nfs/dbraw/zinc/52/86/03/608528603.db2.gz ZCMUIJRHPRDZJE-UHFFFAOYSA-N 0 1 395.402 1.681 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc3cccnc32)c1-c1nn[n-]n1 ZINC000826077892 608528604 /nfs/dbraw/zinc/52/86/04/608528604.db2.gz ZCMUIJRHPRDZJE-UHFFFAOYSA-N 0 1 395.402 1.681 20 0 GDADMN CN1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826034489 608564593 /nfs/dbraw/zinc/56/45/93/608564593.db2.gz SFGGNQLHNNZLRQ-SECBINFHSA-N 0 1 390.391 1.258 20 0 GDADMN C[C@H](O)CC(C)(C)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824689566 608566517 /nfs/dbraw/zinc/56/65/17/608566517.db2.gz MQSSUTBMVKDVBW-QMMMGPOBSA-N 0 1 375.401 1.220 20 0 GDADMN C[C@H](NCc1ccc(F)cc1-c1nn[nH]n1)c1cccc(S(N)(=O)=O)c1 ZINC000824618949 608576370 /nfs/dbraw/zinc/57/63/70/608576370.db2.gz SNADASXVZPBIHP-JTQLQIEISA-N 0 1 376.417 1.504 20 0 GDADMN C[C@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc([S@@](C)=O)cc1 ZINC000824564493 608579086 /nfs/dbraw/zinc/57/90/86/608579086.db2.gz URIFMZIQTFUZNH-RSNKEIGGSA-N 0 1 390.494 1.955 20 0 GDADMN c1cc2c(c(CN3CCN(c4oc(C5CC5)nc4-c4nn[nH]n4)CC3)c1)OCO2 ZINC000826515896 608590925 /nfs/dbraw/zinc/59/09/25/608590925.db2.gz OURWNMCDXWZQJG-UHFFFAOYSA-N 0 1 395.423 1.783 20 0 GDADMN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cnc3ccc(-c4nn[nH]n4)cn13)CC2 ZINC000825582544 608722811 /nfs/dbraw/zinc/72/28/11/608722811.db2.gz LAZOXJXSQKCJAV-JKSUJKDBSA-N 0 1 383.456 1.266 20 0 GDADMN Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256814 609153111 /nfs/dbraw/zinc/15/31/11/609153111.db2.gz BBXDAYDMYXXXNU-CQSZACIVSA-N 0 1 380.456 1.385 20 0 GDADMN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826366614 609168333 /nfs/dbraw/zinc/16/83/33/609168333.db2.gz QFBOCHRFVAZQHQ-IAGOWNOFSA-N 0 1 392.467 1.763 20 0 GDADMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826334060 609169641 /nfs/dbraw/zinc/16/96/41/609169641.db2.gz GILRMFOMPOBGKO-PXAZEXFGSA-N 0 1 380.456 1.755 20 0 GDADMN C[C@]1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCCOC1 ZINC000824784232 609294144 /nfs/dbraw/zinc/29/41/44/609294144.db2.gz PIYUASITSRJDNQ-SFHVURJKSA-N 0 1 387.444 1.197 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)Nc1cc(C(C)=O)ccc1O ZINC000826174610 609296575 /nfs/dbraw/zinc/29/65/75/609296575.db2.gz CSHJYFRIMLOWQR-UHFFFAOYSA-N 0 1 383.364 1.801 20 0 GDADMN CC[NH+]1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000825452814 609298122 /nfs/dbraw/zinc/29/81/22/609298122.db2.gz QJSWVGRXWBUDTK-UHFFFAOYSA-N 0 1 377.474 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1-c1nn[nH]n1 ZINC000826229893 609298795 /nfs/dbraw/zinc/29/87/95/609298795.db2.gz VXCXCFJPRBKPPZ-UHFFFAOYSA-N 0 1 396.396 1.122 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1-c1nn[nH]n1 ZINC000826229534 609399675 /nfs/dbraw/zinc/39/96/75/609399675.db2.gz IEWOSEFZEGYNKR-SNVBAGLBSA-N 0 1 378.458 1.765 20 0 GDADMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCN2C2CC2)c1 ZINC000826215439 609403352 /nfs/dbraw/zinc/40/33/52/609403352.db2.gz OSLBWBYFVJHSIC-QAPCUYQASA-N 0 1 393.451 1.911 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)Cc2ccccc2)cc1-c1nn[nH]n1 ZINC000826229470 609405204 /nfs/dbraw/zinc/40/52/04/609405204.db2.gz GATJEUZPDXORDX-LLVKDONJSA-N 0 1 386.437 1.023 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1sccc1-c1nn[n-]n1 ZINC000826443488 609425414 /nfs/dbraw/zinc/42/54/14/609425414.db2.gz RGGBSNOWDBXCOE-CQSZACIVSA-N 0 1 384.465 1.425 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1sccc1-c1nn[n-]n1 ZINC000826443488 609425416 /nfs/dbraw/zinc/42/54/16/609425416.db2.gz RGGBSNOWDBXCOE-CQSZACIVSA-N 0 1 384.465 1.425 20 0 GDADMN C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824516973 609456587 /nfs/dbraw/zinc/45/65/87/609456587.db2.gz ZHUPHZSUERJDNJ-PBHICJAKSA-N 0 1 377.452 1.902 20 0 GDADMN 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SPDDGZZXUXCSSM-BBBLOLIVSA-N 0 1 386.803 1.443 20 0 GDADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)NN3C[C@@H]4CCC[C@@H]4C3)CC2)o1 ZINC001571273384 945685471 /nfs/dbraw/zinc/68/54/71/945685471.db2.gz WPDPRHQJDPXVCU-OKILXGFUSA-N 0 1 386.460 1.143 20 0 GDADMN O=C(NC[C@H]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1nccs1 ZINC001571282746 945857559 /nfs/dbraw/zinc/85/75/59/945857559.db2.gz PNYSHONJMBBDCZ-LLVKDONJSA-N 0 1 387.444 1.714 20 0 GDADMN Cc1cc(C(=O)N(C)C2CC(Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)n[nH]1 ZINC001571283151 945876293 /nfs/dbraw/zinc/87/62/93/945876293.db2.gz AECYCGONLPYYAG-UHFFFAOYSA-N 0 1 387.835 1.662 20 0 GDADMN CC[C@@H](C(=O)N1CCC(CC)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[NH+](C)C ZINC001571283379 945884574 /nfs/dbraw/zinc/88/45/74/945884574.db2.gz DOOGMKATSLMUFI-AWEZNQCLSA-N 0 1 387.492 1.180 20 0 GDADMN O=C(NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)c1cc(C(F)F)n[nH]1 ZINC001571285815 945927915 /nfs/dbraw/zinc/92/79/15/945927915.db2.gz ORVOWEUDMUZZBQ-UHFFFAOYSA-N 0 1 388.382 1.389 20 0 GDADMN O=C(NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1)C1CCOCC1 ZINC001571287816 945977765 /nfs/dbraw/zinc/97/77/65/945977765.db2.gz IPJRXOSOPKXSGO-UHFFFAOYSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)[C@H]1CCCO1 ZINC001571289598 946012620 /nfs/dbraw/zinc/01/26/20/946012620.db2.gz IMSWWMODRGSMRT-LDYHSIQDSA-N 0 1 388.497 1.290 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)[C@H]1CCCO1 ZINC001571289598 946012633 /nfs/dbraw/zinc/01/26/33/946012633.db2.gz IMSWWMODRGSMRT-LDYHSIQDSA-N 0 1 388.497 1.290 20 0 GDADMN Cc1ccc2nc(CNS(=O)(=O)Cc3cccc(-c4nn[nH]n4)c3)[nH]c2c1 ZINC000822271344 946038678 /nfs/dbraw/zinc/03/86/78/946038678.db2.gz XZMZWYBMVAJHOF-UHFFFAOYSA-N 0 1 383.437 1.671 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccoc1Cl ZINC001571290651 946049684 /nfs/dbraw/zinc/04/96/84/946049684.db2.gz KVORYUHIAUNKJO-UWVGGRQHSA-N 0 1 388.819 1.336 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571290680 946051335 /nfs/dbraw/zinc/05/13/35/946051335.db2.gz LPUMRBNFQBNNGE-JTQLQIEISA-N 0 1 388.819 1.502 20 0 GDADMN O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290663 946051726 /nfs/dbraw/zinc/05/17/26/946051726.db2.gz LCYSOHYWCKRVIS-UYHMYPTGSA-N 0 1 388.497 1.291 20 0 GDADMN O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290663 946051739 /nfs/dbraw/zinc/05/17/39/946051739.db2.gz LCYSOHYWCKRVIS-UYHMYPTGSA-N 0 1 388.497 1.291 20 0 GDADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(F)c(Cl)c1 ZINC001571290825 946058282 /nfs/dbraw/zinc/05/82/82/946058282.db2.gz QCTMYIPCPVDZTQ-JTQLQIEISA-N 0 1 388.794 1.458 20 0 GDADMN Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)ns1 ZINC001571294535 946136389 /nfs/dbraw/zinc/13/63/89/946136389.db2.gz IMKPGEQIFKWORD-XYPYZODXSA-N 0 1 389.510 1.991 20 0 GDADMN Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)ns1 ZINC001571294535 946136397 /nfs/dbraw/zinc/13/63/97/946136397.db2.gz IMKPGEQIFKWORD-XYPYZODXSA-N 0 1 389.510 1.991 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C1(c2ccccn2)CC1 ZINC001571295405 946162479 /nfs/dbraw/zinc/16/24/79/946162479.db2.gz SBBXJSRPYVNBDU-KRWDZBQOSA-N 0 1 389.463 1.684 20 0 GDADMN Cc1nscc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001571295597 946168673 /nfs/dbraw/zinc/16/86/73/946168673.db2.gz YTOUNEZBMHWRFX-NOZJJQNGSA-N 0 1 389.510 1.943 20 0 GDADMN O=C(N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2)[C@H]1C[C@@H]1C(F)F ZINC001571296011 946182457 /nfs/dbraw/zinc/18/24/57/946182457.db2.gz MAXWWEGJFGNKBP-YBIKONCISA-N 0 1 390.398 1.033 20 0 GDADMN CC[C@H](OC)C(=O)N1CC[C@H](CN(C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571298307 946213917 /nfs/dbraw/zinc/21/39/17/946213917.db2.gz NERDDNRSRXVPAO-DYVFJYSZSA-N 0 1 390.463 1.711 20 0 GDADMN O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1n[nH]cc1F ZINC001571298341 946214590 /nfs/dbraw/zinc/21/45/90/946214590.db2.gz FBALXNSXKFWVBK-UWVGGRQHSA-N 0 1 390.448 1.621 20 0 GDADMN O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1n[nH]cc1F ZINC001571298341 946214598 /nfs/dbraw/zinc/21/45/98/946214598.db2.gz FBALXNSXKFWVBK-UWVGGRQHSA-N 0 1 390.448 1.621 20 0 GDADMN C[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571298505 946219521 /nfs/dbraw/zinc/21/95/21/946219521.db2.gz PMNVTDZEAOVKGI-ZJUUUORDSA-N 0 1 390.498 1.278 20 0 GDADMN C[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571298505 946219532 /nfs/dbraw/zinc/21/95/32/946219532.db2.gz PMNVTDZEAOVKGI-ZJUUUORDSA-N 0 1 390.498 1.278 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)ccn1 ZINC001571299031 946237494 /nfs/dbraw/zinc/23/74/94/946237494.db2.gz HMANMLAHIIIHCB-SNVBAGLBSA-N 0 1 390.860 1.689 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571299719 946259786 /nfs/dbraw/zinc/25/97/86/946259786.db2.gz ZNSZGPXIHPEFHF-QCEMKRCNSA-N 0 1 390.451 1.189 20 0 GDADMN Cc1nnsc1C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299670 946260221 /nfs/dbraw/zinc/26/02/21/946260221.db2.gz YXVUSLHNTGVKQL-UHFFFAOYSA-N 0 1 390.498 1.483 20 0 GDADMN Cc1nnsc1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299670 946260227 /nfs/dbraw/zinc/26/02/27/946260227.db2.gz YXVUSLHNTGVKQL-UHFFFAOYSA-N 0 1 390.498 1.483 20 0 GDADMN C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCCO1 ZINC001571299866 946264894 /nfs/dbraw/zinc/26/48/94/946264894.db2.gz PSNVMFIEVSXOEM-WFASDCNBSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@@H]1CCCO1 ZINC001571299866 946264903 /nfs/dbraw/zinc/26/49/03/946264903.db2.gz PSNVMFIEVSXOEM-WFASDCNBSA-N 0 1 390.513 1.824 20 0 GDADMN CN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299952 946265971 /nfs/dbraw/zinc/26/59/71/946265971.db2.gz RVILLVDQROQUKW-OBJOEFQTSA-N 0 1 390.879 1.459 20 0 GDADMN O=C(NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1nc(Cl)cs1 ZINC001571300332 946280507 /nfs/dbraw/zinc/28/05/07/946280507.db2.gz ZVPSCSBUVXYKAX-UHFFFAOYSA-N 0 1 390.860 1.414 20 0 GDADMN CC(=O)N[C@H]1C[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)Oc2ccccc21 ZINC001573493014 946295735 /nfs/dbraw/zinc/29/57/35/946295735.db2.gz FTPBHFBQZZFEIZ-LIRRHRJNSA-N 0 1 392.423 1.266 20 0 GDADMN Cc1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)cc1C ZINC001571303101 946326793 /nfs/dbraw/zinc/32/67/93/946326793.db2.gz LNLCQVFMUPDIJW-IPYPFGDCSA-N 0 1 391.439 1.208 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)nc1C ZINC001571303271 946331693 /nfs/dbraw/zinc/33/16/93/946331693.db2.gz MVWLCRMFSUVABC-YUELXQCFSA-N 0 1 391.439 1.208 20 0 GDADMN CCc1ccnc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571312776 946500736 /nfs/dbraw/zinc/50/07/36/946500736.db2.gz CWRBEWVENVACGL-HNNXBMFYSA-N 0 1 392.467 1.878 20 0 GDADMN Cc1cc(C)nc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571315444 946553149 /nfs/dbraw/zinc/55/31/49/946553149.db2.gz KXTCMPDKNKVKLP-HNNXBMFYSA-N 0 1 392.467 1.721 20 0 GDADMN Cc1ccc(CC(=O)N2CCC(N(C)c3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001571315816 946558024 /nfs/dbraw/zinc/55/80/24/946558024.db2.gz OUQVWPNPKZRTKC-UHFFFAOYSA-N 0 1 392.467 1.635 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ccn1 ZINC001571316148 946566609 /nfs/dbraw/zinc/56/66/09/946566609.db2.gz UXNUHAXKBNKRFS-HNNXBMFYSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1cc(N[C@@H]2CCC[C@@H](NC(=O)Cc3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316292 946571719 /nfs/dbraw/zinc/57/17/19/946571719.db2.gz YNMLPDDFJQDQKO-HZPDHXFCSA-N 0 1 392.467 1.469 20 0 GDADMN Cc1cnccc1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571317084 946597722 /nfs/dbraw/zinc/59/77/22/946597722.db2.gz VBLFAPDYOGBZPH-ZBFHGGJFSA-N 0 1 392.467 1.421 20 0 GDADMN Cn1ccc(C(=O)N2CC[C@H](CNc3nc(-c4nn[nH]n4)c(Cl)s3)C2)c1 ZINC001571317497 946611644 /nfs/dbraw/zinc/61/16/44/946611644.db2.gz KBFRUPWBVCUFDY-SECBINFHSA-N 0 1 392.876 1.889 20 0 GDADMN C[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568767 946806887 /nfs/dbraw/zinc/80/68/87/946806887.db2.gz CKJLHQSOAXONSA-SMDDNHRTSA-N 0 1 393.494 1.414 20 0 GDADMN CC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1ccsc1-c1nn[nH]n1)C2 ZINC001573556129 946922123 /nfs/dbraw/zinc/92/21/23/946922123.db2.gz XBKHQVCARUAOCV-UHFFFAOYSA-N 0 1 375.435 1.835 20 0 GDADMN CC1(C)CC[C@H]2C[C@@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c3cccc1c32 ZINC000824801710 946937479 /nfs/dbraw/zinc/93/74/79/946937479.db2.gz GXCACAZRZJDWIH-SMDDNHRTSA-N 0 1 378.440 1.874 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](C)c1ccccc1F ZINC001573586195 947280791 /nfs/dbraw/zinc/28/07/91/947280791.db2.gz LNJSHKBRGMZPHT-VXGBXAGGSA-N 0 1 384.419 1.280 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573592960 947356348 /nfs/dbraw/zinc/35/63/48/947356348.db2.gz OTMFQEYPJNYOIJ-JSGCOSHPSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573592960 947356357 /nfs/dbraw/zinc/35/63/57/947356357.db2.gz OTMFQEYPJNYOIJ-JSGCOSHPSA-N 0 1 392.529 1.616 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc(C(C)(C)C)cs1 ZINC000825937946 947377521 /nfs/dbraw/zinc/37/75/21/947377521.db2.gz KOIRNLQWCAJWIM-UHFFFAOYSA-N 0 1 375.506 1.991 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573594873 947410805 /nfs/dbraw/zinc/41/08/05/947410805.db2.gz DCWLFSMWMSHPKS-WFASDCNBSA-N 0 1 392.479 1.597 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573613787 947570639 /nfs/dbraw/zinc/57/06/39/947570639.db2.gz IUYIZYBWWKGVRG-OLMNPRSZSA-N 0 1 392.467 1.500 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573614811 947594048 /nfs/dbraw/zinc/59/40/48/947594048.db2.gz HMYIRTINTTZTKU-NEPJUHHUSA-N 0 1 384.469 1.204 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573615703 947610184 /nfs/dbraw/zinc/61/01/84/947610184.db2.gz JUUIBBBCZZSPGY-ZIAGYGMSSA-N 0 1 384.488 1.768 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573354858 947636408 /nfs/dbraw/zinc/63/64/08/947636408.db2.gz IYWYXJIEVPHLQC-AWEZNQCLSA-N 0 1 384.465 1.452 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1-c1nn[nH]n1 ZINC000826229360 947672435 /nfs/dbraw/zinc/67/24/35/947672435.db2.gz BAJMZONGDFIMJH-GFCCVEGCSA-N 0 1 397.464 1.789 20 0 GDADMN C[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1cccs1 ZINC001573626271 947705590 /nfs/dbraw/zinc/70/55/90/947705590.db2.gz SJYWXLIQQZQICN-LLVKDONJSA-N 0 1 384.469 1.347 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(F)c1 ZINC001573626556 947711655 /nfs/dbraw/zinc/71/16/55/947711655.db2.gz VHCMLDPOJPTBLZ-SMDDNHRTSA-N 0 1 382.403 1.034 20 0 GDADMN C[C@@H](C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)C1CC1 ZINC001573627154 947718997 /nfs/dbraw/zinc/71/89/97/947718997.db2.gz ZOTAITNLPZITRC-GFCCVEGCSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)C1CC1 ZINC001573627154 947719002 /nfs/dbraw/zinc/71/90/02/947719002.db2.gz ZOTAITNLPZITRC-GFCCVEGCSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573627501 947724482 /nfs/dbraw/zinc/72/44/82/947724482.db2.gz CQXPYWQPPWPFQB-HIFRSBDPSA-N 0 1 384.488 1.910 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259169 947745914 /nfs/dbraw/zinc/74/59/14/947745914.db2.gz JYIOMWAQWFHJQO-AWEZNQCLSA-N 0 1 378.440 1.327 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001573368848 947771028 /nfs/dbraw/zinc/77/10/28/947771028.db2.gz PZSDYBHHZIAQER-BLLLJJGKSA-N 0 1 388.447 1.844 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573629248 947775072 /nfs/dbraw/zinc/77/50/72/947775072.db2.gz MZDSLIGLDQSLKH-KBPBESRZSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@H](C(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573629390 947780329 /nfs/dbraw/zinc/78/03/29/947780329.db2.gz SSBJOCAYGNZTHW-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573376395 947836770 /nfs/dbraw/zinc/83/67/70/947836770.db2.gz ZRRDINUASOSXSD-MRXNPFEDSA-N 0 1 384.484 1.906 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573381146 947868368 /nfs/dbraw/zinc/86/83/68/947868368.db2.gz OSQQWVGJAZKQSV-CQSZACIVSA-N 0 1 386.460 1.281 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573645774 947869378 /nfs/dbraw/zinc/86/93/78/947869378.db2.gz AYKREOCGCQAQHY-CABZTGNLSA-N 0 1 386.353 1.895 20 0 GDADMN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1-c1nn[nH]n1 ZINC000826299643 947870315 /nfs/dbraw/zinc/87/03/15/947870315.db2.gz OAGAPKUTQKJDFL-UHFFFAOYSA-N 0 1 384.421 1.262 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccn1 ZINC001573650956 947916163 /nfs/dbraw/zinc/91/61/63/947916163.db2.gz GMWCSJXXTXLEON-ZTFGCOKTSA-N 0 1 392.467 1.357 20 0 GDADMN C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573651692 947924159 /nfs/dbraw/zinc/92/41/59/947924159.db2.gz OYXXUUXCCDNAJJ-HGNGGELXSA-N 0 1 379.877 1.812 20 0 GDADMN C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CCC1 ZINC001573653278 947955248 /nfs/dbraw/zinc/95/52/48/947955248.db2.gz KIKLBEZAGZUBAJ-DOMZBBRYSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](C(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)C(C)(F)F ZINC001573654253 947963452 /nfs/dbraw/zinc/96/34/52/947963452.db2.gz QGCCWAUHBLHJCI-QLJPJBMISA-N 0 1 379.415 1.672 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccs2)c1-c1nnn[n-]1 ZINC000826343542 947993658 /nfs/dbraw/zinc/99/36/58/947993658.db2.gz FRJJZSPWLAZNON-UHFFFAOYSA-N 0 1 375.458 1.358 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccs2)c1-c1nn[n-]n1 ZINC000826343542 947993665 /nfs/dbraw/zinc/99/36/65/947993665.db2.gz FRJJZSPWLAZNON-UHFFFAOYSA-N 0 1 375.458 1.358 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346309 948037502 /nfs/dbraw/zinc/03/75/02/948037502.db2.gz JGPLRYMOOBHTEK-CJNGLKHVSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346309 948037509 /nfs/dbraw/zinc/03/75/09/948037509.db2.gz JGPLRYMOOBHTEK-CJNGLKHVSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346309 948037517 /nfs/dbraw/zinc/03/75/17/948037517.db2.gz JGPLRYMOOBHTEK-CJNGLKHVSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346309 948037523 /nfs/dbraw/zinc/03/75/23/948037523.db2.gz JGPLRYMOOBHTEK-CJNGLKHVSA-N 0 1 395.467 1.875 20 0 GDADMN C[C@@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1)C1CCC1 ZINC001573664658 948058243 /nfs/dbraw/zinc/05/82/43/948058243.db2.gz WFJNUMUXXMLDIC-CYBMUJFWSA-N 0 1 385.472 1.197 20 0 GDADMN Cc1onc(CC(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1-c1nnn[n-]1 ZINC000826347864 948059794 /nfs/dbraw/zinc/05/97/94/948059794.db2.gz JKXGVDPJRULPMD-UHFFFAOYSA-N 0 1 383.456 1.862 20 0 GDADMN Cc1onc(CC(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1-c1nnn[n-]1 ZINC000826347864 948059803 /nfs/dbraw/zinc/05/98/03/948059803.db2.gz JKXGVDPJRULPMD-UHFFFAOYSA-N 0 1 383.456 1.862 20 0 GDADMN Cc1onc(CC(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1-c1nn[n-]n1 ZINC000826347864 948059811 /nfs/dbraw/zinc/05/98/11/948059811.db2.gz JKXGVDPJRULPMD-UHFFFAOYSA-N 0 1 383.456 1.862 20 0 GDADMN Cc1onc(CC(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1-c1nn[n-]n1 ZINC000826347864 948059820 /nfs/dbraw/zinc/05/98/20/948059820.db2.gz JKXGVDPJRULPMD-UHFFFAOYSA-N 0 1 383.456 1.862 20 0 GDADMN C[C@@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573665321 948071180 /nfs/dbraw/zinc/07/11/80/948071180.db2.gz KRJYDEKNXFCKBD-PNESKVBLSA-N 0 1 382.428 1.315 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573665527 948074940 /nfs/dbraw/zinc/07/49/40/948074940.db2.gz LYCPAWGQQPMPJN-MNOVXSKESA-N 0 1 380.403 1.423 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001573675434 948121398 /nfs/dbraw/zinc/12/13/98/948121398.db2.gz PZMMDMOYWIXBOT-GUYCJALGSA-N 0 1 380.456 1.094 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CCC1 ZINC001573675905 948123264 /nfs/dbraw/zinc/12/32/64/948123264.db2.gz RPFDKQNUDPNLJZ-OCCSQVGLSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCCO1 ZINC001573676183 948124848 /nfs/dbraw/zinc/12/48/48/948124848.db2.gz SJUKYBUKTHSUAE-DOMZBBRYSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573680374 948178871 /nfs/dbraw/zinc/17/88/71/948178871.db2.gz NMCUTSAQFQSTPA-RISCZKNCSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@@H](C(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CCC1 ZINC001573680505 948180838 /nfs/dbraw/zinc/18/08/38/948180838.db2.gz OFKCRNCVFWFZBZ-VXNVDRBHSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C(F)(F)F ZINC001573680748 948188312 /nfs/dbraw/zinc/18/83/12/948188312.db2.gz RLMWXLFGWDQNFY-IUCAKERBSA-N 0 1 384.366 1.186 20 0 GDADMN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573680885 948189652 /nfs/dbraw/zinc/18/96/52/948189652.db2.gz RGSNSJKWQOPKFU-DGCLKSJQSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573681895 948216177 /nfs/dbraw/zinc/21/61/77/948216177.db2.gz YOHYPPPGKPIFRX-IUODEOHRSA-N 0 1 390.463 1.399 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)c1cccnc1 ZINC001573693270 948278464 /nfs/dbraw/zinc/27/84/64/948278464.db2.gz VYFQCCGVHYINAI-LBPRGKRZSA-N 0 1 383.481 1.865 20 0 GDADMN C[C@H](C(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573694263 948292097 /nfs/dbraw/zinc/29/20/97/948292097.db2.gz BYQIYFXGQWGBJS-BUXKBTBVSA-N 0 1 388.447 1.105 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573714105 948468443 /nfs/dbraw/zinc/46/84/43/948468443.db2.gz DRSGQILCQKVZET-CABCVRRESA-N 0 1 392.467 1.793 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573714555 948474676 /nfs/dbraw/zinc/47/46/76/948474676.db2.gz ICYIDKKIOPRSSW-QWHCGFSZSA-N 0 1 382.428 1.386 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)n1cccc1 ZINC001573720146 948531381 /nfs/dbraw/zinc/53/13/81/948531381.db2.gz PCTZDIAESBIOAE-SECBINFHSA-N 0 1 380.865 1.592 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1ccco1 ZINC001573725958 948545777 /nfs/dbraw/zinc/54/57/77/948545777.db2.gz DIQGNTOYTJLMGN-JHJVBQTASA-N 0 1 382.428 1.242 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(F)(F)F ZINC001573752304 948713076 /nfs/dbraw/zinc/71/30/76/948713076.db2.gz MRJHDDXQFKCHFS-QAHWYCSRSA-N 0 1 386.403 1.673 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(F)(F)F ZINC001573752304 948713080 /nfs/dbraw/zinc/71/30/80/948713080.db2.gz MRJHDDXQFKCHFS-QAHWYCSRSA-N 0 1 386.403 1.673 20 0 GDADMN CC(F)(F)C1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575222259 948755988 /nfs/dbraw/zinc/75/59/88/948755988.db2.gz HMSZPZACTQCRBZ-JTQLQIEISA-N 0 1 378.387 1.035 20 0 GDADMN CC(F)(F)C1(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001575222765 948757971 /nfs/dbraw/zinc/75/79/71/948757971.db2.gz JGSUZKHROIYHTC-UHFFFAOYSA-N 0 1 376.411 1.850 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21 ZINC001574078963 948760383 /nfs/dbraw/zinc/76/03/83/948760383.db2.gz GXATVFOPSOVGQW-XAVMHZPKSA-N 0 1 385.856 1.522 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001573755408 948764617 /nfs/dbraw/zinc/76/46/17/948764617.db2.gz DGLRCNZRJWRFJQ-XQQFMLRXSA-N 0 1 389.891 1.731 20 0 GDADMN CC(F)(F)CC(=O)N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001575223450 948767282 /nfs/dbraw/zinc/76/72/82/948767282.db2.gz BKXJIUZKMGAOGQ-ZDUSSCGKSA-N 0 1 377.399 1.782 20 0 GDADMN CC(C)c1cccc(CNC2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n1 ZINC001574420426 948798724 /nfs/dbraw/zinc/79/87/24/948798724.db2.gz UPHRCUMWEUNLPI-UHFFFAOYSA-N 0 1 380.456 1.765 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917293 948813540 /nfs/dbraw/zinc/81/35/40/948813540.db2.gz VYGPZEANWUVITN-CYBMUJFWSA-N 0 1 383.431 1.628 20 0 GDADMN C[C@H](CNC(=O)CCCn1cccn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574918843 948865355 /nfs/dbraw/zinc/86/53/55/948865355.db2.gz RPRPYMBBNRIWBR-CYBMUJFWSA-N 0 1 386.435 1.277 20 0 GDADMN CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573764291 948884154 /nfs/dbraw/zinc/88/41/54/948884154.db2.gz LTAUJSYQJORBJN-OCCSQVGLSA-N 0 1 382.472 1.520 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)Cc2csc(-c3nn[nH]n3)c2)n[nH]1 ZINC001574426926 948894965 /nfs/dbraw/zinc/89/49/65/948894965.db2.gz WWIAODFPYXFWQC-QMMMGPOBSA-N 0 1 382.475 1.350 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)CCC[NH+](C)C ZINC001574685229 948905045 /nfs/dbraw/zinc/90/50/45/948905045.db2.gz TZXLLKRTCXACDX-VIFPVBQESA-N 0 1 386.913 1.625 20 0 GDADMN CC(C)(C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001573765385 948908335 /nfs/dbraw/zinc/90/83/35/948908335.db2.gz BCFUFJMKAGZCIX-CQSZACIVSA-N 0 1 385.472 1.149 20 0 GDADMN CC(C)c1ncc(C(=O)N[C@H](C)[C@@H](C)Nc2ccncc2-c2nn[nH]n2)s1 ZINC001574427825 948913634 /nfs/dbraw/zinc/91/36/34/948913634.db2.gz RDEGUGFMWFYIFB-GHMZBOCLSA-N 0 1 386.485 1.882 20 0 GDADMN CC(C)c1ncc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)s1 ZINC001574427845 948915745 /nfs/dbraw/zinc/91/57/45/948915745.db2.gz RXKCNZDZCFTKLX-NSHDSACASA-N 0 1 384.469 1.590 20 0 GDADMN CC(C)(C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573771109 948937450 /nfs/dbraw/zinc/93/74/50/948937450.db2.gz CCEZTPSFNCPHOS-KRWDZBQOSA-N 0 1 392.467 1.363 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574432857 948941070 /nfs/dbraw/zinc/94/10/70/948941070.db2.gz GALYFLXTQYTPDR-XYPYZODXSA-N 0 1 384.469 1.636 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573771697 948944056 /nfs/dbraw/zinc/94/40/56/948944056.db2.gz LBMBFFDNDMSCCM-OCCSQVGLSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)CCO1 ZINC001574091384 949010738 /nfs/dbraw/zinc/01/07/38/949010738.db2.gz KUIORKVGLSBPBX-CJNGLKHVSA-N 0 1 385.472 1.196 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574693814 949063328 /nfs/dbraw/zinc/06/33/28/949063328.db2.gz JVKHULRKJWKLMH-CQSZACIVSA-N 0 1 386.504 1.785 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574694135 949069475 /nfs/dbraw/zinc/06/94/75/949069475.db2.gz LWEIBGKKHYBMLN-XJKSGUPXSA-N 0 1 387.488 1.538 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573779862 949071592 /nfs/dbraw/zinc/07/15/92/949071592.db2.gz OEQPBMVZPFKNIV-AWEZNQCLSA-N 0 1 392.467 1.577 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)[NH+]1CCCC1 ZINC001573780402 949096808 /nfs/dbraw/zinc/09/68/08/949096808.db2.gz YGUYVZMNJAOGBW-ZDUSSCGKSA-N 0 1 389.529 1.493 20 0 GDADMN C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575504951 949097536 /nfs/dbraw/zinc/09/75/36/949097536.db2.gz ZSHMHZCPAUNVCF-QWHCGFSZSA-N 0 1 382.428 1.065 20 0 GDADMN CC(C)c1ocnc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574446937 949145112 /nfs/dbraw/zinc/14/51/12/949145112.db2.gz BRIKLQBCVSNAQC-UHFFFAOYSA-N 0 1 383.416 1.167 20 0 GDADMN C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251864 949152852 /nfs/dbraw/zinc/15/28/52/949152852.db2.gz OTWSAABBYVAGHK-DTWKUNHWSA-N 0 1 384.366 1.116 20 0 GDADMN CC(C)c1ocnc1CNC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574448896 949197251 /nfs/dbraw/zinc/19/72/51/949197251.db2.gz ONHWHXUBZVAJIA-UHFFFAOYSA-N 0 1 384.444 1.701 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515881 949199818 /nfs/dbraw/zinc/19/98/18/949199818.db2.gz MEJGWXLMPSETPH-STQMWFEESA-N 0 1 381.444 1.188 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2occc2Cl)CC1 ZINC001575853303 949209326 /nfs/dbraw/zinc/20/93/26/949209326.db2.gz NQWUVNOQMFAEQO-UHFFFAOYSA-N 0 1 388.819 1.432 20 0 GDADMN CC1(Nc2ncc(-c3nn[nH]n3)cc2F)CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001575853473 949212345 /nfs/dbraw/zinc/21/23/45/949212345.db2.gz RXFCNQIQFDRCFN-UHFFFAOYSA-N 0 1 385.407 1.160 20 0 GDADMN C[C@H](c1cnccn1)N1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575516912 949212685 /nfs/dbraw/zinc/21/26/85/949212685.db2.gz RPEABRAIQPSDOD-GFCCVEGCSA-N 0 1 381.444 1.188 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1 ZINC001589604222 949218722 /nfs/dbraw/zinc/21/87/22/949218722.db2.gz ALQQQAHGLTWDIP-GOSISDBHSA-N 0 1 397.497 1.418 20 0 GDADMN C[C@H](c1cnccn1)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575516984 949221385 /nfs/dbraw/zinc/22/13/85/949221385.db2.gz SIOCVZLUDJHGQS-CHWSQXEVSA-N 0 1 381.444 1.330 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001574451323 949227184 /nfs/dbraw/zinc/22/71/84/949227184.db2.gz MGXXCFXHIIGOHL-GFCCVEGCSA-N 0 1 385.432 1.057 20 0 GDADMN CC(C)(C)C(=O)N1CCC(N(CC2CC2)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573791725 949227736 /nfs/dbraw/zinc/22/77/36/949227736.db2.gz DTIKJPNEYKYLAG-UHFFFAOYSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575255316 949227757 /nfs/dbraw/zinc/22/77/57/949227757.db2.gz ZEIJDOZPUXBWJV-KGLIPLIRSA-N 0 1 386.504 1.831 20 0 GDADMN C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575255425 949233291 /nfs/dbraw/zinc/23/32/91/949233291.db2.gz QBVMSIWFKTVFQA-OLZOCXBDSA-N 0 1 388.451 1.518 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001575854438 949235832 /nfs/dbraw/zinc/23/58/32/949235832.db2.gz WXZFTBNVXSBYFC-CQSZACIVSA-N 0 1 385.472 1.293 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C2CCCCCC2)CC1 ZINC001575854405 949235942 /nfs/dbraw/zinc/23/59/42/949235942.db2.gz UZJLRHUNQLKEDT-UHFFFAOYSA-N 0 1 384.488 1.842 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001575255581 949237127 /nfs/dbraw/zinc/23/71/27/949237127.db2.gz RDBXGPKAHDMBRN-FTBCQYCESA-N 0 1 384.488 1.600 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574938120 949237133 /nfs/dbraw/zinc/23/71/33/949237133.db2.gz SKSWYAZQAYIXDA-SNVBAGLBSA-N 0 1 375.433 1.299 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574938120 949237150 /nfs/dbraw/zinc/23/71/50/949237150.db2.gz SKSWYAZQAYIXDA-SNVBAGLBSA-N 0 1 375.433 1.299 20 0 GDADMN CC1(c2ccccc2C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575856199 949246180 /nfs/dbraw/zinc/24/61/80/949246180.db2.gz DPOSRJXAZQCRHP-JOCQHMNTSA-N 0 1 390.451 1.503 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001589605657 949259803 /nfs/dbraw/zinc/25/98/03/949259803.db2.gz UHFBEOZEQQARIX-SFHVURJKSA-N 0 1 382.482 1.283 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001589605657 949259822 /nfs/dbraw/zinc/25/98/22/949259822.db2.gz UHFBEOZEQQARIX-SFHVURJKSA-N 0 1 382.482 1.283 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001574940416 949260484 /nfs/dbraw/zinc/26/04/84/949260484.db2.gz FKPPNJJXULQKHE-AWEZNQCLSA-N 0 1 391.479 1.579 20 0 GDADMN CC1=C(C)C[C@H](C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)C)CC1 ZINC001575860077 949287573 /nfs/dbraw/zinc/28/75/73/949287573.db2.gz CHAVFWWLBKNSGS-HUUCEWRRSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574702767 949293461 /nfs/dbraw/zinc/29/34/61/949293461.db2.gz LOIWDKYMOGKTSU-PXAZEXFGSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574702767 949293477 /nfs/dbraw/zinc/29/34/77/949293477.db2.gz LOIWDKYMOGKTSU-PXAZEXFGSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]1(F)CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703087 949310900 /nfs/dbraw/zinc/31/09/00/949310900.db2.gz QNFOACKAGSWKSP-CPFSXVBKSA-N 0 1 389.844 1.364 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccco1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942122 949332527 /nfs/dbraw/zinc/33/25/27/949332527.db2.gz VULUHWAUZMIUDK-QMMMGPOBSA-N 0 1 381.849 1.977 20 0 GDADMN CC(C)n1ccc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574457783 949333272 /nfs/dbraw/zinc/33/32/72/949333272.db2.gz OEEXGOYNHNHGMY-CYBMUJFWSA-N 0 1 381.444 1.035 20 0 GDADMN C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574703496 949333513 /nfs/dbraw/zinc/33/35/13/949333513.db2.gz VUWDBVPOEKCQNY-GFCCVEGCSA-N 0 1 375.452 1.749 20 0 GDADMN C[C@@H](CN(C)C(=O)C1=COCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703672 949343901 /nfs/dbraw/zinc/34/39/01/949343901.db2.gz FUCIMOISZCZPJT-ZETCQYMHSA-N 0 1 385.837 1.124 20 0 GDADMN CC(C)n1ccc(CC(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001574943059 949373318 /nfs/dbraw/zinc/37/33/18/949373318.db2.gz VONIAQQLHHGEKU-LBPRGKRZSA-N 0 1 388.501 1.543 20 0 GDADMN CC(C)n1ccc(CC(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001574943059 949373343 /nfs/dbraw/zinc/37/33/43/949373343.db2.gz VONIAQQLHHGEKU-LBPRGKRZSA-N 0 1 388.501 1.543 20 0 GDADMN C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575262525 949376298 /nfs/dbraw/zinc/37/62/98/949376298.db2.gz BFZSJJSMVXWBPX-RNODOKPDSA-N 0 1 384.484 1.354 20 0 GDADMN C[C@@H]1CCC[C@H](C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576155814 949418714 /nfs/dbraw/zinc/41/87/14/949418714.db2.gz VGJJAOJEAHCEMO-HIFRSBDPSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465101 949429457 /nfs/dbraw/zinc/42/94/57/949429457.db2.gz NQTCZUMOCJLBMU-CYBMUJFWSA-N 0 1 381.444 1.295 20 0 GDADMN CC(C)(C)C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CCOCC1 ZINC001573803195 949433145 /nfs/dbraw/zinc/43/31/45/949433145.db2.gz LWXBDHFLERWLPX-UHFFFAOYSA-N 0 1 390.463 1.807 20 0 GDADMN CC(C)n1cnc(C(=O)NCCN(C)Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001574465414 949434342 /nfs/dbraw/zinc/43/43/42/949434342.db2.gz XUXCUNYWRVMNLB-UHFFFAOYSA-N 0 1 386.435 1.645 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CC(C)(C)CC(F)F ZINC001575265294 949446736 /nfs/dbraw/zinc/44/67/36/949446736.db2.gz TXTMSKAOBFBOOV-ZJUUUORDSA-N 0 1 382.419 1.455 20 0 GDADMN CC(C)n1cccc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574466003 949449825 /nfs/dbraw/zinc/44/98/25/949449825.db2.gz ZASHLLUYUQRLRS-ZDUSSCGKSA-N 0 1 381.444 1.178 20 0 GDADMN CC1(C(=O)N2CCC3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)CC2)CCC1 ZINC001575536811 949477713 /nfs/dbraw/zinc/47/77/13/949477713.db2.gz MMEBCEHLDNYQMX-UHFFFAOYSA-N 0 1 382.472 1.666 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574707857 949478533 /nfs/dbraw/zinc/47/85/33/949478533.db2.gz RDSWFWQWGLPHDA-XJKSGUPXSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574708193 949483508 /nfs/dbraw/zinc/48/35/08/949483508.db2.gz SSEDFLVHHKEFFG-SMDDNHRTSA-N 0 1 376.440 1.144 20 0 GDADMN CC(C)CC(=O)NC[C@@H]1COCCN1c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574117999 949489839 /nfs/dbraw/zinc/48/98/39/949489839.db2.gz COCSJVNBRXXUQK-SECBINFHSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@@H](CNC(=O)Cn1ccc2ccccc21)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574949578 949498165 /nfs/dbraw/zinc/49/81/65/949498165.db2.gz YBHMSLBDEZISIT-AWEZNQCLSA-N 0 1 390.451 1.858 20 0 GDADMN CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575537734 949499411 /nfs/dbraw/zinc/49/94/11/949499411.db2.gz ARNFHYGSVNOQSW-UONOGXRCSA-N 0 1 382.472 1.664 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575871608 949515846 /nfs/dbraw/zinc/51/58/46/949515846.db2.gz AWMIZNFCPRDXLD-MLGOLLRUSA-N 0 1 390.463 1.636 20 0 GDADMN C[C@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575871930 949522826 /nfs/dbraw/zinc/52/28/26/949522826.db2.gz DBTPDFRNUVYXED-CMPLNLGQSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575871932 949525441 /nfs/dbraw/zinc/52/54/41/949525441.db2.gz DBTPDFRNUVYXED-PWSUYJOCSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H](NC(=O)C[C@@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268952 949532808 /nfs/dbraw/zinc/53/28/08/949532808.db2.gz PZHUBZHDRAMKDI-RYUDHWBXSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574950443 949539187 /nfs/dbraw/zinc/53/91/87/949539187.db2.gz ORNYFARRRUPSAW-UONOGXRCSA-N 0 1 381.440 1.206 20 0 GDADMN C[C@H](NC(=O)C[C@@H]1CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575269162 949542018 /nfs/dbraw/zinc/54/20/18/949542018.db2.gz RTZLQTDLUDAUCL-JSGCOSHPSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001576164283 949555658 /nfs/dbraw/zinc/55/56/58/949555658.db2.gz GOQHPTVSYYAUGC-WVZRYYJFSA-N 0 1 385.472 1.338 20 0 GDADMN CC(C)CC(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001574123459 949559095 /nfs/dbraw/zinc/55/90/95/949559095.db2.gz ZUPAGXJFKKPKDY-UHFFFAOYSA-N 0 1 391.545 1.645 20 0 GDADMN CC(C)CC(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001574123459 949559105 /nfs/dbraw/zinc/55/91/05/949559105.db2.gz ZUPAGXJFKKPKDY-UHFFFAOYSA-N 0 1 391.545 1.645 20 0 GDADMN C[C@H]1CCCN(C(=O)CC2(C)CC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164583 949559913 /nfs/dbraw/zinc/55/99/13/949559913.db2.gz HOLZZHRTCSUMOR-UONOGXRCSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CC(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1 ZINC001574476476 949603076 /nfs/dbraw/zinc/60/30/76/949603076.db2.gz DAWCTRVDZXRRJD-GFCCVEGCSA-N 0 1 384.419 1.282 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715470 949650445 /nfs/dbraw/zinc/65/04/45/949650445.db2.gz CYLRTRDKYLGLAX-UKRRQHHQSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576168924 949654211 /nfs/dbraw/zinc/65/42/11/949654211.db2.gz WTDCELJUYSQUKK-BBRMVZONSA-N 0 1 385.472 1.028 20 0 GDADMN CC(C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574131584 949662146 /nfs/dbraw/zinc/66/21/46/949662146.db2.gz HEMYBHGPJCDWQL-RDBSUJKOSA-N 0 1 384.488 1.955 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001574958440 949669187 /nfs/dbraw/zinc/66/91/87/949669187.db2.gz JRVXCRZNGPRVID-QJPTWQEYSA-N 0 1 384.419 1.697 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574132007 949674008 /nfs/dbraw/zinc/67/40/08/949674008.db2.gz OIRNZANZMFRGTA-ZSOGYDGISA-N 0 1 384.488 1.527 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCOC1 ZINC001573817766 949704360 /nfs/dbraw/zinc/70/43/60/949704360.db2.gz AVNIAQZIZZNLDK-CZUORRHYSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCc1ccns1 ZINC001575881914 949741178 /nfs/dbraw/zinc/74/11/78/949741178.db2.gz DBPPZUPUMWWBRX-RISCZKNCSA-N 0 1 386.485 1.477 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC2CCCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170901 949741694 /nfs/dbraw/zinc/74/16/94/949741694.db2.gz OHLNPERTZVEFMP-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cccn1 ZINC001574717734 949743474 /nfs/dbraw/zinc/74/34/74/949743474.db2.gz WUXWCODXSCYATD-QWHCGFSZSA-N 0 1 388.501 1.713 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1cccn1 ZINC001574717734 949743482 /nfs/dbraw/zinc/74/34/82/949743482.db2.gz WUXWCODXSCYATD-QWHCGFSZSA-N 0 1 388.501 1.713 20 0 GDADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001589648074 949758744 /nfs/dbraw/zinc/75/87/44/949758744.db2.gz MGIHRSHIHSQJOB-QGZVFWFLSA-N 0 1 396.532 1.606 20 0 GDADMN C[C@]1(C(=O)NC2CC3(C2)CC(Nc2ccncc2-c2nn[nH]n2)C3)C=CCC1 ZINC001575560196 949780326 /nfs/dbraw/zinc/78/03/26/949780326.db2.gz MEDRACKPDXUQIX-MOZZUYQBSA-N 0 1 379.468 1.879 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172074 949791516 /nfs/dbraw/zinc/79/15/16/949791516.db2.gz UOKLIXOPBBYEMI-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172074 949791524 /nfs/dbraw/zinc/79/15/24/949791524.db2.gz UOKLIXOPBBYEMI-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576172066 949791571 /nfs/dbraw/zinc/79/15/71/949791571.db2.gz UMZKSILVGFZCRF-HIFRSBDPSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576172066 949791580 /nfs/dbraw/zinc/79/15/80/949791580.db2.gz UMZKSILVGFZCRF-HIFRSBDPSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574721175 949811895 /nfs/dbraw/zinc/81/18/95/949811895.db2.gz JZKHVPTZJXYIDA-AWEZNQCLSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574722490 949836814 /nfs/dbraw/zinc/83/68/14/949836814.db2.gz SSDMOMIMFVJJJY-CQSZACIVSA-N 0 1 381.440 1.412 20 0 GDADMN C[C@H](CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574483762 949844794 /nfs/dbraw/zinc/84/47/94/949844794.db2.gz LEHWBDNZHNVOPN-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001574483762 949844816 /nfs/dbraw/zinc/84/48/16/949844816.db2.gz LEHWBDNZHNVOPN-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574484001 949851485 /nfs/dbraw/zinc/85/14/85/949851485.db2.gz BWSARRPFISOZGG-GHMZBOCLSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@H](CN(C)C(=O)CCn1cccc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574724577 949871687 /nfs/dbraw/zinc/87/16/87/949871687.db2.gz HQLXNNUBBQSPOE-CQSZACIVSA-N 0 1 385.447 1.834 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1cn[nH]c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725067 949889701 /nfs/dbraw/zinc/88/97/01/949889701.db2.gz OORLUQAMYNPPJF-GFCCVEGCSA-N 0 1 386.435 1.298 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574484888 949911238 /nfs/dbraw/zinc/91/12/38/949911238.db2.gz QUXIOETYTGGHDN-GOEBONIOSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574484952 949915330 /nfs/dbraw/zinc/91/53/30/949915330.db2.gz SFEYDTFALIHZIW-GOEBONIOSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CC1 ZINC001574487742 949936519 /nfs/dbraw/zinc/93/65/19/949936519.db2.gz BQMZFRUBUXTTRZ-DOMZBBRYSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181287 949997300 /nfs/dbraw/zinc/99/73/00/949997300.db2.gz HFSDALYQEBUDRW-KBPBESRZSA-N 0 1 380.456 1.151 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574492142 950064248 /nfs/dbraw/zinc/06/42/48/950064248.db2.gz JQVLPSPYEBSRGT-QWHCGFSZSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cncnc2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575893974 950094120 /nfs/dbraw/zinc/09/41/20/950094120.db2.gz CBBNGNXPVNJWFO-SUMWQHHRSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H](CC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001574492688 950100412 /nfs/dbraw/zinc/10/04/12/950100412.db2.gz ONFRYQJCBVFFRV-KDBGQGEDSA-N 0 1 382.472 1.354 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576184433 950127152 /nfs/dbraw/zinc/12/71/52/950127152.db2.gz WJBRWKIPIROPGH-MLGOLLRUSA-N 0 1 381.444 1.150 20 0 GDADMN CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573839328 950128955 /nfs/dbraw/zinc/12/89/55/950128955.db2.gz QWUXVAFLHQXLDE-BFUOFWGJSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184587 950134967 /nfs/dbraw/zinc/13/49/67/950134967.db2.gz WRXUUKJMPLUXJE-JSGCOSHPSA-N 0 1 381.444 1.150 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1CNCc1cnns1 ZINC001576185010 950150570 /nfs/dbraw/zinc/15/05/70/950150570.db2.gz YJLVBSZHSOPPKI-YGRLFVJLSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576185114 950156384 /nfs/dbraw/zinc/15/63/84/950156384.db2.gz ZGPUMAMPUKMNRS-QWHCGFSZSA-N 0 1 382.428 1.415 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(CCF)CC1 ZINC001574154108 950166701 /nfs/dbraw/zinc/16/67/01/950166701.db2.gz BHEFHGZDGXDSLW-GFCCVEGCSA-N 0 1 376.440 1.161 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C12CCC(CC1)C2 ZINC001574154275 950169838 /nfs/dbraw/zinc/16/98/38/950169838.db2.gz CLTQINWNLHERSO-BIWSTMPVSA-N 0 1 384.488 1.602 20 0 GDADMN CC1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCCC2)CC(F)(F)C1 ZINC001575584623 950175264 /nfs/dbraw/zinc/17/52/64/950175264.db2.gz ZDMPRZSLQUAOQM-UHFFFAOYSA-N 0 1 392.414 1.355 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cccc(F)c1F ZINC001574739397 950189434 /nfs/dbraw/zinc/18/94/34/950189434.db2.gz PBAIOROPVLNEBE-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574155549 950199200 /nfs/dbraw/zinc/19/92/00/950199200.db2.gz NIZOXEWLEMZRNF-STQMWFEESA-N 0 1 384.444 1.418 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575585593 950199430 /nfs/dbraw/zinc/19/94/30/950199430.db2.gz AYUHFKFKQHJJHB-SJKOYZFVSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585593 950199438 /nfs/dbraw/zinc/19/94/38/950199438.db2.gz AYUHFKFKQHJJHB-SJKOYZFVSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585593 950199447 /nfs/dbraw/zinc/19/94/47/950199447.db2.gz AYUHFKFKQHJJHB-SJKOYZFVSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585593 950199458 /nfs/dbraw/zinc/19/94/58/950199458.db2.gz AYUHFKFKQHJJHB-SJKOYZFVSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585593 950199465 /nfs/dbraw/zinc/19/94/65/950199465.db2.gz AYUHFKFKQHJJHB-SJKOYZFVSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576192008 950218414 /nfs/dbraw/zinc/21/84/14/950218414.db2.gz JJEZXJCOCKBVMQ-CHWSQXEVSA-N 0 1 375.452 1.606 20 0 GDADMN C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576192008 950218432 /nfs/dbraw/zinc/21/84/32/950218432.db2.gz JJEZXJCOCKBVMQ-CHWSQXEVSA-N 0 1 375.452 1.606 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cnsn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575901147 950218995 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ZINC001576221638 950856130 /nfs/dbraw/zinc/85/61/30/950856130.db2.gz VUJZJPRTOVOMQA-JQWIXIFHSA-N 0 1 379.415 1.624 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574767939 950875411 /nfs/dbraw/zinc/87/54/11/950875411.db2.gz VLJONRQIFSCPSW-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574767939 950875424 /nfs/dbraw/zinc/87/54/24/950875424.db2.gz VLJONRQIFSCPSW-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2cn[nH]c2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575640479 950894071 /nfs/dbraw/zinc/89/40/71/950894071.db2.gz HTQIOAVTWGKNDV-CYBMUJFWSA-N 0 1 381.444 1.410 20 0 GDADMN CC(C)CCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574190459 950912028 /nfs/dbraw/zinc/91/20/28/950912028.db2.gz YDFYRJYYYNMGCE-GOSISDBHSA-N 0 1 388.476 1.195 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccncc1-c1nn[nH]n1 ZINC001575017139 950976789 /nfs/dbraw/zinc/97/67/89/950976789.db2.gz 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C[C@H](CNC(=O)c1ccsn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575037893 951310823 /nfs/dbraw/zinc/31/08/23/951310823.db2.gz DYMYWDIQJKOQNS-ZCFIWIBFSA-N 0 1 384.878 1.911 20 0 GDADMN C[C@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575046713 951445249 /nfs/dbraw/zinc/44/52/49/951445249.db2.gz RIJLEIWNSANNJS-SECBINFHSA-N 0 1 377.861 1.885 20 0 GDADMN C[C@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575046713 951445254 /nfs/dbraw/zinc/44/52/54/951445254.db2.gz RIJLEIWNSANNJS-SECBINFHSA-N 0 1 377.861 1.885 20 0 GDADMN C[C@@H](CNC(=O)c1cnoc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575055199 951499287 /nfs/dbraw/zinc/49/92/87/951499287.db2.gz OAEXPXIEKAZOHU-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575056327 951519046 /nfs/dbraw/zinc/51/90/46/951519046.db2.gz HMDJLKGTKBIUCT-SNVBAGLBSA-N 0 1 383.416 1.167 20 0 GDADMN C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1ccncc1-c1nn[nH]n1 ZINC001575062089 951567092 /nfs/dbraw/zinc/56/70/92/951567092.db2.gz SUOSDNGHYSCUIW-SNVBAGLBSA-N 0 1 386.485 1.668 20 0 GDADMN O=C([O-])CN1CC[C@@H]([NH+]2CCC(NC(=O)OCc3ccccc3)CC2)C1=O ZINC001595073823 951619423 /nfs/dbraw/zinc/61/94/23/951619423.db2.gz IULYKSYLGRSFRY-MRXNPFEDSA-N 0 1 375.425 1.063 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575067847 951623064 /nfs/dbraw/zinc/62/30/64/951623064.db2.gz PNHLWZOSZOTYAV-ZCFIWIBFSA-N 0 1 380.821 1.308 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1[O-])[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575067867 951625708 /nfs/dbraw/zinc/62/57/08/951625708.db2.gz PZFUSUNXXPVLGT-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1[O-])[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575067867 951625713 /nfs/dbraw/zinc/62/57/13/951625713.db2.gz PZFUSUNXXPVLGT-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@H](c3ncc(Br)cn3)C2)C1=O ZINC001595074220 951627318 /nfs/dbraw/zinc/62/73/18/951627318.db2.gz OLZADPBHABSDJO-JQWIXIFHSA-N 0 1 383.246 1.104 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCC[C@H](c3ncc(Br)cn3)C2)C1=O ZINC001595074220 951627321 /nfs/dbraw/zinc/62/73/21/951627321.db2.gz OLZADPBHABSDJO-JQWIXIFHSA-N 0 1 383.246 1.104 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@H](c3ncc(Br)cn3)C2)C1=O ZINC001595074219 951627423 /nfs/dbraw/zinc/62/74/23/951627423.db2.gz OLZADPBHABSDJO-CMPLNLGQSA-N 0 1 383.246 1.104 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@H](c3ncc(Br)cn3)C2)C1=O ZINC001595074219 951627432 /nfs/dbraw/zinc/62/74/32/951627432.db2.gz OLZADPBHABSDJO-CMPLNLGQSA-N 0 1 383.246 1.104 20 0 GDADMN C[C@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067976 951627508 /nfs/dbraw/zinc/62/75/08/951627508.db2.gz UDSJJXQYXJPSGL-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067976 951627515 /nfs/dbraw/zinc/62/75/15/951627515.db2.gz UDSJJXQYXJPSGL-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575069841 951647483 /nfs/dbraw/zinc/64/74/83/951647483.db2.gz LXAANFPHMDRNRH-MRVPVSSYSA-N 0 1 390.498 1.565 20 0 GDADMN C[C@H](CNC(=O)c1snnc1C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575069841 951647489 /nfs/dbraw/zinc/64/74/89/951647489.db2.gz LXAANFPHMDRNRH-MRVPVSSYSA-N 0 1 390.498 1.565 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnsn1 ZINC001575089029 951745940 /nfs/dbraw/zinc/74/59/40/951745940.db2.gz CPCCJHBLKGIXEE-VIFPVBQESA-N 0 1 376.421 1.108 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575089728 951752513 /nfs/dbraw/zinc/75/25/13/951752513.db2.gz GVXHKAVJPGWHIX-SWLSCSKDSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1[O-])C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090932 951765129 /nfs/dbraw/zinc/76/51/29/951765129.db2.gz OGFDJIBZLKBZKP-NSHDSACASA-N 0 1 385.403 1.262 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1cccnn1)C1CC1 ZINC001575090936 951765625 /nfs/dbraw/zinc/76/56/25/951765625.db2.gz OLRDPRWTUXVAGG-QGZVFWFLSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)c1cccnn1)C1CC1 ZINC001575090936 951765628 /nfs/dbraw/zinc/76/56/28/951765628.db2.gz OLRDPRWTUXVAGG-QGZVFWFLSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ncccc1[O-] ZINC001575091426 951774523 /nfs/dbraw/zinc/77/45/23/951774523.db2.gz QVKYUCSMCNMNEJ-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cncs1 ZINC001575091717 951781969 /nfs/dbraw/zinc/78/19/69/951781969.db2.gz WTRRZYISNZQPFR-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098160 951821207 /nfs/dbraw/zinc/82/12/07/951821207.db2.gz BSBMHQXKFZDVMF-JTQLQIEISA-N 0 1 375.433 1.618 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098160 951821219 /nfs/dbraw/zinc/82/12/19/951821219.db2.gz BSBMHQXKFZDVMF-JTQLQIEISA-N 0 1 375.433 1.618 20 0 GDADMN C[C@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098762 951826482 /nfs/dbraw/zinc/82/64/82/951826482.db2.gz GIZUPXAIYRVIEZ-LBPRGKRZSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098762 951826487 /nfs/dbraw/zinc/82/64/87/951826487.db2.gz GIZUPXAIYRVIEZ-LBPRGKRZSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099779 951839164 /nfs/dbraw/zinc/83/91/64/951839164.db2.gz OKRGQMHRAWYLKJ-STQMWFEESA-N 0 1 378.502 1.729 20 0 GDADMN C[C@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099779 951839171 /nfs/dbraw/zinc/83/91/71/951839171.db2.gz OKRGQMHRAWYLKJ-STQMWFEESA-N 0 1 378.502 1.729 20 0 GDADMN C[C@@H](CNC(=O)c1cn2c(n1)CCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099830 951839890 /nfs/dbraw/zinc/83/98/90/951839890.db2.gz PCMFORLDIHDHBL-LLVKDONJSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@@H](CNC(=O)c1cn2c(n1)CCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099830 951839896 /nfs/dbraw/zinc/83/98/96/951839896.db2.gz PCMFORLDIHDHBL-LLVKDONJSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575104199 951884744 /nfs/dbraw/zinc/88/47/44/951884744.db2.gz XZHLWESVVYXOIA-NSHDSACASA-N 0 1 392.464 1.345 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575104199 951884748 /nfs/dbraw/zinc/88/47/48/951884748.db2.gz XZHLWESVVYXOIA-NSHDSACASA-N 0 1 392.464 1.345 20 0 GDADMN O=C([O-])CS(=O)(=O)CC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001595123525 951987990 /nfs/dbraw/zinc/98/79/90/951987990.db2.gz GOZMFBZXEANMMB-ZDUSSCGKSA-N 0 1 390.299 1.813 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575134497 952110810 /nfs/dbraw/zinc/11/08/10/952110810.db2.gz INZHLKIWEFVUCJ-QRWLVFNGSA-N 0 1 390.451 1.115 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575136879 952129406 /nfs/dbraw/zinc/12/94/06/952129406.db2.gz QRBKJDWKMCNUHU-ACJLOTCBSA-N 0 1 382.472 1.356 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001575141440 952144634 /nfs/dbraw/zinc/14/46/34/952144634.db2.gz HGLHSGQSUYWUII-TZMCWYRMSA-N 0 1 390.467 1.646 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001575141436 952145268 /nfs/dbraw/zinc/14/52/68/952145268.db2.gz HGLHSGQSUYWUII-OCCSQVGLSA-N 0 1 390.467 1.646 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575142232 952146388 /nfs/dbraw/zinc/14/63/88/952146388.db2.gz KMBAYNORZBQIDG-CZUORRHYSA-N 0 1 392.467 1.143 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001575143451 952152820 /nfs/dbraw/zinc/15/28/20/952152820.db2.gz PNPBTXFZXHGEQT-RCDCFZSISA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001575143640 952156441 /nfs/dbraw/zinc/15/64/41/952156441.db2.gz QGCBJHIDZCOODR-UKRRQHHQSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccccc1C1CCC1 ZINC001575144861 952173574 /nfs/dbraw/zinc/17/35/74/952173574.db2.gz MVBQFDVYNKSDPM-ZDUSSCGKSA-N 0 1 392.467 1.919 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575144983 952175626 /nfs/dbraw/zinc/17/56/26/952175626.db2.gz ZYSGLEYKUJPWMZ-INIZCTEOSA-N 0 1 387.835 1.071 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575145480 952184160 /nfs/dbraw/zinc/18/41/60/952184160.db2.gz YIAOCIDNGXYBMG-YJYMSZOUSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575148219 952203890 /nfs/dbraw/zinc/20/38/90/952203890.db2.gz YYYZYECGOKPNPF-JTQLQIEISA-N 0 1 388.382 1.589 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575153371 952209010 /nfs/dbraw/zinc/20/90/10/952209010.db2.gz GSKXPPQZNXRLKM-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575153371 952209016 /nfs/dbraw/zinc/20/90/16/952209016.db2.gz GSKXPPQZNXRLKM-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575155104 952235724 /nfs/dbraw/zinc/23/57/24/952235724.db2.gz WIVWBTRAECGDEI-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)CC1(O)CCC1 ZINC001575164791 952299716 /nfs/dbraw/zinc/29/97/16/952299716.db2.gz HUQCDKPSRGESJQ-QMMMGPOBSA-N 0 1 385.881 1.541 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575166203 952322365 /nfs/dbraw/zinc/32/23/65/952322365.db2.gz SVFHKRXZJPLNQR-XLKFXECMSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)CCC[NH+](C)C ZINC001575178117 952405029 /nfs/dbraw/zinc/40/50/29/952405029.db2.gz KNZWRGJAPSHWCJ-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)CCC[NH+](C)C ZINC001575178117 952405032 /nfs/dbraw/zinc/40/50/32/952405032.db2.gz KNZWRGJAPSHWCJ-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571117717 952484456 /nfs/dbraw/zinc/48/44/56/952484456.db2.gz OSTNIJMVCIFLFP-MWLCHTKSSA-N 0 1 375.483 1.635 20 0 GDADMN C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571117717 952484460 /nfs/dbraw/zinc/48/44/60/952484460.db2.gz OSTNIJMVCIFLFP-MWLCHTKSSA-N 0 1 375.483 1.635 20 0 GDADMN O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571117982 952485909 /nfs/dbraw/zinc/48/59/09/952485909.db2.gz RPWGYARBQFIBGA-XHSDSOJGSA-N 0 1 375.436 1.500 20 0 GDADMN CC[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571118694 952489218 /nfs/dbraw/zinc/48/92/18/952489218.db2.gz YSMDDJZMUUMNLR-UXIGCNINSA-N 0 1 375.452 1.637 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCN(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575200271 952493848 /nfs/dbraw/zinc/49/38/48/952493848.db2.gz HUYDNEMMUQZYNB-LBPRGKRZSA-N 0 1 386.435 1.156 20 0 GDADMN Cc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)s1 ZINC001571120524 952504898 /nfs/dbraw/zinc/50/48/98/952504898.db2.gz MVXMLSPSUBQYNV-AOOOYVTPSA-N 0 1 375.483 1.744 20 0 GDADMN Cc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)s1 ZINC001571120524 952504903 /nfs/dbraw/zinc/50/49/03/952504903.db2.gz MVXMLSPSUBQYNV-AOOOYVTPSA-N 0 1 375.483 1.744 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001575201666 952507245 /nfs/dbraw/zinc/50/72/45/952507245.db2.gz KBNPGSWBUPGRTO-CHWSQXEVSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575201979 952508480 /nfs/dbraw/zinc/50/84/80/952508480.db2.gz KJVCEGWOWYRJAR-MGPQQGTHSA-N 0 1 381.440 1.462 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)cc1 ZINC001571121163 952516915 /nfs/dbraw/zinc/51/69/15/952516915.db2.gz XARYMRGHSCBPBI-IUODEOHRSA-N 0 1 376.424 1.437 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001575203242 952519887 /nfs/dbraw/zinc/51/98/87/952519887.db2.gz SAOIEOZVDOSCOY-GFCCVEGCSA-N 0 1 381.444 1.267 20 0 GDADMN O=C(CC1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571121872 952521754 /nfs/dbraw/zinc/52/17/54/952521754.db2.gz DAPHSLRQQJOWOS-JOCQHMNTSA-N 0 1 376.486 1.482 20 0 GDADMN O=C(CC1CCOCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571121872 952521758 /nfs/dbraw/zinc/52/17/58/952521758.db2.gz DAPHSLRQQJOWOS-JOCQHMNTSA-N 0 1 376.486 1.482 20 0 GDADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1csc(Cl)c1 ZINC001571122806 952526266 /nfs/dbraw/zinc/52/62/66/952526266.db2.gz LNPNWNZRLLLTEZ-VIFPVBQESA-N 0 1 376.833 1.380 20 0 GDADMN O=C(C[C@@H]1CCCC1(F)F)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571124260 952536052 /nfs/dbraw/zinc/53/60/52/952536052.db2.gz CWPHSLHKIGJDHP-NWDGAFQWSA-N 0 1 377.399 1.522 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571124377 952537017 /nfs/dbraw/zinc/53/70/17/952537017.db2.gz HEQBIONWPUUXGQ-LBPRGKRZSA-N 0 1 377.399 1.522 20 0 GDADMN Cc1cc(N[C@@H]2CCCN(C(=O)[C@H]3CCC3(F)F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124432 952538309 /nfs/dbraw/zinc/53/83/09/952538309.db2.gz IVKNZHXBTFYNKF-DGCLKSJQSA-N 0 1 377.399 1.440 20 0 GDADMN CC(F)(F)C(=O)N1C[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C(C)(C)C1 ZINC001575208011 952538720 /nfs/dbraw/zinc/53/87/20/952538720.db2.gz YVTYEADPZIWRLX-CYBMUJFWSA-N 0 1 382.390 1.988 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3ccncc3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134019 952584554 /nfs/dbraw/zinc/58/45/54/952584554.db2.gz BMJGMXLNNHIVPM-UKRRQHHQSA-N 0 1 378.440 1.492 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3ccncc3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134018 952585361 /nfs/dbraw/zinc/58/53/61/952585361.db2.gz BMJGMXLNNHIVPM-HIFRSBDPSA-N 0 1 378.440 1.492 20 0 GDADMN Cc1cnccc1C(=O)N1C[C@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571134189 952587747 /nfs/dbraw/zinc/58/77/47/952587747.db2.gz GBYUKIHLRBICJX-UONOGXRCSA-N 0 1 378.440 1.207 20 0 GDADMN CCN(C(=O)c1cnccn1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134581 952593036 /nfs/dbraw/zinc/59/30/36/952593036.db2.gz HGYKAYPHOKZNAW-MRXNPFEDSA-N 0 1 378.440 1.393 20 0 GDADMN Cc1cc(N2CCCN(C(=O)Cc3cccnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135159 952600438 /nfs/dbraw/zinc/60/04/38/952600438.db2.gz QGRPLCILOZITKP-UHFFFAOYSA-N 0 1 378.440 1.247 20 0 GDADMN C[C@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001571139070 952617940 /nfs/dbraw/zinc/61/79/40/952617940.db2.gz BLHQMHZPMWKKSI-BDJLRTHQSA-N 0 1 379.415 1.625 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)c1cccnc1 ZINC001571139615 952621069 /nfs/dbraw/zinc/62/10/69/952621069.db2.gz JWXWNRXIHXKSFS-QLPKVWCKSA-N 0 1 379.399 1.261 20 0 GDADMN Cc1conc1C(=O)N1C[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571140793 952628327 /nfs/dbraw/zinc/62/83/27/952628327.db2.gz GQDZNAAZTWTFLV-GDBMZVCRSA-N 0 1 379.424 1.510 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc2n1CCC2 ZINC001571142007 952637816 /nfs/dbraw/zinc/63/78/16/952637816.db2.gz NEDICFQRWMMHGD-OAHLLOKOSA-N 0 1 378.440 1.014 20 0 GDADMN O=C(N[C@]12CCC[C@H]1N(Cc1cc(F)ccc1-c1nn[nH]n1)CC2)C(F)F ZINC001571152669 952684210 /nfs/dbraw/zinc/68/42/10/952684210.db2.gz JSPRUKSCGSIKMT-DYVFJYSZSA-N 0 1 380.374 1.884 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571155032 952691540 /nfs/dbraw/zinc/69/15/40/952691540.db2.gz FJWRCWRDYJKSJX-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN Cc1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)n1 ZINC001571156773 952704994 /nfs/dbraw/zinc/70/49/94/952704994.db2.gz JIWWGSHMIWVSOY-STQMWFEESA-N 0 1 379.428 1.147 20 0 GDADMN Cc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc(C)n1 ZINC001571159700 952720246 /nfs/dbraw/zinc/72/02/46/952720246.db2.gz VUENIMSMCXKEQE-CQSZACIVSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1ocnc1C(=O)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571160680 952727202 /nfs/dbraw/zinc/72/72/02/952727202.db2.gz LGQMFJGXUFCJNQ-UONOGXRCSA-N 0 1 380.412 1.133 20 0 GDADMN Cc1ncc(C(=O)N[C@@H]2CC[C@H](C)N(Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571169370 952772987 /nfs/dbraw/zinc/77/29/87/952772987.db2.gz AUGKADNZIGBIDS-BLLLJJGKSA-N 0 1 380.456 1.681 20 0 GDADMN CCn1cccc1C(=O)N[C@H]1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571169648 952776910 /nfs/dbraw/zinc/77/69/10/952776910.db2.gz JLSNNNYRMGUUIF-HIFRSBDPSA-N 0 1 380.456 1.516 20 0 GDADMN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571171736 952797057 /nfs/dbraw/zinc/79/70/57/952797057.db2.gz FMUSLQUOWMQDPM-HLBODDRNSA-N 0 1 380.456 1.132 20 0 GDADMN Cc1cc(N2CC[C@@H](CNC(=O)c3cccc(F)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571178477 952842358 /nfs/dbraw/zinc/84/23/58/952842358.db2.gz KAXYXDVYXZLVDO-ZDUSSCGKSA-N 0 1 381.415 1.966 20 0 GDADMN Cc1ncoc1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571179980 952857532 /nfs/dbraw/zinc/85/75/32/952857532.db2.gz LMPJRBDYGFXJAW-HNNXBMFYSA-N 0 1 381.440 1.900 20 0 GDADMN CC[C@@H]1CN(C(=O)c2c[nH]nc2C)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571183672 952881323 /nfs/dbraw/zinc/88/13/23/952881323.db2.gz HELLQXIIFPCPIU-IUODEOHRSA-N 0 1 381.444 1.068 20 0 GDADMN CC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)CC[C@@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001571184365 952891728 /nfs/dbraw/zinc/89/17/28/952891728.db2.gz XOMUMCCJWJYIBS-OCCSQVGLSA-N 0 1 381.444 1.646 20 0 GDADMN CCn1ccnc1C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571185056 952900174 /nfs/dbraw/zinc/90/01/74/952900174.db2.gz HWDSEWATUQWHPM-CYBMUJFWSA-N 0 1 381.444 1.137 20 0 GDADMN Cc1cnc(CN[C@@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1 ZINC001571188150 952912686 /nfs/dbraw/zinc/91/26/86/952912686.db2.gz GUMZRMXOZHDNDX-KGLIPLIRSA-N 0 1 381.444 1.124 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3cn(C(C)C)cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188604 952916847 /nfs/dbraw/zinc/91/68/47/952916847.db2.gz LPYASOAQNXZOLF-ZDUSSCGKSA-N 0 1 381.444 1.356 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571189050 952923672 /nfs/dbraw/zinc/92/36/72/952923672.db2.gz QXZPDYDRJWSVBO-OLZOCXBDSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1ncc(C(=O)N[C@H](C)[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189878 952936025 /nfs/dbraw/zinc/93/60/25/952936025.db2.gz YGSGHQWXXDHZFC-DGCLKSJQSA-N 0 1 381.444 1.328 20 0 GDADMN Cc1cc(N2C[C@@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189862 952936509 /nfs/dbraw/zinc/93/65/09/952936509.db2.gz XYBLMBBKWCFCSM-OKILXGFUSA-N 0 1 381.465 1.840 20 0 GDADMN Cc1ncc(C(=O)N[C@H](C)[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189880 952936738 /nfs/dbraw/zinc/93/67/38/952936738.db2.gz YGSGHQWXXDHZFC-YPMHNXCESA-N 0 1 381.444 1.328 20 0 GDADMN Cc1ccc(F)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c1 ZINC001571196033 952979248 /nfs/dbraw/zinc/97/92/48/952979248.db2.gz GUVSZJRVGFQXDG-RISCZKNCSA-N 0 1 382.403 1.241 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)c3ncccc3F)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196926 952985205 /nfs/dbraw/zinc/98/52/05/952985205.db2.gz QAHPPKUOSZYPMO-BMIGLBTASA-N 0 1 382.403 1.099 20 0 GDADMN Cc1conc1C(=O)NCC1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571200121 953007823 /nfs/dbraw/zinc/00/78/23/953007823.db2.gz AWKDEPVDHPBZGS-UHFFFAOYSA-N 0 1 382.428 1.513 20 0 GDADMN Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571200585 953011058 /nfs/dbraw/zinc/01/10/58/953011058.db2.gz FEOSPAXRKAQKAM-OCCSQVGLSA-N 0 1 382.428 1.475 20 0 GDADMN Cc1nc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2C)co1 ZINC001571201327 953016058 /nfs/dbraw/zinc/01/60/58/953016058.db2.gz KCKLZHMGHYECMN-AAEUAGOBSA-N 0 1 382.428 1.394 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)on1 ZINC001571201635 953019265 /nfs/dbraw/zinc/01/92/65/953019265.db2.gz MAWXZLLATHIEBV-JSGCOSHPSA-N 0 1 382.428 1.381 20 0 GDADMN Cc1cc(NC[C@H]2CCN(C(=O)c3ccon3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202595 953026295 /nfs/dbraw/zinc/02/62/95/953026295.db2.gz VNZYJWNCOIEYBX-DGCLKSJQSA-N 0 1 382.428 1.190 20 0 GDADMN Cc1ncc(CN2CCCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)o1 ZINC001571206633 953054232 /nfs/dbraw/zinc/05/42/32/953054232.db2.gz SDOHBHFVVKRRBE-UHFFFAOYSA-N 0 1 382.428 1.229 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)[C@@H]1CC12CCC2 ZINC001571210025 953070450 /nfs/dbraw/zinc/07/04/50/953070450.db2.gz LWNTUSWAOHWUME-QSJFSLAZSA-N 0 1 382.443 1.742 20 0 GDADMN CC1(C)CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571213658 953096503 /nfs/dbraw/zinc/09/65/03/953096503.db2.gz SRYIZSMMOFGCOR-MQYQWHSLSA-N 0 1 382.472 1.709 20 0 GDADMN CC1(C)CC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571213607 953096952 /nfs/dbraw/zinc/09/69/52/953096952.db2.gz SDTBDWMWODHNJU-WTUNAVPPSA-N 0 1 382.472 1.709 20 0 GDADMN O=C(NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571216723 953103902 /nfs/dbraw/zinc/10/39/02/953103902.db2.gz ADBUOARLXKJTAY-QLFBSQMISA-N 0 1 382.472 1.568 20 0 GDADMN 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CC(C)[C@@H](CNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)[NH+]1CCOCC1 ZINC001590983106 991157495 /nfs/dbraw/zinc/15/74/95/991157495.db2.gz CUXWQVBXXJNYNU-WIYYLYMNSA-N 0 1 389.496 1.781 20 0 GDADMN CN(C)c1[nH+]cc(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])n1C ZINC001598353542 991457745 /nfs/dbraw/zinc/45/77/45/991457745.db2.gz CMVZQIPCZMWOGV-CQSZACIVSA-N 0 1 381.477 1.382 20 0 GDADMN CN(CC(=O)[O-])C(=O)CC[N@H+]1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001598404135 991708067 /nfs/dbraw/zinc/70/80/67/991708067.db2.gz BUBJJPLAFYSKSZ-AUUYWEPGSA-N 0 1 383.489 1.689 20 0 GDADMN CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccsc1C(=O)[O-] ZINC001598423864 991766236 /nfs/dbraw/zinc/76/62/36/991766236.db2.gz PZCCOKPLCKQTMX-UHFFFAOYSA-N 0 1 383.470 1.202 20 0 GDADMN C[N@@H+](C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)[O-])C[C@@H]1CCCO1 ZINC001598437062 991838014 /nfs/dbraw/zinc/83/80/14/991838014.db2.gz MYWBOHJAPJHNMW-CVEARBPZSA-N 0 1 375.425 1.421 20 0 GDADMN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001599758467 992087312 /nfs/dbraw/zinc/08/73/12/992087312.db2.gz OPYCONXYDWNXQZ-ZDUSSCGKSA-N 0 1 377.466 1.694 20 0 GDADMN CS(=O)(=O)NC[C@@H]1CC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001599758991 992094085 /nfs/dbraw/zinc/09/40/85/992094085.db2.gz CUIWCVBIOMFERR-NSHDSACASA-N 0 1 376.862 1.288 20 0 GDADMN CS(=O)(=O)NCC1CC[NH+]([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001599759070 992094508 /nfs/dbraw/zinc/09/45/08/992094508.db2.gz GHTSADGXRFBYMP-AWEZNQCLSA-N 0 1 378.853 1.866 20 0 GDADMN C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])C[C@H]1COc2ccccc2O1 ZINC001598478472 992111929 /nfs/dbraw/zinc/11/19/29/992111929.db2.gz PBEWUGBFTDSKNO-OLWAXZHHSA-N 0 1 378.450 1.650 20 0 GDADMN CC(C)C[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)CC(C)(C)C(=O)[O-] ZINC001591291267 992242857 /nfs/dbraw/zinc/24/28/57/992242857.db2.gz XHNNQWUHGBSBMJ-UHFFFAOYSA-N 0 1 389.452 1.920 20 0 GDADMN C[N@@H+](CCNC(=O)c1cnc2ccc(Br)cc2c1O)CC(=O)[O-] ZINC001598492520 992317658 /nfs/dbraw/zinc/31/76/58/992317658.db2.gz 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C[N@H+]1C[C@H](OC(=O)C2(c3cncc(Br)c3)CC2)C[C@]1(C)C(=O)[O-] ZINC001598569029 993176068 /nfs/dbraw/zinc/17/60/68/993176068.db2.gz GSVGGTUDLGBLGB-IUODEOHRSA-N 0 1 383.242 1.966 20 0 GDADMN C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001598570948 993192947 /nfs/dbraw/zinc/19/29/47/993192947.db2.gz VZIIZICRURHALO-XLKFXECMSA-N 0 1 375.194 1.680 20 0 GDADMN C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001598570948 993192953 /nfs/dbraw/zinc/19/29/53/993192953.db2.gz VZIIZICRURHALO-XLKFXECMSA-N 0 1 375.194 1.680 20 0 GDADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001598578907 993315011 /nfs/dbraw/zinc/31/50/11/993315011.db2.gz NKEMBZFHEXBQMS-HZPDHXFCSA-N 0 1 385.468 1.858 20 0 GDADMN Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cn1 ZINC001598579728 993323761 /nfs/dbraw/zinc/32/37/61/993323761.db2.gz CYOCJNIRAXTJLI-OALUTQOASA-N 0 1 382.464 1.739 20 0 GDADMN 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C[N@H+]1CCN(CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C[C@H](C(=O)[O-])C1 ZINC001598613703 993837085 /nfs/dbraw/zinc/83/70/85/993837085.db2.gz CTAHIUGRVUHBLF-SNVBAGLBSA-N 0 1 399.373 1.468 20 0 GDADMN C[N@@H+]1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C[C@H](C(=O)[O-])C1 ZINC001598613703 993837091 /nfs/dbraw/zinc/83/70/91/993837091.db2.gz CTAHIUGRVUHBLF-SNVBAGLBSA-N 0 1 399.373 1.468 20 0 GDADMN C[N@H+]1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C[C@H](C(=O)[O-])C1 ZINC001598613703 993837097 /nfs/dbraw/zinc/83/70/97/993837097.db2.gz CTAHIUGRVUHBLF-SNVBAGLBSA-N 0 1 399.373 1.468 20 0 GDADMN C[N@H+]1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598613835 993839667 /nfs/dbraw/zinc/83/96/67/993839667.db2.gz FCPWIJRWMWASRC-PMACEKPBSA-N 0 1 384.476 1.983 20 0 GDADMN CN1CC[N@H+](C[C@H](O)COc2ccc(C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598613835 993839674 /nfs/dbraw/zinc/83/96/74/993839674.db2.gz FCPWIJRWMWASRC-PMACEKPBSA-N 0 1 384.476 1.983 20 0 GDADMN CN1CC[N@@H+](C[C@H](O)COc2ccc(C(=O)[O-])cc2)C[C@@H]1Cc1ccccc1 ZINC001598613835 993839681 /nfs/dbraw/zinc/83/96/81/993839681.db2.gz FCPWIJRWMWASRC-PMACEKPBSA-N 0 1 384.476 1.983 20 0 GDADMN C[NH+]1CCN(CCCCNC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC001598615274 993866841 /nfs/dbraw/zinc/86/68/41/993866841.db2.gz BPWMSJJCJOALTG-RTBURBONSA-N 0 1 388.512 1.524 20 0 GDADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCc2cn(CC(=O)[O-])nn2)C1 ZINC001593130821 993875287 /nfs/dbraw/zinc/87/52/87/993875287.db2.gz IPGJXGZHIDTSDL-UONOGXRCSA-N 0 1 381.477 1.530 20 0 GDADMN C[N@H+]1CCN(Cc2cc3ccccc3nc2N2CCOCC2)C[C@@H](C(=O)[O-])C1 ZINC001598619225 993965375 /nfs/dbraw/zinc/96/53/75/993965375.db2.gz IHRJMQBRRFRNEQ-SFHVURJKSA-N 0 1 384.480 1.520 20 0 GDADMN CN1CC[N@H+](Cc2cc3ccccc3nc2N2CCOCC2)C[C@@H](C(=O)[O-])C1 ZINC001598619225 993965382 /nfs/dbraw/zinc/96/53/82/993965382.db2.gz IHRJMQBRRFRNEQ-SFHVURJKSA-N 0 1 384.480 1.520 20 0 GDADMN CN1CC[N@@H+](Cc2cc3ccccc3nc2N2CCOCC2)C[C@@H](C(=O)[O-])C1 ZINC001598619225 993965390 /nfs/dbraw/zinc/96/53/90/993965390.db2.gz IHRJMQBRRFRNEQ-SFHVURJKSA-N 0 1 384.480 1.520 20 0 GDADMN COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(CC(=O)[O-])c1 ZINC001599613585 993986431 /nfs/dbraw/zinc/98/64/31/993986431.db2.gz JTGDTVLRDPKXAD-BBRMVZONSA-N 0 1 382.482 1.427 20 0 GDADMN C[N@H+]1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)C[C@@H](C(=O)[O-])C1 ZINC001598621777 994017681 /nfs/dbraw/zinc/01/76/81/994017681.db2.gz VBDGVISTPVANMH-VIFPVBQESA-N 0 1 387.310 1.833 20 0 GDADMN COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(OC)c1C(=O)[O-] ZINC001599617254 994032179 /nfs/dbraw/zinc/03/21/79/994032179.db2.gz QHRJJJLHIJLJCF-NSHDSACASA-N 0 1 386.470 1.553 20 0 GDADMN COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(OC)c1C(=O)[O-] ZINC001599617254 994032185 /nfs/dbraw/zinc/03/21/85/994032185.db2.gz QHRJJJLHIJLJCF-NSHDSACASA-N 0 1 386.470 1.553 20 0 GDADMN C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3sc(C(C)(C)C)cc3C(=O)[O-])C[C@H]2C1 ZINC001598629012 994145977 /nfs/dbraw/zinc/14/59/77/994145977.db2.gz KJBRBKUEQARNBS-PHIMTYICSA-N 0 1 379.482 1.702 20 0 GDADMN C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001598632387 994191902 /nfs/dbraw/zinc/19/19/02/994191902.db2.gz VBYUAOTWEVQNHU-GOSISDBHSA-N 0 1 396.447 1.738 20 0 GDADMN C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC001598632387 994191904 /nfs/dbraw/zinc/19/19/04/994191904.db2.gz VBYUAOTWEVQNHU-GOSISDBHSA-N 0 1 396.447 1.738 20 0 GDADMN CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001598650028 994427628 /nfs/dbraw/zinc/42/76/28/994427628.db2.gz WDTFIEGZNQBZPG-OCCSQVGLSA-N 0 1 392.456 1.456 20 0 GDADMN C[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593253062 994510733 /nfs/dbraw/zinc/51/07/33/994510733.db2.gz XUOGRTDIYBKFMC-DZGCQCFKSA-N 0 1 387.461 1.930 20 0 GDADMN COc1cccc([C@H]2[C@H](NC(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)CC[N@H+]2C2CC2)c1 ZINC001599666844 994743186 /nfs/dbraw/zinc/74/31/86/994743186.db2.gz LCCKPANWBWCFFP-LFDJNIOPSA-N 0 1 385.464 1.945 20 0 GDADMN COc1cccc([C@@H]2[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC001599667047 994746573 /nfs/dbraw/zinc/74/65/73/994746573.db2.gz LCEMDPSUTQJCME-AFAVFJNCSA-N 0 1 382.482 1.613 20 0 GDADMN COc1cccc([C@@H]2[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])CC[N@H+]2C2CC2)c1 ZINC001599667047 994746586 /nfs/dbraw/zinc/74/65/86/994746586.db2.gz LCEMDPSUTQJCME-AFAVFJNCSA-N 0 1 382.482 1.613 20 0 GDADMN COC(=O)C1(NC(=O)C[N@H+](CCc2ccccc2)CC(=O)[O-])CCCCC1 ZINC001598722702 995498292 /nfs/dbraw/zinc/49/82/92/995498292.db2.gz TYGAPROFBJQOBK-UHFFFAOYSA-N 0 1 376.453 1.608 20 0 GDADMN COC(=O)C1(NC(=O)C[N@@H+](CCc2ccccc2)CC(=O)[O-])CCCCC1 ZINC001598722702 995498301 /nfs/dbraw/zinc/49/83/01/995498301.db2.gz TYGAPROFBJQOBK-UHFFFAOYSA-N 0 1 376.453 1.608 20 0 GDADMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC001598749238 995630423 /nfs/dbraw/zinc/63/04/23/995630423.db2.gz FZALXYIJPMMPQO-IPYPFGDCSA-N 0 1 389.370 1.947 20 0 GDADMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC001598749238 995630429 /nfs/dbraw/zinc/63/04/29/995630429.db2.gz FZALXYIJPMMPQO-IPYPFGDCSA-N 0 1 389.370 1.947 20 0 GDADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2cc(Br)cnc2OC)C1 ZINC001598772781 995899207 /nfs/dbraw/zinc/89/92/07/995899207.db2.gz ABSWBJDZNRTLTR-JOYOIKCWSA-N 0 1 387.230 1.691 20 0 GDADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2cc(Br)cnc2OC)C1 ZINC001598772781 995899210 /nfs/dbraw/zinc/89/92/10/995899210.db2.gz ABSWBJDZNRTLTR-JOYOIKCWSA-N 0 1 387.230 1.691 20 0 GDADMN C[C@H](Oc1ccccc1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)C(=O)[O-] ZINC001593645479 995974428 /nfs/dbraw/zinc/97/44/28/995974428.db2.gz KKBVVXGNSKJWTH-MEDUHNTESA-N 0 1 387.358 1.812 20 0 GDADMN C[C@@H](Oc1ccccc1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)C(=O)[O-] ZINC001593645476 995974740 /nfs/dbraw/zinc/97/47/40/995974740.db2.gz KKBVVXGNSKJWTH-BDJLRTHQSA-N 0 1 387.358 1.812 20 0 GDADMN C[C@H](Oc1ccccc1C[NH+]1CCN(c2ncccc2C(N)=O)CC1)C(=O)[O-] ZINC001593646406 995984427 /nfs/dbraw/zinc/98/44/27/995984427.db2.gz RBNDVBCWGBLUDM-AWEZNQCLSA-N 0 1 384.436 1.355 20 0 GDADMN COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@H]1C(=O)[O-] ZINC001598822746 996347898 /nfs/dbraw/zinc/34/78/98/996347898.db2.gz RZZHVZJKTRVGGP-IAGOWNOFSA-N 0 1 389.452 1.421 20 0 GDADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@H]1C(=O)[O-] ZINC001598822746 996347906 /nfs/dbraw/zinc/34/79/06/996347906.db2.gz RZZHVZJKTRVGGP-IAGOWNOFSA-N 0 1 389.452 1.421 20 0 GDADMN C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001593762331 996429189 /nfs/dbraw/zinc/42/91/89/996429189.db2.gz JZGJEFBMYNADGJ-KKVAFCGZSA-N 0 1 377.485 1.175 20 0 GDADMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC001593797167 996514265 /nfs/dbraw/zinc/51/42/65/996514265.db2.gz IRVFKFUORYTXNO-ZDUSSCGKSA-N 0 1 377.260 1.393 20 0 GDADMN COC(=O)C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C(=O)[O-] ZINC001598839645 996514615 /nfs/dbraw/zinc/51/46/15/996514615.db2.gz XHVDJPAELXQESM-UONOGXRCSA-N 0 1 384.379 1.276 20 0 GDADMN COC(=O)C[C@@H](OC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC001598871043 996737421 /nfs/dbraw/zinc/73/74/21/996737421.db2.gz KZBXYYLTKYQQDR-DVOMOZLQSA-N 0 1 379.409 1.469 20 0 GDADMN COC(=O)C[C@@H](OC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC001598871043 996737427 /nfs/dbraw/zinc/73/74/27/996737427.db2.gz KZBXYYLTKYQQDR-DVOMOZLQSA-N 0 1 379.409 1.469 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC001599380091 996821559 /nfs/dbraw/zinc/82/15/59/996821559.db2.gz FOJWGMFXBYNZGI-INIZCTEOSA-N 0 1 395.452 1.262 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC001599380253 996825799 /nfs/dbraw/zinc/82/57/99/996825799.db2.gz GWZCNNRFAPEDPU-MRXNPFEDSA-N 0 1 387.436 1.350 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC001599381275 996854290 /nfs/dbraw/zinc/85/42/90/996854290.db2.gz VPPFKBRESUHQSM-CVEARBPZSA-N 0 1 395.452 1.608 20 0 GDADMN COC(=O)[C@@H](NC(=O)C[NH+]1CCC(Cc2ncc(C(=O)[O-])s2)CC1)C(C)C ZINC001598894018 997044934 /nfs/dbraw/zinc/04/49/34/997044934.db2.gz GTQONUUYQJGIJY-INIZCTEOSA-N 0 1 397.497 1.410 20 0 GDADMN COC1([C@@H](C(=O)[O-])[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CCC1 ZINC001599083658 997053934 /nfs/dbraw/zinc/05/39/34/997053934.db2.gz XFPVBLMERCNZKD-RDTXWAMCSA-N 0 1 384.473 1.721 20 0 GDADMN COCc1cccc(CNC(=O)C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1 ZINC001599295647 997136415 /nfs/dbraw/zinc/13/64/15/997136415.db2.gz BHGTYCGFNIAEGF-VQTJNVASSA-N 0 1 398.459 1.955 20 0 GDADMN COC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC001599196327 997222626 /nfs/dbraw/zinc/22/26/26/997222626.db2.gz MQHGZQHSAPEGOJ-CWTRNNRKSA-N 0 1 378.425 1.857 20 0 GDADMN COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001599196438 997226429 /nfs/dbraw/zinc/22/64/29/997226429.db2.gz ZGZSWNLOXVMMLS-VBKZILBWSA-N 0 1 398.500 1.378 20 0 GDADMN COC[C@H]1CCCC[N@H+]1C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC001599203803 997367669 /nfs/dbraw/zinc/36/76/69/997367669.db2.gz WKYOEVLKSWVYQF-SJORKVTESA-N 0 1 389.452 1.811 20 0 GDADMN COc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)ccc1C(=O)[O-] ZINC001599408605 997379978 /nfs/dbraw/zinc/37/99/78/997379978.db2.gz AEUKUCAGYIDKOR-NVXWUHKLSA-N 0 1 386.452 1.479 20 0 GDADMN COc1cc(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC001599408908 997384327 /nfs/dbraw/zinc/38/43/27/997384327.db2.gz JFQSHXVPLIUOJW-OAQYLSRUSA-N 0 1 384.432 1.647 20 0 GDADMN COc1cc(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)ccc1C(=O)[O-] ZINC001599409061 997386519 /nfs/dbraw/zinc/38/65/19/997386519.db2.gz SGGTZEGJECVIAD-FQEVSTJZSA-N 0 1 397.475 1.998 20 0 GDADMN 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CO[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)s2)[C@H](C(=O)[O-])C1 ZINC001599119768 997716999 /nfs/dbraw/zinc/71/69/99/997716999.db2.gz HMTRXVSVRIOTOL-HIFRSBDPSA-N 0 1 381.498 1.200 20 0 GDADMN CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC001599126383 997858836 /nfs/dbraw/zinc/85/88/36/997858836.db2.gz ZMTZWSVKVGLIAA-FZMZJTMJSA-N 0 1 383.832 1.332 20 0 GDADMN COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001599231368 997862459 /nfs/dbraw/zinc/86/24/59/997862459.db2.gz ADEFJNYUUYAIQK-AWEZNQCLSA-N 0 1 377.445 1.336 20 0 GDADMN COc1cc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1C(=O)[O-] ZINC001599439182 997903213 /nfs/dbraw/zinc/90/32/13/997903213.db2.gz FSJUMIQVWFVJHN-GFCCVEGCSA-N 0 1 378.429 1.102 20 0 GDADMN CO[C@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599130794 997939911 /nfs/dbraw/zinc/93/99/11/997939911.db2.gz LSJGGMFWSIJJAJ-UZLBHIALSA-N 0 1 389.452 1.706 20 0 GDADMN 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GDADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000737031605 598865863 /nfs/dbraw/zinc/86/58/63/598865863.db2.gz AIXGYQDDURAKRT-UHFFFAOYSA-N 0 1 392.379 1.474 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000737187290 598922550 /nfs/dbraw/zinc/92/25/50/598922550.db2.gz POHCNXAXOQDHIC-KRWDZBQOSA-N 0 1 386.437 1.327 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000737297313 598954473 /nfs/dbraw/zinc/95/44/73/598954473.db2.gz HRVCVDXOJRKPDC-CQSZACIVSA-N 0 1 378.502 1.574 20 0 GDADMN Cc1c(NCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cccc1-c1nn[nH]n1 ZINC000822121773 607256572 /nfs/dbraw/zinc/25/65/72/607256572.db2.gz GPYGBHOIVYBUTF-OAHLLOKOSA-N 0 1 387.488 1.060 20 0 GDADMN CCOCCN1CCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)C[C@H]1CC ZINC000736620640 599201884 /nfs/dbraw/zinc/20/18/84/599201884.db2.gz YFIPHXGCSYJYLB-DOOKAGJSSA-N 0 1 384.484 1.839 20 0 GDADMN NC(=O)[C@@H](Sc1nc(-c2ccccn2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737560 599222392 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CC(=O)NCC[N@H+](Cc1cc2c(cc1Br)OCO2)[C@H](C)C(=O)[O-] ZINC000263435359 597679180 /nfs/dbraw/zinc/67/91/80/597679180.db2.gz UIYWYTNYZZSSPL-SECBINFHSA-N 0 1 387.230 1.589 20 0 GDADMN CC(=O)NCC[N@@H+](Cc1cc2c(cc1Br)OCO2)[C@H](C)C(=O)[O-] ZINC000263435359 597679182 /nfs/dbraw/zinc/67/91/82/597679182.db2.gz UIYWYTNYZZSSPL-SECBINFHSA-N 0 1 387.230 1.589 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1-c1nn[nH]n1 ZINC000737185708 599276017 /nfs/dbraw/zinc/27/60/17/599276017.db2.gz BRXACNDVMUXEBF-UHFFFAOYSA-N 0 1 395.408 1.727 20 0 GDADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000736757781 599280594 /nfs/dbraw/zinc/28/05/94/599280594.db2.gz CYCRNEJXPUKUAI-MRXNPFEDSA-N 0 1 397.414 1.363 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2ccc3c(c2)COC3)cc1-c1nn[nH]n1 ZINC000821978906 607324897 /nfs/dbraw/zinc/32/48/97/607324897.db2.gz NRNIDGBTYLSZKF-UHFFFAOYSA-N 0 1 384.421 1.649 20 0 GDADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000821530188 598065355 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598366555 /nfs/dbraw/zinc/36/65/55/598366555.db2.gz GVYURENZZMLTIG-UHFFFAOYSA-N 0 1 384.484 1.718 20 0 GDADMN C[C@H](NCc1ccc(-c2nn[nH]n2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000736133227 598466685 /nfs/dbraw/zinc/46/66/85/598466685.db2.gz GNTODCNYINIXEY-ZDUSSCGKSA-N 0 1 386.481 1.968 20 0 GDADMN CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000736565702 598487138 /nfs/dbraw/zinc/48/71/38/598487138.db2.gz OETWCMOMZGNESG-LLVKDONJSA-N 0 1 387.513 1.933 20 0 GDADMN CC[N@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)C1 ZINC000736565702 598487139 /nfs/dbraw/zinc/48/71/39/598487139.db2.gz OETWCMOMZGNESG-LLVKDONJSA-N 0 1 387.513 1.933 20 0 GDADMN CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC000736565702 598487141 /nfs/dbraw/zinc/48/71/41/598487141.db2.gz OETWCMOMZGNESG-LLVKDONJSA-N 0 1 387.513 1.933 20 0 GDADMN CC[N@H+]1CC[C@H](CNC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC000736565702 598487143 /nfs/dbraw/zinc/48/71/43/598487143.db2.gz 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GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000822614918 606164618 /nfs/dbraw/zinc/16/46/18/606164618.db2.gz XHWOJISTFIODMK-HNNXBMFYSA-N 0 1 395.471 1.634 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000822614918 606164619 /nfs/dbraw/zinc/16/46/19/606164619.db2.gz XHWOJISTFIODMK-HNNXBMFYSA-N 0 1 395.471 1.634 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000822614918 606164620 /nfs/dbraw/zinc/16/46/20/606164620.db2.gz XHWOJISTFIODMK-HNNXBMFYSA-N 0 1 395.471 1.634 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000822614918 606164621 /nfs/dbraw/zinc/16/46/21/606164621.db2.gz XHWOJISTFIODMK-HNNXBMFYSA-N 0 1 395.471 1.634 20 0 GDADMN CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821222479 606171222 /nfs/dbraw/zinc/17/12/22/606171222.db2.gz UTNQCVPROLJJMI-UHFFFAOYSA-N 0 1 383.460 1.716 20 0 GDADMN CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821222479 606171223 /nfs/dbraw/zinc/17/12/23/606171223.db2.gz UTNQCVPROLJJMI-UHFFFAOYSA-N 0 1 383.460 1.716 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000822005997 606295652 /nfs/dbraw/zinc/29/56/52/606295652.db2.gz WNIFEQPLXIODIG-AWEZNQCLSA-N 0 1 399.455 1.529 20 0 GDADMN C[C@@H](COC1CCCC1)CS(=O)(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC000530140665 649965857 /nfs/dbraw/zinc/96/58/57/649965857.db2.gz IYVUPRZADCODSE-AWEZNQCLSA-N 0 1 376.519 1.392 20 0 GDADMN Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(F)cc3-c3nn[nH]n3)[nH]c2c1 ZINC000822270884 606405078 /nfs/dbraw/zinc/40/50/78/606405078.db2.gz BLYZUSSHYLYFJA-UHFFFAOYSA-N 0 1 394.370 1.445 20 0 GDADMN O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000823541519 606408239 /nfs/dbraw/zinc/40/82/39/606408239.db2.gz PSQQPTNDXZFBED-UHFFFAOYSA-N 0 1 389.485 1.663 20 0 GDADMN O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000823541519 606408241 /nfs/dbraw/zinc/40/82/41/606408241.db2.gz PSQQPTNDXZFBED-UHFFFAOYSA-N 0 1 389.485 1.663 20 0 GDADMN c1cc(-c2nnn[n-]2)sc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000823810491 606408807 /nfs/dbraw/zinc/40/88/07/606408807.db2.gz YXBKEAMRPXEWMX-UHFFFAOYSA-N 0 1 385.501 1.020 20 0 GDADMN c1cc(-c2nn[n-]n2)sc1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000823810491 606408808 /nfs/dbraw/zinc/40/88/08/606408808.db2.gz YXBKEAMRPXEWMX-UHFFFAOYSA-N 0 1 385.501 1.020 20 0 GDADMN O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000823566264 606411894 /nfs/dbraw/zinc/41/18/94/606411894.db2.gz DFKNXWYHOZOIFF-UHFFFAOYSA-N 0 1 378.483 1.137 20 0 GDADMN CN(c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1)S(C)(=O)=O ZINC000821618987 606418644 /nfs/dbraw/zinc/41/86/44/606418644.db2.gz DRLQSVYKYBONBW-UHFFFAOYSA-N 0 1 378.483 1.614 20 0 GDADMN CN(c1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1)S(C)(=O)=O ZINC000821618987 606418645 /nfs/dbraw/zinc/41/86/45/606418645.db2.gz DRLQSVYKYBONBW-UHFFFAOYSA-N 0 1 378.483 1.614 20 0 GDADMN CC1(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)CC1 ZINC000820618697 606441444 /nfs/dbraw/zinc/44/14/44/606441444.db2.gz MHQDOMTYBVVLGY-UHFFFAOYSA-N 0 1 398.427 1.746 20 0 GDADMN CO[C@H](C)c1nc(CNC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cs1 ZINC000821675786 606475353 /nfs/dbraw/zinc/47/53/53/606475353.db2.gz TUUQFCZADMAOOI-ZJUUUORDSA-N 0 1 375.462 1.059 20 0 GDADMN CN1CCN(C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)cs2)c2ccccc2)CC1 ZINC000821627264 606505624 /nfs/dbraw/zinc/50/56/24/606505624.db2.gz UNAKHOJKTHPOIP-MRXNPFEDSA-N 0 1 397.508 1.647 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC[C@H](O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821979227 606658711 /nfs/dbraw/zinc/65/87/11/606658711.db2.gz QBUOONDZCMZVHQ-ZDUSSCGKSA-N 0 1 386.437 1.543 20 0 GDADMN Cc1cc(CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]n1 ZINC000822198684 606663787 /nfs/dbraw/zinc/66/37/87/606663787.db2.gz GFAKWZNIHXYSHY-UHFFFAOYSA-N 0 1 380.456 1.175 20 0 GDADMN O=C(C[C@@H]1CCCCO1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822940942 606669709 /nfs/dbraw/zinc/66/97/09/606669709.db2.gz KRTDMOYINOEBDO-ZDUSSCGKSA-N 0 1 387.444 1.340 20 0 GDADMN C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000820316453 606699175 /nfs/dbraw/zinc/69/91/75/606699175.db2.gz WAPBGZMDWDTNPF-CHWSQXEVSA-N 0 1 397.487 1.302 20 0 GDADMN C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000820316453 606699176 /nfs/dbraw/zinc/69/91/76/606699176.db2.gz WAPBGZMDWDTNPF-CHWSQXEVSA-N 0 1 397.487 1.302 20 0 GDADMN Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822293840 606703309 /nfs/dbraw/zinc/70/33/09/606703309.db2.gz NTTQDFKUUMQSAQ-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822293840 606703310 /nfs/dbraw/zinc/70/33/10/606703310.db2.gz NTTQDFKUUMQSAQ-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN CN1CCO[C@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(Cl)c43)C[C@@H]21 ZINC000821628702 606725956 /nfs/dbraw/zinc/72/59/56/606725956.db2.gz OJZUOYHQNWTIQT-STQMWFEESA-N 0 1 389.822 1.727 20 0 GDADMN CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000820128973 606737415 /nfs/dbraw/zinc/73/74/15/606737415.db2.gz TWOWUZPNEXMZRE-NSHDSACASA-N 0 1 391.863 1.305 20 0 GDADMN COCCC1(CNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CCC1 ZINC000821686599 606769023 /nfs/dbraw/zinc/76/90/23/606769023.db2.gz XWVXRWOKHARNIR-UHFFFAOYSA-N 0 1 378.458 1.626 20 0 GDADMN CC(C)(C)OC(=O)N[C@H]1CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819939688 606855072 /nfs/dbraw/zinc/85/50/72/606855072.db2.gz IFKDZYQHYGLOHF-HOTGVXAUSA-N 0 1 388.472 1.889 20 0 GDADMN COc1cc(Br)ccc1CN1CCN(C(=O)N2CCNCC2)CC1 ZINC000530242115 649968593 /nfs/dbraw/zinc/96/85/93/649968593.db2.gz KUXNWFSWHNGZNN-UHFFFAOYSA-N 0 1 397.317 1.601 20 0 GDADMN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)O1 ZINC000820678599 606864852 /nfs/dbraw/zinc/86/48/52/606864852.db2.gz WELYVYYKZYGZKF-YPMHNXCESA-N 0 1 399.411 1.331 20 0 GDADMN CCN1CCC(N(C)S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000821254648 606884779 /nfs/dbraw/zinc/88/47/79/606884779.db2.gz NZIJUKIBERSOKR-UHFFFAOYSA-N 0 1 386.428 1.250 20 0 GDADMN CCc1noc(CC)c1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821558822 606895741 /nfs/dbraw/zinc/89/57/41/606895741.db2.gz GJXYJARIIVAEAF-UHFFFAOYSA-N 0 1 398.395 1.736 20 0 GDADMN COc1ccc(CN(CCO)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821794838 606897926 /nfs/dbraw/zinc/89/79/26/606897926.db2.gz NRRPMLMRHFAIOU-SFHVURJKSA-N 0 1 399.451 1.412 20 0 GDADMN Cc1nc([C@H]2CN(c3ccc(C(F)(F)F)cc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000822418821 606943895 /nfs/dbraw/zinc/94/38/95/606943895.db2.gz GQXOYHPKGJWPDM-GFCCVEGCSA-N 0 1 380.334 1.890 20 0 GDADMN COCn1nccc1S(=O)(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000530374730 649971007 /nfs/dbraw/zinc/97/10/07/649971007.db2.gz AVGXTGHTJNDWNV-CZUORRHYSA-N 0 1 384.527 1.910 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc(-n3ccnn3)c2)cc1-c1nn[nH]n1 ZINC000821978160 607168949 /nfs/dbraw/zinc/16/89/49/607168949.db2.gz KBFPILWPBGSVTP-UHFFFAOYSA-N 0 1 395.408 1.522 20 0 GDADMN CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Oc2ccccc2)cc1 ZINC000821571917 607212020 /nfs/dbraw/zinc/21/20/20/607212020.db2.gz KSHLSIZIHNSRNE-UHFFFAOYSA-N 0 1 376.380 1.914 20 0 GDADMN CC(C)(CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000819980658 607213134 /nfs/dbraw/zinc/21/31/34/607213134.db2.gz HBYNIHXQOXTKNS-UHFFFAOYSA-N 0 1 394.361 1.571 20 0 GDADMN COc1ccccc1SC[C@H](C)CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821903973 607214678 /nfs/dbraw/zinc/21/46/78/607214678.db2.gz PCYAPZNDXHKHFL-LLVKDONJSA-N 0 1 388.457 1.011 20 0 GDADMN Cc1ccc(C)c([C@@H]2CN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)[C@H](C)CO2)c1 ZINC000822232114 607219622 /nfs/dbraw/zinc/21/96/22/607219622.db2.gz UJQYOTWTJQDMSK-HIFRSBDPSA-N 0 1 382.428 1.064 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NCCN2CCN(c3ccc(F)cc3)CC2)n1 ZINC000822215224 607227564 /nfs/dbraw/zinc/22/75/64/607227564.db2.gz RVHAZOSFVPPSFK-UHFFFAOYSA-N 0 1 382.447 1.943 20 0 GDADMN NS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000822895166 607236614 /nfs/dbraw/zinc/23/66/14/607236614.db2.gz MJSQFGALEDWCML-OAHLLOKOSA-N 0 1 384.465 1.397 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1c(-c2ccco2)nc2ccccn21 ZINC000823131793 607239590 /nfs/dbraw/zinc/23/95/90/607239590.db2.gz OYWWGHJJYHEBGC-UHFFFAOYSA-N 0 1 376.340 1.005 20 0 GDADMN O=C(N[C@@H]1CCOC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826431593 607774818 /nfs/dbraw/zinc/77/48/18/607774818.db2.gz GICZJVZZBFCARN-GFCCVEGCSA-N 0 1 399.411 1.236 20 0 GDADMN CCOc1ccc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825638417 607815507 /nfs/dbraw/zinc/81/55/07/607815507.db2.gz KYVAEGBUJFCOAA-UHFFFAOYSA-N 0 1 387.465 1.829 20 0 GDADMN CO[C@@H]1CC[C@H]2OCCN(CCC(=O)Nc3sccc3-c3nn[nH]n3)[C@@H]2C1 ZINC000826145325 607858834 /nfs/dbraw/zinc/85/88/34/607858834.db2.gz DHQJKBFTMKBCPJ-MRVWCRGKSA-N 0 1 392.485 1.525 20 0 GDADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N(C)C[C@@H]1CCC[C@@H]1O ZINC000824051771 607859749 /nfs/dbraw/zinc/85/97/49/607859749.db2.gz DKNJHCRBHBMULM-MDZLAQPJSA-N 0 1 390.513 1.837 20 0 GDADMN CN(CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@@H]1CCC[C@H]1O ZINC000825892142 607859889 /nfs/dbraw/zinc/85/98/89/607859889.db2.gz GYPFRZNPCYCYST-XJKSGUPXSA-N 0 1 396.455 1.084 20 0 GDADMN CC(C)(C)c1nc(-c2nn[nH]n2)c(NNC(=S)NC[C@@H]2CCCCO2)o1 ZINC000824141494 607967068 /nfs/dbraw/zinc/96/70/68/607967068.db2.gz IEAFXTZKLHHEKK-VIFPVBQESA-N 0 1 380.478 1.512 20 0 GDADMN O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488921 607971472 /nfs/dbraw/zinc/97/14/72/607971472.db2.gz CLXVVAPGZBUWGU-UONOGXRCSA-N 0 1 393.375 1.082 20 0 GDADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826028812 607982921 /nfs/dbraw/zinc/98/29/21/607982921.db2.gz IHSGOIUUGLUMNE-IRXDYDNUSA-N 0 1 391.435 1.367 20 0 GDADMN CC[C@H](OC1CCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825152859 608019346 /nfs/dbraw/zinc/01/93/46/608019346.db2.gz DKIMDRJRYTUOJF-ZDUSSCGKSA-N 0 1 376.465 1.418 20 0 GDADMN CC[C@H](OC1CCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825152859 608019347 /nfs/dbraw/zinc/01/93/47/608019347.db2.gz DKIMDRJRYTUOJF-ZDUSSCGKSA-N 0 1 376.465 1.418 20 0 GDADMN CCO[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825576527 608020302 /nfs/dbraw/zinc/02/03/02/608020302.db2.gz JBMCKHQUCWPWGU-OAHLLOKOSA-N 0 1 384.444 1.458 20 0 GDADMN CCO[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825576527 608020303 /nfs/dbraw/zinc/02/03/03/608020303.db2.gz JBMCKHQUCWPWGU-OAHLLOKOSA-N 0 1 384.444 1.458 20 0 GDADMN CCc1noc2ncc(C(=O)Nc3n[nH]c(CCC[NH2+]C)c3-c3nnn[n-]3)cc12 ZINC000825776061 608021711 /nfs/dbraw/zinc/02/17/11/608021711.db2.gz DOHVSLBZULRLBL-UHFFFAOYSA-N 0 1 396.415 1.093 20 0 GDADMN CCc1noc2ncc(C(=O)Nc3n[nH]c(CCC[NH2+]C)c3-c3nn[n-]n3)cc12 ZINC000825776061 608021712 /nfs/dbraw/zinc/02/17/12/608021712.db2.gz DOHVSLBZULRLBL-UHFFFAOYSA-N 0 1 396.415 1.093 20 0 GDADMN COCCN(CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157886 608033141 /nfs/dbraw/zinc/03/31/41/608033141.db2.gz PXKXWOPMNMTZDA-OAHLLOKOSA-N 0 1 379.486 1.140 20 0 GDADMN Cn1c(CC[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nc2ccccc21 ZINC000825935209 608034539 /nfs/dbraw/zinc/03/45/39/608034539.db2.gz WYKYSVOVJLPFFV-UHFFFAOYSA-N 0 1 380.460 1.166 20 0 GDADMN Cn1c(CC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nc2ccccc21 ZINC000825935209 608034540 /nfs/dbraw/zinc/03/45/40/608034540.db2.gz WYKYSVOVJLPFFV-UHFFFAOYSA-N 0 1 380.460 1.166 20 0 GDADMN Cn1c(CC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc2ccccc21 ZINC000825935209 608034541 /nfs/dbraw/zinc/03/45/41/608034541.db2.gz WYKYSVOVJLPFFV-UHFFFAOYSA-N 0 1 380.460 1.166 20 0 GDADMN Cn1c(CC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc2ccccc21 ZINC000825935209 608034542 /nfs/dbraw/zinc/03/45/42/608034542.db2.gz WYKYSVOVJLPFFV-UHFFFAOYSA-N 0 1 380.460 1.166 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC000826266480 608065898 /nfs/dbraw/zinc/06/58/98/608065898.db2.gz 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ZINC000826332384 608313569 /nfs/dbraw/zinc/31/35/69/608313569.db2.gz SFXIVURMBACHQQ-HNNXBMFYSA-N 0 1 380.456 1.591 20 0 GDADMN CN1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C(C)(C)C1 ZINC000826033398 608383852 /nfs/dbraw/zinc/38/38/52/608383852.db2.gz CBXANJOGMUZOAI-UHFFFAOYSA-N 0 1 385.472 1.528 20 0 GDADMN COCc1cccc(CNC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826164725 608464491 /nfs/dbraw/zinc/46/44/91/608464491.db2.gz MYDUSQLXGHMARP-CQSZACIVSA-N 0 1 380.452 1.980 20 0 GDADMN COc1cccc(S(=O)(=O)CCN[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826217492 608485157 /nfs/dbraw/zinc/48/51/57/608485157.db2.gz OZLXLYPESZTOAU-CYBMUJFWSA-N 0 1 387.465 2.000 20 0 GDADMN C[C@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1sccc1C(N)=O ZINC000824532843 608488122 /nfs/dbraw/zinc/48/81/22/608488122.db2.gz XEBZWDYJOZAQQB-UWVGGRQHSA-N 0 1 385.453 1.705 20 0 GDADMN O=S(=O)(NCCNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000826490803 608533067 /nfs/dbraw/zinc/53/30/67/608533067.db2.gz IAIHSNGILCHERB-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/14/28/57/946142857.db2.gz LZGYIOSLWSSHND-ZBEGNZNMSA-N 0 1 390.398 1.131 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H](NCc2cccc(F)c2Cl)C1 ZINC001571294888 946147675 /nfs/dbraw/zinc/14/76/75/946147675.db2.gz PGAIHSOTYZWUEP-GFCCVEGCSA-N 0 1 389.822 1.992 20 0 GDADMN CC[C@H](C(=O)N1CC[C@H](CN(C)c2cccc(F)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571295502 946166547 /nfs/dbraw/zinc/16/65/47/946166547.db2.gz VNZSTPGHCQRBDR-UKRRQHHQSA-N 0 1 389.479 1.631 20 0 GDADMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001571295765 946173676 /nfs/dbraw/zinc/17/36/76/946173676.db2.gz FIIBNUROTRPAHI-IJLUTSLNSA-N 0 1 390.448 1.131 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@]3(CCN(c4ccncc4-c4nn[nH]n4)C3)C2)cn1 ZINC001571298173 946207848 /nfs/dbraw/zinc/20/78/48/946207848.db2.gz BGSRWNLWXONSPW-FQEVSTJZSA-N 0 1 390.451 1.708 20 0 GDADMN CC1(C)C[C@@H]1C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571298179 946209668 /nfs/dbraw/zinc/20/96/68/946209668.db2.gz BIHUEJHZIRGOOK-OAHLLOKOSA-N 0 1 390.451 1.839 20 0 GDADMN CC[C@@H](SC)C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571298749 946226725 /nfs/dbraw/zinc/22/67/25/946226725.db2.gz CVZQTZYVVCXGDS-CHWSQXEVSA-N 0 1 390.517 1.473 20 0 GDADMN CC[C@H](SC)C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571298751 946228014 /nfs/dbraw/zinc/22/80/14/946228014.db2.gz CVZQTZYVVCXGDS-OLZOCXBDSA-N 0 1 390.517 1.473 20 0 GDADMN Cc1nc(Cl)sc1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571299026 946237875 /nfs/dbraw/zinc/23/78/75/946237875.db2.gz HGZBTCVIROBAIU-KYZUINATSA-N 0 1 390.860 1.475 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571299261 946244565 /nfs/dbraw/zinc/24/45/65/946244565.db2.gz VJPGTSZFBQLDOS-HRCADAONSA-N 0 1 390.451 1.545 20 0 GDADMN CCO[C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299860 946265425 /nfs/dbraw/zinc/26/54/25/946265425.db2.gz PQTIKFNNIQJZIA-LSDHHAIUSA-N 0 1 390.513 1.681 20 0 GDADMN CCO[C@@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299860 946265437 /nfs/dbraw/zinc/26/54/37/946265437.db2.gz PQTIKFNNIQJZIA-LSDHHAIUSA-N 0 1 390.513 1.681 20 0 GDADMN CCc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571300018 946270323 /nfs/dbraw/zinc/27/03/23/946270323.db2.gz YDYWZCWPNKXPTR-KBMXLJTQSA-N 0 1 390.451 1.759 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302934 946318825 /nfs/dbraw/zinc/31/88/25/946318825.db2.gz DSKRYSYDRCYBHF-XJKSGUPXSA-N 0 1 391.435 1.181 20 0 GDADMN Cc1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)n[nH]1 ZINC001571303880 946349069 /nfs/dbraw/zinc/34/90/69/946349069.db2.gz RVLWINYGYBATTD-HNNXBMFYSA-N 0 1 391.432 1.953 20 0 GDADMN O=C(CCn1cccc1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571306693 946406992 /nfs/dbraw/zinc/40/69/92/946406992.db2.gz ZQOKQWOEWWXLAH-KDURUIRLSA-N 0 1 391.479 1.934 20 0 GDADMN CN(C[C@@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571307392 946422191 /nfs/dbraw/zinc/42/21/91/946422191.db2.gz CYBQLKSZFHRDDD-RYUDHWBXSA-N 0 1 392.414 1.377 20 0 GDADMN O=C([C@@H]1CCC1(F)F)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571308084 946429356 /nfs/dbraw/zinc/42/93/56/946429356.db2.gz LXJZKBZNFHFMOQ-RYUDHWBXSA-N 0 1 392.414 1.165 20 0 GDADMN O=C([C@@H]1CCC1(F)F)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571308084 946429365 /nfs/dbraw/zinc/42/93/65/946429365.db2.gz LXJZKBZNFHFMOQ-RYUDHWBXSA-N 0 1 392.414 1.165 20 0 GDADMN CC1(C)C[C@H]1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F ZINC001571308739 946435235 /nfs/dbraw/zinc/43/52/35/946435235.db2.gz SPSZKWLJLLAFMT-QWRGUYRKSA-N 0 1 392.414 1.281 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000325665987 971235176 /nfs/dbraw/zinc/23/51/76/971235176.db2.gz ISRWOFKMMHPTQV-NSHDSACASA-N 0 1 376.862 1.762 20 0 GDADMN CCc1ccnc(C(=O)N2CC[C@](C)(CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571312913 946505407 /nfs/dbraw/zinc/50/54/07/946505407.db2.gz FMPJXALYMOSXGW-HXUWFJFHSA-N 0 1 392.467 1.605 20 0 GDADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccccc3-c3nn[nH]n3)cc21 ZINC000823988202 946533088 /nfs/dbraw/zinc/53/30/88/946533088.db2.gz FBTUAJUWTAEMRO-UHFFFAOYSA-N 0 1 384.421 1.577 20 0 GDADMN CCc1ccc(CC(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nc1 ZINC001571314031 946540188 /nfs/dbraw/zinc/54/01/88/946540188.db2.gz YYGKBAHDXSKJGF-BBRMVZONSA-N 0 1 392.467 1.285 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)nn1 ZINC001571315131 946547904 /nfs/dbraw/zinc/54/79/04/946547904.db2.gz GLHJYGKOWREFFB-QGZVFWFLSA-N 0 1 392.467 1.606 20 0 GDADMN Cc1cccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)c1C ZINC001571315442 946552627 /nfs/dbraw/zinc/55/26/27/946552627.db2.gz KXSPRIZBTYOQQV-HNNXBMFYSA-N 0 1 392.467 1.658 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[nH]n3)cc2)n(C)n1 ZINC001571315682 946558219 /nfs/dbraw/zinc/55/82/19/946558219.db2.gz NYZKBWASWRQVMX-ZACQAIPSSA-N 0 1 392.467 1.444 20 0 GDADMN Cc1cc(NC2CC(N(C)C(=O)c3cc(C)c(C)cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315846 946560653 /nfs/dbraw/zinc/56/06/53/946560653.db2.gz PJBLUQIZWQLECS-UHFFFAOYSA-N 0 1 392.467 1.719 20 0 GDADMN Cc1cc(C)cc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)c1 ZINC001571316064 946563228 /nfs/dbraw/zinc/56/32/28/946563228.db2.gz SVLRDTKOCLKEHF-OAHLLOKOSA-N 0 1 392.467 1.658 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571316498 946579329 /nfs/dbraw/zinc/57/93/29/946579329.db2.gz DPIXMSVGKNLRCR-ZBFHGGJFSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cnc(C(=O)N[C@H]2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)cc1C ZINC001571316695 946584428 /nfs/dbraw/zinc/58/44/28/946584428.db2.gz KBAWLAYFQMWEHJ-HOCLYGCPSA-N 0 1 392.467 1.706 20 0 GDADMN O=C(CCc1ccncc1)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571316738 946587090 /nfs/dbraw/zinc/58/70/90/946587090.db2.gz LCOPPYGYAKHKSB-INIZCTEOSA-N 0 1 392.467 1.504 20 0 GDADMN O=C(Cn1ccnc1)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571317160 946601539 /nfs/dbraw/zinc/60/15/39/946601539.db2.gz WUHOQYMQFWMFLL-PXNSSMCTSA-N 0 1 392.467 1.234 20 0 GDADMN C[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1NC(=O)c1ccn(C)c1 ZINC001571317351 946606303 /nfs/dbraw/zinc/60/63/03/946606303.db2.gz DVRYNBASKOIDDJ-PSASIEDQSA-N 0 1 392.876 1.570 20 0 GDADMN O=C(CC1OCCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571317411 946609002 /nfs/dbraw/zinc/60/90/02/946609002.db2.gz HADPKTVQFZPCIA-GFCCVEGCSA-N 0 1 392.485 1.162 20 0 GDADMN O=C(CC1OCCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571317411 946609008 /nfs/dbraw/zinc/60/90/08/946609008.db2.gz HADPKTVQFZPCIA-GFCCVEGCSA-N 0 1 392.485 1.162 20 0 GDADMN CC(=O)Nc1cc(C(=O)Nc2c[nH]nc2-c2nn[nH]n2)cc(C(F)(F)F)c1 ZINC001573543362 946806176 /nfs/dbraw/zinc/80/61/76/946806176.db2.gz XRHIPOVIKWVDOY-UHFFFAOYSA-N 0 1 380.290 1.819 20 0 GDADMN CC(=O)Nc1ccccc1CC(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001573548788 946859003 /nfs/dbraw/zinc/85/90/03/946859003.db2.gz VJGOCFOADLWHNG-UHFFFAOYSA-N 0 1 376.380 1.883 20 0 GDADMN CC(=O)Nc1cccc2c1CN(S(=O)(=O)c1ccc(-c3nn[nH]n3)o1)CC2 ZINC001573548984 946863374 /nfs/dbraw/zinc/86/33/74/946863374.db2.gz ZSLWQXHSXCIWEY-UHFFFAOYSA-N 0 1 388.409 1.165 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCc1cccc(F)c1 ZINC000824999942 947033068 /nfs/dbraw/zinc/03/30/68/947033068.db2.gz KURBCKRJKYDCMB-CQSZACIVSA-N 0 1 382.447 1.939 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCc1cccc(F)c1 ZINC000824999942 947033077 /nfs/dbraw/zinc/03/30/77/947033077.db2.gz KURBCKRJKYDCMB-CQSZACIVSA-N 0 1 382.447 1.939 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCCc1cccc(F)c1 ZINC000824999942 947033086 /nfs/dbraw/zinc/03/30/86/947033086.db2.gz KURBCKRJKYDCMB-CQSZACIVSA-N 0 1 382.447 1.939 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCCc1cccc(F)c1 ZINC000824999942 947033095 /nfs/dbraw/zinc/03/30/95/947033095.db2.gz KURBCKRJKYDCMB-CQSZACIVSA-N 0 1 382.447 1.939 20 0 GDADMN CC[C@H](C)NC(=O)[C@@H](C)NCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825068701 947064219 /nfs/dbraw/zinc/06/42/19/947064219.db2.gz VNFAFWUSNCMZAJ-QWHCGFSZSA-N 0 1 382.472 1.660 20 0 GDADMN CC[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)[N@@H+]1CCc2ccccc2C1 ZINC000825122128 947088374 /nfs/dbraw/zinc/08/83/74/947088374.db2.gz XFIIYKRVFMWFFB-MRXNPFEDSA-N 0 1 395.467 1.659 20 0 GDADMN CC[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)[N@H+]1CCc2ccccc2C1 ZINC000825122128 947088389 /nfs/dbraw/zinc/08/83/89/947088389.db2.gz XFIIYKRVFMWFFB-MRXNPFEDSA-N 0 1 395.467 1.659 20 0 GDADMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)ccc1F ZINC000825560982 947221181 /nfs/dbraw/zinc/22/11/81/947221181.db2.gz YSMZSMKLFGNLOJ-UHFFFAOYSA-N 0 1 391.384 1.983 20 0 GDADMN CCOc1cccc([C@@H]2C[C@H]2N[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648737 947269808 /nfs/dbraw/zinc/26/98/08/947269808.db2.gz ACZCBSBHSPEOPY-KSZLIROESA-N 0 1 378.436 1.938 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573593176 947364405 /nfs/dbraw/zinc/36/44/05/947364405.db2.gz REGCYPKHYRATBQ-DZGCQCFKSA-N 0 1 387.488 1.344 20 0 GDADMN C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573593770 947376192 /nfs/dbraw/zinc/37/61/92/947376192.db2.gz VSNODQDEBTVOOD-CJNGLKHVSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC001573598851 947446668 /nfs/dbraw/zinc/44/66/68/947446668.db2.gz SMNSBEXAMQQISO-MAUKXSAKSA-N 0 1 379.468 1.962 20 0 GDADMN C[C@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573613837 947572796 /nfs/dbraw/zinc/57/27/96/947572796.db2.gz JNLXFBYJJJHBDP-ZJUUUORDSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573614142 947577991 /nfs/dbraw/zinc/57/79/91/947577991.db2.gz CFQHZNIJVZPXCK-QWRGUYRKSA-N 0 1 380.403 1.020 20 0 GDADMN C[C@@H](C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573614221 947581408 /nfs/dbraw/zinc/58/14/08/947581408.db2.gz DGPWQGBEIRZACF-AWEZNQCLSA-N 0 1 380.456 1.539 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573615893 947612308 /nfs/dbraw/zinc/61/23/08/947612308.db2.gz UEZKYUDLGUHZKX-OLMNPRSZSA-N 0 1 392.467 1.500 20 0 GDADMN C[C@@H](C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)C(F)(F)F ZINC001573616215 947618884 /nfs/dbraw/zinc/61/88/84/947618884.db2.gz VSHWQCQDTNZSMI-CABZTGNLSA-N 0 1 383.378 1.531 20 0 GDADMN C[C@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573616205 947619111 /nfs/dbraw/zinc/61/91/11/947619111.db2.gz VSCBDKKHKNUUBU-SGTLLEGYSA-N 0 1 382.428 1.126 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)C)cc1 ZINC001573354889 947639211 /nfs/dbraw/zinc/63/92/11/947639211.db2.gz JRMGBVHHSIABDM-HNNXBMFYSA-N 0 1 378.440 1.588 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1-c1nn[nH]n1 ZINC000826229361 947672289 /nfs/dbraw/zinc/67/22/89/947672289.db2.gz BAJMZONGDFIMJH-LBPRGKRZSA-N 0 1 397.464 1.789 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573624837 947696940 /nfs/dbraw/zinc/69/69/40/947696940.db2.gz MSKPAGZLJQAAMI-DOMZBBRYSA-N 0 1 381.415 1.639 20 0 GDADMN CC(C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)=C1CCC1 ZINC001573627904 947737912 /nfs/dbraw/zinc/73/79/12/947737912.db2.gz GVPIKOMRQADDEA-OAHLLOKOSA-N 0 1 382.472 1.974 20 0 GDADMN Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)ccc1O ZINC000826258733 947746207 /nfs/dbraw/zinc/74/62/07/947746207.db2.gz UNSJDJKFSLOEOQ-UHFFFAOYSA-N 0 1 395.423 1.709 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001573373126 947788473 /nfs/dbraw/zinc/78/84/73/947788473.db2.gz AZSQRGRGCOWDAB-HZPDHXFCSA-N 0 1 383.456 1.282 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001573376181 947831053 /nfs/dbraw/zinc/83/10/53/947831053.db2.gz SQVBDAXPPLAWDC-GDBMZVCRSA-N 0 1 385.472 1.803 20 0 GDADMN CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573376333 947835001 /nfs/dbraw/zinc/83/50/01/947835001.db2.gz ZCCVVKXKNKWZQD-CQSZACIVSA-N 0 1 386.460 1.021 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@@H](c2cccc(F)c2)[C@@H]1C)n1cnc(-c2nn[nH]n2)n1 ZINC001573640178 947850102 /nfs/dbraw/zinc/85/01/02/947850102.db2.gz GVWKYNWCXWOZOY-COPLHBTASA-N 0 1 386.391 1.147 20 0 GDADMN CC(=O)N(C)CC(=O)N(CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573390104 947928034 /nfs/dbraw/zinc/92/80/34/947928034.db2.gz WHEZNLNJHIVQNY-UHFFFAOYSA-N 0 1 387.488 1.014 20 0 GDADMN C[C@H](C(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573652498 947939728 /nfs/dbraw/zinc/93/97/28/947939728.db2.gz CVMAZSLUNPFTQP-RFAUZJTJSA-N 0 1 383.378 1.579 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1-c1nnn[n-]1 ZINC000826344274 948004614 /nfs/dbraw/zinc/00/46/14/948004614.db2.gz CECZBHHMKHSXQU-UKRRQHHQSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1-c1nnn[n-]1 ZINC000826344274 948004623 /nfs/dbraw/zinc/00/46/23/948004623.db2.gz CECZBHHMKHSXQU-UKRRQHHQSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826344274 948004634 /nfs/dbraw/zinc/00/46/34/948004634.db2.gz CECZBHHMKHSXQU-UKRRQHHQSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826344274 948004640 /nfs/dbraw/zinc/00/46/40/948004640.db2.gz CECZBHHMKHSXQU-UKRRQHHQSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826346592 948042623 /nfs/dbraw/zinc/04/26/23/948042623.db2.gz PWPLIJYFDBGKMI-UHFFFAOYSA-N 0 1 395.467 1.659 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826346592 948042627 /nfs/dbraw/zinc/04/26/27/948042627.db2.gz PWPLIJYFDBGKMI-UHFFFAOYSA-N 0 1 395.467 1.659 20 0 GDADMN Cc1onc(CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826346869 948045059 /nfs/dbraw/zinc/04/50/59/948045059.db2.gz XWJOZECARJTYSD-UHFFFAOYSA-N 0 1 395.467 1.529 20 0 GDADMN Cc1onc(CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826346869 948045069 /nfs/dbraw/zinc/04/50/69/948045069.db2.gz XWJOZECARJTYSD-UHFFFAOYSA-N 0 1 395.467 1.529 20 0 GDADMN Cc1onc(CC(=O)NCCCCCCC[NH+]2CCCC2)c1-c1nnn[n-]1 ZINC000826347017 948047474 /nfs/dbraw/zinc/04/74/74/948047474.db2.gz BJKPDNFPOAMEEB-UHFFFAOYSA-N 0 1 375.477 1.868 20 0 GDADMN Cc1onc(CC(=O)NCCCCCCC[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826347017 948047480 /nfs/dbraw/zinc/04/74/80/948047480.db2.gz BJKPDNFPOAMEEB-UHFFFAOYSA-N 0 1 375.477 1.868 20 0 GDADMN C[C@@H](C(=O)NC1CC2(C1)CC(Nc1ccncc1-c1nn[nH]n1)C2)C1CCC1 ZINC001573665265 948070703 /nfs/dbraw/zinc/07/07/03/948070703.db2.gz JZAQLNSEEBGONV-KATYOOPDSA-N 0 1 381.484 1.959 20 0 GDADMN CC(=O)N(Cc1ccccn1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573414253 948093690 /nfs/dbraw/zinc/09/36/90/948093690.db2.gz JHQIDFOTBLQHML-UHFFFAOYSA-N 0 1 378.440 1.674 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573672211 948110000 /nfs/dbraw/zinc/11/00/00/948110000.db2.gz IENFEVIORQDZRU-YPMHNXCESA-N 0 1 386.485 1.156 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)C(C)(F)F ZINC001573673363 948113240 /nfs/dbraw/zinc/11/32/40/948113240.db2.gz KREOMTKRQIBLKU-RNFRBKRXSA-N 0 1 391.835 1.963 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001573675431 948120510 /nfs/dbraw/zinc/12/05/10/948120510.db2.gz PZMMDMOYWIXBOT-DYVFJYSZSA-N 0 1 380.456 1.094 20 0 GDADMN CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573433617 948204146 /nfs/dbraw/zinc/20/41/46/948204146.db2.gz MMKAAUBZOAMQFR-WBVHZDCISA-N 0 1 390.513 1.824 20 0 GDADMN CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573433617 948204153 /nfs/dbraw/zinc/20/41/53/948204153.db2.gz MMKAAUBZOAMQFR-WBVHZDCISA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1ccsc1 ZINC001573691697 948245453 /nfs/dbraw/zinc/24/54/53/948245453.db2.gz IEQMVWDPBJTOSL-LLVKDONJSA-N 0 1 384.469 1.395 20 0 GDADMN C[C@@H](C(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573694262 948292126 /nfs/dbraw/zinc/29/21/26/948292126.db2.gz BYQIYFXGQWGBJS-BLVKFPJESA-N 0 1 388.447 1.105 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C1CCCC1 ZINC001573696243 948320918 /nfs/dbraw/zinc/32/09/18/948320918.db2.gz MOVMKFIVUDIDSE-WNOSKKOXSA-N 0 1 381.484 1.886 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573717474 948508878 /nfs/dbraw/zinc/50/88/78/948508878.db2.gz CVHUIPMLSPMFAM-AWEZNQCLSA-N 0 1 389.479 1.823 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573741008 948647093 /nfs/dbraw/zinc/64/70/93/948647093.db2.gz WRLXFRDDQMKTOH-LPWJVIDDSA-N 0 1 380.412 1.279 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573751990 948709158 /nfs/dbraw/zinc/70/91/58/948709158.db2.gz JMUDFFLJEKIUFV-ZSGPHXLJSA-N 0 1 392.467 1.546 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573752599 948713629 /nfs/dbraw/zinc/71/36/29/948713629.db2.gz OWOKPIWYSDJIKT-JXUBOQSCSA-N 0 1 382.350 1.081 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574416524 948748756 /nfs/dbraw/zinc/74/87/56/948748756.db2.gz WVUQSXDQYDWHNN-UHFFFAOYSA-N 0 1 381.444 1.384 20 0 GDADMN CC(F)(F)C1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)CC1 ZINC001575223953 948774980 /nfs/dbraw/zinc/77/49/80/948774980.db2.gz QFMWEXUWKMZVBZ-UHFFFAOYSA-N 0 1 377.399 1.570 20 0 GDADMN C[C@H](C(=O)Nc1ncc(C2CCOCC2)s1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755697 948777455 /nfs/dbraw/zinc/77/74/55/948777455.db2.gz SMAMCHSSQFFVDF-MRVPVSSYSA-N 0 1 375.418 1.008 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679332 948778888 /nfs/dbraw/zinc/77/88/88/948778888.db2.gz SSJGQEHXJURFEY-UKRRQHHQSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679332 948778902 /nfs/dbraw/zinc/77/89/02/948778902.db2.gz SSJGQEHXJURFEY-UKRRQHHQSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679332 948778910 /nfs/dbraw/zinc/77/89/10/948778910.db2.gz SSJGQEHXJURFEY-UKRRQHHQSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679332 948778921 /nfs/dbraw/zinc/77/89/21/948778921.db2.gz SSJGQEHXJURFEY-UKRRQHHQSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)c1cccc(CN(C)[C@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574419986 948794627 /nfs/dbraw/zinc/79/46/27/948794627.db2.gz NJTSKVMBVXGVTL-CYBMUJFWSA-N 0 1 382.472 1.964 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756537 948819112 /nfs/dbraw/zinc/81/91/12/948819112.db2.gz SSEPZTLBALNSCE-NSHDSACASA-N 0 1 376.384 1.218 20 0 GDADMN CC(C)c1nc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cs1 ZINC001574424711 948860373 /nfs/dbraw/zinc/86/03/73/948860373.db2.gz RLRNIGVCRXXVLA-NSHDSACASA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1CC1(F)F ZINC001574684551 948871307 /nfs/dbraw/zinc/87/13/07/948871307.db2.gz ICEQYJOAZUIZRS-RITPCOANSA-N 0 1 377.808 1.939 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574684809 948885831 /nfs/dbraw/zinc/88/58/31/948885831.db2.gz MYTXRDLWLNRJEU-RKDXNWHRSA-N 0 1 385.881 1.710 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cc1ncc[nH]1 ZINC001574684862 948892291 /nfs/dbraw/zinc/89/22/91/948892291.db2.gz NZGKELOJHSDYGW-SSDOTTSWSA-N 0 1 381.853 1.249 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cccn1C ZINC001574685007 948900885 /nfs/dbraw/zinc/90/08/85/948900885.db2.gz QVEMDQPJNMESEJ-QMMMGPOBSA-N 0 1 380.865 1.936 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573771842 948946568 /nfs/dbraw/zinc/94/65/68/948946568.db2.gz MHLNJJMJMVHYIA-VIFPVBQESA-N 0 1 384.366 1.330 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001575237995 948952173 /nfs/dbraw/zinc/95/21/73/948952173.db2.gz KJTOCUKTRPHGKW-WDEREUQCSA-N 0 1 392.414 1.353 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433853 948968331 /nfs/dbraw/zinc/96/83/31/948968331.db2.gz SUAGBAVYJBJPNS-UWVGGRQHSA-N 0 1 387.473 1.277 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)C1CC1 ZINC001573773269 948976865 /nfs/dbraw/zinc/97/68/65/948976865.db2.gz IXWZVYPFALGDPC-KGLIPLIRSA-N 0 1 390.513 1.416 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC001573773719 948993491 /nfs/dbraw/zinc/99/34/91/948993491.db2.gz FPHJORNMIWAFSS-UHFFFAOYSA-N 0 1 377.452 1.722 20 0 GDADMN C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575503221 949036511 /nfs/dbraw/zinc/03/65/11/949036511.db2.gz NSOKBHVXDVROSM-CYBMUJFWSA-N 0 1 382.428 1.019 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574091925 949038317 /nfs/dbraw/zinc/03/83/17/949038317.db2.gz PXBDCXXHQSHSFZ-KBPBESRZSA-N 0 1 385.472 1.001 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C1CCC1 ZINC001573778950 949050829 /nfs/dbraw/zinc/05/08/29/949050829.db2.gz ALNSSBBEVWLCGA-ZSOGYDGISA-N 0 1 382.472 1.281 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573780029 949077609 /nfs/dbraw/zinc/07/76/09/949077609.db2.gz QDIWKMXNTAXWMR-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCNc2ccncc2-c2nn[nH]n2)CCO1 ZINC001574092892 949082522 /nfs/dbraw/zinc/08/25/22/949082522.db2.gz QBDPPALXFVRQDS-WMLDXEAASA-N 0 1 387.488 1.395 20 0 GDADMN CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574441890 949083006 /nfs/dbraw/zinc/08/30/06/949083006.db2.gz DSLLYBWFPSJNHO-ABAIWWIYSA-N 0 1 382.428 1.368 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694739 949093429 /nfs/dbraw/zinc/09/34/29/949093429.db2.gz VVBXBPGCZYGNPC-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694739 949093447 /nfs/dbraw/zinc/09/34/47/949093447.db2.gz VVBXBPGCZYGNPC-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574929504 949094768 /nfs/dbraw/zinc/09/47/68/949094768.db2.gz FROLBPZZQLZYAT-ZDUSSCGKSA-N 0 1 390.463 1.949 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001574445738 949113012 /nfs/dbraw/zinc/11/30/12/949113012.db2.gz AUUNDQVZIIPXNP-ZDUSSCGKSA-N 0 1 384.444 1.662 20 0 GDADMN CC(C)c1occc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574446035 949120768 /nfs/dbraw/zinc/12/07/68/949120768.db2.gz GEQLLWWRGALYJN-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCC1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574931786 949124405 /nfs/dbraw/zinc/12/44/05/949124405.db2.gz SGPJACCQCRVFHW-LBPRGKRZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCC1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574931786 949124414 /nfs/dbraw/zinc/12/44/14/949124414.db2.gz SGPJACCQCRVFHW-LBPRGKRZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](NC(=O)[C@@]1(F)CCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575251314 949135450 /nfs/dbraw/zinc/13/54/50/949135450.db2.gz ANXOXCOVDGFNAN-BBATYDOGSA-N 0 1 392.410 1.071 20 0 GDADMN C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575252219 949154505 /nfs/dbraw/zinc/15/45/05/949154505.db2.gz PKZNYDXLYCMQAU-STQMWFEESA-N 0 1 380.456 1.362 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccccc1 ZINC001573787129 949168400 /nfs/dbraw/zinc/16/84/00/949168400.db2.gz MRMRJQAOGQDSNE-VQFNDLOPSA-N 0 1 389.463 1.790 20 0 GDADMN C[C@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575253590 949192539 /nfs/dbraw/zinc/19/25/39/949192539.db2.gz KUYCUYFDBISZIQ-STQMWFEESA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)CC(=O)N(C)C[C@@H](O)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574100705 949199149 /nfs/dbraw/zinc/19/91/49/949199149.db2.gz XXDIXRZZXKPOBO-AWEZNQCLSA-N 0 1 378.452 1.303 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574936887 949220689 /nfs/dbraw/zinc/22/06/89/949220689.db2.gz LTLOTVMBGZIANS-NSHDSACASA-N 0 1 387.394 1.724 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575854415 949236083 /nfs/dbraw/zinc/23/60/83/949236083.db2.gz VUPIJBARJVBUES-UHFFFAOYSA-N 0 1 392.414 1.307 20 0 GDADMN CC(C)(C)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573792132 949239198 /nfs/dbraw/zinc/23/91/98/949239198.db2.gz LOAXOKCQTZEYBE-UHFFFAOYSA-N 0 1 392.529 1.760 20 0 GDADMN CC(C)(C)C(=O)N1CCC([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573792132 949239213 /nfs/dbraw/zinc/23/92/13/949239213.db2.gz LOAXOKCQTZEYBE-UHFFFAOYSA-N 0 1 392.529 1.760 20 0 GDADMN CC(C)(C)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573792132 949239230 /nfs/dbraw/zinc/23/92/30/949239230.db2.gz LOAXOKCQTZEYBE-UHFFFAOYSA-N 0 1 392.529 1.760 20 0 GDADMN CC(C)(C)C(=O)N1CCC([N@@H+](CCO)Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573792132 949239244 /nfs/dbraw/zinc/23/92/44/949239244.db2.gz LOAXOKCQTZEYBE-UHFFFAOYSA-N 0 1 392.529 1.760 20 0 GDADMN C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575255857 949241907 /nfs/dbraw/zinc/24/19/07/949241907.db2.gz RWOFPJASDODVAY-XOBRGWDASA-N 0 1 384.484 1.620 20 0 GDADMN CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573792763 949263987 /nfs/dbraw/zinc/26/39/87/949263987.db2.gz VAADLSPIXOINHF-CRWXNKLISA-N 0 1 382.472 1.376 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)cn1 ZINC001574452950 949275925 /nfs/dbraw/zinc/27/59/25/949275925.db2.gz SHYLRLWMZORRNM-INIZCTEOSA-N 0 1 381.444 1.082 20 0 GDADMN CC1=C(C)C[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575860200 949294781 /nfs/dbraw/zinc/29/47/81/949294781.db2.gz DFZOKJOKJXKEDS-KUHUBIRLSA-N 0 1 384.488 1.864 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccon1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942070 949334446 /nfs/dbraw/zinc/33/44/46/949334446.db2.gz JWSORZLGKAYHRC-ZETCQYMHSA-N 0 1 382.837 1.372 20 0 GDADMN C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574703923 949356610 /nfs/dbraw/zinc/35/66/10/949356610.db2.gz HUQFGJIICARNCB-CYBMUJFWSA-N 0 1 387.463 1.893 20 0 GDADMN C[C@H](CNC(=O)Cc1cncs1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574944820 949400538 /nfs/dbraw/zinc/40/05/38/949400538.db2.gz GTWATOBFPOEAOB-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN C[C@H](CNC(=O)Cc1cncs1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574944820 949400551 /nfs/dbraw/zinc/40/05/51/949400551.db2.gz GTWATOBFPOEAOB-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573802192 949413501 /nfs/dbraw/zinc/41/35/01/949413501.db2.gz GQIMNFGJUOZNPC-AWEZNQCLSA-N 0 1 385.881 1.080 20 0 GDADMN C[C@]1(C(=O)N2CC[C@H](CCNc3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575534199 949424844 /nfs/dbraw/zinc/42/48/44/949424844.db2.gz KXLKLSLTLGRICA-LIRRHRJNSA-N 0 1 385.472 1.151 20 0 GDADMN CC1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575534548 949429320 /nfs/dbraw/zinc/42/93/20/949429320.db2.gz NOUKQZSHFGHTRA-NSHDSACASA-N 0 1 392.414 1.165 20 0 GDADMN C[C@H](CNC(=O)Cn1ccnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574947449 949448721 /nfs/dbraw/zinc/44/87/21/949448721.db2.gz AXUNQHNDZKFHOS-MRVPVSSYSA-N 0 1 381.853 1.038 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575265711 949454101 /nfs/dbraw/zinc/45/41/01/949454101.db2.gz ADNKFFMFLXEIDM-ZJUUUORDSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575266187 949471433 /nfs/dbraw/zinc/47/14/33/949471433.db2.gz XTQDRWTTXYYPHN-ZJUUUORDSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](NC(=O)CC(C)(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575266585 949480134 /nfs/dbraw/zinc/48/01/34/949480134.db2.gz ZSQWSRLUWPVZNX-JTQLQIEISA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](NC(=O)CC1CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575267217 949497611 /nfs/dbraw/zinc/49/76/11/949497611.db2.gz HEPLDKZJINVLLV-LBPRGKRZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCc2cccnc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574709411 949506941 /nfs/dbraw/zinc/50/69/41/949506941.db2.gz ZGTMSVTXHMJJLN-ZFWWWQNUSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@H](CNC(=O)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1)N1CCN(C)CC1 ZINC001574949987 949523205 /nfs/dbraw/zinc/52/32/05/949523205.db2.gz IYWOZGVVCUQZRO-ZDUSSCGKSA-N 0 1 384.488 1.502 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575538897 949532231 /nfs/dbraw/zinc/53/22/31/949532231.db2.gz KOCKGYLWEBDLKU-SJKOYZFVSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575538897 949532246 /nfs/dbraw/zinc/53/22/46/949532246.db2.gz KOCKGYLWEBDLKU-SJKOYZFVSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575269199 949540831 /nfs/dbraw/zinc/54/08/31/949540831.db2.gz SBIWSIXWOJUGRT-KBPBESRZSA-N 0 1 385.472 1.288 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575540349 949565769 /nfs/dbraw/zinc/56/57/69/949565769.db2.gz XCTMHGJAHIDMQB-ACJLOTCBSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575540349 949565789 /nfs/dbraw/zinc/56/57/89/949565789.db2.gz XCTMHGJAHIDMQB-ACJLOTCBSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873173 949570609 /nfs/dbraw/zinc/57/06/09/949570609.db2.gz ODCDXZPDGWFDLW-KOLCDFICSA-N 0 1 378.387 1.176 20 0 GDADMN C[C@@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575270299 949581183 /nfs/dbraw/zinc/58/11/83/949581183.db2.gz ZEMXZUNRFVDTPX-SFYZADRCSA-N 0 1 385.881 1.587 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574956683 949588634 /nfs/dbraw/zinc/58/86/34/949588634.db2.gz LTEMSLYNSBEVAR-JGFGOQIWSA-N 0 1 388.447 1.415 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574713159 949597623 /nfs/dbraw/zinc/59/76/23/949597623.db2.gz WCYHKAUHXUGLOV-DOMZBBRYSA-N 0 1 379.424 1.119 20 0 GDADMN CC1(C(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)CCOCC1 ZINC001575545585 949601263 /nfs/dbraw/zinc/60/12/63/949601263.db2.gz LXALEZICQNSCAS-UHFFFAOYSA-N 0 1 384.484 1.718 20 0 GDADMN C[C@@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574476514 949606940 /nfs/dbraw/zinc/60/69/40/949606940.db2.gz DLUKNTBEJWMRLS-AWEZNQCLSA-N 0 1 389.504 1.379 20 0 GDADMN C[C@]1(C(=O)N2CCCCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCOC1 ZINC001575546844 949617029 /nfs/dbraw/zinc/61/70/29/949617029.db2.gz SDFWCEVNQNZPQQ-KUHUBIRLSA-N 0 1 385.472 1.293 20 0 GDADMN C[C@@H](NC(=O)CC[C@@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575271348 949618581 /nfs/dbraw/zinc/61/85/81/949618581.db2.gz JSGJVMYIOYVUMY-CHWSQXEVSA-N 0 1 390.513 1.681 20 0 GDADMN CC1(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)CC(F)(F)C1 ZINC001575547301 949626671 /nfs/dbraw/zinc/62/66/71/949626671.db2.gz WXXUNBDVKHZSMB-NSHDSACASA-N 0 1 377.399 1.522 20 0 GDADMN C[C@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574957931 949642765 /nfs/dbraw/zinc/64/27/65/949642765.db2.gz JJDKKOPTYHRZNM-KGLIPLIRSA-N 0 1 380.456 1.476 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCC1(C)C ZINC001573815838 949662511 /nfs/dbraw/zinc/66/25/11/949662511.db2.gz KLQQJLIHOIEUNX-QWHCGFSZSA-N 0 1 386.504 1.848 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574134711 949724717 /nfs/dbraw/zinc/72/47/17/949724717.db2.gz IOODVQZKGIVQHG-GJZGRUSLSA-N 0 1 386.504 1.801 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574480135 949744901 /nfs/dbraw/zinc/74/49/01/949744901.db2.gz GYPUCJOQNQDCQK-STQMWFEESA-N 0 1 382.428 1.126 20 0 GDADMN C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1Cl)[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC001575279235 949778424 /nfs/dbraw/zinc/77/84/24/949778424.db2.gz XQTIMFMLNXXDRN-VHSXEESVSA-N 0 1 389.851 1.576 20 0 GDADMN C[C@H]1CCCN(C(=O)CC2CCC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172583 949812368 /nfs/dbraw/zinc/81/23/68/949812368.db2.gz XONSGISQNPZHPK-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CN(C)C(=O)CCCn1cccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574722870 949845477 /nfs/dbraw/zinc/84/54/77/949845477.db2.gz XJJAVZXDDUSSKH-ZDUSSCGKSA-N 0 1 388.501 1.542 20 0 GDADMN C[C@@H](CN(C)C(=O)CCCn1cccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574722870 949845498 /nfs/dbraw/zinc/84/54/98/949845498.db2.gz XJJAVZXDDUSSKH-ZDUSSCGKSA-N 0 1 388.501 1.542 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575564162 949852042 /nfs/dbraw/zinc/85/20/42/949852042.db2.gz ODDVIUCJHFPNOH-OXJNMPFZSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@H](CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCCC1 ZINC001574484084 949859863 /nfs/dbraw/zinc/85/98/63/949859863.db2.gz TWZOABRETWYQLF-CQSZACIVSA-N 0 1 384.488 1.912 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001574142199 949869464 /nfs/dbraw/zinc/86/94/64/949869464.db2.gz XEFOBXIKOTYCNK-OLMNPRSZSA-N 0 1 386.500 1.600 20 0 GDADMN C[C@@H](CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001574488019 949939268 /nfs/dbraw/zinc/93/92/68/949939268.db2.gz CBRZFAIPOOQTGI-CFZJUORYSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285303 949943478 /nfs/dbraw/zinc/94/34/78/949943478.db2.gz MOLQBRQXMWDVDE-UONOGXRCSA-N 0 1 380.456 1.125 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576181474 950008696 /nfs/dbraw/zinc/00/86/96/950008696.db2.gz IKLVLCSZVOFJMG-CHWSQXEVSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOC1 ZINC001575574075 950010753 /nfs/dbraw/zinc/01/07/53/950010753.db2.gz RQOQMHKOBRHKMB-DYVFJYSZSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOC1 ZINC001575574075 950010772 /nfs/dbraw/zinc/01/07/72/950010772.db2.gz RQOQMHKOBRHKMB-DYVFJYSZSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574730340 950026385 /nfs/dbraw/zinc/02/63/85/950026385.db2.gz RGIASIKPHXPPQF-NSHDSACASA-N 0 1 386.847 1.234 20 0 GDADMN C[C@H](CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574491615 950040970 /nfs/dbraw/zinc/04/09/70/950040970.db2.gz DYUVGNIZCYMWBQ-KPPDAEKUSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001574491785 950043441 /nfs/dbraw/zinc/04/34/41/950043441.db2.gz FXVZZTTYAOCAIO-OCCSQVGLSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)C[C@H](O)c1ccccc1F ZINC001574975673 950045200 /nfs/dbraw/zinc/04/52/00/950045200.db2.gz YDMBQUYDEHVISG-ZBEGNZNMSA-N 0 1 387.419 1.118 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnon1 ZINC001574151144 950061898 /nfs/dbraw/zinc/06/18/98/950061898.db2.gz LVIKWCQOTCAQNU-JTQLQIEISA-N 0 1 376.446 1.246 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnon1 ZINC001574151144 950061916 /nfs/dbraw/zinc/06/19/16/950061916.db2.gz LVIKWCQOTCAQNU-JTQLQIEISA-N 0 1 376.446 1.246 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccccc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182763 950064558 /nfs/dbraw/zinc/06/45/58/950064558.db2.gz PGRLRMHXNPQRKG-DZGCQCFKSA-N 0 1 378.440 1.431 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574492382 950079587 /nfs/dbraw/zinc/07/95/87/950079587.db2.gz AMYOCWCSDWXSMN-KBPBESRZSA-N 0 1 380.456 1.791 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574732923 950087247 /nfs/dbraw/zinc/08/72/47/950087247.db2.gz MWKNZDALXFXGAP-XFJVYGCCSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574732923 950087265 /nfs/dbraw/zinc/08/72/65/950087265.db2.gz MWKNZDALXFXGAP-XFJVYGCCSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574492640 950099868 /nfs/dbraw/zinc/09/98/68/950099868.db2.gz NWKPIPGBFCXPCC-ZIAGYGMSSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)CCOC1 ZINC001575582130 950103001 /nfs/dbraw/zinc/10/30/01/950103001.db2.gz FXFDAGMQGCNRFS-LJCCNALRSA-N 0 1 382.468 1.087 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)CCOC1 ZINC001575582131 950104297 /nfs/dbraw/zinc/10/42/97/950104297.db2.gz FXFDAGMQGCNRFS-PDOICOKGSA-N 0 1 382.468 1.087 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCOC1 ZINC001575582329 950110377 /nfs/dbraw/zinc/11/03/77/950110377.db2.gz IZTJHTKVMFDIJU-FLTUCWPJSA-N 0 1 388.497 1.149 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCOC1 ZINC001575582329 950110387 /nfs/dbraw/zinc/11/03/87/950110387.db2.gz IZTJHTKVMFDIJU-FLTUCWPJSA-N 0 1 388.497 1.149 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[n-]n5)s4)C[C@H]32)CCOC1 ZINC001575582329 950110402 /nfs/dbraw/zinc/11/04/02/950110402.db2.gz IZTJHTKVMFDIJU-FLTUCWPJSA-N 0 1 388.497 1.149 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[n-]n5)s4)C[C@H]32)CCOC1 ZINC001575582329 950110415 /nfs/dbraw/zinc/11/04/15/950110415.db2.gz IZTJHTKVMFDIJU-FLTUCWPJSA-N 0 1 388.497 1.149 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574493019 950112284 /nfs/dbraw/zinc/11/22/84/950112284.db2.gz QSGHFMANHFHRMA-PBHICJAKSA-N 0 1 380.456 1.405 20 0 GDADMN CC1(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575582511 950115035 /nfs/dbraw/zinc/11/50/35/950115035.db2.gz DZBPMFKOOPISEC-CQSZACIVSA-N 0 1 384.488 1.960 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574734106 950128991 /nfs/dbraw/zinc/12/89/91/950128991.db2.gz JCUFCIICTZPHBU-CYHLAULCSA-N 0 1 388.447 1.510 20 0 GDADMN CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCC1 ZINC001575583769 950154550 /nfs/dbraw/zinc/15/45/50/950154550.db2.gz UKONYVOJVNPFKV-QGZVFWFLSA-N 0 1 376.486 1.171 20 0 GDADMN CC1(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCC1 ZINC001575583769 950154563 /nfs/dbraw/zinc/15/45/63/950154563.db2.gz UKONYVOJVNPFKV-QGZVFWFLSA-N 0 1 376.486 1.171 20 0 GDADMN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cccc(F)c1F ZINC001574739398 950191293 /nfs/dbraw/zinc/19/12/93/950191293.db2.gz PBAIOROPVLNEBE-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CSC(C)C ZINC001574155821 950212753 /nfs/dbraw/zinc/21/27/53/950212753.db2.gz RXVNJVIPRHGLRL-LBPRGKRZSA-N 0 1 378.506 1.163 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575587230 950232614 /nfs/dbraw/zinc/23/26/14/950232614.db2.gz MJJUQDGANJPYPX-DJJJIMSYSA-N 0 1 388.447 1.371 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573845589 950235061 /nfs/dbraw/zinc/23/50/61/950235061.db2.gz HWNKLOBTXVVOOH-MELADBBJSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574157526 950242236 /nfs/dbraw/zinc/24/22/36/950242236.db2.gz CGXYWBMOLSOZAU-LSDHHAIUSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575588793 950256997 /nfs/dbraw/zinc/25/69/97/950256997.db2.gz SPFROIWKKZNZJW-IFXJQAMLSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575588793 950257011 /nfs/dbraw/zinc/25/70/11/950257011.db2.gz SPFROIWKKZNZJW-IFXJQAMLSA-N 0 1 388.447 1.371 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573847075 950258043 /nfs/dbraw/zinc/25/80/43/950258043.db2.gz ZOCIOYBNZPOFGS-XDQVBPFNSA-N 0 1 382.472 1.519 20 0 GDADMN C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574742156 950270007 /nfs/dbraw/zinc/27/00/07/950270007.db2.gz MTEWTESMGJJIQJ-MRVPVSSYSA-N 0 1 392.345 1.069 20 0 GDADMN CC1(C(=O)NCCN2CCC(Nc3ccc(-c4nn[nH]n4)nc3)CC2)CCC1 ZINC001575592048 950276907 /nfs/dbraw/zinc/27/69/07/950276907.db2.gz AOFRATWJOBECHW-UHFFFAOYSA-N 0 1 384.488 1.444 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ncccc1F ZINC001575906345 950312590 /nfs/dbraw/zinc/31/25/90/950312590.db2.gz HQBPQUJVIDVRQF-MFKMUULPSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ncccc1F ZINC001575906345 950312610 /nfs/dbraw/zinc/31/26/10/950312610.db2.gz HQBPQUJVIDVRQF-MFKMUULPSA-N 0 1 387.444 1.855 20 0 GDADMN CC1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCC2(F)F)CC1 ZINC001575594045 950329500 /nfs/dbraw/zinc/32/95/00/950329500.db2.gz JDDHZIWSJINGPN-SNVBAGLBSA-N 0 1 378.387 1.035 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1ccnc1 ZINC001574501481 950338363 /nfs/dbraw/zinc/33/83/63/950338363.db2.gz DRMXZHBVCXHTAW-PBHICJAKSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576194489 950347439 /nfs/dbraw/zinc/34/74/39/950347439.db2.gz ZILRZCPWOVVIFY-ZIAGYGMSSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576194489 950347460 /nfs/dbraw/zinc/34/74/60/950347460.db2.gz ZILRZCPWOVVIFY-ZIAGYGMSSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576196204 950352466 /nfs/dbraw/zinc/35/24/66/950352466.db2.gz ANRFXBSFEZBRNC-GDBMZVCRSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576196204 950352484 /nfs/dbraw/zinc/35/24/84/950352484.db2.gz ANRFXBSFEZBRNC-GDBMZVCRSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnns1 ZINC001575908540 950368076 /nfs/dbraw/zinc/36/80/76/950368076.db2.gz UXGLFKJRKOWDLF-PSASIEDQSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cnns1 ZINC001575908540 950368091 /nfs/dbraw/zinc/36/80/91/950368091.db2.gz UXGLFKJRKOWDLF-PSASIEDQSA-N 0 1 376.471 1.173 20 0 GDADMN CC1(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)CC(F)(F)C1 ZINC001575597087 950400401 /nfs/dbraw/zinc/40/04/01/950400401.db2.gz XNYAQUKTOUERHW-UHFFFAOYSA-N 0 1 376.411 1.850 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576199183 950418037 /nfs/dbraw/zinc/41/80/37/950418037.db2.gz XCEDOSBNXWVZMB-UONOGXRCSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576199183 950418051 /nfs/dbraw/zinc/41/80/51/950418051.db2.gz XCEDOSBNXWVZMB-UONOGXRCSA-N 0 1 387.463 1.385 20 0 GDADMN CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2ccncc2-c2nn[nH]n2)CCC1 ZINC001574163345 950422768 /nfs/dbraw/zinc/42/27/68/950422768.db2.gz SBLHCAQJWBPQIN-CQSZACIVSA-N 0 1 387.488 1.131 20 0 GDADMN CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)CC(F)(F)C1 ZINC001575599610 950430758 /nfs/dbraw/zinc/43/07/58/950430758.db2.gz NMAGFTCFFKESGA-GHMZBOCLSA-N 0 1 392.414 1.353 20 0 GDADMN CC1CCN(CC(=O)NC[C@@H](Nc2ncccc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576204749 950472933 /nfs/dbraw/zinc/47/29/33/950472933.db2.gz BQMIQIVXJXGGMR-MRXNPFEDSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc(-c2ccccc2)no1 ZINC001574994494 950484718 /nfs/dbraw/zinc/48/47/18/950484718.db2.gz SBLDXFDRJNFWML-GFCCVEGCSA-N 0 1 392.423 1.758 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc2cnccc2c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574752724 950494106 /nfs/dbraw/zinc/49/41/06/950494106.db2.gz FKIGBVKIIGOPGJ-CYBMUJFWSA-N 0 1 388.435 1.804 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573866697 950509216 /nfs/dbraw/zinc/50/92/16/950509216.db2.gz JALAPQZCBIKWHO-MRVPVSSYSA-N 0 1 385.881 1.805 20 0 GDADMN CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573868509 950541420 /nfs/dbraw/zinc/54/14/20/950541420.db2.gz CWSOPIKDYSLLII-XIKOKIGWSA-N 0 1 386.460 1.089 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753838 950543669 /nfs/dbraw/zinc/54/36/69/950543669.db2.gz UFCBUHBIVRUCLR-JTQLQIEISA-N 0 1 388.382 1.589 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(Cl)cc1 ZINC001575918413 950591763 /nfs/dbraw/zinc/59/17/63/950591763.db2.gz BSZCIIOZQCDFMJ-GXFFZTMASA-N 0 1 384.831 1.447 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573870843 950599713 /nfs/dbraw/zinc/59/97/13/950599713.db2.gz XXSYGMFAQKSXIH-CYBMUJFWSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573870843 950599728 /nfs/dbraw/zinc/59/97/28/950599728.db2.gz XXSYGMFAQKSXIH-CYBMUJFWSA-N 0 1 378.502 1.728 20 0 GDADMN CC1(C)C(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1(C)C ZINC001575617332 950601092 /nfs/dbraw/zinc/60/10/92/950601092.db2.gz ARRNJZOIWPWNSI-GFCCVEGCSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573871329 950613003 /nfs/dbraw/zinc/61/30/03/950613003.db2.gz NZJRZVZRUSMJJD-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573871329 950613023 /nfs/dbraw/zinc/61/30/23/950613023.db2.gz NZJRZVZRUSMJJD-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573871329 950613047 /nfs/dbraw/zinc/61/30/47/950613047.db2.gz NZJRZVZRUSMJJD-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573871329 950613064 /nfs/dbraw/zinc/61/30/64/950613064.db2.gz NZJRZVZRUSMJJD-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CC1(C)C(C(=O)NC[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)C1(C)C ZINC001575619238 950617493 /nfs/dbraw/zinc/61/74/93/950617493.db2.gz NKKLTWZKPGXYRW-CYBMUJFWSA-N 0 1 390.463 1.255 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575000872 950617798 /nfs/dbraw/zinc/61/77/98/950617798.db2.gz HLEDPCFBTYTMLU-NSHDSACASA-N 0 1 381.444 1.118 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575001283 950628755 /nfs/dbraw/zinc/62/87/55/950628755.db2.gz JTXUGXDPFRCFAZ-QMMMGPOBSA-N 0 1 376.783 1.102 20 0 GDADMN CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001589743942 950638544 /nfs/dbraw/zinc/63/85/44/950638544.db2.gz FXPSWTUOUANKPD-AWEZNQCLSA-N 0 1 380.493 1.098 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccnn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574759547 950638631 /nfs/dbraw/zinc/63/86/31/950638631.db2.gz NUNQTYQTSZJYIS-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN CC1(C)CC(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@@]3(C)C2)C1 ZINC001575625843 950695748 /nfs/dbraw/zinc/69/57/48/950695748.db2.gz YFUDBRMOFAOBBF-VLIAUNLRSA-N 0 1 381.484 1.983 20 0 GDADMN CC(C)c1ncc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001574761681 950702308 /nfs/dbraw/zinc/70/23/08/950702308.db2.gz VELKOPKCYQHBFE-SNVBAGLBSA-N 0 1 387.473 1.231 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc(Cl)c1 ZINC001575926273 950707303 /nfs/dbraw/zinc/70/73/03/950707303.db2.gz XELPCHRPFKTIRJ-ZWNOBZJWSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cncc2[nH]ccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574763582 950722025 /nfs/dbraw/zinc/72/20/25/950722025.db2.gz FKNVLMPEXDZBQI-NSHDSACASA-N 0 1 377.412 1.133 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576216596 950735477 /nfs/dbraw/zinc/73/54/77/950735477.db2.gz DUJHHFMTJYFYMD-XJKSGUPXSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575927330 950740093 /nfs/dbraw/zinc/74/00/93/950740093.db2.gz PDMTZYLBGWQZCJ-PSASIEDQSA-N 0 1 390.354 1.324 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001575629940 950751253 /nfs/dbraw/zinc/75/12/53/950751253.db2.gz VLMOSEJDWDYFOE-SJORKVTESA-N 0 1 384.484 1.354 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575928118 950774062 /nfs/dbraw/zinc/77/40/62/950774062.db2.gz YWTXFNZKNDZSCE-IAQYHMDHSA-N 0 1 391.439 1.066 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931933 950819185 /nfs/dbraw/zinc/81/91/85/950819185.db2.gz JMSHKVSBSHAEHW-POYBYMJQSA-N 0 1 379.837 1.415 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cncnc1 ZINC001575932203 950821172 /nfs/dbraw/zinc/82/11/72/950821172.db2.gz KKIUPQHCWMXKEE-VXNVDRBHSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccncn1 ZINC001575932842 950836416 /nfs/dbraw/zinc/83/64/16/950836416.db2.gz NHGSJYYIEBALRV-YUMQZZPRSA-N 0 1 391.848 1.482 20 0 GDADMN CC(C)CCCC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574187861 950838578 /nfs/dbraw/zinc/83/85/78/950838578.db2.gz RSFLMNVBPXJQSE-LJQANCHMSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574767559 950859242 /nfs/dbraw/zinc/85/92/42/950859242.db2.gz RAPOCXHJICVJBJ-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001574527494 950889690 /nfs/dbraw/zinc/88/96/90/950889690.db2.gz CMYQEOIDBCDJMY-QWHCGFSZSA-N 0 1 381.440 1.654 20 0 GDADMN CC(C)CCCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001574190615 950917374 /nfs/dbraw/zinc/91/73/74/950917374.db2.gz ZGZGFEDRVXNWKJ-LSDHHAIUSA-N 0 1 392.529 1.806 20 0 GDADMN CC1(C)C[C@H](NC(=O)C2CCCC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643009 950954456 /nfs/dbraw/zinc/95/44/56/950954456.db2.gz XBWIAFPGAATUTC-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)n1ncnc1CN[C@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529609 950954468 /nfs/dbraw/zinc/95/44/68/950954468.db2.gz RGPWRUILEFOKDR-VXGBXAGGSA-N 0 1 386.464 1.054 20 0 GDADMN CC(C)n1ncnc1CN[C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529606 950955453 /nfs/dbraw/zinc/95/54/53/950955453.db2.gz RGPWRUILEFOKDR-RYUDHWBXSA-N 0 1 386.464 1.054 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001575643321 950966960 /nfs/dbraw/zinc/96/69/60/950966960.db2.gz LJSDMEAVEZCQDB-CYBMUJFWSA-N 0 1 390.513 1.417 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001575643321 950966973 /nfs/dbraw/zinc/96/69/73/950966973.db2.gz LJSDMEAVEZCQDB-CYBMUJFWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H](CN(C)Cc1cc(F)cc(F)c1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574772448 950968971 /nfs/dbraw/zinc/96/89/71/950968971.db2.gz SSPUZYVSITXUOG-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)[nH]1 ZINC001575017403 950991255 /nfs/dbraw/zinc/99/12/55/950991255.db2.gz FEHRHGXKHCECLP-LLVKDONJSA-N 0 1 382.428 1.138 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc(Cl)ccc1F ZINC001575018998 951026897 /nfs/dbraw/zinc/02/68/97/951026897.db2.gz SESWBEDYTYXDRQ-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@H]2CC[C@@H]2OC)c(C(=O)[O-])c1C ZINC001591425935 951135266 /nfs/dbraw/zinc/13/52/66/951135266.db2.gz KDFVJCVYRGBLAT-QWRGUYRKSA-N 0 1 384.454 1.979 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H]2CC[C@@H]2OC)c(C(=O)[O-])c1C ZINC001591425935 951135280 /nfs/dbraw/zinc/13/52/80/951135280.db2.gz KDFVJCVYRGBLAT-QWRGUYRKSA-N 0 1 384.454 1.979 20 0 GDADMN C[C@H](CNC(=O)c1cccc2cccnc21)CNc1ccncc1-c1nn[nH]n1 ZINC001575027661 951163368 /nfs/dbraw/zinc/16/33/68/951163368.db2.gz HTQRZDCNEJUPOI-ZDUSSCGKSA-N 0 1 388.435 1.710 20 0 GDADMN C[C@@H](CNC(=O)c1ccccn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575031677 951200647 /nfs/dbraw/zinc/20/06/47/951200647.db2.gz 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C[C@@H](CNC(=O)c1csc(=O)[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575056609 951520098 /nfs/dbraw/zinc/52/00/98/951520098.db2.gz JPGJZVCWPLABSQ-QMMMGPOBSA-N 0 1 377.405 1.076 20 0 GDADMN C[C@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575056655 951523441 /nfs/dbraw/zinc/52/34/41/951523441.db2.gz KODIBGYZKOARLY-LLVKDONJSA-N 0 1 382.428 1.772 20 0 GDADMN C[C@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575062151 951565649 /nfs/dbraw/zinc/56/56/49/951565649.db2.gz USVQMENRHOGRPT-SSDOTTSWSA-N 0 1 383.890 1.946 20 0 GDADMN C[C@H](CNC(=O)c1csc(Cl)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575062151 951565654 /nfs/dbraw/zinc/56/56/54/951565654.db2.gz USVQMENRHOGRPT-SSDOTTSWSA-N 0 1 383.890 1.946 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)C1=O ZINC001595074827 951639441 /nfs/dbraw/zinc/63/94/41/951639441.db2.gz YBAJXIRJEAGYHT-PBHICJAKSA-N 0 1 397.269 1.418 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)C1=O ZINC001595074827 951639447 /nfs/dbraw/zinc/63/94/47/951639447.db2.gz YBAJXIRJEAGYHT-PBHICJAKSA-N 0 1 397.269 1.418 20 0 GDADMN C[C@H](CNC(=O)c1onc2c1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575070226 951649669 /nfs/dbraw/zinc/64/96/69/951649669.db2.gz PNAXBFOTEWMCON-NSHDSACASA-N 0 1 382.428 1.028 20 0 GDADMN C[C@@H](CNCc1cc(C(C)(C)C)on1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077237 951663889 /nfs/dbraw/zinc/66/38/89/951663889.db2.gz AZMSPJZGJTXGOZ-NSHDSACASA-N 0 1 386.460 1.636 20 0 GDADMN C[C@H](CNCc1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575081179 951720059 /nfs/dbraw/zinc/72/00/59/951720059.db2.gz PERYNNCQCKHHQJ-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1[O-])C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082557 951734086 /nfs/dbraw/zinc/73/40/86/951734086.db2.gz XDMASIBSGPYAKG-NSHDSACASA-N 0 1 385.403 1.262 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575089593 951751011 /nfs/dbraw/zinc/75/10/11/951751011.db2.gz GVXHKAVJPGWHIX-IUODEOHRSA-N 0 1 376.436 1.369 20 0 GDADMN O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001595091288 951777623 /nfs/dbraw/zinc/77/76/23/951777623.db2.gz OZWZOINBMKNBQZ-SJORKVTESA-N 0 1 388.468 1.026 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cscn1 ZINC001575091546 951778833 /nfs/dbraw/zinc/77/88/33/951778833.db2.gz URNTVKWWLMILOD-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001575098388 951822034 /nfs/dbraw/zinc/82/20/34/951822034.db2.gz CBLNTSQYTDFYMN-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001575098388 951822045 /nfs/dbraw/zinc/82/20/45/951822045.db2.gz CBLNTSQYTDFYMN-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099209 951830122 /nfs/dbraw/zinc/83/01/22/951830122.db2.gz ISDXDKOQQJVVJQ-PEYYIBSZSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099209 951830134 /nfs/dbraw/zinc/83/01/34/951830134.db2.gz ISDXDKOQQJVVJQ-PEYYIBSZSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575099838 951839780 /nfs/dbraw/zinc/83/97/80/951839780.db2.gz PDQMMFBAXSFLDE-SJKOYZFVSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575099838 951839788 /nfs/dbraw/zinc/83/97/88/951839788.db2.gz PDQMMFBAXSFLDE-SJKOYZFVSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CNC(=O)CCc1cncnc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099938 951842257 /nfs/dbraw/zinc/84/22/57/951842257.db2.gz QNGHOMDNFWDFPM-LBPRGKRZSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@H](CNC(=O)CCc1cncnc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099938 951842271 /nfs/dbraw/zinc/84/22/71/951842271.db2.gz QNGHOMDNFWDFPM-LBPRGKRZSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100605 951848441 /nfs/dbraw/zinc/84/84/41/951848441.db2.gz UOSOHTCFURKZDX-NSHDSACASA-N 0 1 389.460 1.547 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100605 951848451 /nfs/dbraw/zinc/84/84/51/951848451.db2.gz UOSOHTCFURKZDX-NSHDSACASA-N 0 1 389.460 1.547 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575134495 952111273 /nfs/dbraw/zinc/11/12/73/952111273.db2.gz INZHLKIWEFVUCJ-FOIQADDNSA-N 0 1 390.451 1.115 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575141505 952145297 /nfs/dbraw/zinc/14/52/97/952145297.db2.gz HPTOGGAJTJNJPR-UONOGXRCSA-N 0 1 380.456 1.216 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575143609 952155100 /nfs/dbraw/zinc/15/51/00/952155100.db2.gz BLZWJYPKSNLHQC-SFHVURJKSA-N 0 1 383.481 1.685 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001575143634 952155687 /nfs/dbraw/zinc/15/56/87/952155687.db2.gz QFTAKVIGMPKYFS-MGPQQGTHSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575143645 952155705 /nfs/dbraw/zinc/15/57/05/952155705.db2.gz QHYOXPSINDUSDE-MRXNPFEDSA-N 0 1 388.819 1.336 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc2c1CCCC2 ZINC001575143903 952159908 /nfs/dbraw/zinc/15/99/08/952159908.db2.gz DOWSTCYVRMTQIS-CYBMUJFWSA-N 0 1 392.467 1.530 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001575144381 952166728 /nfs/dbraw/zinc/16/67/28/952166728.db2.gz VBZZQPCVBTUTQV-SUMWQHHRSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575144804 952172641 /nfs/dbraw/zinc/17/26/41/952172641.db2.gz LUWVOSRRTIJMGW-CQSZACIVSA-N 0 1 377.452 1.674 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(c2ccccc2)CCC1 ZINC001575144910 952174582 /nfs/dbraw/zinc/17/45/82/952174582.db2.gz ZCXBZUSMQBBDAM-CQSZACIVSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575145578 952187282 /nfs/dbraw/zinc/18/72/82/952187282.db2.gz ANDYZFZXKYYWEJ-SNVBAGLBSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575145577 952187774 /nfs/dbraw/zinc/18/77/74/952187774.db2.gz ANDYZFZXKYYWEJ-JTQLQIEISA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575147383 952200056 /nfs/dbraw/zinc/20/00/56/952200056.db2.gz SEIDRFJDJDRUJO-NSHDSACASA-N 0 1 383.460 1.277 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575147740 952201239 /nfs/dbraw/zinc/20/12/39/952201239.db2.gz VHSSQRFEZLAYKE-GFCCVEGCSA-N 0 1 379.424 1.191 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575147908 952202315 /nfs/dbraw/zinc/20/23/15/952202315.db2.gz WXIQFQJAPIRIGK-GFCCVEGCSA-N 0 1 379.424 1.286 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157651 952265881 /nfs/dbraw/zinc/26/58/81/952265881.db2.gz OBAAWMFQKGMPEB-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157651 952265890 /nfs/dbraw/zinc/26/58/90/952265890.db2.gz OBAAWMFQKGMPEB-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157651 952265896 /nfs/dbraw/zinc/26/58/96/952265896.db2.gz OBAAWMFQKGMPEB-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157651 952265905 /nfs/dbraw/zinc/26/59/05/952265905.db2.gz OBAAWMFQKGMPEB-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cncnc1 ZINC001575165119 952304289 /nfs/dbraw/zinc/30/42/89/952304289.db2.gz LKBMDYXUAKBWTO-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575199293 952487996 /nfs/dbraw/zinc/48/79/96/952487996.db2.gz BRSZLDWOSIAVRO-DLOVCJGASA-N 0 1 385.407 1.062 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200398 952495813 /nfs/dbraw/zinc/49/58/13/952495813.db2.gz JAGJELMUUHVBCK-BZPMIXESSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CC(Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575200637 952496740 /nfs/dbraw/zinc/49/67/40/952496740.db2.gz DTAGVJRVCBTREH-ZOODHJKOSA-N 0 1 381.444 1.265 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC1(F)F ZINC001571120051 952499183 /nfs/dbraw/zinc/49/91/83/952499183.db2.gz IPOCHJIQQSAQFF-LSDHHAIUSA-N 0 1 376.411 1.993 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCC1(F)F ZINC001571120367 952501903 /nfs/dbraw/zinc/50/19/03/952501903.db2.gz LUNCGUMTDNVUQO-DZGCQCFKSA-N 0 1 376.411 1.993 20 0 GDADMN O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)c1ccccc1 ZINC001571120464 952503192 /nfs/dbraw/zinc/50/31/92/952503192.db2.gz NFXFXZTWZQMOSX-AWEZNQCLSA-N 0 1 376.424 1.446 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](Nc1ccc(-c2nn[nH]n2)cn1)C1CC1 ZINC001575201823 952508518 /nfs/dbraw/zinc/50/85/18/952508518.db2.gz QYQFJJGVEAPAFP-IAQYHMDHSA-N 0 1 381.444 1.170 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)cc1 ZINC001571121161 952515882 /nfs/dbraw/zinc/51/58/82/952515882.db2.gz XARYMRGHSCBPBI-DOMZBBRYSA-N 0 1 376.424 1.437 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575203487 952523670 /nfs/dbraw/zinc/52/36/70/952523670.db2.gz YKMQZTUDFUHWCR-NSHDSACASA-N 0 1 386.485 1.173 20 0 GDADMN CC(F)(F)C(=O)N1CC2(C1)CCN(Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC001575205931 952527256 /nfs/dbraw/zinc/52/72/56/952527256.db2.gz FZBJIPQGDMSJJA-UHFFFAOYSA-N 0 1 380.374 1.695 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C1CCC(F)(F)CC1 ZINC001571124689 952543103 /nfs/dbraw/zinc/54/31/03/952543103.db2.gz REXUAKPILMEYOO-HAQNSBGRSA-N 0 1 377.399 1.568 20 0 GDADMN O=C(CCc1ccccc1)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571127374 952554358 /nfs/dbraw/zinc/55/43/58/952554358.db2.gz FQVISKYURQYJIG-INIZCTEOSA-N 0 1 377.452 1.577 20 0 GDADMN Cc1cccc(CC(=O)N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)c1 ZINC001571128114 952563902 /nfs/dbraw/zinc/56/39/02/952563902.db2.gz PXVMZIHKWJXQHV-UHFFFAOYSA-N 0 1 377.452 1.770 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001575214921 952567129 /nfs/dbraw/zinc/56/71/29/952567129.db2.gz PLQUATSFKLNCQB-ZDUSSCGKSA-N 0 1 379.415 1.672 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575215079 952567520 /nfs/dbraw/zinc/56/75/20/952567520.db2.gz SLOHCLJOYQPCDI-XYPYZODXSA-N 0 1 379.415 1.672 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575215492 952569612 /nfs/dbraw/zinc/56/96/12/952569612.db2.gz URGYPKGDCHGVHN-UHFFFAOYSA-N 0 1 380.403 1.067 20 0 GDADMN O=C(NCC1CN(Cc2ccc(C3CC3)cc2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571128634 952570303 /nfs/dbraw/zinc/57/03/03/952570303.db2.gz VMWAYFMNFUOYHI-UHFFFAOYSA-N 0 1 377.452 1.934 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@H]1CCC1(F)F ZINC001571129497 952575109 /nfs/dbraw/zinc/57/51/09/952575109.db2.gz FEPLXNCBWUXMLY-NXEZZACHSA-N 0 1 378.387 1.033 20 0 GDADMN Cc1ccc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C)c1 ZINC001571134356 952589479 /nfs/dbraw/zinc/58/94/79/952589479.db2.gz HTXDGZSQUMYVKJ-LJQANCHMSA-N 0 1 378.440 1.672 20 0 GDADMN C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC001571135638 952607114 /nfs/dbraw/zinc/60/71/14/952607114.db2.gz ZRUISHUYTPQREH-HNNXBMFYSA-N 0 1 378.440 1.393 20 0 GDADMN O=C(N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc(CN2CCCC2)o1 ZINC001571136629 952615144 /nfs/dbraw/zinc/61/51/44/952615144.db2.gz TVSYJWRNHYVHNB-MRXNPFEDSA-N 0 1 378.436 1.953 20 0 GDADMN Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC001571141464 952634258 /nfs/dbraw/zinc/63/42/58/952634258.db2.gz HBNOIBRBZGNAAB-ZACQAIPSSA-N 0 1 378.440 1.136 20 0 GDADMN O=C(c1ncc[nH]1)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571142350 952641419 /nfs/dbraw/zinc/64/14/19/952641419.db2.gz PULOMPHHACFISF-JKSUJKDBSA-N 0 1 378.440 1.326 20 0 GDADMN Cc1c[nH]cc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571148210 952665377 /nfs/dbraw/zinc/66/53/77/952665377.db2.gz VOPLBLQAXAIUQO-KBPBESRZSA-N 0 1 379.428 1.177 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CC1(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571152186 952681271 /nfs/dbraw/zinc/68/12/71/952681271.db2.gz CXNBKEYGMPUQAY-ZANVPECISA-N 0 1 380.374 1.598 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3ccon3)C23CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571157882 952708042 /nfs/dbraw/zinc/70/80/42/952708042.db2.gz BKZNHOOPJUNKKF-GJZGRUSLSA-N 0 1 380.412 1.133 20 0 GDADMN Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571158899 952714287 /nfs/dbraw/zinc/71/42/87/952714287.db2.gz TZWBMSHAFOTVOT-CYBMUJFWSA-N 0 1 379.428 1.007 20 0 GDADMN O=C(NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cc(C2CC2)no1 ZINC001571160753 952728632 /nfs/dbraw/zinc/72/86/32/952728632.db2.gz LRVGITNAZIBJQU-UMSPYCQHSA-N 0 1 380.412 1.170 20 0 GDADMN CCn1cccc1C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571169502 952775119 /nfs/dbraw/zinc/77/51/19/952775119.db2.gz FCBODSNAZMSKOJ-AWEZNQCLSA-N 0 1 380.456 1.530 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1(C)C ZINC001571169669 952777046 /nfs/dbraw/zinc/77/70/46/952777046.db2.gz KFQQMEBVVXGWQA-HNNXBMFYSA-N 0 1 380.456 1.851 20 0 GDADMN CN(C)c1cccc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571170892 952789238 /nfs/dbraw/zinc/78/92/38/952789238.db2.gz YWUSUMGYNHGKLQ-HNNXBMFYSA-N 0 1 380.456 1.265 20 0 GDADMN C[C@@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1ccon1 ZINC001571172015 952800617 /nfs/dbraw/zinc/80/06/17/952800617.db2.gz KMCRTUPLTGFVFX-RQJHMYQMSA-N 0 1 380.821 1.680 20 0 GDADMN CS[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001571172872 952810225 /nfs/dbraw/zinc/81/02/25/952810225.db2.gz ZXVBOIAICSJNJK-IJLUTSLNSA-N 0 1 380.543 1.864 20 0 GDADMN CS[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001571172872 952810229 /nfs/dbraw/zinc/81/02/29/952810229.db2.gz ZXVBOIAICSJNJK-IJLUTSLNSA-N 0 1 380.543 1.864 20 0 GDADMN Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001571179591 952854738 /nfs/dbraw/zinc/85/47/38/952854738.db2.gz GKKFYYWVUYSQIG-MLGOLLRUSA-N 0 1 381.440 1.697 20 0 GDADMN O=C(Cc1ccoc1)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571179977 952857865 /nfs/dbraw/zinc/85/78/65/952857865.db2.gz LKOBWOMJTDMCNT-CTYIDZIISA-N 0 1 381.440 1.606 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)Cc3ccco3)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180189 952859106 /nfs/dbraw/zinc/85/91/06/952859106.db2.gz MJSCNZKTNIUPFN-KBPBESRZSA-N 0 1 381.440 1.879 20 0 GDADMN Cn1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(-c5nn[nH]n5)cc4F)C[C@H]32)c1 ZINC001571182781 952868895 /nfs/dbraw/zinc/86/88/95/952868895.db2.gz FQOLWXNMEAMOIV-QLPKVWCKSA-N 0 1 381.415 1.205 20 0 GDADMN C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2ccccc2-n2cnc(-c3nn[n-]n3)n2)C1 ZINC001571185826 952904030 /nfs/dbraw/zinc/90/40/30/952904030.db2.gz QHVTVRHORHOSGD-STQMWFEESA-N 0 1 381.444 1.506 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)n3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187619 952909500 /nfs/dbraw/zinc/90/95/00/952909500.db2.gz AAJAOGDNJRKMIT-KBPBESRZSA-N 0 1 381.444 1.113 20 0 GDADMN Cc1cc(C(=O)N2CCCC[C@@H]2CCNc2ncccc2-c2nn[nH]n2)n[nH]1 ZINC001571188195 952912762 /nfs/dbraw/zinc/91/27/62/952912762.db2.gz HZRHQEAFAJBNFI-CYBMUJFWSA-N 0 1 381.444 1.790 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3cn(C(C)C)cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188602 952916765 /nfs/dbraw/zinc/91/67/65/952916765.db2.gz LPYASOAQNXZOLF-CYBMUJFWSA-N 0 1 381.444 1.356 20 0 GDADMN Cc1nc(N[C@H](C)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189002 952922696 /nfs/dbraw/zinc/92/26/96/952922696.db2.gz LTTTWOBCOVGNIC-DGCLKSJQSA-N 0 1 381.444 1.646 20 0 GDADMN Cc1cc(N2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(C)C)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189984 952938698 /nfs/dbraw/zinc/93/86/98/952938698.db2.gz BRKLRGCXYHFYCJ-FZKCQIBNSA-N 0 1 381.484 1.757 20 0 GDADMN CCc1cc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C(C)(C)C2)no1 ZINC001571199213 952997697 /nfs/dbraw/zinc/99/76/97/952997697.db2.gz NKUUQGVMJPAGDI-HNNXBMFYSA-N 0 1 382.428 1.197 20 0 GDADMN Cc1conc1C(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571200189 953007438 /nfs/dbraw/zinc/00/74/38/953007438.db2.gz BOTUFLYWYBZRAW-SFHVURJKSA-N 0 1 382.428 1.253 20 0 GDADMN Cc1conc1C(=O)NC1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571200200 953007450 /nfs/dbraw/zinc/00/74/50/953007450.db2.gz BUIWBLCLCUQCFH-UHFFFAOYSA-N 0 1 382.428 1.655 20 0 GDADMN Cc1ccoc1C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571200886 953013327 /nfs/dbraw/zinc/01/33/27/953013327.db2.gz HNLVFHWTWPUEEU-CHWSQXEVSA-N 0 1 382.428 1.475 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)no1 ZINC001571201017 953013675 /nfs/dbraw/zinc/01/36/75/953013675.db2.gz IDDQIRQRXCBFMC-JSGCOSHPSA-N 0 1 382.428 1.299 20 0 GDADMN Cc1cc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571201091 953015130 /nfs/dbraw/zinc/01/51/30/953015130.db2.gz JQVITKFTBSKNIG-HOTGVXAUSA-N 0 1 382.428 1.370 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)no1 ZINC001571201354 953017511 /nfs/dbraw/zinc/01/75/11/953017511.db2.gz KOOYVRXFUYBVFX-WCQYABFASA-N 0 1 382.428 1.190 20 0 GDADMN CC(C)c1nocc1C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571201543 953018796 /nfs/dbraw/zinc/01/87/96/953018796.db2.gz RHIJKQMDNQGEKY-UHFFFAOYSA-N 0 1 382.428 1.512 20 0 GDADMN Cc1occc1C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571206914 953057031 /nfs/dbraw/zinc/05/70/31/953057031.db2.gz SWLFIVYVZXQDIY-UHFFFAOYSA-N 0 1 382.428 1.334 20 0 GDADMN C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212089 953083431 /nfs/dbraw/zinc/08/34/31/953083431.db2.gz IPSOWEQBIXPXNB-AHDPXTMNSA-N 0 1 382.472 1.164 20 0 GDADMN C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212090 953084128 /nfs/dbraw/zinc/08/41/28/953084128.db2.gz IPSOWEQBIXPXNB-MRLBHPIUSA-N 0 1 382.472 1.164 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCCC[C@@H]2NC(=O)c2cnn[nH]2)n1 ZINC001571213759 953097285 /nfs/dbraw/zinc/09/72/85/953097285.db2.gz VLFHRMODWPUIRJ-AAEUAGOBSA-N 0 1 382.432 1.089 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001571217842 953111154 /nfs/dbraw/zinc/11/11/54/953111154.db2.gz QBMINDMZZAWHDF-QWRGUYRKSA-N 0 1 383.378 1.533 20 0 GDADMN O=C(c1cc(F)c[nH]1)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571218930 953120781 /nfs/dbraw/zinc/12/07/81/953120781.db2.gz HJSGQIXMGNDZEK-STQMWFEESA-N 0 1 383.391 1.007 20 0 GDADMN O=C(C1CCC1)N1CCC([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571219395 953125804 /nfs/dbraw/zinc/12/58/04/953125804.db2.gz YWAMBYMFGMHUNA-HNNXBMFYSA-N 0 1 382.472 1.522 20 0 GDADMN COc1nc(C(=O)N[C@@]2(C)CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571220168 953129397 /nfs/dbraw/zinc/12/93/97/953129397.db2.gz YAXKTWHLOPOTKI-SFHVURJKSA-N 0 1 383.412 1.258 20 0 GDADMN Cc1cc(N2CCN(C(=O)CCc3cccs3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571234356 953201623 /nfs/dbraw/zinc/20/16/23/953201623.db2.gz VDLAKNDUOBTQOB-UHFFFAOYSA-N 0 1 383.481 1.913 20 0 GDADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC(c2nn[nH]n2)CC1 ZINC001571236691 953219078 /nfs/dbraw/zinc/21/90/78/953219078.db2.gz BKRGXPLYGJDYJX-UHFFFAOYSA-N 0 1 384.404 1.190 20 0 GDADMN CN(C(=O)Cc1ccco1)[C@@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571238956 953234917 /nfs/dbraw/zinc/23/49/17/953234917.db2.gz DBSYKXROCOETMB-CQSZACIVSA-N 0 1 384.415 1.874 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]n1 ZINC001571239122 953236356 /nfs/dbraw/zinc/23/63/56/953236356.db2.gz GEIAWQDDBJXDOX-LBPRGKRZSA-N 0 1 384.419 1.289 20 0 GDADMN Cc1cc(N(C)[C@@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571241789 953249370 /nfs/dbraw/zinc/24/93/70/953249370.db2.gz LPXCPJDHKBIVBO-CYBMUJFWSA-N 0 1 384.419 1.778 20 0 GDADMN CSc1ccc(N2C[C@H](C(=O)Nc3c[nH]nc3-c3nn[nH]n3)CC2=O)cc1 ZINC001571242045 953252282 /nfs/dbraw/zinc/25/22/82/953252282.db2.gz UPDDOMCUVIIGFP-SECBINFHSA-N 0 1 384.425 1.303 20 0 GDADMN CCc1cnc(CNC2(C)CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571242610 953257639 /nfs/dbraw/zinc/25/76/39/953257639.db2.gz KDVSWDYAUWGCRC-UHFFFAOYSA-N 0 1 384.444 1.530 20 0 GDADMN C[C@H](NC(=O)c1ccsn1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571244706 953266704 /nfs/dbraw/zinc/26/67/04/953266704.db2.gz FSFZNZWBXBIXLZ-NSHDSACASA-N 0 1 384.469 1.753 20 0 GDADMN Cc1ncc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)s1 ZINC001571244807 953267800 /nfs/dbraw/zinc/26/78/00/953267800.db2.gz JJMQMSSPCNXEBM-MFKMUULPSA-N 0 1 384.469 1.732 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cccs2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571244925 953268106 /nfs/dbraw/zinc/26/81/06/953268106.db2.gz AEHRFJRRPJIPPW-NEPJUHHUSA-N 0 1 384.469 1.493 20 0 GDADMN Cc1csc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001571245172 953270876 /nfs/dbraw/zinc/27/08/76/953270876.db2.gz OWEMDXYKUZAVPF-LBPRGKRZSA-N 0 1 384.469 1.816 20 0 GDADMN C[C@H]1CC[C@H](NC(=O)c2csnn2)CN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571245318 953272195 /nfs/dbraw/zinc/27/21/95/953272195.db2.gz GGQKEXAAUNVRGL-FZMZJTMJSA-N 0 1 384.469 1.501 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC001571245759 953276611 /nfs/dbraw/zinc/27/66/11/953276611.db2.gz YTRKQUCRHJNSTP-CYBMUJFWSA-N 0 1 384.469 1.388 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249091 953300631 /nfs/dbraw/zinc/30/06/31/953300631.db2.gz DAKMHGOLDMRIBK-BFHYXJOUSA-N 0 1 384.488 1.411 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249075 953300827 /nfs/dbraw/zinc/30/08/27/953300827.db2.gz CKIZCIMUSBBEOS-MGPQQGTHSA-N 0 1 384.488 1.411 20 0 GDADMN CCC1(C(=O)N2CCC(CCN(C)c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001571249715 953307443 /nfs/dbraw/zinc/30/74/43/953307443.db2.gz KTMBFIIHDHTMAI-UHFFFAOYSA-N 0 1 384.488 1.912 20 0 GDADMN CC(=O)N1CCC[C@H](C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CCCC2)C1 ZINC001571250231 953308905 /nfs/dbraw/zinc/30/89/05/953308905.db2.gz OSYVUBDIYWXLBM-ZBFHGGJFSA-N 0 1 384.488 1.698 20 0 GDADMN CCC(CC)C(=O)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571250664 953312420 /nfs/dbraw/zinc/31/24/20/953312420.db2.gz RVKIRPGVZGCKPT-IBGZPJMESA-N 0 1 384.488 1.912 20 0 GDADMN O=C(CC1CCCCC1)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571251482 953317230 /nfs/dbraw/zinc/31/72/30/953317230.db2.gz YOTJQYREPLEKBF-QZTJIDSGSA-N 0 1 384.484 1.498 20 0 GDADMN CC[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571252047 953323577 /nfs/dbraw/zinc/32/35/77/953323577.db2.gz GFAARICAYFJZEZ-KKUMJFAQSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CC[C@H](C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571252336 953327203 /nfs/dbraw/zinc/32/72/03/953327203.db2.gz LJEWCTQNKHKSPO-RBSFLKMASA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H]1CC[C@H](C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571252336 953327205 /nfs/dbraw/zinc/32/72/05/953327205.db2.gz LJEWCTQNKHKSPO-RBSFLKMASA-N 0 1 384.488 1.816 20 0 GDADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571252494 953329503 /nfs/dbraw/zinc/32/95/03/953329503.db2.gz NUXWIKJDPSXMEO-UONOGXRCSA-N 0 1 384.488 1.768 20 0 GDADMN Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(Cl)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571255550 953350847 /nfs/dbraw/zinc/35/08/47/953350847.db2.gz OGECKRCHUSWBLW-RYUDHWBXSA-N 0 1 384.831 1.655 20 0 GDADMN O=C([O-])C1(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CCOCC1 ZINC001594743048 953373253 /nfs/dbraw/zinc/37/32/53/953373253.db2.gz PLUYQWIJUXTPQT-QGZVFWFLSA-N 0 1 376.453 1.182 20 0 GDADMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000530209786 953560132 /nfs/dbraw/zinc/56/01/32/953560132.db2.gz 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531800613 /nfs/dbraw/zinc/80/06/13/531800613.db2.gz MZIYLICFNVAVDY-UHFFFAOYSA-N 0 1 386.193 1.537 20 0 GDADMN COCC(COC)S(=O)(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000641307762 531801050 /nfs/dbraw/zinc/80/10/50/531801050.db2.gz KGQODMABJHPLGI-AWEZNQCLSA-N 0 1 376.544 1.541 20 0 GDADMN O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000562942447 531789958 /nfs/dbraw/zinc/78/99/58/531789958.db2.gz BGWMHEFVSUEZBO-LLVKDONJSA-N 0 1 381.307 1.542 20 0 GDADMN O=C1CC[C@H](NCc2nnnn2-c2ccccc2Br)C2(CCC2)N1 ZINC000282743425 531790003 /nfs/dbraw/zinc/79/00/03/531790003.db2.gz JKQSGBXVEPESRH-ZDUSSCGKSA-N 0 1 391.273 1.716 20 0 GDADMN O=C(Cc1[nH]nc2ccccc21)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269870489 531791569 /nfs/dbraw/zinc/79/15/69/531791569.db2.gz YVXNCGSGWZOHNU-NSHDSACASA-N 0 1 379.463 1.118 20 0 GDADMN O=C1[C@@H](NC[C@H](O)CN2CCOCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000563012905 531797655 /nfs/dbraw/zinc/79/76/55/531797655.db2.gz CYPVCANOOZQRBY-BBRMVZONSA-N 0 1 388.295 1.381 20 0 GDADMN Cn1c(SCC(=O)NCc2n[nH]c(C3CC3)n2)nnc1-c1cccs1 ZINC000452892220 531799894 /nfs/dbraw/zinc/79/98/94/531799894.db2.gz BOYMBNCRDNKZCH-UHFFFAOYSA-N 0 1 375.483 1.948 20 0 GDADMN CO[C@H](C)CS(=O)(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000367035898 531803026 /nfs/dbraw/zinc/80/30/26/531803026.db2.gz LFNRFZSGKPULRS-SKDRFNHKSA-N 0 1 378.376 1.867 20 0 GDADMN CCCN(C(=O)c1c(I)cnn1C)[C@H]1CCN(C)C1 ZINC000592829763 531805282 /nfs/dbraw/zinc/80/52/82/531805282.db2.gz YGVHRYJUFGYLJG-JTQLQIEISA-N 0 1 376.242 1.581 20 0 GDADMN CCC[C@H]1CNCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000514790607 531806036 /nfs/dbraw/zinc/80/60/36/531806036.db2.gz GEDIBQRDUTVGAG-AWEZNQCLSA-N 0 1 385.555 1.676 20 0 GDADMN CCN1CCc2nc(NC(=O)c3ccc(NS(C)(=O)=O)nc3)sc2C1 ZINC000623556420 531816531 /nfs/dbraw/zinc/81/65/31/531816531.db2.gz FWNLFJPWWFXFRM-UHFFFAOYSA-N 0 1 381.483 1.540 20 0 GDADMN C[C@@H]1CN(S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000641403517 531819257 /nfs/dbraw/zinc/81/92/57/531819257.db2.gz 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20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCN(C)c1ccccc1 ZINC000820788848 606785401 /nfs/dbraw/zinc/78/54/01/606785401.db2.gz PHIOSKCLVCJFFO-OAHLLOKOSA-N 0 1 379.472 1.304 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCN(C)c1ccccc1 ZINC000820788848 606785403 /nfs/dbraw/zinc/78/54/03/606785403.db2.gz PHIOSKCLVCJFFO-OAHLLOKOSA-N 0 1 379.472 1.304 20 0 GDADMN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1c(F)cc(-c3nn[nH]n3)cc1F)CO2 ZINC000822274634 606875087 /nfs/dbraw/zinc/87/50/87/606875087.db2.gz DCOVVQFIYMCSKC-ZDUSSCGKSA-N 0 1 393.375 1.865 20 0 GDADMN CC(C)n1ccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)n1 ZINC000820215525 606891685 /nfs/dbraw/zinc/89/16/85/606891685.db2.gz WIQQPDMZWDHNPZ-UHFFFAOYSA-N 0 1 383.384 1.401 20 0 GDADMN Cc1nc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)sc1C ZINC000822444752 606894083 /nfs/dbraw/zinc/89/40/83/606894083.db2.gz YSQYMDOZSTZLEA-UHFFFAOYSA-N 0 1 386.409 1.697 20 0 GDADMN CCc1cnc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)s1 ZINC000821499978 606894312 /nfs/dbraw/zinc/89/43/12/606894312.db2.gz YYFHGCFMTIAWPW-UHFFFAOYSA-N 0 1 386.409 1.642 20 0 GDADMN C[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccncc1 ZINC000820274009 606894992 /nfs/dbraw/zinc/89/49/92/606894992.db2.gz BNXZIRISUDCSBK-SECBINFHSA-N 0 1 380.380 1.622 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000822006015 606906388 /nfs/dbraw/zinc/90/63/88/606906388.db2.gz XHGVPTPYVFKUGH-BMIGLBTASA-N 0 1 385.472 1.116 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000822006015 606906390 /nfs/dbraw/zinc/90/63/90/606906390.db2.gz XHGVPTPYVFKUGH-BMIGLBTASA-N 0 1 385.472 1.116 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000822006015 606906391 /nfs/dbraw/zinc/90/63/91/606906391.db2.gz XHGVPTPYVFKUGH-BMIGLBTASA-N 0 1 385.472 1.116 20 0 GDADMN CC(C)(C)c1nc([C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000819966164 607068975 /nfs/dbraw/zinc/06/89/75/607068975.db2.gz YAZJKGNWBUOXSR-CQSZACIVSA-N 0 1 386.435 1.995 20 0 GDADMN CC(C)(C)c1nnc([C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)CCO2)[nH]1 ZINC000819966164 607068977 /nfs/dbraw/zinc/06/89/77/607068977.db2.gz YAZJKGNWBUOXSR-CQSZACIVSA-N 0 1 386.435 1.995 20 0 GDADMN Cn1nnc2cc(CN3CCN(c4ccccc4-c4nn[nH]n4)CC3)ccc21 ZINC000822714158 607174636 /nfs/dbraw/zinc/17/46/36/607174636.db2.gz HSKXXKOCXDTAJW-UHFFFAOYSA-N 0 1 375.440 1.471 20 0 GDADMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1N1CCOCC1 ZINC000820993913 607177397 /nfs/dbraw/zinc/17/73/97/607177397.db2.gz BZXDKABBQPEUOW-HDMKZQKVSA-N 0 1 399.499 1.236 20 0 GDADMN Cc1nc(-c2ccc(CCNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)cs1 ZINC000822419664 607206222 /nfs/dbraw/zinc/20/62/22/607206222.db2.gz RZNWOKGNTQSKON-UHFFFAOYSA-N 0 1 395.452 1.249 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000823123071 607209866 /nfs/dbraw/zinc/20/98/66/607209866.db2.gz MSNMHNBWAYDEAN-BQBZGAKWSA-N 0 1 398.271 1.048 20 0 GDADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820293557 607216498 /nfs/dbraw/zinc/21/64/98/607216498.db2.gz MQCKZXMLWPBAAO-VIFPVBQESA-N 0 1 380.334 1.224 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCc1ccc(Cl)cc1Cl ZINC000823132035 607221069 /nfs/dbraw/zinc/22/10/69/607221069.db2.gz WFRMROHEMXDABI-UHFFFAOYSA-N 0 1 381.227 1.514 20 0 GDADMN Cc1nc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)oc1-c1ccc(Cl)cc1 ZINC000822440147 607222260 /nfs/dbraw/zinc/22/22/60/607222260.db2.gz IQCHFGYIBKQGJO-UHFFFAOYSA-N 0 1 399.802 1.391 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000823127128 607222563 /nfs/dbraw/zinc/22/25/63/607222563.db2.gz UEZUUQBTQDBXKL-SNGWPZLWSA-N 0 1 378.440 1.943 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)c2c(C)noc2C)cc1-c1nn[nH]n1 ZINC000826229939 607780956 /nfs/dbraw/zinc/78/09/56/607780956.db2.gz XHBSOUQIKRFLMM-SSDOTTSWSA-N 0 1 389.441 1.828 20 0 GDADMN CCCN1C(=O)N=NC1SCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825356971 607814689 /nfs/dbraw/zinc/81/46/89/607814689.db2.gz SNWNIWWCYXCMIO-UHFFFAOYSA-N 0 1 395.470 1.140 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)[nH]c3ccccc32)c1-c1nnn[n-]1 ZINC000826077792 608019774 /nfs/dbraw/zinc/01/97/74/608019774.db2.gz WFIBSTBMNKUJKO-UHFFFAOYSA-N 0 1 393.455 1.713 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)[nH]c3ccccc32)c1-c1nn[n-]n1 ZINC000826077792 608019775 /nfs/dbraw/zinc/01/97/75/608019775.db2.gz WFIBSTBMNKUJKO-UHFFFAOYSA-N 0 1 393.455 1.713 20 0 GDADMN CCC(=O)Nc1cccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)c1 ZINC000825034587 608020096 /nfs/dbraw/zinc/02/00/96/608020096.db2.gz MKPKVLHNSGRJFK-UHFFFAOYSA-N 0 1 397.443 1.343 20 0 GDADMN CCC(=O)Nc1cccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)c1 ZINC000825034587 608020097 /nfs/dbraw/zinc/02/00/97/608020097.db2.gz MKPKVLHNSGRJFK-UHFFFAOYSA-N 0 1 397.443 1.343 20 0 GDADMN Cc1ccccc1NC(=O)CC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826307443 608036248 /nfs/dbraw/zinc/03/62/48/608036248.db2.gz IHFOHWPCIYEUJO-UHFFFAOYSA-N 0 1 383.460 1.374 20 0 GDADMN Cc1ccccc1NC(=O)CC[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826307443 608036247 /nfs/dbraw/zinc/03/62/47/608036247.db2.gz IHFOHWPCIYEUJO-UHFFFAOYSA-N 0 1 383.460 1.374 20 0 GDADMN Cc1ccccc1NC(=O)CC[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307443 608036249 /nfs/dbraw/zinc/03/62/49/608036249.db2.gz IHFOHWPCIYEUJO-UHFFFAOYSA-N 0 1 383.460 1.374 20 0 GDADMN Cc1ccccc1NC(=O)CC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307443 608036250 /nfs/dbraw/zinc/03/62/50/608036250.db2.gz IHFOHWPCIYEUJO-UHFFFAOYSA-N 0 1 383.460 1.374 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCN1CCCc2ccccc21 ZINC000825933432 608064609 /nfs/dbraw/zinc/06/46/09/608064609.db2.gz DPJCASZPUVJJCF-UHFFFAOYSA-N 0 1 381.488 1.489 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCN1CCCc2ccccc21 ZINC000825933432 608064610 /nfs/dbraw/zinc/06/46/10/608064610.db2.gz DPJCASZPUVJJCF-UHFFFAOYSA-N 0 1 381.488 1.489 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCN1CCCc2ccccc21 ZINC000825933432 608064611 /nfs/dbraw/zinc/06/46/11/608064611.db2.gz DPJCASZPUVJJCF-UHFFFAOYSA-N 0 1 381.488 1.489 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCN1CCCc2ccccc21 ZINC000825933432 608064612 /nfs/dbraw/zinc/06/46/12/608064612.db2.gz DPJCASZPUVJJCF-UHFFFAOYSA-N 0 1 381.488 1.489 20 0 GDADMN C[C@@H]1C[C@@H](CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO1 ZINC000824883735 608125062 /nfs/dbraw/zinc/12/50/62/608125062.db2.gz IWNSMTYKFIFNBX-ZJUUUORDSA-N 0 1 387.412 1.628 20 0 GDADMN CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000824207109 608194753 /nfs/dbraw/zinc/19/47/53/608194753.db2.gz PVOFPBHSXAINDD-YVEFUNNKSA-N 0 1 381.440 1.667 20 0 GDADMN O=C(CCCC(=O)N[C@@H]1CCc2nc[nH]c2C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826405510 608195899 /nfs/dbraw/zinc/19/58/99/608195899.db2.gz INTCXSIHJTXXFA-GFCCVEGCSA-N 0 1 394.439 1.372 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000825739470 608204507 /nfs/dbraw/zinc/20/45/07/608204507.db2.gz DURKXTRCOCWDMN-RISCZKNCSA-N 0 1 381.444 1.393 20 0 GDADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826471816 608206291 /nfs/dbraw/zinc/20/62/91/608206291.db2.gz NMUVWDADARCVKC-AWEZNQCLSA-N 0 1 375.396 1.957 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824487728 608316463 /nfs/dbraw/zinc/31/64/63/608316463.db2.gz CEUUVGZEFGNQFZ-NXEZZACHSA-N 0 1 394.361 1.785 20 0 GDADMN CC[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CCN1C[C@@H](C)O ZINC000825205495 608337386 /nfs/dbraw/zinc/33/73/86/608337386.db2.gz WKDRSNMZIAJJOP-TZMCWYRMSA-N 0 1 389.460 1.184 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CCC3(CCC[N@@H+]3C)CC2)c(-c2nn[n-]n2)c1C ZINC000826341528 608384847 /nfs/dbraw/zinc/38/48/47/608384847.db2.gz JPYFQBMQZJDJKC-ZDUSSCGKSA-N 0 1 387.488 1.964 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CCC3(CCC[N@H+]3C)CC2)c(-c2nn[n-]n2)c1C ZINC000826341528 608384849 /nfs/dbraw/zinc/38/48/49/608384849.db2.gz JPYFQBMQZJDJKC-ZDUSSCGKSA-N 0 1 387.488 1.964 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000826278427 608392665 /nfs/dbraw/zinc/39/26/65/608392665.db2.gz BLXROPYRSOZBTH-UHFFFAOYSA-N 0 1 389.441 1.016 20 0 GDADMN CC[C@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825220376 608407297 /nfs/dbraw/zinc/40/72/97/608407297.db2.gz ROCONQPGBUIFNE-JKSUJKDBSA-N 0 1 390.513 1.199 20 0 GDADMN COCC[N@H+](C)CCOc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826157710 608411855 /nfs/dbraw/zinc/41/18/55/608411855.db2.gz IBWQVMXCCNTYCC-UHFFFAOYSA-N 0 1 384.444 1.226 20 0 GDADMN COCC[N@@H+](C)CCOc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826157710 608411857 /nfs/dbraw/zinc/41/18/57/608411857.db2.gz IBWQVMXCCNTYCC-UHFFFAOYSA-N 0 1 384.444 1.226 20 0 GDADMN C[C@H](NCC(=O)N1CCN(Cc2ccco2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554560 608460336 /nfs/dbraw/zinc/46/03/36/608460336.db2.gz QLUUWSJDMZQZAI-HNNXBMFYSA-N 0 1 395.467 1.455 20 0 GDADMN C[C@@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000824562589 608489513 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ZINC001571287474 945973840 /nfs/dbraw/zinc/97/38/40/945973840.db2.gz FDRPIMCLVBBLLJ-CYBMUJFWSA-N 0 1 388.447 1.465 20 0 GDADMN COC1CC(C(=O)N[C@@]2(C)CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571287848 945980235 /nfs/dbraw/zinc/98/02/35/945980235.db2.gz JKYQCCQLMXVLOJ-JBAZFKOSSA-N 0 1 388.447 1.511 20 0 GDADMN O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1sccc1F ZINC001571288969 945995536 /nfs/dbraw/zinc/99/55/36/945995536.db2.gz VOCLTNHVPRVCCA-ZJUUUORDSA-N 0 1 388.432 1.432 20 0 GDADMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290097 946029126 /nfs/dbraw/zinc/02/91/26/946029126.db2.gz VFVAARSIZIMFPC-GHMZBOCLSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290097 946029135 /nfs/dbraw/zinc/02/91/35/946029135.db2.gz VFVAARSIZIMFPC-GHMZBOCLSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@@H]1CC[C@H](NC(=O)c2occc2Cl)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571290938 946063587 /nfs/dbraw/zinc/06/35/87/946063587.db2.gz UYMYUVLYNQQFPJ-ZJUUUORDSA-N 0 1 388.819 1.690 20 0 GDADMN O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC(F)(F)C1 ZINC001571294472 946136000 /nfs/dbraw/zinc/13/60/00/946136000.db2.gz IBZYJVZNFXQEAD-ZBEGNZNMSA-N 0 1 390.398 1.320 20 0 GDADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC001571295387 946162160 /nfs/dbraw/zinc/16/21/60/946162160.db2.gz ZKCPSCBGFKCLEH-GFCCVEGCSA-N 0 1 389.822 1.992 20 0 GDADMN O=C(N[C@@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccncc1 ZINC001571298536 946219360 /nfs/dbraw/zinc/21/93/60/946219360.db2.gz AMESNAPHQBVIST-SNVBAGLBSA-N 0 1 390.860 1.770 20 0 GDADMN CN(C(=O)c1sccc1Cl)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571298572 946222653 /nfs/dbraw/zinc/22/26/53/946222653.db2.gz BCWSDOJZFDSALY-VIFPVBQESA-N 0 1 390.860 1.723 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1csnn1 ZINC001571298738 946227841 /nfs/dbraw/zinc/22/78/41/946227841.db2.gz QHQUCWXPOAHEHD-NXEZZACHSA-N 0 1 390.498 1.563 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1csnn1 ZINC001571298738 946227851 /nfs/dbraw/zinc/22/78/51/946227851.db2.gz QHQUCWXPOAHEHD-NXEZZACHSA-N 0 1 390.498 1.563 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000325428345 971214952 /nfs/dbraw/zinc/21/49/52/971214952.db2.gz YUPMEIQSDXDCEF-KOLCDFICSA-N 0 1 376.862 1.808 20 0 GDADMN CC[C@H](SC)C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571299182 946244415 /nfs/dbraw/zinc/24/44/15/946244415.db2.gz JMEOENNFNRDPCA-ZDUSSCGKSA-N 0 1 390.517 1.261 20 0 GDADMN Cc1nsc(N2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299726 946259346 /nfs/dbraw/zinc/25/93/46/946259346.db2.gz OXMJZEDNHMGKCR-WCQYABFASA-N 0 1 390.517 1.011 20 0 GDADMN Cc1nsc(N2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299726 946259357 /nfs/dbraw/zinc/25/93/57/946259357.db2.gz OXMJZEDNHMGKCR-WCQYABFASA-N 0 1 390.517 1.011 20 0 GDADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1ccncc1-c1nn[nH]n1 ZINC001571301952 946288208 /nfs/dbraw/zinc/28/82/08/946288208.db2.gz IWXIZIPGSAAMFF-AVGNSLFASA-N 0 1 391.426 1.838 20 0 GDADMN O=C(c1ccnnc1)N1CCC2(C1)CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571302838 946315520 /nfs/dbraw/zinc/31/55/20/946315520.db2.gz HEKOAVVIOBQKRZ-UHFFFAOYSA-N 0 1 391.439 1.184 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccnc(C3CC3)c2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571303948 946351608 /nfs/dbraw/zinc/35/16/08/946351608.db2.gz TUGCYJHFPHZPON-RISCZKNCSA-N 0 1 391.439 1.326 20 0 GDADMN O=C(NC[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ncccn1 ZINC001571305864 946380376 /nfs/dbraw/zinc/38/03/76/946380376.db2.gz MEUYJHDAJUDOKJ-MRVPVSSYSA-N 0 1 391.848 1.023 20 0 GDADMN Cc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571306283 946394608 /nfs/dbraw/zinc/39/46/08/946394608.db2.gz JIHYXZZLOYTCFW-LJQANCHMSA-N 0 1 391.479 1.893 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571307548 946422545 /nfs/dbraw/zinc/42/25/45/946422545.db2.gz DPCWWZKNJUCWFC-WDEREUQCSA-N 0 1 392.414 1.163 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571307520 946422776 /nfs/dbraw/zinc/42/27/76/946422776.db2.gz CYBQLKSZFHRDDD-VXGBXAGGSA-N 0 1 392.414 1.377 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc2c(c1)COC2 ZINC001571309589 946449015 /nfs/dbraw/zinc/44/90/15/946449015.db2.gz DWXUJJUSUPPANP-OAHLLOKOSA-N 0 1 392.423 1.086 20 0 GDADMN CC(C)(C)c1ccccc1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571310509 946472871 /nfs/dbraw/zinc/47/28/71/946472871.db2.gz HZAVZXPJAUYUPO-UHFFFAOYSA-N 0 1 392.467 1.917 20 0 GDADMN COc1cccc(C[C@H]2CN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)CC[NH2+]2)c1 ZINC001571312782 946500245 /nfs/dbraw/zinc/50/02/45/946500245.db2.gz CXHFYMDJARCTDR-HNNXBMFYSA-N 0 1 392.467 1.564 20 0 GDADMN COc1cccc(C[C@H]2CN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)CC[NH2+]2)c1 ZINC001571312782 946500256 /nfs/dbraw/zinc/50/02/56/946500256.db2.gz CXHFYMDJARCTDR-HNNXBMFYSA-N 0 1 392.467 1.564 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)c(C)[nH]1 ZINC001571316112 946566988 /nfs/dbraw/zinc/56/69/88/946566988.db2.gz UJYPAEUSOZQAMU-QGZVFWFLSA-N 0 1 392.467 1.996 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)Cc3cccnc3C)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316168 946568108 /nfs/dbraw/zinc/56/81/08/946568108.db2.gz VJJMATJGJHPEHW-SGTLLEGYSA-N 0 1 392.467 1.197 20 0 GDADMN Cc1cc(C)nc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571316300 946570750 /nfs/dbraw/zinc/57/07/50/946570750.db2.gz YRSQWGRKDBVWAN-OAHLLOKOSA-N 0 1 392.467 1.981 20 0 GDADMN Cc1ccncc1CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571316644 946584072 /nfs/dbraw/zinc/58/40/72/946584072.db2.gz JEVCFRAJKAYGMS-KRWDZBQOSA-N 0 1 392.467 1.279 20 0 GDADMN Cn1ccc(C(=O)N2CCC[C@]3(CCN(c4ccncc4-c4nn[nH]n4)C3)C2)c1 ZINC001571316988 946595015 /nfs/dbraw/zinc/59/50/15/946595015.db2.gz RHUCEZRKLDLALL-HXUWFJFHSA-N 0 1 392.467 1.733 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317436 946609151 /nfs/dbraw/zinc/60/91/51/946609151.db2.gz HNXFUXMZZLNZCR-RYUDHWBXSA-N 0 1 392.485 1.160 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317436 946609156 /nfs/dbraw/zinc/60/91/56/946609156.db2.gz HNXFUXMZZLNZCR-RYUDHWBXSA-N 0 1 392.485 1.160 20 0 GDADMN CC(C)Cn1ncnc1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000824284668 946644864 /nfs/dbraw/zinc/64/48/64/946644864.db2.gz LZZPIJNOFVTVRT-UHFFFAOYSA-N 0 1 398.475 1.302 20 0 GDADMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824412691 946692242 /nfs/dbraw/zinc/69/22/42/946692242.db2.gz DTFKEDWTAIALSH-CQSZACIVSA-N 0 1 386.481 1.666 20 0 GDADMN C[C@H](NCC(=O)NCCOc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562361 946802333 /nfs/dbraw/zinc/80/23/33/946802333.db2.gz GGDHXGCJCFXLRZ-ZDUSSCGKSA-N 0 1 384.415 1.852 20 0 GDADMN CC1(C)CN(C(=O)C2CC2)CCN1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824807635 946939816 /nfs/dbraw/zinc/93/98/16/946939816.db2.gz KHJGMMDCIZIFKX-UHFFFAOYSA-N 0 1 384.484 1.968 20 0 GDADMN CC1CC[NH+](CCc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)CC1 ZINC000824955896 947004418 /nfs/dbraw/zinc/00/44/18/947004418.db2.gz PCZVLGLMRBQSEG-UHFFFAOYSA-N 0 1 395.471 1.371 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000327045021 971360121 /nfs/dbraw/zinc/36/01/21/971360121.db2.gz XNHUPVUHOLIZGN-CHWSQXEVSA-N 0 1 388.873 1.952 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001573593183 947364865 /nfs/dbraw/zinc/36/48/65/947364865.db2.gz IRNVTBWXFWVDGN-AAEUAGOBSA-N 0 1 382.428 1.124 20 0 GDADMN CN(CCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000825946349 947381816 /nfs/dbraw/zinc/38/18/16/947381816.db2.gz UICBAMFILGOOGD-LJQANCHMSA-N 0 1 392.463 1.978 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(F)F ZINC001573597944 947438895 /nfs/dbraw/zinc/43/88/95/947438895.db2.gz PNAAPXMDNXEPSE-ZJUUUORDSA-N 0 1 388.444 1.128 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(F)F ZINC001573597944 947438899 /nfs/dbraw/zinc/43/88/99/947438899.db2.gz PNAAPXMDNXEPSE-ZJUUUORDSA-N 0 1 388.444 1.128 20 0 GDADMN C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(F)F ZINC001573602918 947474031 /nfs/dbraw/zinc/47/40/31/947474031.db2.gz BNRWJWVMPFCJGY-JTQLQIEISA-N 0 1 388.444 1.130 20 0 GDADMN C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(F)F ZINC001573602918 947474040 /nfs/dbraw/zinc/47/40/40/947474040.db2.gz BNRWJWVMPFCJGY-JTQLQIEISA-N 0 1 388.444 1.130 20 0 GDADMN C[C@@H](C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573603395 947484641 /nfs/dbraw/zinc/48/46/41/947484641.db2.gz GBDGSVKEYVQSDY-LLVKDONJSA-N 0 1 387.394 1.636 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573614140 947578725 /nfs/dbraw/zinc/57/87/25/947578725.db2.gz CFQHZNIJVZPXCK-MNOVXSKESA-N 0 1 380.403 1.020 20 0 GDADMN C[C@@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573614146 947579054 /nfs/dbraw/zinc/57/90/54/947579054.db2.gz CJDTUUSVVSLDKR-BFUOFWGJSA-N 0 1 381.440 1.731 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573614390 947582655 /nfs/dbraw/zinc/58/26/55/947582655.db2.gz DVNYBJYDJPLLCF-QWRGUYRKSA-N 0 1 383.378 1.745 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573628319 947754041 /nfs/dbraw/zinc/75/40/41/947754041.db2.gz KTBVCJGSJNKIAM-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573368307 947766948 /nfs/dbraw/zinc/76/69/48/947766948.db2.gz MMCSRLKHAAAUJJ-YVEFUNNKSA-N 0 1 388.447 1.702 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573369861 947777780 /nfs/dbraw/zinc/77/77/80/947777780.db2.gz YMHFRBWJSUBDGX-YPMHNXCESA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001573369861 947777786 /nfs/dbraw/zinc/77/77/86/947777786.db2.gz YMHFRBWJSUBDGX-YPMHNXCESA-N 0 1 376.486 1.767 20 0 GDADMN C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccn1 ZINC001573637663 947820370 /nfs/dbraw/zinc/82/03/70/947820370.db2.gz MPOLHMQNVNKXEA-HNNXBMFYSA-N 0 1 380.456 1.359 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573639670 947846778 /nfs/dbraw/zinc/84/67/78/947846778.db2.gz AYKREOCGCQAQHY-JOYOIKCWSA-N 0 1 386.353 1.895 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573378292 947854192 /nfs/dbraw/zinc/85/41/92/947854192.db2.gz YHVQGVZDAHOAFW-KGLIPLIRSA-N 0 1 386.460 1.137 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573645839 947871430 /nfs/dbraw/zinc/87/14/30/947871430.db2.gz BTLJNXQBHUTSHX-RYUDHWBXSA-N 0 1 382.403 1.034 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573383172 947890975 /nfs/dbraw/zinc/89/09/75/947890975.db2.gz OPANIPGQPSYPIS-HNNXBMFYSA-N 0 1 388.447 1.703 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573384418 947901510 /nfs/dbraw/zinc/90/15/10/947901510.db2.gz MPBKFPTYEGSIJF-SHTZXODSSA-N 0 1 385.472 1.530 20 0 GDADMN Cc1ccnc(NCCCCN2CCN(c3ncccn3)CC2)c1-c1nn[nH]n1 ZINC000826313352 947909484 /nfs/dbraw/zinc/90/94/84/947909484.db2.gz CQUMJVVHYHEBBQ-UHFFFAOYSA-N 0 1 394.487 1.374 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651137 947917199 /nfs/dbraw/zinc/91/71/99/947917199.db2.gz IQDKGCXNYJDCQG-QFSBIZTOSA-N 0 1 391.426 1.838 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343462 947990674 /nfs/dbraw/zinc/99/06/74/947990674.db2.gz BMWYJJZZEMGENX-OAHLLOKOSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343462 947990681 /nfs/dbraw/zinc/99/06/81/947990681.db2.gz BMWYJJZZEMGENX-OAHLLOKOSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343462 947990686 /nfs/dbraw/zinc/99/06/86/947990686.db2.gz BMWYJJZZEMGENX-OAHLLOKOSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343462 947990693 /nfs/dbraw/zinc/99/06/93/947990693.db2.gz BMWYJJZZEMGENX-OAHLLOKOSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826346806 948046239 /nfs/dbraw/zinc/04/62/39/948046239.db2.gz WFLMTTLTKRZINY-BBRMVZONSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826346806 948046250 /nfs/dbraw/zinc/04/62/50/948046250.db2.gz WFLMTTLTKRZINY-BBRMVZONSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826346806 948046257 /nfs/dbraw/zinc/04/62/57/948046257.db2.gz WFLMTTLTKRZINY-BBRMVZONSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826346806 948046264 /nfs/dbraw/zinc/04/62/64/948046264.db2.gz WFLMTTLTKRZINY-BBRMVZONSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347196 948051869 /nfs/dbraw/zinc/05/18/69/948051869.db2.gz IHLUPZQFEIWUCR-INIZCTEOSA-N 0 1 395.467 1.734 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347196 948051877 /nfs/dbraw/zinc/05/18/77/948051877.db2.gz IHLUPZQFEIWUCR-INIZCTEOSA-N 0 1 395.467 1.734 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347196 948051884 /nfs/dbraw/zinc/05/18/84/948051884.db2.gz IHLUPZQFEIWUCR-INIZCTEOSA-N 0 1 395.467 1.734 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347196 948051894 /nfs/dbraw/zinc/05/18/94/948051894.db2.gz IHLUPZQFEIWUCR-INIZCTEOSA-N 0 1 395.467 1.734 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573665267 948070052 /nfs/dbraw/zinc/07/00/52/948070052.db2.gz JZRYKPBKXIRMOH-RHSMWYFYSA-N 0 1 380.456 1.405 20 0 GDADMN Cc1onc(CC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1-c1nn[n-]n1 ZINC000826349054 948088145 /nfs/dbraw/zinc/08/81/45/948088145.db2.gz RIBFQFDIJSERQW-UHFFFAOYSA-N 0 1 397.439 1.301 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573666866 948091647 /nfs/dbraw/zinc/09/16/47/948091647.db2.gz WXWPWNNZQQBSOV-QWHCGFSZSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)n1cccc1 ZINC001573681105 948195640 /nfs/dbraw/zinc/19/56/40/948195640.db2.gz ULALULBOTZOTCS-STQMWFEESA-N 0 1 381.444 1.050 20 0 GDADMN C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573681641 948209546 /nfs/dbraw/zinc/20/95/46/948209546.db2.gz YHQDSKYMWXAUSK-GJZGRUSLSA-N 0 1 386.504 1.467 20 0 GDADMN C[C@@H](C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)n1cccc1 ZINC001573691174 948236274 /nfs/dbraw/zinc/23/62/74/948236274.db2.gz DLUGTBMRZVEWGG-ZDUSSCGKSA-N 0 1 383.431 1.807 20 0 GDADMN O=C(N[C@H]1CCCOCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826431342 948283113 /nfs/dbraw/zinc/28/31/13/948283113.db2.gz YVIMSUREWQDUMZ-SFHVURJKSA-N 0 1 399.499 1.653 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H](C)C(=O)[O-] ZINC001602757486 971472436 /nfs/dbraw/zinc/47/24/36/971472436.db2.gz ISKYHGQMXHIHAA-VQIMIIECSA-N 0 1 377.485 1.189 20 0 GDADMN CC(=O)NCCN(C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](C)C(=O)[O-] ZINC001602757486 971472444 /nfs/dbraw/zinc/47/24/44/971472444.db2.gz ISKYHGQMXHIHAA-VQIMIIECSA-N 0 1 377.485 1.189 20 0 GDADMN CC(=O)NCCN(C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](C)C(=O)[O-] ZINC001602757486 971472448 /nfs/dbraw/zinc/47/24/48/971472448.db2.gz ISKYHGQMXHIHAA-VQIMIIECSA-N 0 1 377.485 1.189 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573704081 948364826 /nfs/dbraw/zinc/36/48/26/948364826.db2.gz OTXDLCSUGQIELY-NWDGAFQWSA-N 0 1 384.469 1.607 20 0 GDADMN O=C1[C@H](NCc2cnc3ccccn23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476139 948378079 /nfs/dbraw/zinc/37/80/79/948378079.db2.gz BMHAKYRGGSFYHH-QGZVFWFLSA-N 0 1 388.435 1.800 20 0 GDADMN O[C@H](CN1CCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826502335 948419373 /nfs/dbraw/zinc/41/93/73/948419373.db2.gz BBKPOCWXEASXDR-MRXNPFEDSA-N 0 1 390.451 1.370 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573714297 948470667 /nfs/dbraw/zinc/47/06/67/948470667.db2.gz FLLWRIZKYXMACP-UONOGXRCSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)[C@H]1CCCO1 ZINC001573719754 948528453 /nfs/dbraw/zinc/52/84/53/948528453.db2.gz OYDBBHKNZYPRLW-RKDXNWHRSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573740024 948628011 /nfs/dbraw/zinc/62/80/11/948628011.db2.gz JMUDFFLJEKIUFV-LIRZEXBASA-N 0 1 392.467 1.546 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573747419 948690751 /nfs/dbraw/zinc/69/07/51/948690751.db2.gz UKMJQRCJSCSGPL-DCAQKATOSA-N 0 1 383.378 1.721 20 0 GDADMN CC(F)(F)C1(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575222284 948757399 /nfs/dbraw/zinc/75/73/99/948757399.db2.gz HTMFZQHMRXRUDX-UHFFFAOYSA-N 0 1 392.414 1.353 20 0 GDADMN CC(C)c1cccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574418533 948778748 /nfs/dbraw/zinc/77/87/48/948778748.db2.gz XUPOSCLXAFSPAQ-UHFFFAOYSA-N 0 1 380.456 1.989 20 0 GDADMN CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001574080107 948781116 /nfs/dbraw/zinc/78/11/16/948781116.db2.gz HALNCQZMIVMNSL-MRXNPFEDSA-N 0 1 390.467 1.248 20 0 GDADMN CC(F)(F)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575224501 948788170 /nfs/dbraw/zinc/78/81/70/948788170.db2.gz WUVAQTOQPDFYLE-PHIMTYICSA-N 0 1 390.398 1.272 20 0 GDADMN CC(F)(F)CC(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575226511 948816257 /nfs/dbraw/zinc/81/62/57/948816257.db2.gz MXFPYMFEHQPQGO-UHFFFAOYSA-N 0 1 380.403 1.165 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)CC1 ZINC001575226631 948823344 /nfs/dbraw/zinc/82/33/44/948823344.db2.gz OMXKSVRVDZQSON-PJXYFTJBSA-N 0 1 375.383 1.248 20 0 GDADMN CC(C)c1cnc(CNC2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)o1 ZINC001574424310 948847998 /nfs/dbraw/zinc/84/79/98/948847998.db2.gz JTNQAACPDZQFAX-UHFFFAOYSA-N 0 1 384.444 1.701 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574684057 948854318 /nfs/dbraw/zinc/85/43/18/948854318.db2.gz APTZRHBIPSADLT-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574684057 948854331 /nfs/dbraw/zinc/85/43/31/948854331.db2.gz APTZRHBIPSADLT-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574684057 948854352 /nfs/dbraw/zinc/85/43/52/948854352.db2.gz APTZRHBIPSADLT-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574684057 948854368 /nfs/dbraw/zinc/85/43/68/948854368.db2.gz APTZRHBIPSADLT-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)c1nc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574424582 948856355 /nfs/dbraw/zinc/85/63/55/948856355.db2.gz QWGMSOVLJTWGIC-VHSXEESVSA-N 0 1 387.473 1.277 20 0 GDADMN C[C@H](CNC(=O)CCCc1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574918761 948859465 /nfs/dbraw/zinc/85/94/65/948859465.db2.gz PWAQQYTYXYDHJG-AWEZNQCLSA-N 0 1 380.456 1.266 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001574684672 948880209 /nfs/dbraw/zinc/88/02/09/948880209.db2.gz KOAYXEUPAMEJEP-CLAHSXSESA-N 0 1 385.881 1.710 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cc1ccon1 ZINC001574684966 948897447 /nfs/dbraw/zinc/89/74/47/948897447.db2.gz PWDMHDYLFNHIFA-SSDOTTSWSA-N 0 1 382.837 1.514 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cncn1C ZINC001574685424 948908800 /nfs/dbraw/zinc/90/88/00/948908800.db2.gz VWDFTRVFKNDYHT-SSDOTTSWSA-N 0 1 381.853 1.331 20 0 GDADMN CC(F)(F)CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001575235545 948922347 /nfs/dbraw/zinc/92/23/47/948922347.db2.gz WBFZTSBECLKANZ-LBPRGKRZSA-N 0 1 388.382 1.393 20 0 GDADMN CC(F)(F)CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001575235542 948923726 /nfs/dbraw/zinc/92/37/26/948923726.db2.gz WBFZTSBECLKANZ-GFCCVEGCSA-N 0 1 388.382 1.393 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CC1 ZINC001573765788 948924593 /nfs/dbraw/zinc/92/45/93/948924593.db2.gz HBSYLLPXWMYIPK-OLZOCXBDSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H](CNC(=O)CCn1ccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574923096 948936484 /nfs/dbraw/zinc/93/64/84/948936484.db2.gz DHGNDUYTAFIBFM-QMMMGPOBSA-N 0 1 381.853 1.180 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001575237992 948950875 /nfs/dbraw/zinc/95/08/75/948950875.db2.gz KJTOCUKTRPHGKW-QWRGUYRKSA-N 0 1 392.414 1.353 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091046 949000716 /nfs/dbraw/zinc/00/07/16/949000716.db2.gz MPRQTWPXDFZEJB-UONOGXRCSA-N 0 1 384.488 1.672 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574091928 949037955 /nfs/dbraw/zinc/03/79/55/949037955.db2.gz PXBDCXXHQSHSFZ-ZIAGYGMSSA-N 0 1 385.472 1.001 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)C1CCOCC1 ZINC001573775659 949050640 /nfs/dbraw/zinc/05/06/40/949050640.db2.gz ZPYOIKKQQRYMMS-UHFFFAOYSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CNC(=O)COC(C)(C)C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574928296 949055026 /nfs/dbraw/zinc/05/50/26/949055026.db2.gz OMJRIBBPYCNHNH-QMMMGPOBSA-N 0 1 387.897 1.956 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573779893 949077146 /nfs/dbraw/zinc/07/71/46/949077146.db2.gz OVESNOXYMBVTEH-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2ccncc2-c2nn[nH]n2)CCO1 ZINC001574092890 949082476 /nfs/dbraw/zinc/08/24/76/949082476.db2.gz QBDPPALXFVRQDS-RHSMWYFYSA-N 0 1 387.488 1.395 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C(F)F ZINC001573780232 949085127 /nfs/dbraw/zinc/08/51/27/949085127.db2.gz TWBQLYRTVQRVFT-WLLOZRIZSA-N 0 1 377.399 1.351 20 0 GDADMN CC(C)c1nocc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574442026 949089353 /nfs/dbraw/zinc/08/93/53/949089353.db2.gz JWNOFNCJDGWFRG-NSHDSACASA-N 0 1 383.416 1.119 20 0 GDADMN C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575504952 949096980 /nfs/dbraw/zinc/09/69/80/949096980.db2.gz ZSHMHZCPAUNVCF-STQMWFEESA-N 0 1 382.428 1.065 20 0 GDADMN CC(C)(C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573781063 949100535 /nfs/dbraw/zinc/10/05/35/949100535.db2.gz AUNXCURNPPAXAI-UHFFFAOYSA-N 0 1 391.479 1.788 20 0 GDADMN CC(C)(C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573781760 949112136 /nfs/dbraw/zinc/11/21/36/949112136.db2.gz MZPRXYQHOKVRFD-UHFFFAOYSA-N 0 1 391.479 1.788 20 0 GDADMN CC(C)c1ocnc1C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001574446379 949127079 /nfs/dbraw/zinc/12/70/79/949127079.db2.gz NTESPWRAIFCVAH-FZMZJTMJSA-N 0 1 382.428 1.368 20 0 GDADMN CC(C)c1occc1C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446366 949128379 /nfs/dbraw/zinc/12/83/79/949128379.db2.gz NNLSJEUXKXSPTO-UHFFFAOYSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602793013 971551736 /nfs/dbraw/zinc/55/17/36/971551736.db2.gz MNXWOACWXUQYIF-PMPSAXMXSA-N 0 1 376.453 1.908 20 0 GDADMN C[C@@H](NC(=O)C1(c2ccccc2)CCC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251668 949145279 /nfs/dbraw/zinc/14/52/79/949145279.db2.gz BVZNWDNJLZGTTP-ZIAGYGMSSA-N 0 1 392.467 1.506 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O)C1CC1 ZINC001573787090 949163083 /nfs/dbraw/zinc/16/30/83/949163083.db2.gz NSVGMHCAPYAYBU-RKDXNWHRSA-N 0 1 397.892 1.079 20 0 GDADMN C[C@@H](NC(=O)C(C1CCC1)C1CCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575253522 949189222 /nfs/dbraw/zinc/18/92/22/949189222.db2.gz UOXKBIPIWYCGIK-NWDGAFQWSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@@H](CNC(=O)COc1cccnc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574935081 949191089 /nfs/dbraw/zinc/19/10/89/949191089.db2.gz YMNJTRWIDNCKLZ-LBPRGKRZSA-N 0 1 387.469 1.339 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698912 949219248 /nfs/dbraw/zinc/21/92/48/949219248.db2.gz PYFRZUHGXLZWLE-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698912 949219268 /nfs/dbraw/zinc/21/92/68/949219268.db2.gz PYFRZUHGXLZWLE-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574699435 949240889 /nfs/dbraw/zinc/24/08/89/949240889.db2.gz UWBWXFJNHPGVJL-RYUDHWBXSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574699435 949240902 /nfs/dbraw/zinc/24/09/02/949240902.db2.gz UWBWXFJNHPGVJL-RYUDHWBXSA-N 0 1 388.501 1.402 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001573792709 949263091 /nfs/dbraw/zinc/26/30/91/949263091.db2.gz UBUWLENDAZIRKC-ZDUSSCGKSA-N 0 1 382.428 1.719 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@]1(F)CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574701522 949265083 /nfs/dbraw/zinc/26/50/83/949265083.db2.gz BIVWSVXIRLTLMF-PIGZYNQJSA-N 0 1 380.399 1.071 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573792791 949269686 /nfs/dbraw/zinc/26/96/86/949269686.db2.gz VKKAYOZJJDXZOF-ZIAGYGMSSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575257313 949274492 /nfs/dbraw/zinc/27/44/92/949274492.db2.gz ZRLCOUUMIQRTOE-UONOGXRCSA-N 0 1 377.452 1.721 20 0 GDADMN C[C@H](c1ncccn1)N1CC[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522543 949279920 /nfs/dbraw/zinc/27/99/20/949279920.db2.gz MOGKVSVGVKZOTB-CHWSQXEVSA-N 0 1 381.444 1.188 20 0 GDADMN CC1=C(C)C[C@@H](C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575860490 949301680 /nfs/dbraw/zinc/30/16/80/949301680.db2.gz JHJNEOYJURTNAB-GJZGRUSLSA-N 0 1 382.472 1.736 20 0 GDADMN CC(C)n1ccc(CN[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)n1 ZINC001574459891 949368679 /nfs/dbraw/zinc/36/86/79/949368679.db2.gz OFFOPRSXSNWAML-MLGOLLRUSA-N 0 1 383.460 1.223 20 0 GDADMN C[C@@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260894 949369105 /nfs/dbraw/zinc/36/91/05/949369105.db2.gz YJCMINACZQMWNK-CHWSQXEVSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263349 949393395 /nfs/dbraw/zinc/39/33/95/949393395.db2.gz GHCCZYMGEWJDLU-NEPJUHHUSA-N 0 1 376.486 1.291 20 0 GDADMN CC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573801677 949403206 /nfs/dbraw/zinc/40/32/06/949403206.db2.gz BRDDRNGDZGTIOT-SFHVURJKSA-N 0 1 376.436 1.105 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574465046 949424329 /nfs/dbraw/zinc/42/43/29/949424329.db2.gz UQTPRBHJAIMCBD-BETUJISGSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)c1cnn[nH]1 ZINC001576155972 949427569 /nfs/dbraw/zinc/42/75/69/949427569.db2.gz KUGYABTZFGAIKB-GTNSWQLSSA-N 0 1 382.432 1.171 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465171 949432433 /nfs/dbraw/zinc/43/24/33/949432433.db2.gz RDJHTUZKUBQDPD-CYBMUJFWSA-N 0 1 381.444 1.035 20 0 GDADMN C[C@@H](CNC(=O)Cc1[nH]nc2ccccc21)N(C)c1ncccc1-c1nn[nH]n1 ZINC001574947077 949442644 /nfs/dbraw/zinc/44/26/44/949442644.db2.gz YXXYGLFTOYTVFC-LBPRGKRZSA-N 0 1 391.439 1.322 20 0 GDADMN C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575265705 949452003 /nfs/dbraw/zinc/45/20/03/949452003.db2.gz ADNKFFMFLXEIDM-UWVGGRQHSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574708091 949483432 /nfs/dbraw/zinc/48/34/32/949483432.db2.gz SSEDFLVHHKEFFG-FZMZJTMJSA-N 0 1 376.440 1.144 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575871055 949506991 /nfs/dbraw/zinc/50/69/91/949506991.db2.gz YFJRKRLAMMROQM-NXEZZACHSA-N 0 1 378.387 1.176 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001576159050 949510023 /nfs/dbraw/zinc/51/00/23/949510023.db2.gz WBUNAUZGZSFCDA-UONOGXRCSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2=CCCC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163865 949540156 /nfs/dbraw/zinc/54/01/56/949540156.db2.gz DENMVOLCLXMJIF-UKRRQHHQSA-N 0 1 382.472 1.618 20 0 GDADMN C[C@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576164554 949555103 /nfs/dbraw/zinc/55/51/03/949555103.db2.gz HEGCEELPLOWGJF-SUMWQHHRSA-N 0 1 383.456 1.417 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575269647 949558585 /nfs/dbraw/zinc/55/85/85/949558585.db2.gz WCDKORGHCLQOOT-BDAKNGLRSA-N 0 1 384.366 1.116 20 0 GDADMN C[C@H](NC(=O)CCCc1cccs1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270501 949590880 /nfs/dbraw/zinc/59/08/80/949590880.db2.gz CZPBZIMCTZSGNA-RYUDHWBXSA-N 0 1 386.485 1.468 20 0 GDADMN C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576167538 949610222 /nfs/dbraw/zinc/61/02/22/949610222.db2.gz QDSUVLCXGKVRRP-HOCLYGCPSA-N 0 1 392.467 1.416 20 0 GDADMN C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574957651 949624425 /nfs/dbraw/zinc/62/44/25/949624425.db2.gz DWHGLZGUERTISH-UONOGXRCSA-N 0 1 380.456 1.122 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574714495 949628050 /nfs/dbraw/zinc/62/80/50/949628050.db2.gz DRFLLIBEQBOPKF-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574715169 949642382 /nfs/dbraw/zinc/64/23/82/949642382.db2.gz HHLXMQUYLIPKRM-DTWKUNHWSA-N 0 1 385.881 1.805 20 0 GDADMN CC1(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCCCCC1 ZINC001575547829 949645027 /nfs/dbraw/zinc/64/50/27/949645027.db2.gz MQLLRSHYLZJWAE-AWEZNQCLSA-N 0 1 384.488 1.842 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574957989 949647616 /nfs/dbraw/zinc/64/76/16/949647616.db2.gz KNGMHTZATZWYJQ-DUUDNCRHSA-N 0 1 388.447 1.415 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccco1 ZINC001573815177 949649722 /nfs/dbraw/zinc/64/97/22/949649722.db2.gz GVYZQQCYSLEECV-ZDUSSCGKSA-N 0 1 384.444 1.247 20 0 GDADMN C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576168937 949652440 /nfs/dbraw/zinc/65/24/40/949652440.db2.gz WTDCELJUYSQUKK-XJKSGUPXSA-N 0 1 385.472 1.028 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574477460 949657229 /nfs/dbraw/zinc/65/72/29/949657229.db2.gz RHJVGMDTWOKMIS-ZIAGYGMSSA-N 0 1 389.504 1.377 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715752 949665219 /nfs/dbraw/zinc/66/52/19/949665219.db2.gz GEOQZQFZYKXFET-BBRMVZONSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@H](CN(C)C(=O)CC1OCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715956 949673492 /nfs/dbraw/zinc/67/34/92/949673492.db2.gz GOCDWJVWHWQCEC-LBPRGKRZSA-N 0 1 392.435 1.095 20 0 GDADMN C[C@H](CN(C)C(=O)CC1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574715985 949673663 /nfs/dbraw/zinc/67/36/63/949673663.db2.gz GTQRGRBGLNPBHX-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)CC1CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574715985 949673673 /nfs/dbraw/zinc/67/36/73/949673673.db2.gz GTQRGRBGLNPBHX-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCC12CC2 ZINC001573817287 949698309 /nfs/dbraw/zinc/69/83/09/949698309.db2.gz ZETISFZLXPEKOG-CHWSQXEVSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575880914 949708734 /nfs/dbraw/zinc/70/87/34/949708734.db2.gz VVTQOVQKDXYOFC-DOMZBBRYSA-N 0 1 385.497 1.968 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575880914 949708761 /nfs/dbraw/zinc/70/87/61/949708761.db2.gz VVTQOVQKDXYOFC-DOMZBBRYSA-N 0 1 385.497 1.968 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574478804 949722666 /nfs/dbraw/zinc/72/26/66/949722666.db2.gz ASULXJLALYQKGL-KGLIPLIRSA-N 0 1 381.444 1.147 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573818213 949722748 /nfs/dbraw/zinc/72/27/48/949722748.db2.gz IIMDBKNVGWAFNT-BBRMVZONSA-N 0 1 387.488 1.586 20 0 GDADMN CC1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOCC1 ZINC001575558083 949730095 /nfs/dbraw/zinc/73/00/95/949730095.db2.gz OJEKKYFHZKBCRH-AWEZNQCLSA-N 0 1 390.513 1.729 20 0 GDADMN CC1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOCC1 ZINC001575558083 949730150 /nfs/dbraw/zinc/73/01/50/949730150.db2.gz OJEKKYFHZKBCRH-AWEZNQCLSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576170771 949738724 /nfs/dbraw/zinc/73/87/24/949738724.db2.gz MVMKWVUJTYTIQG-HIFRSBDPSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001574479661 949740362 /nfs/dbraw/zinc/74/03/62/949740362.db2.gz FAZGGEDPLFPXNG-AWEZNQCLSA-N 0 1 380.456 1.539 20 0 GDADMN C[C@H]1CCCN(C(=O)CC2CCCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170895 949744081 /nfs/dbraw/zinc/74/40/81/949744081.db2.gz OHLNPERTZVEFMP-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001573819778 949757608 /nfs/dbraw/zinc/75/76/08/949757608.db2.gz VBAUPPKFNSWWSN-UPJWGTAASA-N 0 1 386.504 1.704 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(C)CCOCC1 ZINC001575559624 949761266 /nfs/dbraw/zinc/76/12/66/949761266.db2.gz WWDPSYIRHMFVJH-HNNXBMFYSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574480934 949765575 /nfs/dbraw/zinc/76/55/75/949765575.db2.gz LOVLQSKHCVUJEQ-OLZOCXBDSA-N 0 1 382.428 1.481 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171510 949768300 /nfs/dbraw/zinc/76/83/00/949768300.db2.gz RNKQKZQFYIPRBD-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](NC(=O)CCc1ccon1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575278837 949775265 /nfs/dbraw/zinc/77/52/65/949775265.db2.gz WBZBYCACYPSZKK-CYBMUJFWSA-N 0 1 381.440 1.424 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)CCCC1 ZINC001575560143 949780256 /nfs/dbraw/zinc/78/02/56/949780256.db2.gz KYENMQODQUMXST-IHRRRGAJSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001574965261 949795134 /nfs/dbraw/zinc/79/51/34/949795134.db2.gz DWHWSVJHWRHCAB-NSHDSACASA-N 0 1 383.460 1.182 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574965695 949812694 /nfs/dbraw/zinc/81/26/94/949812694.db2.gz JMRQRFALEBKDIM-YUELXQCFSA-N 0 1 378.440 1.047 20 0 GDADMN CC(C)(C)[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)c1cnn[nH]1 ZINC001573823317 949823095 /nfs/dbraw/zinc/82/30/95/949823095.db2.gz USYQELCPRJFLBX-LLVKDONJSA-N 0 1 390.839 1.290 20 0 GDADMN CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)(C1)C2 ZINC001573824539 949850294 /nfs/dbraw/zinc/85/02/94/949850294.db2.gz GTALIXWBRBWSPE-RMEHTXHKSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574484002 949855573 /nfs/dbraw/zinc/85/55/73/949855573.db2.gz BWSARRPFISOZGG-MNOVXSKESA-N 0 1 383.378 1.675 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001574142198 949867696 /nfs/dbraw/zinc/86/76/96/949867696.db2.gz XEFOBXIKOTYCNK-BMGDILEWSA-N 0 1 386.500 1.600 20 0 GDADMN C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001574484214 949869513 /nfs/dbraw/zinc/86/95/13/949869513.db2.gz FOYDMKKNTJGWNV-ZDUSSCGKSA-N 0 1 382.428 1.482 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574484320 949874114 /nfs/dbraw/zinc/87/41/14/949874114.db2.gz ZBBRBXLBWAZJFN-ZFWWWQNUSA-N 0 1 378.440 1.285 20 0 GDADMN CC(C)C[C@H](C)OCCC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574143380 949890723 /nfs/dbraw/zinc/89/07/23/949890723.db2.gz GVJDSMHWKWZXSY-AWEZNQCLSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)CC2(C)C)CCOC1 ZINC001575569103 949906496 /nfs/dbraw/zinc/90/64/96/949906496.db2.gz GFHFUOOSTXJTCJ-DNVCBOLYSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2cccnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180521 949962387 /nfs/dbraw/zinc/96/23/87/949962387.db2.gz DWYNVZKIRJIJEX-GOEBONIOSA-N 0 1 392.467 1.218 20 0 GDADMN CC1(C(=O)NC[C@@H](CO)Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCCC1 ZINC001575572650 949982425 /nfs/dbraw/zinc/98/24/25/949982425.db2.gz IHMJLWIKJLDFTB-QMMMGPOBSA-N 0 1 385.881 1.446 20 0 GDADMN C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182048 950034326 /nfs/dbraw/zinc/03/43/26/950034326.db2.gz KRSNWDUNFWDPEE-STQMWFEESA-N 0 1 388.451 1.115 20 0 GDADMN C[C@@H](CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574491616 950040085 /nfs/dbraw/zinc/04/00/85/950040085.db2.gz DYUVGNIZCYMWBQ-WHXUTIOJSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001574492289 950070582 /nfs/dbraw/zinc/07/05/82/950070582.db2.gz ABEHDELDMNTXPY-IONNQARKSA-N 0 1 385.881 1.302 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ccon1 ZINC001574151349 950071054 /nfs/dbraw/zinc/07/10/54/950071054.db2.gz PQDGYIIUPQSTSK-ZDUSSCGKSA-N 0 1 389.485 1.779 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ccon1 ZINC001574151349 950071071 /nfs/dbraw/zinc/07/10/71/950071071.db2.gz PQDGYIIUPQSTSK-ZDUSSCGKSA-N 0 1 389.485 1.779 20 0 GDADMN C[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182892 950072040 /nfs/dbraw/zinc/07/20/40/950072040.db2.gz NWUQBZJGFIXTQT-DZGCQCFKSA-N 0 1 385.472 1.007 20 0 GDADMN CC1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCC(F)(F)CC1 ZINC001575581998 950093265 /nfs/dbraw/zinc/09/32/65/950093265.db2.gz BDDZVSYNIATSRZ-UHFFFAOYSA-N 0 1 392.414 1.355 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cc(Cl)ccc1F ZINC001574976969 950108521 /nfs/dbraw/zinc/10/85/21/950108521.db2.gz DJYQNIOSAMCNDP-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN NC(=O)CSc1ccccc1NC(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262527492 950138220 /nfs/dbraw/zinc/13/82/20/950138220.db2.gz OXQCUBQQHFBDFE-YUELXQCFSA-N 0 1 391.493 1.920 20 0 GDADMN CN1C(=O)c2ccc(NC(=O)C[N@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cc2C1=O ZINC000262560856 950141918 /nfs/dbraw/zinc/14/19/18/950141918.db2.gz WFIMDXMDLHWYNG-XZJROXQQSA-N 0 1 385.420 1.569 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574735053 950160522 /nfs/dbraw/zinc/16/05/22/950160522.db2.gz YGXURULNMWAXBB-FEUBFEEPSA-N 0 1 388.497 1.288 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574735053 950160540 /nfs/dbraw/zinc/16/05/40/950160540.db2.gz YGXURULNMWAXBB-FEUBFEEPSA-N 0 1 388.497 1.288 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575584049 950161682 /nfs/dbraw/zinc/16/16/82/950161682.db2.gz ORQUSAZNNJAWGA-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575584049 950161693 /nfs/dbraw/zinc/16/16/93/950161693.db2.gz ORQUSAZNNJAWGA-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575584049 950161698 /nfs/dbraw/zinc/16/16/98/950161698.db2.gz ORQUSAZNNJAWGA-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575584049 950161707 /nfs/dbraw/zinc/16/17/07/950161707.db2.gz ORQUSAZNNJAWGA-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCC(C)(F)F ZINC001574155443 950192936 /nfs/dbraw/zinc/19/29/36/950192936.db2.gz LGTHONCOYSBZTK-NSHDSACASA-N 0 1 382.419 1.457 20 0 GDADMN CC(C)c1noc([C@H](C)NC[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574983004 950196481 /nfs/dbraw/zinc/19/64/81/950196481.db2.gz ITSSYQNJBOLBCS-MNOVXSKESA-N 0 1 387.448 1.418 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001574155792 950209856 /nfs/dbraw/zinc/20/98/56/950209856.db2.gz RQOGSCDOPBBRAH-LLVKDONJSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@@H]1[C@H](NCc2c(F)cccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901028 950214163 /nfs/dbraw/zinc/21/41/63/950214163.db2.gz KAQZEMUSDHKJDV-MEBBXXQBSA-N 0 1 387.394 1.866 20 0 GDADMN CC1(C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCCCC1 ZINC001575587259 950237299 /nfs/dbraw/zinc/23/72/99/950237299.db2.gz MVINSCVAEHYUGQ-UHFFFAOYSA-N 0 1 384.488 1.960 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573846068 950246681 /nfs/dbraw/zinc/24/66/81/950246681.db2.gz NLWUXILYWFWYRJ-GXTWGEPZSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cncs1 ZINC001574158133 950274686 /nfs/dbraw/zinc/27/46/86/950274686.db2.gz ONNJXIKGVSCCIN-LBPRGKRZSA-N 0 1 386.485 1.326 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cncs1 ZINC001575904718 950283233 /nfs/dbraw/zinc/28/32/33/950283233.db2.gz AMCGVMLOYFYLTN-KOLCDFICSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cncs1 ZINC001575904718 950283242 /nfs/dbraw/zinc/28/32/42/950283242.db2.gz AMCGVMLOYFYLTN-KOLCDFICSA-N 0 1 375.483 1.778 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccccc1O ZINC001574158803 950293032 /nfs/dbraw/zinc/29/30/32/950293032.db2.gz SVCURPYHMQLCBT-LBPRGKRZSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ncccc1[O-] ZINC001575907154 950324654 /nfs/dbraw/zinc/32/46/54/950324654.db2.gz LWYVFZSJKFYEOB-PWSUYJOCSA-N 0 1 385.453 1.422 20 0 GDADMN CC1(C(=O)NCC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575593993 950328782 /nfs/dbraw/zinc/32/87/82/950328782.db2.gz QUMFUMHVGOSEHS-CQSZACIVSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 ZINC001574501518 950337802 /nfs/dbraw/zinc/33/78/02/950337802.db2.gz FFIYPDDSNIOPJQ-RDTXWAMCSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576194506 950347091 /nfs/dbraw/zinc/34/70/91/950347091.db2.gz ZNFWSZCMLCATHO-NEPJUHHUSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576194506 950347112 /nfs/dbraw/zinc/34/71/12/950347112.db2.gz ZNFWSZCMLCATHO-NEPJUHHUSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)n1ccnc1 ZINC001574502150 950360495 /nfs/dbraw/zinc/36/04/95/950360495.db2.gz JRWNVGDFTUSAGH-GOEBONIOSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574502104 950360985 /nfs/dbraw/zinc/36/09/85/950360985.db2.gz IWLYYXHLAPPTAD-HIFRSBDPSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263310630 950361898 /nfs/dbraw/zinc/36/18/98/950361898.db2.gz HXKLQUINABKYAD-SQNIBIBYSA-N 0 1 388.512 1.949 20 0 GDADMN CC1CC[NH+](CC(=O)N(C)CCCN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001576196726 950370888 /nfs/dbraw/zinc/37/08/88/950370888.db2.gz GMJWYJKCMHFGIQ-UHFFFAOYSA-N 0 1 386.504 1.278 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576197264 950387638 /nfs/dbraw/zinc/38/76/38/950387638.db2.gz MHTIBUMDBYRAMI-ZBFHGGJFSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576197264 950387656 /nfs/dbraw/zinc/38/76/56/950387656.db2.gz MHTIBUMDBYRAMI-ZBFHGGJFSA-N 0 1 384.488 1.397 20 0 GDADMN CC1(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)s3)CCCO2)CCC1 ZINC001575597060 950399072 /nfs/dbraw/zinc/39/90/72/950399072.db2.gz XIEWSEYHBQPNER-CYBMUJFWSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574503033 950401311 /nfs/dbraw/zinc/40/13/11/950401311.db2.gz SKDMEBCMIQPGAR-AWEZNQCLSA-N 0 1 380.456 1.263 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198373 950408978 /nfs/dbraw/zinc/40/89/78/950408978.db2.gz SEOOJIUDMQAIDY-ZBFHGGJFSA-N 0 1 384.488 1.395 20 0 GDADMN CC1CCN(CC(=O)N[C@@H](CNc2ncccc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576202868 950434400 /nfs/dbraw/zinc/43/44/00/950434400.db2.gz DJANVVDORJNJIS-INIZCTEOSA-N 0 1 384.488 1.300 20 0 GDADMN CC(C)CC1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574165251 950440828 /nfs/dbraw/zinc/44/08/28/950440828.db2.gz AQPUDQZWIDPIFR-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CCN(CC(=O)N[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C(C)(C)C)C1 ZINC001576204541 950463151 /nfs/dbraw/zinc/46/31/51/950463151.db2.gz PYJFRFLNKKZSAI-ZFWWWQNUSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@@H](CC(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F)c1ccncc1 ZINC001574508132 950474091 /nfs/dbraw/zinc/47/40/91/950474091.db2.gz JECUGYTYYLOJTB-ZDUSSCGKSA-N 0 1 383.431 1.800 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574752310 950476723 /nfs/dbraw/zinc/47/67/23/950476723.db2.gz AMDMQNQFSSQHQR-ZDUSSCGKSA-N 0 1 392.467 1.530 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(Cl)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753588 950530233 /nfs/dbraw/zinc/53/02/33/950530233.db2.gz PYRNPLOVUYIJDY-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n(C)n1 ZINC001574996998 950533231 /nfs/dbraw/zinc/53/32/31/950533231.db2.gz PONVPHQHRQWRRV-LLVKDONJSA-N 0 1 388.501 1.693 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n(C)n1 ZINC001574996998 950533246 /nfs/dbraw/zinc/53/32/46/950533246.db2.gz PONVPHQHRQWRRV-LLVKDONJSA-N 0 1 388.501 1.693 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753821 950545749 /nfs/dbraw/zinc/54/57/49/950545749.db2.gz SXZJNBKMIGIAQK-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575916855 950550476 /nfs/dbraw/zinc/55/04/76/950550476.db2.gz SSNWBNONICXYNZ-OLZOCXBDSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575916855 950550491 /nfs/dbraw/zinc/55/04/91/950550491.db2.gz SSNWBNONICXYNZ-OLZOCXBDSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574511438 950562124 /nfs/dbraw/zinc/56/21/24/950562124.db2.gz LMFJOCCAXJDZMC-QWHCGFSZSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)on1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574999072 950567716 /nfs/dbraw/zinc/56/77/16/950567716.db2.gz FSEQLGPWCXMIBW-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575616091 950580634 /nfs/dbraw/zinc/58/06/34/950580634.db2.gz LZHVUQRUDWPNIH-GFCCVEGCSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(C)OCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCCC1 ZINC001573869971 950581646 /nfs/dbraw/zinc/58/16/46/950581646.db2.gz STUPJNSGIGJHGG-UHFFFAOYSA-N 0 1 387.488 1.730 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576206969 950587678 /nfs/dbraw/zinc/58/76/78/950587678.db2.gz ZWZCXRJKOAFSTM-ZIAGYGMSSA-N 0 1 387.463 1.290 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576206969 950587694 /nfs/dbraw/zinc/58/76/94/950587694.db2.gz ZWZCXRJKOAFSTM-ZIAGYGMSSA-N 0 1 387.463 1.290 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573870433 950590064 /nfs/dbraw/zinc/59/00/64/950590064.db2.gz WDTNGAKDCIGPTB-LBPRGKRZSA-N 0 1 388.476 1.193 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207033 950590516 /nfs/dbraw/zinc/59/05/16/950590516.db2.gz BPMHZCNNRVMIDO-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207033 950590532 /nfs/dbraw/zinc/59/05/32/950590532.db2.gz BPMHZCNNRVMIDO-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207033 950590548 /nfs/dbraw/zinc/59/05/48/950590548.db2.gz BPMHZCNNRVMIDO-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207033 950590565 /nfs/dbraw/zinc/59/05/65/950590565.db2.gz BPMHZCNNRVMIDO-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576206967 950591313 /nfs/dbraw/zinc/59/13/13/950591313.db2.gz ZWZCXRJKOAFSTM-KGLIPLIRSA-N 0 1 387.463 1.290 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576206967 950591326 /nfs/dbraw/zinc/59/13/26/950591326.db2.gz ZWZCXRJKOAFSTM-KGLIPLIRSA-N 0 1 387.463 1.290 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001573870499 950595578 /nfs/dbraw/zinc/59/55/78/950595578.db2.gz XEDJEMKNRVXFHI-HNNXBMFYSA-N 0 1 385.472 1.552 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001574173722 950603946 /nfs/dbraw/zinc/60/39/46/950603946.db2.gz MCYXKNPTRFPIME-LSDHHAIUSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575000724 950614808 /nfs/dbraw/zinc/61/48/08/950614808.db2.gz RXVQDYBPAKJTQY-LLVKDONJSA-N 0 1 381.444 1.127 20 0 GDADMN C[C@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575001499 950632977 /nfs/dbraw/zinc/63/29/77/950632977.db2.gz LRUOUOCDGXFRLR-NSHDSACASA-N 0 1 382.428 1.028 20 0 GDADMN CC(C)CCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001574174477 950635881 /nfs/dbraw/zinc/63/58/81/950635881.db2.gz ISIIOFXTMNQHPN-KGLIPLIRSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574518317 950650973 /nfs/dbraw/zinc/65/09/73/950650973.db2.gz NMVUHENRSGPRNJ-AEGPPILISA-N 0 1 378.440 1.332 20 0 GDADMN C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575922952 950655899 /nfs/dbraw/zinc/65/58/99/950655899.db2.gz BAUMOVXQQNURKM-QWHCGFSZSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575922952 950655919 /nfs/dbraw/zinc/65/59/19/950655919.db2.gz BAUMOVXQQNURKM-QWHCGFSZSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)C1CC1 ZINC001574519613 950689841 /nfs/dbraw/zinc/68/98/41/950689841.db2.gz WXUPTFPDYZFLPY-GLCQIGPWSA-N 0 1 384.459 1.988 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573878083 950701722 /nfs/dbraw/zinc/70/17/22/950701722.db2.gz JYBHTPKVGXZUKF-BFHYXJOUSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC001575926383 950711448 /nfs/dbraw/zinc/71/14/48/950711448.db2.gz JQNWEDOMAKRPJN-DYVFJYSZSA-N 0 1 392.467 1.465 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926561 950713164 /nfs/dbraw/zinc/71/31/64/950713164.db2.gz KNPOXSGEHLZNRA-PXAZEXFGSA-N 0 1 391.435 1.429 20 0 GDADMN CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]21 ZINC001575626458 950713805 /nfs/dbraw/zinc/71/38/05/950713805.db2.gz ZPABQARPNOFGEE-DAXOMENPSA-N 0 1 382.472 1.566 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575926666 950717608 /nfs/dbraw/zinc/71/76/08/950717608.db2.gz YCDPIULLNXPKBV-BLLLJJGKSA-N 0 1 390.451 1.282 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573878613 950720184 /nfs/dbraw/zinc/72/01/84/950720184.db2.gz WOAYMBRIADYXQA-BFHYXJOUSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](CN(C)C(=O)c1cncc(F)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574763767 950729296 /nfs/dbraw/zinc/72/92/96/950729296.db2.gz KIKCEWCURVSTTA-LLVKDONJSA-N 0 1 387.394 1.790 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576217062 950756523 /nfs/dbraw/zinc/75/65/23/950756523.db2.gz GOANQCAKSNUUMJ-ZYHUDNBSSA-N 0 1 377.399 1.378 20 0 GDADMN CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573884026 950781731 /nfs/dbraw/zinc/78/17/31/950781731.db2.gz CWPCOVBJVCXYDZ-XYPYZODXSA-N 0 1 381.444 1.077 20 0 GDADMN CC1(C)CC(CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001575632182 950793222 /nfs/dbraw/zinc/79/32/22/950793222.db2.gz DCSMGFBODPMGBE-SJORKVTESA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCC1 ZINC001574522572 950799413 /nfs/dbraw/zinc/79/94/13/950799413.db2.gz KYBUKOXXQXZITJ-NWDGAFQWSA-N 0 1 376.486 1.995 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCC1 ZINC001574522572 950799429 /nfs/dbraw/zinc/79/94/29/950799429.db2.gz KYBUKOXXQXZITJ-NWDGAFQWSA-N 0 1 376.486 1.995 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575633294 950817804 /nfs/dbraw/zinc/81/78/04/950817804.db2.gz RPJROXCKUACHAP-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cncnc1 ZINC001575932202 950822697 /nfs/dbraw/zinc/82/26/97/950822697.db2.gz KKIUPQHCWMXKEE-IONNQARKSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCc1cn[nH]c1 ZINC001574524368 950854613 /nfs/dbraw/zinc/85/46/13/950854613.db2.gz VWXSZOFQGSMMNL-VXGBXAGGSA-N 0 1 388.501 1.657 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCc1cn[nH]c1 ZINC001574524368 950854633 /nfs/dbraw/zinc/85/46/33/950854633.db2.gz VWXSZOFQGSMMNL-VXGBXAGGSA-N 0 1 388.501 1.657 20 0 GDADMN CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590345391 950901072 /nfs/dbraw/zinc/90/10/72/950901072.db2.gz AVKMOSLKUMZVSP-DGCLKSJQSA-N 0 1 396.406 1.952 20 0 GDADMN CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590345391 950901092 /nfs/dbraw/zinc/90/10/92/950901092.db2.gz AVKMOSLKUMZVSP-DGCLKSJQSA-N 0 1 396.406 1.952 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cccc(Cl)c1F ZINC001575016989 950967791 /nfs/dbraw/zinc/96/77/91/950967791.db2.gz FFAYZDUIXYAPIJ-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc(O)ccc1Cl ZINC001575017450 950996107 /nfs/dbraw/zinc/99/61/07/950996107.db2.gz KKGPRDZZJJBALY-VIFPVBQESA-N 0 1 375.820 1.462 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1csnn1 ZINC001574530873 950999545 /nfs/dbraw/zinc/99/95/45/950999545.db2.gz YEKYRTUVZMGDMN-RKDXNWHRSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1csnn1 ZINC001574530873 950999570 /nfs/dbraw/zinc/99/95/70/950999570.db2.gz YEKYRTUVZMGDMN-RKDXNWHRSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575024573 951106241 /nfs/dbraw/zinc/10/62/41/951106241.db2.gz HVIBKVXGAYVOAD-LLVKDONJSA-N 0 1 384.465 1.771 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCO2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575024573 951106247 /nfs/dbraw/zinc/10/62/47/951106247.db2.gz HVIBKVXGAYVOAD-LLVKDONJSA-N 0 1 384.465 1.771 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024582 951110818 /nfs/dbraw/zinc/11/08/18/951110818.db2.gz IDRRCOLPPYMCID-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025379 951131309 /nfs/dbraw/zinc/13/13/09/951131309.db2.gz YRNGXVOMUNCVKT-CYBMUJFWSA-N 0 1 392.467 1.435 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c(C(=O)[O-])c1C ZINC001591466579 951147872 /nfs/dbraw/zinc/14/78/72/951147872.db2.gz JIMRWFWUOCJXIT-GHMZBOCLSA-N 0 1 384.454 1.715 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](C)O)c(C(=O)[O-])c1C ZINC001591466579 951147879 /nfs/dbraw/zinc/14/78/79/951147879.db2.gz JIMRWFWUOCJXIT-GHMZBOCLSA-N 0 1 384.454 1.715 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027126 951152239 /nfs/dbraw/zinc/15/22/39/951152239.db2.gz PQRBHDRYYDVOQN-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H](CNC(=O)c1ccncc1F)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575034240 951242195 /nfs/dbraw/zinc/24/21/95/951242195.db2.gz KDVGYEUTAJANCD-LURJTMIESA-N 0 1 382.812 1.741 20 0 GDADMN C[C@H](CNC(=O)c1ccncc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575035296 951271662 /nfs/dbraw/zinc/27/16/62/951271662.db2.gz VVQOUGVLZXYOCB-MRVPVSSYSA-N 0 1 378.849 1.850 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C)nc1Cl)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575042494 951362397 /nfs/dbraw/zinc/36/23/97/951362397.db2.gz KNZKGZKZXMTFNS-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575057909 951532021 /nfs/dbraw/zinc/53/20/21/951532021.db2.gz SKWKDJNHLUHEEM-SECBINFHSA-N 0 1 387.473 1.063 20 0 GDADMN C[C@@H](CNC(=O)c1occ2c1CCOC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067259 951606349 /nfs/dbraw/zinc/60/63/49/951606349.db2.gz POWQGIVBJAEVPT-NSHDSACASA-N 0 1 383.412 1.182 20 0 GDADMN C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575067381 951611174 /nfs/dbraw/zinc/61/11/74/951611174.db2.gz LITIWKMLMDJOQT-JTQLQIEISA-N 0 1 385.432 1.197 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1[O-])C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082607 951736706 /nfs/dbraw/zinc/73/67/06/951736706.db2.gz XQHCIOCNDDNRLC-NSHDSACASA-N 0 1 385.403 1.262 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575088658 951740954 /nfs/dbraw/zinc/74/09/54/951740954.db2.gz ADFGALQLUIFKNB-XHDPSFHLSA-N 0 1 382.440 1.958 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575088658 951740959 /nfs/dbraw/zinc/74/09/59/951740959.db2.gz ADFGALQLUIFKNB-XHDPSFHLSA-N 0 1 382.440 1.958 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCc1cn[nH]c1 ZINC001575091038 951768450 /nfs/dbraw/zinc/76/84/50/951768450.db2.gz OYNJUVKNQSRVQU-LBPRGKRZSA-N 0 1 386.435 1.298 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1nccs1 ZINC001575091181 951770488 /nfs/dbraw/zinc/77/04/88/951770488.db2.gz PVYSXJPLKOYSFR-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099446 951835504 /nfs/dbraw/zinc/83/55/04/951835504.db2.gz MHKQFKLMFKNWLS-JTQLQIEISA-N 0 1 386.485 1.684 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099446 951835514 /nfs/dbraw/zinc/83/55/14/951835514.db2.gz MHKQFKLMFKNWLS-JTQLQIEISA-N 0 1 386.485 1.684 20 0 GDADMN C[C@@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100144 951841351 /nfs/dbraw/zinc/84/13/51/951841351.db2.gz RALDPRIAFUOEFT-PNESKVBLSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](CNC(=O)C1CCC(O)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100144 951841356 /nfs/dbraw/zinc/84/13/56/951841356.db2.gz RALDPRIAFUOEFT-PNESKVBLSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100502 951843885 /nfs/dbraw/zinc/84/38/85/951843885.db2.gz TVZCFOCLBWSPAO-GFCCVEGCSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100502 951843895 /nfs/dbraw/zinc/84/38/95/951843895.db2.gz TVZCFOCLBWSPAO-GFCCVEGCSA-N 0 1 386.485 1.193 20 0 GDADMN CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC2(CC(=O)[O-])CCOCC2)CC1 ZINC001602888486 971786055 /nfs/dbraw/zinc/78/60/55/971786055.db2.gz IAGIGMDHJPYWNW-UHFFFAOYSA-N 0 1 399.488 1.069 20 0 GDADMN C[C@H](CNCc1noc2c1CCCC2)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575117378 951978160 /nfs/dbraw/zinc/97/81/60/951978160.db2.gz NAWUABUMBRVUGI-LLVKDONJSA-N 0 1 384.444 1.217 20 0 GDADMN C[C@H](CNCc1ncc(C(C)(C)C)o1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575119334 951988965 /nfs/dbraw/zinc/98/89/65/951988965.db2.gz XJKCEJOHHXDLNY-LLVKDONJSA-N 0 1 386.460 1.636 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575143532 952154657 /nfs/dbraw/zinc/15/46/57/952154657.db2.gz BCQVEXPZHDPXIJ-INIZCTEOSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575144782 952172515 /nfs/dbraw/zinc/17/25/15/952172515.db2.gz LJCSVIFFTHNEFQ-ZDUSSCGKSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1sccc1C1CC1 ZINC001575144867 952173223 /nfs/dbraw/zinc/17/32/23/952173223.db2.gz MYUHOGFVJQJOAD-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575144919 952173438 /nfs/dbraw/zinc/17/34/38/952173438.db2.gz NPYKONVOTBOYLN-GFCCVEGCSA-N 0 1 378.440 1.140 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575145835 952189056 /nfs/dbraw/zinc/18/90/56/952189056.db2.gz DHMXDIBAQIPXIR-LBPRGKRZSA-N 0 1 385.403 1.161 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575146069 952191744 /nfs/dbraw/zinc/19/17/44/952191744.db2.gz HGYADOIPIVNUAR-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575165597 952312809 /nfs/dbraw/zinc/31/28/09/952312809.db2.gz PYIOQFGEORFLAF-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575165597 952312815 /nfs/dbraw/zinc/31/28/15/952312815.db2.gz PYIOQFGEORFLAF-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575165911 952315736 /nfs/dbraw/zinc/31/57/36/952315736.db2.gz RCERQZURXLNUQG-NTSWFWBYSA-N 0 1 377.808 1.891 20 0 GDADMN O=C([O-])c1cc(NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)ccn1 ZINC001595208888 952352873 /nfs/dbraw/zinc/35/28/73/952352873.db2.gz SYRGLODWNYJFFN-UHFFFAOYSA-N 0 1 390.362 1.898 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)C[C@H]1C ZINC001575199580 952489414 /nfs/dbraw/zinc/48/94/14/952489414.db2.gz DFBGRJNEQGGIOC-LALPHHSUSA-N 0 1 398.446 1.549 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575200233 952493874 /nfs/dbraw/zinc/49/38/74/952493874.db2.gz AYZDJTOBFKQPGW-JSGCOSHPSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](Nc1ncccc1-c1nn[nH]n1)C1CC1 ZINC001575201115 952501289 /nfs/dbraw/zinc/50/12/89/952501289.db2.gz NLSIRTFAQIVUEL-ABAIWWIYSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001575202013 952510235 /nfs/dbraw/zinc/51/02/35/952510235.db2.gz LWDQBUCBTMSIRA-CQSZACIVSA-N 0 1 380.456 1.113 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCCN(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001575202437 952513015 /nfs/dbraw/zinc/51/30/15/952513015.db2.gz NVHMWALITVLLHJ-ZDUSSCGKSA-N 0 1 383.460 1.148 20 0 GDADMN COC1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571122289 952524672 /nfs/dbraw/zinc/52/46/72/952524672.db2.gz IHMFDMWENXRAMS-HIFPTAJRSA-N 0 1 376.486 1.291 20 0 GDADMN COC1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571122289 952524677 /nfs/dbraw/zinc/52/46/77/952524677.db2.gz IHMFDMWENXRAMS-HIFPTAJRSA-N 0 1 376.486 1.291 20 0 GDADMN COC1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571122289 952524682 /nfs/dbraw/zinc/52/46/82/952524682.db2.gz IHMFDMWENXRAMS-HIFPTAJRSA-N 0 1 376.486 1.291 20 0 GDADMN COC1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571122289 952524684 /nfs/dbraw/zinc/52/46/84/952524684.db2.gz IHMFDMWENXRAMS-HIFPTAJRSA-N 0 1 376.486 1.291 20 0 GDADMN COC1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571122289 952524688 /nfs/dbraw/zinc/52/46/88/952524688.db2.gz IHMFDMWENXRAMS-HIFPTAJRSA-N 0 1 376.486 1.291 20 0 GDADMN O=C(C[C@H]1CCCCO1)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571124141 952533468 /nfs/dbraw/zinc/53/34/68/952533468.db2.gz ZKVYKTFHNYMMRM-QWHCGFSZSA-N 0 1 376.486 1.578 20 0 GDADMN O=C(c1csnn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571124167 952535043 /nfs/dbraw/zinc/53/50/43/952535043.db2.gz ZWOFAJFKCXLZRI-VIFPVBQESA-N 0 1 376.471 1.174 20 0 GDADMN O=C(c1csnn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571124167 952535049 /nfs/dbraw/zinc/53/50/49/952535049.db2.gz ZWOFAJFKCXLZRI-VIFPVBQESA-N 0 1 376.471 1.174 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)C3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124292 952536418 /nfs/dbraw/zinc/53/64/18/952536418.db2.gz DTUYCUYTWSQFOL-PWSUYJOCSA-N 0 1 377.399 1.439 20 0 GDADMN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)CCC1(F)F ZINC001571124283 952536579 /nfs/dbraw/zinc/53/65/79/952536579.db2.gz DNTYNTGIAGWFLL-IJLUTSLNSA-N 0 1 377.399 1.496 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124600 952541464 /nfs/dbraw/zinc/54/14/64/952541464.db2.gz OQMSYFVKBVOSAS-LKFCYVNXSA-N 0 1 377.399 1.296 20 0 GDADMN COc1ccc(CN2C[C@@H]3CCN(C(=O)C(F)F)[C@@H]3C2)cc1-c1nn[nH]n1 ZINC001571129458 952574344 /nfs/dbraw/zinc/57/43/44/952574344.db2.gz DAUVKBXRAKFYAX-WCQYABFASA-N 0 1 378.383 1.173 20 0 GDADMN C[C@H]1CN(C(=O)c2ccccn2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571135221 952601583 /nfs/dbraw/zinc/60/15/83/952601583.db2.gz RJQIIMVOKQXSNX-KBPBESRZSA-N 0 1 378.440 1.289 20 0 GDADMN Cc1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001571135481 952604454 /nfs/dbraw/zinc/60/44/54/952604454.db2.gz YORNDLZUSUNIOL-UHFFFAOYSA-N 0 1 378.440 1.351 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001571135566 952606118 /nfs/dbraw/zinc/60/61/18/952606118.db2.gz XAGGLSRHWKCBLP-UKRRQHHQSA-N 0 1 378.440 1.431 20 0 GDADMN C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC001571135634 952606493 /nfs/dbraw/zinc/60/64/93/952606493.db2.gz ZMVGZIKZOMMVHO-HNNXBMFYSA-N 0 1 378.440 1.251 20 0 GDADMN COc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571140230 952624774 /nfs/dbraw/zinc/62/47/74/952624774.db2.gz AUWLXBWOGVVSME-BETUJISGSA-N 0 1 379.424 1.374 20 0 GDADMN COC(=O)c1cccc(CC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)c1 ZINC001571140555 952626667 /nfs/dbraw/zinc/62/66/67/952626667.db2.gz CUKXKBUYEZJYMM-UHFFFAOYSA-N 0 1 378.801 1.944 20 0 GDADMN CC[C@H](C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571140516 952626894 /nfs/dbraw/zinc/62/68/94/952626894.db2.gz BSSCUODRORPHGR-NWDGAFQWSA-N 0 1 378.506 1.232 20 0 GDADMN COc1ccnc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571140741 952628832 /nfs/dbraw/zinc/62/88/32/952628832.db2.gz FHXVCQNWGNGNDN-CQSZACIVSA-N 0 1 379.424 1.275 20 0 GDADMN O=C(c1ncccc1[O-])N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571147770 952663701 /nfs/dbraw/zinc/66/37/01/952663701.db2.gz PTZBHGDXDVPHHG-UHFFFAOYSA-N 0 1 379.424 1.315 20 0 GDADMN O=C(c1ncccc1[O-])N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571147770 952663705 /nfs/dbraw/zinc/66/37/05/952663705.db2.gz PTZBHGDXDVPHHG-UHFFFAOYSA-N 0 1 379.424 1.315 20 0 GDADMN O=C(C1CC1)N1CCC[C@@H]2[C@H]1CCN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571152047 952680910 /nfs/dbraw/zinc/68/09/10/952680910.db2.gz BSFLTAQEVXQDGV-NXEZZACHSA-N 0 1 379.877 1.956 20 0 GDADMN Cc1cccnc1C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571156671 952703432 /nfs/dbraw/zinc/70/34/32/952703432.db2.gz GRXOWWPSDYSJCD-CYBMUJFWSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cncc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571156851 952705667 /nfs/dbraw/zinc/70/56/67/952705667.db2.gz LIKSAFYBXFYGHA-AWEZNQCLSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cc(N(C)[C@H]2CCN(C(=O)c3ccnc(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156820 952706162 /nfs/dbraw/zinc/70/61/62/952706162.db2.gz KPEHWGRMUUMVIM-ZDUSSCGKSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1ccc(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)c(=O)[nH]1 ZINC001571158481 952712830 /nfs/dbraw/zinc/71/28/30/952712830.db2.gz JCBGLSQBHASNOT-UHFFFAOYSA-N 0 1 380.412 1.070 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3ncoc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159559 952721111 /nfs/dbraw/zinc/72/11/11/952721111.db2.gz YEUPTYQRUQSVHK-LBPRGKRZSA-N 0 1 380.412 1.444 20 0 GDADMN Cc1cc[nH]c1C(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001571170483 952786079 /nfs/dbraw/zinc/78/60/79/952786079.db2.gz VIFZZWRNDMFXBC-OAHLLOKOSA-N 0 1 380.456 1.591 20 0 GDADMN Cc1ccn(C)c1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571170885 952789706 /nfs/dbraw/zinc/78/97/06/952789706.db2.gz YPUYMFRXANWLDR-UONOGXRCSA-N 0 1 380.456 1.436 20 0 GDADMN Cc1nn(C)cc1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571172084 952801483 /nfs/dbraw/zinc/80/14/83/952801483.db2.gz LTOWANWHGMXTQG-INIZCTEOSA-N 0 1 380.456 1.303 20 0 GDADMN Cc1cc(N[C@@H](C)[C@@H]2CCN(C(=O)Cc3ccco3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179413 952853455 /nfs/dbraw/zinc/85/34/55/952853455.db2.gz DIFKRXJDNXHDKL-UONOGXRCSA-N 0 1 381.440 1.477 20 0 GDADMN Cc1noc(C)c1C(=O)N[C@@]1(C)CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571181794 952866501 /nfs/dbraw/zinc/86/65/01/952866501.db2.gz YKGLDWGDYVXSDL-IBGZPJMESA-N 0 1 381.440 1.866 20 0 GDADMN COc1cccc([C@@H](C)N2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571182652 952866947 /nfs/dbraw/zinc/86/69/47/952866947.db2.gz AJAFQYHASDPECU-IUODEOHRSA-N 0 1 381.440 1.769 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC001571182647 952867456 /nfs/dbraw/zinc/86/74/56/952867456.db2.gz AISHNHJJXOQVOM-DZGCQCFKSA-N 0 1 381.440 1.558 20 0 GDADMN CC(C)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)no1 ZINC001571182780 952868667 /nfs/dbraw/zinc/86/86/67/952868667.db2.gz FQHMACWETFLHOH-OAHLLOKOSA-N 0 1 381.440 1.982 20 0 GDADMN O=C(Cc1cccc(F)c1)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571183235 952875569 /nfs/dbraw/zinc/87/55/69/952875569.db2.gz UBJLAICJRICEMA-AWEZNQCLSA-N 0 1 381.415 1.326 20 0 GDADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1cncc(F)c1 ZINC001571183332 952876391 /nfs/dbraw/zinc/87/63/91/952876391.db2.gz XLTSOOGDOZQJSS-ZDUSSCGKSA-N 0 1 381.415 1.653 20 0 GDADMN CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001571183814 952883012 /nfs/dbraw/zinc/88/30/12/952883012.db2.gz JXKRNNCEINUSRO-CYBMUJFWSA-N 0 1 381.444 1.178 20 0 GDADMN CCc1[nH]ccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571184086 952887841 /nfs/dbraw/zinc/88/78/41/952887841.db2.gz PYJVGGCKASVKBV-RISCZKNCSA-N 0 1 381.444 1.335 20 0 GDADMN CCc1[nH]ccc1C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571184330 952892031 /nfs/dbraw/zinc/89/20/31/952892031.db2.gz WGCYFJMZIQNLMQ-HAQNSBGRSA-N 0 1 381.444 1.122 20 0 GDADMN Cc1cc(C)c(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)[nH]1 ZINC001571188906 952921378 /nfs/dbraw/zinc/92/13/78/952921378.db2.gz PEVMJCKRWPMCHL-CYBMUJFWSA-N 0 1 381.444 1.343 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3cnn(C(C)C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189071 952924130 /nfs/dbraw/zinc/92/41/30/952924130.db2.gz RKNBUVFQANFLAF-CQSZACIVSA-N 0 1 381.444 1.356 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001571195700 952977428 /nfs/dbraw/zinc/97/74/28/952977428.db2.gz DQUPWOCYMPHHSI-VXGBXAGGSA-N 0 1 382.403 1.180 20 0 GDADMN CCN(C(=O)c1ocnc1C)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571198532 952991062 /nfs/dbraw/zinc/99/10/62/952991062.db2.gz BDXSGNRCJXOFHR-ZDUSSCGKSA-N 0 1 382.428 1.608 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)no1 ZINC001571201018 953013952 /nfs/dbraw/zinc/01/39/52/953013952.db2.gz IDDQIRQRXCBFMC-OCCSQVGLSA-N 0 1 382.428 1.299 20 0 GDADMN Cc1nc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)co1 ZINC001571201328 953015915 /nfs/dbraw/zinc/01/59/15/953015915.db2.gz KCKLZHMGHYECMN-DGCLKSJQSA-N 0 1 382.428 1.394 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c(C)o1 ZINC001571201775 953019314 /nfs/dbraw/zinc/01/93/14/953019314.db2.gz OBALKEXSJGNRID-ZDUSSCGKSA-N 0 1 382.428 1.655 20 0 GDADMN CCc1nc(NC[C@@H]2CCCCN2C(=O)c2ccn[nH]2)cc(-c2nn[nH]n2)n1 ZINC001571204651 953031178 /nfs/dbraw/zinc/03/11/78/953031178.db2.gz CAOIKNZXTVRURR-NSHDSACASA-N 0 1 382.432 1.049 20 0 GDADMN O=C(NC[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1)[C@@H]1CC12CC2 ZINC001571209985 953069774 /nfs/dbraw/zinc/06/97/74/953069774.db2.gz KSBZPGBUBRBUIS-IRXDYDNUSA-N 0 1 382.468 1.374 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001571212269 953086326 /nfs/dbraw/zinc/08/63/26/953086326.db2.gz KIHNJUZKCLXMOC-NYTXWWLZSA-N 0 1 382.472 1.520 20 0 GDADMN O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCC12CC2 ZINC001571217351 953107231 /nfs/dbraw/zinc/10/72/31/953107231.db2.gz FWGDDBVZBNNNQT-ZIAGYGMSSA-N 0 1 382.472 1.570 20 0 GDADMN O=C(NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001571218447 953115332 /nfs/dbraw/zinc/11/53/32/953115332.db2.gz OAHZSXIHJDTAEX-RBSFLKMASA-N 0 1 382.472 1.426 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C1CC1)C1CC1 ZINC001571219061 953122355 /nfs/dbraw/zinc/12/23/55/953122355.db2.gz UDWYLDHTKQBSJT-AWEZNQCLSA-N 0 1 382.472 1.568 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC34CCOCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233328 953191649 /nfs/dbraw/zinc/19/16/49/953191649.db2.gz RXUHWIRYLKYWJF-DZGCQCFKSA-N 0 1 383.456 1.082 20 0 GDADMN O=C(Cc1cccs1)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571234431 953202152 /nfs/dbraw/zinc/20/21/52/953202152.db2.gz XKDKEXLSDNBMTP-CYBMUJFWSA-N 0 1 383.481 1.638 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1CCNc1cccc(F)c1-c1nn[nH]n1 ZINC001571239680 953241999 /nfs/dbraw/zinc/24/19/99/953241999.db2.gz PSQNUUMYPMIOJU-VXGBXAGGSA-N 0 1 384.419 1.939 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]1 ZINC001571241737 953249404 /nfs/dbraw/zinc/24/94/04/953249404.db2.gz KFSNYNZKPMKSQD-CQSZACIVSA-N 0 1 384.419 1.350 20 0 GDADMN O=C(NC[C@@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccn[nH]1 ZINC001571241885 953250734 /nfs/dbraw/zinc/25/07/34/953250734.db2.gz OKRSPZAFIBMTNN-LBPRGKRZSA-N 0 1 384.419 1.371 20 0 GDADMN CCc1nnsc1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571244685 953265747 /nfs/dbraw/zinc/26/57/47/953265747.db2.gz DVXSMZDARMBURD-UHFFFAOYSA-N 0 1 384.469 1.142 20 0 GDADMN Cc1ccsc1C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571245583 953274525 /nfs/dbraw/zinc/27/45/25/953274525.db2.gz VZRZFWKSUJFMDS-LBPRGKRZSA-N 0 1 384.469 1.625 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2ccns2)C1 ZINC001571246111 953280369 /nfs/dbraw/zinc/28/03/69/953280369.db2.gz TURSOYSIESSLFM-RYUDHWBXSA-N 0 1 384.469 1.493 20 0 GDADMN O=C(Cc1cscn1)N[C@@H]1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571248188 953290726 /nfs/dbraw/zinc/29/07/26/953290726.db2.gz NCPBUGAZVCGYRM-BXUZGUMPSA-N 0 1 384.469 1.080 20 0 GDADMN Cc1noc(C)c1CN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571250468 953311163 /nfs/dbraw/zinc/31/11/63/953311163.db2.gz RTDABKWJKYHDJS-MFKMUULPSA-N 0 1 384.444 1.583 20 0 GDADMN CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571250825 953313435 /nfs/dbraw/zinc/31/34/35/953313435.db2.gz TTXQWMUSTDLLRJ-IFXJQAMLSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001571251137 953314929 /nfs/dbraw/zinc/31/49/29/953314929.db2.gz WEVVPAIKCFJBIM-TZMCWYRMSA-N 0 1 384.488 1.554 20 0 GDADMN Cc1nc(C)c(CN2CCC(N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)o1 ZINC001571251260 953316981 /nfs/dbraw/zinc/31/69/81/953316981.db2.gz SZOJTGDELKAQMU-UHFFFAOYSA-N 0 1 384.444 1.536 20 0 GDADMN CN1CCC[C@@H]1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571251822 953320135 /nfs/dbraw/zinc/32/01/35/953320135.db2.gz ANNPZIAGHXGXOY-HZPDHXFCSA-N 0 1 384.488 1.539 20 0 GDADMN Cc1nc(N2C[C@H](NC(=O)CN3CCCC3)CC[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571252321 953325940 /nfs/dbraw/zinc/32/59/40/953325940.db2.gz LANZULVUERLFGP-UKRRQHHQSA-N 0 1 384.488 1.139 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](NC(=O)CN3CCCC3)CC[C@H]2C)n1 ZINC001571252832 953332629 /nfs/dbraw/zinc/33/26/29/953332629.db2.gz WHPYSTFEDWYXIA-CABCVRRESA-N 0 1 384.488 1.139 20 0 GDADMN CCS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1 ZINC001593368874 953360009 /nfs/dbraw/zinc/36/00/09/953360009.db2.gz IRHXTDRHSBFIBM-HZPDHXFCSA-N 0 1 391.493 1.904 20 0 GDADMN CCS(=O)(=O)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1 ZINC001593368874 953360017 /nfs/dbraw/zinc/36/00/17/953360017.db2.gz IRHXTDRHSBFIBM-HZPDHXFCSA-N 0 1 391.493 1.904 20 0 GDADMN CN(C(=O)c1ccc(F)cc1F)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571256302 953368473 /nfs/dbraw/zinc/36/84/73/953368473.db2.gz UKKCIQWKLNOORN-UHFFFAOYSA-N 0 1 385.378 1.677 20 0 GDADMN O=C(CNS(=O)(=O)c1ccsc1-c1nn[nH]n1)c1c(F)cccc1F ZINC001571256358 953369813 /nfs/dbraw/zinc/36/98/13/953369813.db2.gz VWFXREFOXFANPE-UHFFFAOYSA-N 0 1 385.377 1.368 20 0 GDADMN O=C([O-])CC[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000424252397 953437115 /nfs/dbraw/zinc/43/71/15/953437115.db2.gz DINIJSVYMRFZPK-ZDUSSCGKSA-N 0 1 383.395 1.739 20 0 GDADMN 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YBMIBTUTFFQWLE-MJGOQNOKSA-N 0 1 388.512 1.824 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000650506333 602200034 /nfs/dbraw/zinc/20/00/34/602200034.db2.gz ICXRDPNXVYIVGE-LBPRGKRZSA-N 0 1 376.392 1.378 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000650506333 602200037 /nfs/dbraw/zinc/20/00/37/602200037.db2.gz ICXRDPNXVYIVGE-LBPRGKRZSA-N 0 1 376.392 1.378 20 0 GDADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)C2=O)c1 ZINC000833329303 602204315 /nfs/dbraw/zinc/20/43/15/602204315.db2.gz AXIMHONYKGNWNW-MGPUTAFESA-N 0 1 387.436 1.738 20 0 GDADMN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)C2=O)c1 ZINC000833329303 602204316 /nfs/dbraw/zinc/20/43/16/602204316.db2.gz AXIMHONYKGNWNW-MGPUTAFESA-N 0 1 387.436 1.738 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)CN(C)C(=O)[O-])CC1 ZINC000740183748 602205510 /nfs/dbraw/zinc/20/55/10/602205510.db2.gz KAIKJQZLMOSAIF-UHFFFAOYSA-N 0 1 377.441 1.182 20 0 GDADMN Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833011193 602217293 /nfs/dbraw/zinc/21/72/93/602217293.db2.gz VECHNQHLUHEPCW-UHFFFAOYSA-N 0 1 394.453 1.895 20 0 GDADMN CC(C)[C@@H](NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)c1nc(C2CC2)no1 ZINC000738793989 602224555 /nfs/dbraw/zinc/22/45/55/602224555.db2.gz WVDAGYWKDGVMMI-CQSZACIVSA-N 0 1 394.476 1.629 20 0 GDADMN CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000739551739 602264661 /nfs/dbraw/zinc/26/46/61/602264661.db2.gz YFRYSHJDWUUPCG-RHSMWYFYSA-N 0 1 390.484 1.814 20 0 GDADMN CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000739551739 602264662 /nfs/dbraw/zinc/26/46/62/602264662.db2.gz YFRYSHJDWUUPCG-RHSMWYFYSA-N 0 1 390.484 1.814 20 0 GDADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000528955822 649932099 /nfs/dbraw/zinc/93/20/99/649932099.db2.gz QDBYEXHFNLDCBB-WDEREUQCSA-N 0 1 377.869 1.308 20 0 GDADMN COc1cccc(NC(=O)CN(C)C(=O)C[N@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000832563049 602338195 /nfs/dbraw/zinc/33/81/95/602338195.db2.gz UEVSQXYCKOWTBW-UHFFFAOYSA-N 0 1 377.441 1.421 20 0 GDADMN COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000832563049 602338197 /nfs/dbraw/zinc/33/81/97/602338197.db2.gz UEVSQXYCKOWTBW-UHFFFAOYSA-N 0 1 377.441 1.421 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738620867 602399758 /nfs/dbraw/zinc/39/97/58/602399758.db2.gz ZKQYLMYZTHHUBN-SJORKVTESA-N 0 1 389.500 1.441 20 0 GDADMN COc1ccc(C[C@@]2(C)NC(=O)N(C[N@@H+]3CC[C@H](CNC(=O)[O-])C3)C2=O)cc1 ZINC000739895376 602422261 /nfs/dbraw/zinc/42/22/61/602422261.db2.gz PZUURZSOUALRQI-AUUYWEPGSA-N 0 1 390.440 1.095 20 0 GDADMN COc1ccc(C[C@@]2(C)NC(=O)N(C[N@H+]3CC[C@H](CNC(=O)[O-])C3)C2=O)cc1 ZINC000739895376 602422263 /nfs/dbraw/zinc/42/22/63/602422263.db2.gz PZUURZSOUALRQI-AUUYWEPGSA-N 0 1 390.440 1.095 20 0 GDADMN CCN1CC[NH+](Cc2ccc(CNC(=O)NCCN(C)C(=O)[O-])cc2)CC1 ZINC000739456410 602439800 /nfs/dbraw/zinc/43/98/00/602439800.db2.gz JTMXEORLCYWGRJ-UHFFFAOYSA-N 0 1 377.489 1.233 20 0 GDADMN C[C@@H](NC(=O)[O-])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000739021293 602447676 /nfs/dbraw/zinc/44/76/76/602447676.db2.gz CDJSVUOQXZMLRG-MNOVXSKESA-N 0 1 375.429 1.964 20 0 GDADMN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[O-])C1 ZINC000740328597 602471444 /nfs/dbraw/zinc/47/14/44/602471444.db2.gz RNXIFYAFOXJCPT-WCVJEAGWSA-N 0 1 380.489 1.001 20 0 GDADMN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000738704395 602501394 /nfs/dbraw/zinc/50/13/94/602501394.db2.gz RFGXQTOVLCWZEB-HNNXBMFYSA-N 0 1 398.504 1.578 20 0 GDADMN CCN(CC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1)C1CC1 ZINC000825394627 607570734 /nfs/dbraw/zinc/57/07/34/607570734.db2.gz FXZIGIXPRGDBTE-UHFFFAOYSA-N 0 1 397.483 1.528 20 0 GDADMN O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-])NCCCN1CCCC1=O ZINC000740370556 602527652 /nfs/dbraw/zinc/52/76/52/602527652.db2.gz ZWMVBNNCYBWGAA-JKSUJKDBSA-N 0 1 380.489 1.112 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738600476 602529909 /nfs/dbraw/zinc/52/99/09/602529909.db2.gz JNGXPQSDWQLYKW-OWCLPIDISA-N 0 1 391.468 1.605 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738613894 602530389 /nfs/dbraw/zinc/53/03/89/602530389.db2.gz BATQFBQMZOKYEL-HZPDHXFCSA-N 0 1 375.473 1.050 20 0 GDADMN C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738626470 602530596 /nfs/dbraw/zinc/53/05/96/602530596.db2.gz UWUHPIPKVYJTGF-ILXRZTDVSA-N 0 1 377.441 1.263 20 0 GDADMN C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738626646 602530634 /nfs/dbraw/zinc/53/06/34/602530634.db2.gz DMBWMGUUDDPHRZ-ZBFHGGJFSA-N 0 1 391.468 1.437 20 0 GDADMN COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739784419 602532758 /nfs/dbraw/zinc/53/27/58/602532758.db2.gz AZBXTUAZFKKSIK-UKRRQHHQSA-N 0 1 377.441 1.410 20 0 GDADMN COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000738051951 602533027 /nfs/dbraw/zinc/53/30/27/602533027.db2.gz UHHKVWFQEBJNPA-ZDUSSCGKSA-N 0 1 377.441 1.552 20 0 GDADMN O=C([O-])N1CCC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](O)CN2CCOCC2)C1 ZINC000740513937 602557730 /nfs/dbraw/zinc/55/77/30/602557730.db2.gz BXYSXOUPJJCVBC-MOPGFXCFSA-N 0 1 377.485 1.324 20 0 GDADMN CN(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000739573831 602572999 /nfs/dbraw/zinc/57/29/99/602572999.db2.gz APOQZBJNUSKCIQ-FUHWJXTLSA-N 0 1 375.469 1.785 20 0 GDADMN C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000738908793 602607469 /nfs/dbraw/zinc/60/74/69/602607469.db2.gz ALFRSQXDMBPQBB-CQSZACIVSA-N 0 1 375.473 1.480 20 0 GDADMN CCN1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@H](C)CNC(=O)[O-])cc2)CC1 ZINC000739455001 602615021 /nfs/dbraw/zinc/61/50/21/602615021.db2.gz CYEYBDZEWAUHAO-MRXNPFEDSA-N 0 1 391.516 1.622 20 0 GDADMN COc1ccccc1[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)NC(=O)[O-] ZINC000739959438 602619796 /nfs/dbraw/zinc/61/97/96/602619796.db2.gz OJOFZKJBMFITQR-GOEBONIOSA-N 0 1 376.457 1.882 20 0 GDADMN COc1ccccc1[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)NC(=O)[O-] ZINC000739965402 602621255 /nfs/dbraw/zinc/62/12/55/602621255.db2.gz XRLRMJDOCPQYBN-ZBFHGGJFSA-N 0 1 376.457 1.884 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739453770 602636046 /nfs/dbraw/zinc/63/60/46/602636046.db2.gz HYUZSNYCHIVIBL-DLBZAZTESA-N 0 1 375.473 1.830 20 0 GDADMN Cc1nc(C[NH+]2CCC(CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])CC2)oc1C ZINC000740223832 602640470 /nfs/dbraw/zinc/64/04/70/602640470.db2.gz QMLBNRYOMOSPLS-LBPRGKRZSA-N 0 1 381.477 1.801 20 0 GDADMN C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739111331 602640973 /nfs/dbraw/zinc/64/09/73/602640973.db2.gz ZUQAWEOQVOMVBB-CQSZACIVSA-N 0 1 388.468 1.652 20 0 GDADMN O=C([O-])N1CCc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2C1 ZINC000740465851 602641518 /nfs/dbraw/zinc/64/15/18/602641518.db2.gz MAELUWJXSVQSBE-IRXDYDNUSA-N 0 1 386.452 1.404 20 0 GDADMN CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000739732970 602668570 /nfs/dbraw/zinc/66/85/70/602668570.db2.gz QTORZRUSUZMDRG-WNHJNPCNSA-N 0 1 392.544 1.924 20 0 GDADMN CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000739732970 602668572 /nfs/dbraw/zinc/66/85/72/602668572.db2.gz QTORZRUSUZMDRG-WNHJNPCNSA-N 0 1 392.544 1.924 20 0 GDADMN CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000739222940 602688959 /nfs/dbraw/zinc/68/89/59/602688959.db2.gz IAXBKGSNTHHTLN-YOEHRIQHSA-N 0 1 382.505 1.071 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)NCC[C@@H]3CCN(C(=O)[O-])C3)C2)nc(C)[nH+]1 ZINC000740078696 602689950 /nfs/dbraw/zinc/68/99/50/602689950.db2.gz CDGBNSMEBRNCHY-CVEARBPZSA-N 0 1 390.488 1.751 20 0 GDADMN O=C([O-])NCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000740659242 602690711 /nfs/dbraw/zinc/69/07/11/602690711.db2.gz IKQXNEMLMKJWRV-LLVKDONJSA-N 0 1 385.262 1.440 20 0 GDADMN O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000740659242 602690713 /nfs/dbraw/zinc/69/07/13/602690713.db2.gz IKQXNEMLMKJWRV-LLVKDONJSA-N 0 1 385.262 1.440 20 0 GDADMN CCN(CCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C)C(=O)[O-] ZINC000739439658 602699341 /nfs/dbraw/zinc/69/93/41/602699341.db2.gz PYPZTBKKUHDOJF-UHFFFAOYSA-N 0 1 386.456 1.293 20 0 GDADMN O=C([O-])NCCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000740661011 602704328 /nfs/dbraw/zinc/70/43/28/602704328.db2.gz TWNAKKVFMRLZGN-LBPRGKRZSA-N 0 1 378.454 1.999 20 0 GDADMN O=C([O-])NCCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000740661011 602704329 /nfs/dbraw/zinc/70/43/29/602704329.db2.gz TWNAKKVFMRLZGN-LBPRGKRZSA-N 0 1 378.454 1.999 20 0 GDADMN CCN1CC[NH+](CCCNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)CC1 ZINC000739460589 602709876 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CN(C)C[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000530032677 649963103 /nfs/dbraw/zinc/96/31/03/649963103.db2.gz VHSJBHWUXMYWEO-CYBMUJFWSA-N 0 1 385.251 1.825 20 0 GDADMN NS(=O)(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000822895377 606066934 /nfs/dbraw/zinc/06/69/34/606066934.db2.gz QBRYYBMRHMVNPQ-INIZCTEOSA-N 0 1 398.492 1.787 20 0 GDADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4ccc(F)cc4F)C3=O)C[C@@H]21 ZINC000834191428 606071126 /nfs/dbraw/zinc/07/11/26/606071126.db2.gz ZOVZEIXHRULIPX-HTWGDNNSSA-N 0 1 393.390 1.965 20 0 GDADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@@H]21 ZINC000834189959 606071268 /nfs/dbraw/zinc/07/12/68/606071268.db2.gz VVBDWRPIHAXKDS-MSQAHXEGSA-N 0 1 375.400 1.826 20 0 GDADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)Nc1cnn(-c2ccncc2)c1 ZINC000823250160 606162078 /nfs/dbraw/zinc/16/20/78/606162078.db2.gz RAKCLHPLSAJCBL-UHFFFAOYSA-N 0 1 379.359 1.908 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCC[NH+]1CCCCC1 ZINC000822009698 606169808 /nfs/dbraw/zinc/16/98/08/606169808.db2.gz BUOXZUHNDBPAKG-UHFFFAOYSA-N 0 1 388.472 1.936 20 0 GDADMN O=C(NCc1c[nH]nn1)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000823229458 606197670 /nfs/dbraw/zinc/19/76/70/606197670.db2.gz SKNAFAVAPUGBMO-UHFFFAOYSA-N 0 1 376.380 1.494 20 0 GDADMN Cc1nc([C@@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(F)c43)CCO2)n[nH]1 ZINC000822420064 606198814 /nfs/dbraw/zinc/19/88/14/606198814.db2.gz ZTSDCERSTYVCDP-LBPRGKRZSA-N 0 1 399.365 1.698 20 0 GDADMN Cn1cncc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000822703640 606201367 /nfs/dbraw/zinc/20/13/67/606201367.db2.gz ACDLLFSCTJKYMG-UHFFFAOYSA-N 0 1 381.400 1.170 20 0 GDADMN O=C(NCc1c[nH]nn1)c1cccc(COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823229263 606202703 /nfs/dbraw/zinc/20/27/03/606202703.db2.gz JUVBFFFYXGHSNE-UHFFFAOYSA-N 0 1 376.380 1.494 20 0 GDADMN COc1cccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)cn2C)N2CCCC2)c1 ZINC000821857819 606273806 /nfs/dbraw/zinc/27/38/06/606273806.db2.gz ASCDFWYTAJKWDM-SFHVURJKSA-N 0 1 395.467 1.781 20 0 GDADMN O=C(NCCc1nc[nH]n1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823229020 606286705 /nfs/dbraw/zinc/28/67/05/606286705.db2.gz ANXLNNWCSFUTOO-UHFFFAOYSA-N 0 1 390.407 1.536 20 0 GDADMN COC(=O)[C@H](OC(=O)Cc1[nH]nc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000821648268 606373677 /nfs/dbraw/zinc/37/36/77/606373677.db2.gz FWLGFJGTSRSDTH-QGZVFWFLSA-N 0 1 392.375 1.743 20 0 GDADMN CN(C)C(=O)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821575629 606479710 /nfs/dbraw/zinc/47/97/10/606479710.db2.gz JLGFGIAIIBDGIC-UHFFFAOYSA-N 0 1 380.399 1.768 20 0 GDADMN CCC(CC)[C@H](CNC(=O)Cc1cccc(-c2nn[nH]n2)c1)N1CCOCC1 ZINC000820893331 606523899 /nfs/dbraw/zinc/52/38/99/606523899.db2.gz NSHVXPGXPOYYQA-SFHVURJKSA-N 0 1 386.500 1.662 20 0 GDADMN Cc1cc(N2C[C@H]3OCCN(C)[C@@H]3C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205977 606727639 /nfs/dbraw/zinc/72/76/39/606727639.db2.gz PIDUDINBVHCXTK-HZPDHXFCSA-N 0 1 390.451 1.495 20 0 GDADMN COc1cc(C[N@@H+]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000821716614 606728071 /nfs/dbraw/zinc/72/80/71/606728071.db2.gz BZGDLIJNBQKKLZ-CYBMUJFWSA-N 0 1 382.428 1.360 20 0 GDADMN COc1cc(C[N@H+]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000821716614 606728073 /nfs/dbraw/zinc/72/80/73/606728073.db2.gz BZGDLIJNBQKKLZ-CYBMUJFWSA-N 0 1 382.428 1.360 20 0 GDADMN COc1cc(C[N@@H+]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821716614 606728075 /nfs/dbraw/zinc/72/80/75/606728075.db2.gz BZGDLIJNBQKKLZ-CYBMUJFWSA-N 0 1 382.428 1.360 20 0 GDADMN COc1cc(C[N@H+]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821716614 606728077 /nfs/dbraw/zinc/72/80/77/606728077.db2.gz BZGDLIJNBQKKLZ-CYBMUJFWSA-N 0 1 382.428 1.360 20 0 GDADMN CN(C)C(=O)CCN1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821575499 606729470 /nfs/dbraw/zinc/72/94/70/606729470.db2.gz DXELSYVLQUZWTH-UHFFFAOYSA-N 0 1 397.405 1.486 20 0 GDADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821587260 606745600 /nfs/dbraw/zinc/74/56/00/606745600.db2.gz NVEQWRPANXXHJW-UHFFFAOYSA-N 0 1 376.442 1.212 20 0 GDADMN CCOC(=O)CCCCC[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821326250 606781205 /nfs/dbraw/zinc/78/12/05/606781205.db2.gz VWNPDBHCYKLBKS-CQSZACIVSA-N 0 1 388.476 1.291 20 0 GDADMN CCOC(=O)CCCCC[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821326250 606781206 /nfs/dbraw/zinc/78/12/06/606781206.db2.gz VWNPDBHCYKLBKS-CQSZACIVSA-N 0 1 388.476 1.291 20 0 GDADMN CCOC(=O)CCCCC[N@@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821326250 606781207 /nfs/dbraw/zinc/78/12/07/606781207.db2.gz VWNPDBHCYKLBKS-CQSZACIVSA-N 0 1 388.476 1.291 20 0 GDADMN CCOC(=O)CCCCC[N@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821326250 606781208 /nfs/dbraw/zinc/78/12/08/606781208.db2.gz VWNPDBHCYKLBKS-CQSZACIVSA-N 0 1 388.476 1.291 20 0 GDADMN Cc1csc(N2CCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)n1 ZINC000822414829 606860048 /nfs/dbraw/zinc/86/00/48/606860048.db2.gz WEEWYVABETZHQK-CZUORRHYSA-N 0 1 385.497 1.876 20 0 GDADMN C[C@H](c1ccccc1)N(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CC(N)=O ZINC000822005084 606883488 /nfs/dbraw/zinc/88/34/88/606883488.db2.gz ODNDWBMYZDMEFQ-CQSZACIVSA-N 0 1 393.451 1.744 20 0 GDADMN O=S(=O)(NCCCOc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572310 606885483 /nfs/dbraw/zinc/88/54/83/606885483.db2.gz GARCZCGMJWVVRQ-UHFFFAOYSA-N 0 1 395.391 1.892 20 0 GDADMN Cc1nc([C@@H](C)NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cs1 ZINC000822428093 606891176 /nfs/dbraw/zinc/89/11/76/606891176.db2.gz ZGDFKTSCDOEKCH-ZCFIWIBFSA-N 0 1 386.409 1.949 20 0 GDADMN COc1ccnc(N2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000821903362 606895436 /nfs/dbraw/zinc/89/54/36/606895436.db2.gz FUFNDNAXKQTYFV-UHFFFAOYSA-N 0 1 395.467 1.861 20 0 GDADMN CCCc1nnc([C@@H]2CN(CCCOc3cccc(-c4nn[nH]n4)c3)CCO2)[nH]1 ZINC000821143028 606904943 /nfs/dbraw/zinc/90/49/43/606904943.db2.gz OYKVGSVTBSDGHU-INIZCTEOSA-N 0 1 398.471 1.780 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(CCCOc3cccc(-c4nn[nH]n4)c3)CCO2)n1 ZINC000821143028 606904944 /nfs/dbraw/zinc/90/49/44/606904944.db2.gz OYKVGSVTBSDGHU-INIZCTEOSA-N 0 1 398.471 1.780 20 0 GDADMN COC(=O)C[C@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821657017 606921311 /nfs/dbraw/zinc/92/13/11/606921311.db2.gz FIDWJRVZOBRPDV-AWEZNQCLSA-N 0 1 386.456 1.100 20 0 GDADMN Nn1c(Sc2c3ccccc3nnc2-c2nn[nH]n2)nnc1C(F)(F)F ZINC000822912112 607028220 /nfs/dbraw/zinc/02/82/20/607028220.db2.gz NEABTNRVNXBQKB-UHFFFAOYSA-N 0 1 380.319 1.285 20 0 GDADMN COC(=O)[C@@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1C ZINC000530340212 649970292 /nfs/dbraw/zinc/97/02/92/649970292.db2.gz NEVYPCKRKLOSGP-GXFFZTMASA-N 0 1 380.242 1.840 20 0 GDADMN CCc1nc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000821505856 607065879 /nfs/dbraw/zinc/06/58/79/607065879.db2.gz UKAOXEGZUSGTDB-SMDDNHRTSA-N 0 1 397.443 1.391 20 0 GDADMN O=S(=O)(N[C@H]1CCOC2(CCC2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572836 607146539 /nfs/dbraw/zinc/14/65/39/607146539.db2.gz NRMMXWKCDGWMFH-JTQLQIEISA-N 0 1 385.396 1.525 20 0 GDADMN CN(Cc1ccccc1OC(F)(F)F)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821615834 607206301 /nfs/dbraw/zinc/20/63/01/607206301.db2.gz PZYNCTDZXGRCHT-UHFFFAOYSA-N 0 1 382.306 1.015 20 0 GDADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(Br)c1 ZINC000820334514 607206887 /nfs/dbraw/zinc/20/68/87/607206887.db2.gz MQYIRGBPNYVGKR-QMMMGPOBSA-N 0 1 377.206 1.098 20 0 GDADMN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000820706253 607207968 /nfs/dbraw/zinc/20/79/68/607207968.db2.gz YCXKKEOHZMRQKP-ZDUSSCGKSA-N 0 1 381.444 1.471 20 0 GDADMN C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820706253 607207969 /nfs/dbraw/zinc/20/79/69/607207969.db2.gz YCXKKEOHZMRQKP-ZDUSSCGKSA-N 0 1 381.444 1.471 20 0 GDADMN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820706253 607207970 /nfs/dbraw/zinc/20/79/70/607207970.db2.gz YCXKKEOHZMRQKP-ZDUSSCGKSA-N 0 1 381.444 1.471 20 0 GDADMN CC(C)Oc1ccc(CC[C@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000820254211 607208678 /nfs/dbraw/zinc/20/86/78/607208678.db2.gz NRNWJRFNQMCGDE-ZDUSSCGKSA-N 0 1 384.444 1.383 20 0 GDADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000823131971 607217149 /nfs/dbraw/zinc/21/71/49/607217149.db2.gz SSOSHIGFKVYLRY-UHFFFAOYSA-N 0 1 395.471 1.151 20 0 GDADMN Cc1sc(CCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)nc1-c1ccccc1 ZINC000822553111 607218946 /nfs/dbraw/zinc/21/89/46/607218946.db2.gz IPDMUFBCVQMSLH-UHFFFAOYSA-N 0 1 395.452 1.249 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCCNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824941670 607815346 /nfs/dbraw/zinc/81/53/46/607815346.db2.gz ZJVYELYFZJITJM-PBHICJAKSA-N 0 1 393.513 1.825 20 0 GDADMN CO[C@@H]1CC[C@H]2OCCN(CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)[C@H]2C1 ZINC000826145608 607858300 /nfs/dbraw/zinc/85/83/00/607858300.db2.gz JSKDFEUVHKOJSK-IXDOHACOSA-N 0 1 386.456 1.464 20 0 GDADMN O=C(NCCN1c2ccccc2NS1(=O)=O)c1cc(Br)c[nH]1 ZINC000530381466 649972067 /nfs/dbraw/zinc/97/20/67/649972067.db2.gz LFTUESSMFSWMGP-UHFFFAOYSA-N 0 1 385.243 1.684 20 0 GDADMN O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NC1CCN(C2CC2)CC1 ZINC000826486170 608001878 /nfs/dbraw/zinc/00/18/78/608001878.db2.gz RNHNWNZZGAXSGJ-UHFFFAOYSA-N 0 1 380.449 1.052 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826073595 608020290 /nfs/dbraw/zinc/02/02/90/608020290.db2.gz YJTRYWNRWFKJBJ-LLVKDONJSA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826073595 608020291 /nfs/dbraw/zinc/02/02/91/608020291.db2.gz YJTRYWNRWFKJBJ-LLVKDONJSA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C(C)(C)C)nn2C)c1-c1nnn[n-]1 ZINC000826077348 608020484 /nfs/dbraw/zinc/02/04/84/608020484.db2.gz FBCOQWYINFYIJL-UHFFFAOYSA-N 0 1 386.464 1.025 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C(C)(C)C)nn2C)c1-c1nn[n-]n1 ZINC000826077348 608020485 /nfs/dbraw/zinc/02/04/85/608020485.db2.gz FBCOQWYINFYIJL-UHFFFAOYSA-N 0 1 386.464 1.025 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3onc(C)c32)c1-c1nnn[n-]1 ZINC000826077433 608020611 /nfs/dbraw/zinc/02/06/11/608020611.db2.gz HYFIAVYQHWWJAX-UHFFFAOYSA-N 0 1 396.415 1.147 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3onc(C)c32)c1-c1nn[n-]n1 ZINC000826077433 608020612 /nfs/dbraw/zinc/02/06/12/608020612.db2.gz HYFIAVYQHWWJAX-UHFFFAOYSA-N 0 1 396.415 1.147 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OC)ccc2OC)c1-c1nnn[n-]1 ZINC000826077390 608022184 /nfs/dbraw/zinc/02/21/84/608022184.db2.gz GTODRKOGKRKZLV-UHFFFAOYSA-N 0 1 386.416 1.011 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(OC)ccc2OC)c1-c1nn[n-]n1 ZINC000826077390 608022185 /nfs/dbraw/zinc/02/21/85/608022185.db2.gz GTODRKOGKRKZLV-UHFFFAOYSA-N 0 1 386.416 1.011 20 0 GDADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCN(C)[C@@H](C)C1 ZINC000824978943 608041756 /nfs/dbraw/zinc/04/17/56/608041756.db2.gz YNZCCUFPZRYBQK-QWRGUYRKSA-N 0 1 375.502 1.380 20 0 GDADMN C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824899327 608042962 /nfs/dbraw/zinc/04/29/62/608042962.db2.gz 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ZINC000822015651 945920076 /nfs/dbraw/zinc/92/00/76/945920076.db2.gz MSAUCUYXMFNMAW-UHFFFAOYSA-N 0 1 398.475 1.589 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(F)c(Cl)c1 ZINC001571290826 946058056 /nfs/dbraw/zinc/05/80/56/946058056.db2.gz QCTMYIPCPVDZTQ-SNVBAGLBSA-N 0 1 388.794 1.458 20 0 GDADMN Cc1cc(N2CC[C@H](N(C)C(=O)C3(F)CCOCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571293452 946105232 /nfs/dbraw/zinc/10/52/32/946105232.db2.gz IVBIADRYASWTLT-ZDUSSCGKSA-N 0 1 389.435 1.126 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](Cc3cnn(C)c3)C2)c(-c2nn[nH]n2)c1C ZINC000822541013 946119415 /nfs/dbraw/zinc/11/94/15/946119415.db2.gz KODMUTAITSSAHJ-JSGCOSHPSA-N 0 1 398.471 1.702 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)C1(F)CCOCC1 ZINC001571293954 946120793 /nfs/dbraw/zinc/12/07/93/946120793.db2.gz WXHVQQQAGXATHG-CYBMUJFWSA-N 0 1 389.435 1.256 20 0 GDADMN Cc1cc(C(F)F)oc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571294905 946147862 /nfs/dbraw/zinc/14/78/62/946147862.db2.gz PSNVXYNBPWTCAP-DTORHVGOSA-N 0 1 390.354 1.291 20 0 GDADMN O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571297852 946198940 /nfs/dbraw/zinc/19/89/40/946198940.db2.gz BGYRQFQBJCRINR-OWCLPIDISA-N 0 1 390.451 1.285 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1n[nH]cc1F ZINC001571298340 946213660 /nfs/dbraw/zinc/21/36/60/946213660.db2.gz FBALXNSXKFWVBK-NXEZZACHSA-N 0 1 390.448 1.621 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1n[nH]cc1F ZINC001571298340 946213671 /nfs/dbraw/zinc/21/36/71/946213671.db2.gz FBALXNSXKFWVBK-NXEZZACHSA-N 0 1 390.448 1.621 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1=COCCO1 ZINC001571298436 946215415 /nfs/dbraw/zinc/21/54/15/946215415.db2.gz NUCMGAXZMNJUQK-VXGBXAGGSA-N 0 1 390.469 1.333 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1=COCCO1 ZINC001571298436 946215428 /nfs/dbraw/zinc/21/54/28/946215428.db2.gz NUCMGAXZMNJUQK-VXGBXAGGSA-N 0 1 390.469 1.333 20 0 GDADMN Cc1cc(C(=O)N2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)CC2)ccn1 ZINC001571299039 946236948 /nfs/dbraw/zinc/23/69/48/946236948.db2.gz HTXMVDXGYBPTIH-UHFFFAOYSA-N 0 1 390.860 1.642 20 0 GDADMN O=C(CCN1CCN(c2cccc(O)c2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822969540 946241212 /nfs/dbraw/zinc/24/12/12/946241212.db2.gz PZAQYUAZIBMUFA-UHFFFAOYSA-N 0 1 393.451 1.723 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001571299625 946255787 /nfs/dbraw/zinc/25/57/87/946255787.db2.gz NRJAFWYPFQCNBF-CQSZACIVSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001571299625 946255796 /nfs/dbraw/zinc/25/57/96/946255796.db2.gz NRJAFWYPFQCNBF-CQSZACIVSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001571299625 946255807 /nfs/dbraw/zinc/25/58/07/946255807.db2.gz NRJAFWYPFQCNBF-CQSZACIVSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001571299625 946255816 /nfs/dbraw/zinc/25/58/16/946255816.db2.gz NRJAFWYPFQCNBF-CQSZACIVSA-N 0 1 390.513 1.920 20 0 GDADMN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCCO1 ZINC001571299863 946264151 /nfs/dbraw/zinc/26/41/51/946264151.db2.gz PSNVMFIEVSXOEM-DOMZBBRYSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@@H]1CCCO1 ZINC001571299863 946264161 /nfs/dbraw/zinc/26/41/61/946264161.db2.gz PSNVMFIEVSXOEM-DOMZBBRYSA-N 0 1 390.513 1.824 20 0 GDADMN CC(C)(C(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)C(F)F ZINC001571302202 946294454 /nfs/dbraw/zinc/29/44/54/946294454.db2.gz REQVDEUWIZQEFJ-SFHVURJKSA-N 0 1 391.426 1.982 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)nn1 ZINC001571303008 946321174 /nfs/dbraw/zinc/32/11/74/946321174.db2.gz JFIVMAKLJBUQEC-INIZCTEOSA-N 0 1 391.439 1.149 20 0 GDADMN Cc1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)n[nH]1 ZINC001571303378 946334103 /nfs/dbraw/zinc/33/41/03/946334103.db2.gz LMZJQYMMIKQTIA-OAHLLOKOSA-N 0 1 391.432 1.953 20 0 GDADMN COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccsc1-c1nn[nH]n1)CC2 ZINC001571303478 946337842 /nfs/dbraw/zinc/33/78/42/946337842.db2.gz LWPXXHJFHHTCRF-UHFFFAOYSA-N 0 1 391.434 1.466 20 0 GDADMN COc1cc(C)ccc1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001571303890 946350634 /nfs/dbraw/zinc/35/06/34/946350634.db2.gz SCCYPWPZUHVSCP-HWWDLCQESA-N 0 1 391.435 1.443 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCN1c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571305569 946368092 /nfs/dbraw/zinc/36/80/92/946368092.db2.gz FNFMXRNJUDJCOU-SFYZADRCSA-N 0 1 391.848 1.164 20 0 GDADMN CN(C[C@@H]1CCCN1C(=O)C1(C(C)(F)F)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571307574 946425036 /nfs/dbraw/zinc/42/50/36/946425036.db2.gz FJOLTPORWNXQHD-NSHDSACASA-N 0 1 392.414 1.519 20 0 GDADMN O=C([C@H]1CCC1(F)F)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571308083 946429451 /nfs/dbraw/zinc/42/94/51/946429451.db2.gz LXJZKBZNFHFMOQ-NWDGAFQWSA-N 0 1 392.414 1.165 20 0 GDADMN O=C([C@H]1CCC1(F)F)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571308083 946429455 /nfs/dbraw/zinc/42/94/55/946429455.db2.gz LXJZKBZNFHFMOQ-NWDGAFQWSA-N 0 1 392.414 1.165 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001571308045 946429733 /nfs/dbraw/zinc/42/97/33/946429733.db2.gz KQGPPZXXBFWPDV-KBPBESRZSA-N 0 1 392.410 1.563 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001571308045 946429740 /nfs/dbraw/zinc/42/97/40/946429740.db2.gz KQGPPZXXBFWPDV-KBPBESRZSA-N 0 1 392.410 1.563 20 0 GDADMN O=C([C@H]1CCC(F)(F)C1)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571309369 946442074 /nfs/dbraw/zinc/44/20/74/946442074.db2.gz YKDXPOQYKWXCFX-RYUDHWBXSA-N 0 1 392.414 1.307 20 0 GDADMN O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccc2c(c1)COC2 ZINC001571309556 946447022 /nfs/dbraw/zinc/44/70/22/946447022.db2.gz DDPIUQUEWXDUOQ-OAHLLOKOSA-N 0 1 392.423 1.086 20 0 GDADMN Cc1ccc(C)c(CC(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571314919 946544204 /nfs/dbraw/zinc/54/42/04/946544204.db2.gz DNWZLMIUNYOFMI-INIZCTEOSA-N 0 1 392.467 1.553 20 0 GDADMN Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2cccnc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314780 946544326 /nfs/dbraw/zinc/54/43/26/946544326.db2.gz CRJRPABLBRKSJV-RDJZCZTQSA-N 0 1 392.467 1.327 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)c(C)c1 ZINC001571314996 946547258 /nfs/dbraw/zinc/54/72/58/946547258.db2.gz GAWDBNZIOOXIGV-ZBFHGGJFSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cc(C)nc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571315642 946555745 /nfs/dbraw/zinc/55/57/45/946555745.db2.gz MVRMKHDBXCOKNY-GASCZTMLSA-N 0 1 392.467 1.624 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)Cc3ccncc3C)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316274 946570935 /nfs/dbraw/zinc/57/09/35/946570935.db2.gz YEQBGFBTZPNLIC-RHSMWYFYSA-N 0 1 392.467 1.339 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571316336 946574377 /nfs/dbraw/zinc/57/43/77/946574377.db2.gz ACIKGDNWFXLXGU-JKSUJKDBSA-N 0 1 392.467 1.400 20 0 GDADMN Cc1cnc(C(=O)N2C[C@@H](CNc3ccncc3-c3nn[nH]n3)[C@H](C)C2)c(C)c1 ZINC001571317223 946605013 /nfs/dbraw/zinc/60/50/13/946605013.db2.gz YHDXQURTLXXUGM-HUUCEWRRSA-N 0 1 392.467 1.516 20 0 GDADMN CC[C@@H](C(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nn[n-]n1)[NH+](C)C ZINC001571317511 946611551 /nfs/dbraw/zinc/61/15/51/946611551.db2.gz KNCLYADIJCKOKV-STQMWFEESA-N 0 1 392.533 1.399 20 0 GDADMN C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317933 946624179 /nfs/dbraw/zinc/62/41/79/946624179.db2.gz ZFJHXKVVYBKOPS-PSASIEDQSA-N 0 1 392.876 1.806 20 0 GDADMN CCC(=O)N1CCCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825034011 947051844 /nfs/dbraw/zinc/05/18/44/947051844.db2.gz CFYNDQAQQPIEIR-UHFFFAOYSA-N 0 1 394.483 1.712 20 0 GDADMN CC[C@](C)(CC(=O)OC)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825043384 947059310 /nfs/dbraw/zinc/05/93/10/947059310.db2.gz GUJZJNWYIJZNNF-OAHLLOKOSA-N 0 1 380.430 1.151 20 0 GDADMN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825191418 947112980 /nfs/dbraw/zinc/11/29/80/947112980.db2.gz BQVLPURDTVMBMA-CYBMUJFWSA-N 0 1 375.477 1.722 20 0 GDADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825191418 947112985 /nfs/dbraw/zinc/11/29/85/947112985.db2.gz BQVLPURDTVMBMA-CYBMUJFWSA-N 0 1 375.477 1.722 20 0 GDADMN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825191418 947112991 /nfs/dbraw/zinc/11/29/91/947112991.db2.gz BQVLPURDTVMBMA-CYBMUJFWSA-N 0 1 375.477 1.722 20 0 GDADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825191418 947112997 /nfs/dbraw/zinc/11/29/97/947112997.db2.gz BQVLPURDTVMBMA-CYBMUJFWSA-N 0 1 375.477 1.722 20 0 GDADMN C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586582 947291849 /nfs/dbraw/zinc/29/18/49/947291849.db2.gz REXXXMZNCJTFGO-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586582 947291856 /nfs/dbraw/zinc/29/18/56/947291856.db2.gz REXXXMZNCJTFGO-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN CCn1nccc1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825806952 947338002 /nfs/dbraw/zinc/33/80/02/947338002.db2.gz KYXIGCNHLQAXFO-UHFFFAOYSA-N 0 1 398.431 1.303 20 0 GDADMN C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573593772 947377177 /nfs/dbraw/zinc/37/71/77/947377177.db2.gz VSNODQDEBTVOOD-CZUORRHYSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573597795 947439947 /nfs/dbraw/zinc/43/99/47/947439947.db2.gz ONOZANIMIBCNGT-VXGBXAGGSA-N 0 1 380.518 1.519 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573597795 947439954 /nfs/dbraw/zinc/43/99/54/947439954.db2.gz ONOZANIMIBCNGT-VXGBXAGGSA-N 0 1 380.518 1.519 20 0 GDADMN COCCN1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159594 947503163 /nfs/dbraw/zinc/50/31/63/947503163.db2.gz KXVXAUQWLQGNQZ-UHFFFAOYSA-N 0 1 382.472 1.031 20 0 GDADMN C=Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573350352 947594359 /nfs/dbraw/zinc/59/43/59/947594359.db2.gz AMTYPEKEGRAQOW-OAHLLOKOSA-N 0 1 376.424 1.438 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573618399 947649861 /nfs/dbraw/zinc/64/98/61/947649861.db2.gz RWEOJJGPJCGTND-NWDGAFQWSA-N 0 1 384.469 1.204 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618940 947656915 /nfs/dbraw/zinc/65/69/15/947656915.db2.gz UCKZRCGLGDLCDB-VXGBXAGGSA-N 0 1 379.415 1.838 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618938 947657032 /nfs/dbraw/zinc/65/70/32/947657032.db2.gz UCKZRCGLGDLCDB-NWDGAFQWSA-N 0 1 379.415 1.838 20 0 GDADMN C[C@H](C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C(C)(C)C ZINC001573628013 947742555 /nfs/dbraw/zinc/74/25/55/947742555.db2.gz FBRBETJILGWGMR-YJYMSZOUSA-N 0 1 384.488 1.768 20 0 GDADMN CC(=O)CCCC(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573367270 947758478 /nfs/dbraw/zinc/75/84/78/947758478.db2.gz BGAKSEUQQNAQTG-UHFFFAOYSA-N 0 1 387.488 1.648 20 0 GDADMN Cc1cc(C2CCN(S(=O)(=O)Cc3cccc(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC000826265926 947769455 /nfs/dbraw/zinc/76/94/55/947769455.db2.gz UACUBRXLQXSVHF-UHFFFAOYSA-N 0 1 387.469 1.608 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573372792 947782384 /nfs/dbraw/zinc/78/23/84/947782384.db2.gz CMNPIEJYSPHLMF-ZIAGYGMSSA-N 0 1 386.460 1.019 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573631807 947805579 /nfs/dbraw/zinc/80/55/79/947805579.db2.gz WZFXMAKHGDETCN-HUUCEWRRSA-N 0 1 380.456 1.397 20 0 GDADMN C[C@H](C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573637423 947813425 /nfs/dbraw/zinc/81/34/25/947813425.db2.gz CGLPXXNJVQNCMZ-ZIAGYGMSSA-N 0 1 387.488 1.395 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573375108 947815842 /nfs/dbraw/zinc/81/58/42/947815842.db2.gz QURLBTWVARSHIK-WMLDXEAASA-N 0 1 385.472 1.624 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCCNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573637630 947818735 /nfs/dbraw/zinc/81/87/35/947818735.db2.gz LGORZUDXGUMXAY-IJEWVQPXSA-N 0 1 398.515 1.944 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573376292 947833887 /nfs/dbraw/zinc/83/38/87/947833887.db2.gz XNGBGVFYCKABRA-OAHLLOKOSA-N 0 1 385.472 1.614 20 0 GDADMN CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573376327 947834958 /nfs/dbraw/zinc/83/49/58/947834958.db2.gz YTLRGNARNPJQNM-HNNXBMFYSA-N 0 1 385.472 1.626 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573376956 947846545 /nfs/dbraw/zinc/84/65/45/947846545.db2.gz GLGRBCRIXBTQBN-HIFRSBDPSA-N 0 1 385.472 1.482 20 0 GDADMN CC(=O)CCCC(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CCC1 ZINC001573380862 947864924 /nfs/dbraw/zinc/86/49/24/947864924.db2.gz IQZBIUPYVFBYSU-UHFFFAOYSA-N 0 1 388.447 1.894 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573382718 947885212 /nfs/dbraw/zinc/88/52/12/947885212.db2.gz JSYWNHLZYQHOGF-JOCQHMNTSA-N 0 1 376.486 1.672 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573382718 947885223 /nfs/dbraw/zinc/88/52/23/947885223.db2.gz JSYWNHLZYQHOGF-JOCQHMNTSA-N 0 1 376.486 1.672 20 0 GDADMN C[C@H](C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573651032 947918087 /nfs/dbraw/zinc/91/80/87/947918087.db2.gz IMABSOAQNXWYFV-NRYVIMAVSA-N 0 1 380.821 1.356 20 0 GDADMN C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1)C1CC1 ZINC001573655223 947976347 /nfs/dbraw/zinc/97/63/47/947976347.db2.gz WNUCFHDREUIIRW-DOMZBBRYSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CCC1 ZINC001573661756 948019704 /nfs/dbraw/zinc/01/97/04/948019704.db2.gz AFZLZFTXLSYKHR-BBEJJTJUSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@H](C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccs1 ZINC001573675239 948120612 /nfs/dbraw/zinc/12/06/12/948120612.db2.gz PIPDBRBFPWCFIB-NSHDSACASA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CCC1 ZINC001573680503 948180626 /nfs/dbraw/zinc/18/06/26/948180626.db2.gz OFKCRNCVFWFZBZ-IONNQARKSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573691075 948235192 /nfs/dbraw/zinc/23/51/92/948235192.db2.gz HIIOCDBLDLBGOH-YPMHNXCESA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573691075 948235198 /nfs/dbraw/zinc/23/51/98/948235198.db2.gz HIIOCDBLDLBGOH-YPMHNXCESA-N 0 1 378.502 1.321 20 0 GDADMN CC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001573439090 948242804 /nfs/dbraw/zinc/24/28/04/948242804.db2.gz IOXDBUOCNMNGND-ZDUSSCGKSA-N 0 1 376.486 1.435 20 0 GDADMN CC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001573439090 948242812 /nfs/dbraw/zinc/24/28/12/948242812.db2.gz IOXDBUOCNMNGND-ZDUSSCGKSA-N 0 1 376.486 1.435 20 0 GDADMN O=C(CN1CC[C@H](COc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410641 948247538 /nfs/dbraw/zinc/24/75/38/948247538.db2.gz TYHOHLMWRVRNJV-KRWDZBQOSA-N 0 1 392.463 1.884 20 0 GDADMN C[C@H](C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)[C@H]1CCCO1 ZINC001573692428 948262963 /nfs/dbraw/zinc/26/29/63/948262963.db2.gz PQPADTKDAGZORD-BLLLJJGKSA-N 0 1 388.447 1.559 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCOCc1ccc(Cl)cc1Cl ZINC000826425729 948275004 /nfs/dbraw/zinc/27/50/04/948275004.db2.gz QNMCAWKURCNDDS-UHFFFAOYSA-N 0 1 397.226 1.098 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC001573694432 948292959 /nfs/dbraw/zinc/29/29/59/948292959.db2.gz VMCPHBSOSISXSG-MNOVXSKESA-N 0 1 392.510 1.360 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC001573694432 948292971 /nfs/dbraw/zinc/29/29/71/948292971.db2.gz VMCPHBSOSISXSG-MNOVXSKESA-N 0 1 392.510 1.360 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@H](C)C(=O)[O-] ZINC001602757135 971470214 /nfs/dbraw/zinc/47/02/14/971470214.db2.gz BKLOTRKPRCYKEO-ZBFHGGJFSA-N 0 1 385.505 1.935 20 0 GDADMN C[C@@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573704529 948376804 /nfs/dbraw/zinc/37/68/04/948376804.db2.gz BOXFPSYHYNMPBE-JTQLQIEISA-N 0 1 383.378 1.793 20 0 GDADMN O=C1[C@@H](N2CCC[C@@H](n3ccnc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476417 948382121 /nfs/dbraw/zinc/38/21/21/948382121.db2.gz HJSKMMVJTSJZOS-MSOLQXFVSA-N 0 1 392.467 1.896 20 0 GDADMN C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573705431 948400801 /nfs/dbraw/zinc/40/08/01/948400801.db2.gz FQBFHEYIIOJCND-SNVBAGLBSA-N 0 1 380.403 1.068 20 0 GDADMN C[C@H](C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573706152 948413298 /nfs/dbraw/zinc/41/32/98/948413298.db2.gz YZQOFIRGHLEFJP-OPFPJEHXSA-N 0 1 378.440 1.189 20 0 GDADMN C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573716288 948498365 /nfs/dbraw/zinc/49/83/65/948498365.db2.gz GACBDTPDILKCCJ-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573716288 948498370 /nfs/dbraw/zinc/49/83/70/948498370.db2.gz GACBDTPDILKCCJ-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1cccnc1 ZINC001573727946 948557206 /nfs/dbraw/zinc/55/72/06/948557206.db2.gz NNTGRGAGYFFSNT-UMVBOHGHSA-N 0 1 393.455 1.044 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573732118 948600396 /nfs/dbraw/zinc/60/03/96/948600396.db2.gz LITCMVAPDLJJDH-QWRGUYRKSA-N 0 1 387.394 1.682 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CCCC1 ZINC001573740659 948640139 /nfs/dbraw/zinc/64/01/39/948640139.db2.gz MGNPNQNCZRJIRX-MORSLUCNSA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)C1CCCC1 ZINC001573741581 948655235 /nfs/dbraw/zinc/65/52/35/948655235.db2.gz ZKVXFSRWOBVAGV-VHSSKADRSA-N 0 1 384.484 1.354 20 0 GDADMN CC(C)[C@H](NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1)c1nncn1C ZINC001574078568 948758161 /nfs/dbraw/zinc/75/81/61/948758161.db2.gz DYPJMVBATGJKOY-LURJTMIESA-N 0 1 382.841 1.624 20 0 GDADMN C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574680387 948804584 /nfs/dbraw/zinc/80/45/84/948804584.db2.gz GSHYYAZRNOVUAQ-AWEZNQCLSA-N 0 1 387.492 1.230 20 0 GDADMN C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574680387 948804596 /nfs/dbraw/zinc/80/45/96/948804596.db2.gz GSHYYAZRNOVUAQ-AWEZNQCLSA-N 0 1 387.492 1.230 20 0 GDADMN CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420858 948806684 /nfs/dbraw/zinc/80/66/84/948806684.db2.gz CBIJCUFVZGDFAE-LBPRGKRZSA-N 0 1 382.428 1.772 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21)C1CC1 ZINC001573756692 948819402 /nfs/dbraw/zinc/81/94/02/948819402.db2.gz UJRILFCDLMONBT-PRQTWWFRSA-N 0 1 379.877 1.574 20 0 GDADMN CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574082030 948845799 /nfs/dbraw/zinc/84/57/99/948845799.db2.gz ZPENFTAOWAOZOP-YDHLFZDLSA-N 0 1 390.467 1.407 20 0 GDADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CCc1cnc[nH]1 ZINC001574684382 948863054 /nfs/dbraw/zinc/86/30/54/948863054.db2.gz FARBGIQNLTWTNS-SNVBAGLBSA-N 0 1 389.851 1.578 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573764279 948884368 /nfs/dbraw/zinc/88/43/68/948884368.db2.gz LLHPYPJYFARGNE-KGLIPLIRSA-N 0 1 382.472 1.663 20 0 GDADMN CC(C)(C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C1CC1 ZINC001573764343 948884626 /nfs/dbraw/zinc/88/46/26/948884626.db2.gz NLIVESRMZBXEMX-IBGZPJMESA-N 0 1 382.472 1.522 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573765189 948901267 /nfs/dbraw/zinc/90/12/67/948901267.db2.gz WDTYJIXTIJQQIJ-HNNXBMFYSA-N 0 1 392.467 1.459 20 0 GDADMN CC(C)c1ncsc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574432528 948935599 /nfs/dbraw/zinc/93/55/99/948935599.db2.gz LXAWNMGYVSOILQ-SNVBAGLBSA-N 0 1 387.473 1.231 20 0 GDADMN C[C@H](CNC(=O)CCn1ccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574923095 948936126 /nfs/dbraw/zinc/93/61/26/948936126.db2.gz DHGNDUYTAFIBFM-MRVPVSSYSA-N 0 1 381.853 1.180 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574089011 948940950 /nfs/dbraw/zinc/94/09/50/948940950.db2.gz FQRVHJNIGJKSNR-IMSKVBIZSA-N 0 1 384.459 1.844 20 0 GDADMN CC(F)(F)CCC(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001575236930 948941831 /nfs/dbraw/zinc/94/18/31/948941831.db2.gz BQRKTRKQJWCZGA-GFCCVEGCSA-N 0 1 386.378 1.008 20 0 GDADMN CC(C)c1ncsc1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574433146 948950352 /nfs/dbraw/zinc/95/03/52/948950352.db2.gz IWGSQFHMBQTDNF-UHFFFAOYSA-N 0 1 385.457 1.199 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091917 949041042 /nfs/dbraw/zinc/04/10/42/949041042.db2.gz MUHGUJOIWIYIDT-GJZGRUSLSA-N 0 1 384.488 1.411 20 0 GDADMN CC(C)(C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001573775501 949044738 /nfs/dbraw/zinc/04/47/38/949044738.db2.gz XWJLEFNLGGCMFQ-CQSZACIVSA-N 0 1 387.488 1.179 20 0 GDADMN CC(C)c1occc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441730 949071214 /nfs/dbraw/zinc/07/12/14/949071214.db2.gz UZWVEQUDUWADGG-UHFFFAOYSA-N 0 1 382.428 1.510 20 0 GDADMN C[C@H](CNC(=O)CN1CCc2ccccc21)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574929006 949074391 /nfs/dbraw/zinc/07/43/91/949074391.db2.gz VIUVCEUCLWPTDK-CQSZACIVSA-N 0 1 392.467 1.265 20 0 GDADMN CC(C)(C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573781612 949107399 /nfs/dbraw/zinc/10/73/99/949107399.db2.gz KRIHZVHQBDFJKG-UHFFFAOYSA-N 0 1 384.488 1.603 20 0 GDADMN CC(C)(C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001573781481 949108484 /nfs/dbraw/zinc/10/84/84/949108484.db2.gz HSDVXQILZPOBSW-UHFFFAOYSA-N 0 1 392.467 1.720 20 0 GDADMN C[C@H](CNC(=O)COCC1CCCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574931173 949114100 /nfs/dbraw/zinc/11/41/00/949114100.db2.gz OFQGTRMZEBUZAJ-CYBMUJFWSA-N 0 1 390.463 1.807 20 0 GDADMN C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575250823 949118471 /nfs/dbraw/zinc/11/84/71/949118471.db2.gz HRMSWARKGYHXSC-UWVGGRQHSA-N 0 1 383.378 1.721 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574446200 949124631 /nfs/dbraw/zinc/12/46/31/949124631.db2.gz JVGKYDBMJPUIMU-NSHDSACASA-N 0 1 390.469 1.525 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574446200 949124644 /nfs/dbraw/zinc/12/46/44/949124644.db2.gz JVGKYDBMJPUIMU-NSHDSACASA-N 0 1 390.469 1.525 20 0 GDADMN CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001574446606 949132325 /nfs/dbraw/zinc/13/23/25/949132325.db2.gz STCJMDYAKOJIEW-DGCLKSJQSA-N 0 1 382.428 1.628 20 0 GDADMN C[C@@H](NC(=O)[C@@]1(F)CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575251986 949153149 /nfs/dbraw/zinc/15/31/49/949153149.db2.gz DFNDSUQUSXAIDH-ADLMAVQZSA-N 0 1 392.410 1.071 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC1 ZINC001573786968 949160180 /nfs/dbraw/zinc/16/01/80/949160180.db2.gz GWSULOMBFXKSLO-QLPKVWCKSA-N 0 1 384.459 1.988 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574447525 949160594 /nfs/dbraw/zinc/16/05/94/949160594.db2.gz RKKTXNFEENVHCK-HNNXBMFYSA-N 0 1 381.440 1.982 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)CCc2ccccn2)CC1 ZINC001575854101 949227676 /nfs/dbraw/zinc/22/76/76/949227676.db2.gz SQBQSLQAZHXULQ-UHFFFAOYSA-N 0 1 392.467 1.504 20 0 GDADMN C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576151508 949228664 /nfs/dbraw/zinc/22/86/64/949228664.db2.gz GCRIOWRJWBYOCH-APIJFGDWSA-N 0 1 385.472 1.338 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)Cc2ccccc2)CC1 ZINC001575854408 949233059 /nfs/dbraw/zinc/23/30/59/949233059.db2.gz VHOPEHJWOHQRFJ-UHFFFAOYSA-N 0 1 378.440 1.114 20 0 GDADMN C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576152539 949254057 /nfs/dbraw/zinc/25/40/57/949254057.db2.gz JJWWKIZDUIWCSO-BFUOFWGJSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574940377 949262504 /nfs/dbraw/zinc/26/25/04/949262504.db2.gz DHWCVTDHHNUIRJ-ZDUSSCGKSA-N 0 1 377.452 1.332 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001589605879 949264154 /nfs/dbraw/zinc/26/41/54/949264154.db2.gz YNVJRCWGTXHHDH-RHSMWYFYSA-N 0 1 390.546 1.565 20 0 GDADMN CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001574452902 949274340 /nfs/dbraw/zinc/27/43/40/949274340.db2.gz QQQOUPANCGDBQZ-CQSZACIVSA-N 0 1 381.444 1.178 20 0 GDADMN CC1(c2cccc(CNS(=O)(=O)c3ccc(-c4nn[nH]n4)o3)c2)OCCO1 ZINC001575857771 949274173 /nfs/dbraw/zinc/27/41/73/949274173.db2.gz VNYWEYNZRGPVRZ-UHFFFAOYSA-N 0 1 391.409 1.158 20 0 GDADMN C[C@]1(c2cccc(C[NH2+]Cc3csc(-c4nnn[n-]4)c3)c2)NC(=O)NC1=O ZINC001575857841 949277971 /nfs/dbraw/zinc/27/79/71/949277971.db2.gz WQJFEPKQJGZMIT-QGZVFWFLSA-N 0 1 383.437 1.273 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703353 949324601 /nfs/dbraw/zinc/32/46/01/949324601.db2.gz UTUBPJNSKQDAGU-KPZWWZAWSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](CNC(=O)Cc1cc[nH]n1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942041 949326136 /nfs/dbraw/zinc/32/61/36/949326136.db2.gz JKAKBUNKZAHSHY-SSDOTTSWSA-N 0 1 381.853 1.107 20 0 GDADMN C[C@@H](CNC(=O)Cc1cc[nH]n1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942042 949327916 /nfs/dbraw/zinc/32/79/16/949327916.db2.gz JKAKBUNKZAHSHY-ZETCQYMHSA-N 0 1 381.853 1.107 20 0 GDADMN C[C@H](c1ncccn1)N1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001575525207 949339302 /nfs/dbraw/zinc/33/93/02/949339302.db2.gz WPHCECQEJIXCAT-YRGRVCCFSA-N 0 1 381.444 1.044 20 0 GDADMN C[C@H](CN(C)C(=O)C1=COCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703671 949344089 /nfs/dbraw/zinc/34/40/89/949344089.db2.gz FUCIMOISZCZPJT-SSDOTTSWSA-N 0 1 385.837 1.124 20 0 GDADMN CC(C)n1ccc(CNC[C@H]2CCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574459790 949362539 /nfs/dbraw/zinc/36/25/39/949362539.db2.gz KREZWJJYCDFCPX-CQSZACIVSA-N 0 1 383.460 1.367 20 0 GDADMN C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576154910 949371509 /nfs/dbraw/zinc/37/15/09/949371509.db2.gz RNEOGYHTPYNAJI-ZIAGYGMSSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575866083 949393587 /nfs/dbraw/zinc/39/35/87/949393587.db2.gz CNTHKTYERKVHJO-SMDDNHRTSA-N 0 1 382.472 1.566 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263419 949395933 /nfs/dbraw/zinc/39/59/33/949395933.db2.gz GXQHNLJFPUMWMM-LLVKDONJSA-N 0 1 376.436 1.103 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574704632 949399138 /nfs/dbraw/zinc/39/91/38/949399138.db2.gz DRWUEXXERCEQCT-KGLIPLIRSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574704632 949399158 /nfs/dbraw/zinc/39/91/58/949399158.db2.gz DRWUEXXERCEQCT-KGLIPLIRSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574704632 949399179 /nfs/dbraw/zinc/39/91/79/949399179.db2.gz DRWUEXXERCEQCT-KGLIPLIRSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574704632 949399199 /nfs/dbraw/zinc/39/91/99/949399199.db2.gz DRWUEXXERCEQCT-KGLIPLIRSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574704875 949408477 /nfs/dbraw/zinc/40/84/77/949408477.db2.gz FKHBWPQYUWMCOR-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574704875 949408485 /nfs/dbraw/zinc/40/84/85/949408485.db2.gz FKHBWPQYUWMCOR-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574704875 949408496 /nfs/dbraw/zinc/40/84/96/949408496.db2.gz FKHBWPQYUWMCOR-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574704875 949408503 /nfs/dbraw/zinc/40/85/03/949408503.db2.gz FKHBWPQYUWMCOR-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705636 949433887 /nfs/dbraw/zinc/43/38/87/949433887.db2.gz JLEZUSPVHHUHHO-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705636 949433898 /nfs/dbraw/zinc/43/38/98/949433898.db2.gz JLEZUSPVHHUHHO-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706848 949462539 /nfs/dbraw/zinc/46/25/39/949462539.db2.gz MYNRYWLTFVFOGO-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706848 949462558 /nfs/dbraw/zinc/46/25/58/949462558.db2.gz MYNRYWLTFVFOGO-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706847 949463598 /nfs/dbraw/zinc/46/35/98/949463598.db2.gz MYNRYWLTFVFOGO-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706847 949463614 /nfs/dbraw/zinc/46/36/14/949463614.db2.gz MYNRYWLTFVFOGO-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574707855 949481268 /nfs/dbraw/zinc/48/12/68/949481268.db2.gz RDSWFWQWGLPHDA-CJNGLKHVSA-N 0 1 392.467 1.458 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574470411 949499360 /nfs/dbraw/zinc/49/93/60/949499360.db2.gz PNKVZFNRSBHISW-HNNXBMFYSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)c1nc[nH]n1 ZINC001576160037 949525273 /nfs/dbraw/zinc/52/52/73/949525273.db2.gz YWHDLARZPUIDNB-GTNSWQLSSA-N 0 1 382.432 1.171 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)c1ncn[nH]1 ZINC001576160037 949525282 /nfs/dbraw/zinc/52/52/82/949525282.db2.gz YWHDLARZPUIDNB-GTNSWQLSSA-N 0 1 382.432 1.171 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCC(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001576163597 949539909 /nfs/dbraw/zinc/53/99/09/949539909.db2.gz CGMHNLWYUISMQM-DYVFJYSZSA-N 0 1 390.463 1.807 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269728 949562187 /nfs/dbraw/zinc/56/21/87/949562187.db2.gz WONXZFGMPHHJBW-GXTWGEPZSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575873664 949585539 /nfs/dbraw/zinc/58/55/39/949585539.db2.gz BJRTWKVXSMSHTB-IUODEOHRSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880210 949698034 /nfs/dbraw/zinc/69/80/34/949698034.db2.gz SGECLPFCMCRVOI-GXTWGEPZSA-N 0 1 382.428 1.356 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880248 949698361 /nfs/dbraw/zinc/69/83/61/949698361.db2.gz SWDGLKFWXOJMMY-OCCSQVGLSA-N 0 1 382.428 1.356 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(C(F)F)CC1 ZINC001573817973 949709210 /nfs/dbraw/zinc/70/92/10/949709210.db2.gz CSCVZXWYAKWVBU-GFCCVEGCSA-N 0 1 379.415 1.672 20 0 GDADMN C[C@@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001574479345 949732060 /nfs/dbraw/zinc/73/20/60/949732060.db2.gz DUYXSPZTJMOXQD-JTQLQIEISA-N 0 1 383.378 1.675 20 0 GDADMN C[C@H]1CCCN(C(=O)CC2CCCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170905 949741472 /nfs/dbraw/zinc/74/14/72/949741472.db2.gz OHLNPERTZVEFMP-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574717725 949741995 /nfs/dbraw/zinc/74/19/95/949741995.db2.gz WULKISDYRWEJGR-KGLIPLIRSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)CCOC1 ZINC001575559350 949754284 /nfs/dbraw/zinc/75/42/84/949754284.db2.gz BHFURIHZSKRENJ-QAPCUYQASA-N 0 1 383.456 1.163 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574137502 949761088 /nfs/dbraw/zinc/76/10/88/949761088.db2.gz VAONAKGKXRHAOV-LIRRHRJNSA-N 0 1 386.504 1.801 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576171456 949765710 /nfs/dbraw/zinc/76/57/10/949765710.db2.gz QPJJQHOKBDHQIY-UONOGXRCSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576171456 949765719 /nfs/dbraw/zinc/76/57/19/949765719.db2.gz QPJJQHOKBDHQIY-UONOGXRCSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574481636 949794715 /nfs/dbraw/zinc/79/47/15/949794715.db2.gz SLIYMGRDLWSEHM-QWRGUYRKSA-N 0 1 383.378 1.533 20 0 GDADMN C[C@@H](NC(=O)COC1CCCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575281282 949805968 /nfs/dbraw/zinc/80/59/68/949805968.db2.gz FGHKMJSZLPWISH-CQSZACIVSA-N 0 1 384.484 1.762 20 0 GDADMN O=C([O-])c1cncc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1 ZINC001595271236 949827464 /nfs/dbraw/zinc/82/74/64/949827464.db2.gz PEQMLXJLCKNJHM-UHFFFAOYSA-N 0 1 399.451 1.931 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573824406 949850194 /nfs/dbraw/zinc/85/01/94/949850194.db2.gz FIGRFLMZMXRHCF-JXQTWKCFSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(C)C1CC(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573825076 949863616 /nfs/dbraw/zinc/86/36/16/949863616.db2.gz KWHGDSPYRGAOLN-HSBZDZAISA-N 0 1 384.488 1.411 20 0 GDADMN CC1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)CCC1 ZINC001575568875 949896739 /nfs/dbraw/zinc/89/67/39/949896739.db2.gz CAWCCADQKPPRMC-OLZOCXBDSA-N 0 1 376.486 1.170 20 0 GDADMN CC(C)(C)/C=C/C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573828732 949941566 /nfs/dbraw/zinc/94/15/66/949941566.db2.gz TUZRDUKYLJBSBC-ONCYFDPTSA-N 0 1 382.472 1.877 20 0 GDADMN C[C@@H](CN(C)C(=O)COCC(F)F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574726834 949944032 /nfs/dbraw/zinc/94/40/32/949944032.db2.gz LSSREEZAENYMAX-JTQLQIEISA-N 0 1 386.378 1.224 20 0 GDADMN C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001574489362 949961479 /nfs/dbraw/zinc/96/14/79/949961479.db2.gz JEBZIVGGZJKRQQ-CZUORRHYSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001574489661 949968248 /nfs/dbraw/zinc/96/82/48/949968248.db2.gz KJCCMGGAGCIKIY-GUYCJALGSA-N 0 1 380.456 1.443 20 0 GDADMN CCC[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@H]1CC(=O)N(C)C1=O ZINC001589674414 949978178 /nfs/dbraw/zinc/97/81/78/949978178.db2.gz SUYKLPWCLLWJMA-ZFWWWQNUSA-N 0 1 377.441 1.550 20 0 GDADMN CCC[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@H]1CC(=O)N(C)C1=O ZINC001589674414 949978196 /nfs/dbraw/zinc/97/81/96/949978196.db2.gz SUYKLPWCLLWJMA-ZFWWWQNUSA-N 0 1 377.441 1.550 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574490491 949995200 /nfs/dbraw/zinc/99/52/00/949995200.db2.gz SZUUQOZUULRKQW-AGIUHOORSA-N 0 1 380.412 1.233 20 0 GDADMN C[C@H](NC(=O)Cc1ccoc1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575289618 949998338 /nfs/dbraw/zinc/99/83/38/949998338.db2.gz ALZJQDPDQVWFER-DZGCQCFKSA-N 0 1 381.440 1.819 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccn[nH]1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574728705 950001971 /nfs/dbraw/zinc/00/19/71/950001971.db2.gz HVJOKAQKJQZVPZ-SSDOTTSWSA-N 0 1 381.853 1.201 20 0 GDADMN C[C@@H](NC(=O)Cc1ccoc1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575289620 950002252 /nfs/dbraw/zinc/00/22/52/950002252.db2.gz ALZJQDPDQVWFER-UKRRQHHQSA-N 0 1 381.440 1.819 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576181650 950014140 /nfs/dbraw/zinc/01/41/40/950014140.db2.gz IQKDOISXGQUKPA-JSGCOSHPSA-N 0 1 381.444 1.124 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCO1 ZINC001574150266 950027721 /nfs/dbraw/zinc/02/77/21/950027721.db2.gz AWCKUXZFDTVUHT-GXTWGEPZSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCO1 ZINC001574150266 950027742 /nfs/dbraw/zinc/02/77/42/950027742.db2.gz AWCKUXZFDTVUHT-GXTWGEPZSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182003 950030874 /nfs/dbraw/zinc/03/08/74/950030874.db2.gz KHDFIFUGLXRSEK-UONOGXRCSA-N 0 1 387.488 1.395 20 0 GDADMN CC(C)(C)CC(=O)N1C[C@@]2(C)CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001573835071 950031770 /nfs/dbraw/zinc/03/17/70/950031770.db2.gz NPDOXJIFYHDGSL-KDURUIRLSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)C[C@H](O)c1ccccc1F ZINC001574975671 950045646 /nfs/dbraw/zinc/04/56/46/950045646.db2.gz YDMBQUYDEHVISG-BZNIZROVSA-N 0 1 387.419 1.118 20 0 GDADMN CC1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCOCC2)CC1 ZINC001575575531 950054200 /nfs/dbraw/zinc/05/42/00/950054200.db2.gz KEXLNRZTWWQNRF-UHFFFAOYSA-N 0 1 376.486 1.483 20 0 GDADMN CC1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCOCC2)CC1 ZINC001575575531 950054223 /nfs/dbraw/zinc/05/42/23/950054223.db2.gz KEXLNRZTWWQNRF-UHFFFAOYSA-N 0 1 376.486 1.483 20 0 GDADMN C[C@H](CC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001574492392 950082180 /nfs/dbraw/zinc/08/21/80/950082180.db2.gz ANXVZSGXBNZHMG-UKRRQHHQSA-N 0 1 387.488 1.179 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001574492391 950083637 /nfs/dbraw/zinc/08/36/37/950083637.db2.gz ANXVZSGXBNZHMG-HIFRSBDPSA-N 0 1 387.488 1.179 20 0 GDADMN CC(C)(C)CC(=O)NCCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001573836786 950093586 /nfs/dbraw/zinc/09/35/86/950093586.db2.gz QWQJHFIDNQNCQB-UHFFFAOYSA-N 0 1 386.504 1.326 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575894077 950098718 /nfs/dbraw/zinc/09/87/18/950098718.db2.gz CXMZHEDTNAGSIF-AAEUAGOBSA-N 0 1 386.485 1.445 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001573839153 950124151 /nfs/dbraw/zinc/12/41/51/950124151.db2.gz MNQAROOTXOYXJP-SFYZADRCSA-N 0 1 385.881 1.079 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574493305 950128661 /nfs/dbraw/zinc/12/86/61/950128661.db2.gz SCIJWWBIMHAMDM-GDBMZVCRSA-N 0 1 392.467 1.936 20 0 GDADMN CC1(C(=O)NC[C@@]2(O)CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCC1 ZINC001575584242 950167218 /nfs/dbraw/zinc/16/72/18/950167218.db2.gz XHDMKKOTRXJLSQ-IBGZPJMESA-N 0 1 388.447 1.249 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccoc1 ZINC001574155255 950186529 /nfs/dbraw/zinc/18/65/29/950186529.db2.gz KPURFJWJUKSVIU-CQSZACIVSA-N 0 1 384.444 1.247 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2csnn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575900059 950187377 /nfs/dbraw/zinc/18/73/77/950187377.db2.gz BOBONKGWSLVSMH-BXUZGUMPSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585238 950190177 /nfs/dbraw/zinc/19/01/77/950190177.db2.gz XXNCFISQNIHDFV-MFGLSYLJSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585238 950190187 /nfs/dbraw/zinc/19/01/87/950190187.db2.gz XXNCFISQNIHDFV-MFGLSYLJSA-N 0 1 376.486 1.339 20 0 GDADMN CC(C)(C)CCCN1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844478 950191854 /nfs/dbraw/zinc/19/18/54/950191854.db2.gz ICVKQTCXNLPHTM-LJQANCHMSA-N 0 1 389.504 1.842 20 0 GDADMN CC(C)(C)CCN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)O2 ZINC001573845108 950213616 /nfs/dbraw/zinc/21/36/16/950213616.db2.gz RFMXSRJKPNZRDI-CQSZACIVSA-N 0 1 387.488 1.594 20 0 GDADMN C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192149 950226555 /nfs/dbraw/zinc/22/65/55/950226555.db2.gz LZBYPRZPFRTZFC-RYUDHWBXSA-N 0 1 384.419 1.361 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574983625 950230015 /nfs/dbraw/zinc/23/00/15/950230015.db2.gz QPOUSTGGEWFFLY-JTQLQIEISA-N 0 1 384.419 1.514 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)COC1CCCC1 ZINC001574157841 950259049 /nfs/dbraw/zinc/25/90/49/950259049.db2.gz JPOYMKIELIAZOD-AWEZNQCLSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575902437 950260217 /nfs/dbraw/zinc/26/02/17/950260217.db2.gz UWLPFCUPNDHOIJ-GXSJLCMTSA-N 0 1 388.819 1.690 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1ccco1 ZINC001574498480 950276952 /nfs/dbraw/zinc/27/69/52/950276952.db2.gz NZHXJUHGMCBUOA-GFCCVEGCSA-N 0 1 382.428 1.316 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1occc1Cl ZINC001574158730 950285452 /nfs/dbraw/zinc/28/54/52/950285452.db2.gz RIEJJYUHCKDXQJ-SNVBAGLBSA-N 0 1 390.835 1.582 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574742508 950292800 /nfs/dbraw/zinc/29/28/00/950292800.db2.gz MMZBSXZNECDKPK-JTQLQIEISA-N 0 1 386.485 1.779 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574742508 950292817 /nfs/dbraw/zinc/29/28/17/950292817.db2.gz MMZBSXZNECDKPK-JTQLQIEISA-N 0 1 386.485 1.779 20 0 GDADMN C[C@H](CC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574499442 950303077 /nfs/dbraw/zinc/30/30/77/950303077.db2.gz VNXKKNCKSXIFEK-WLYUNCDWSA-N 0 1 380.456 1.443 20 0 GDADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159716 950316268 /nfs/dbraw/zinc/31/62/68/950316268.db2.gz YHDKURXZDNRAID-BBRMVZONSA-N 0 1 389.508 1.186 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907216 950328575 /nfs/dbraw/zinc/32/85/75/950328575.db2.gz MWOIHARJAMTABD-AAEUAGOBSA-N 0 1 378.502 1.822 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907216 950328595 /nfs/dbraw/zinc/32/85/95/950328595.db2.gz MWOIHARJAMTABD-AAEUAGOBSA-N 0 1 378.502 1.822 20 0 GDADMN C[C@@]1(C(=O)NCCN(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCOC1 ZINC001575594424 950334070 /nfs/dbraw/zinc/33/40/70/950334070.db2.gz SVBPXTLDVQPMNX-HXUWFJFHSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907634 950344459 /nfs/dbraw/zinc/34/44/59/950344459.db2.gz PYWOLALUTUSICE-SWLSCSKDSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907634 950344481 /nfs/dbraw/zinc/34/44/81/950344481.db2.gz PYWOLALUTUSICE-SWLSCSKDSA-N 0 1 390.513 1.824 20 0 GDADMN CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574162524 950383136 /nfs/dbraw/zinc/38/31/36/950383136.db2.gz CFUNVLXPNPSWOB-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574162524 950383157 /nfs/dbraw/zinc/38/31/57/950383157.db2.gz CFUNVLXPNPSWOB-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575597858 950420110 /nfs/dbraw/zinc/42/01/10/950420110.db2.gz XXNCFISQNIHDFV-BWACUDIHSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575597858 950420119 /nfs/dbraw/zinc/42/01/19/950420119.db2.gz XXNCFISQNIHDFV-BWACUDIHSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574503968 950423012 /nfs/dbraw/zinc/42/30/12/950423012.db2.gz ZBCYGGKSLBANNL-KBPBESRZSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574507385 950455734 /nfs/dbraw/zinc/45/57/34/950455734.db2.gz IFTCLGTWZDEDCU-AYMQEEERSA-N 0 1 385.472 1.196 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573866454 950503084 /nfs/dbraw/zinc/50/30/84/950503084.db2.gz CRERJMVZJVGSFZ-CHWSQXEVSA-N 0 1 386.460 1.042 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573867175 950522874 /nfs/dbraw/zinc/52/28/74/950522874.db2.gz RWAIOLLSKZXRJR-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573867175 950522884 /nfs/dbraw/zinc/52/28/84/950522884.db2.gz RWAIOLLSKZXRJR-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)on1 ZINC001574997131 950538356 /nfs/dbraw/zinc/53/83/56/950538356.db2.gz RVSUKVZVGCREHF-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)on1 ZINC001574997131 950538368 /nfs/dbraw/zinc/53/83/68/950538368.db2.gz RVSUKVZVGCREHF-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)on1 ZINC001574997135 950539330 /nfs/dbraw/zinc/53/93/30/950539330.db2.gz RVSUKVZVGCREHF-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)on1 ZINC001574997135 950539344 /nfs/dbraw/zinc/53/93/44/950539344.db2.gz RVSUKVZVGCREHF-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576206015 950556320 /nfs/dbraw/zinc/55/63/20/950556320.db2.gz SQFJEKROPKRZJS-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576206015 950556341 /nfs/dbraw/zinc/55/63/41/950556341.db2.gz SQFJEKROPKRZJS-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574754130 950565495 /nfs/dbraw/zinc/56/54/95/950565495.db2.gz YEPJCZPXHSUWSI-GFCCVEGCSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574999047 950570255 /nfs/dbraw/zinc/57/02/55/950570255.db2.gz DXFJDMCXIPJNKD-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574999480 950585482 /nfs/dbraw/zinc/58/54/82/950585482.db2.gz KOMDHOURYORBMT-SSDOTTSWSA-N 0 1 382.400 1.497 20 0 GDADMN CC1(C)C(C(=O)NCCC2(CNc3ccnc(-c4nn[nH]n4)n3)CC2)C1(C)C ZINC001575617283 950600178 /nfs/dbraw/zinc/60/01/78/950600178.db2.gz ZPQQEVUCXHZEQS-UHFFFAOYSA-N 0 1 384.488 1.459 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574173855 950606972 /nfs/dbraw/zinc/60/69/72/950606972.db2.gz OJOADCMOUHTLQF-GOSISDBHSA-N 0 1 392.529 1.808 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574173855 950606985 /nfs/dbraw/zinc/60/69/85/950606985.db2.gz OJOADCMOUHTLQF-GOSISDBHSA-N 0 1 392.529 1.808 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)c[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575000669 950614511 /nfs/dbraw/zinc/61/45/11/950614511.db2.gz RLPMBFVFMMVSGZ-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN CC1(C)C(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1(C)C ZINC001575619853 950623810 /nfs/dbraw/zinc/62/38/10/950623810.db2.gz QXMKYUWEZTZFAR-NWDGAFQWSA-N 0 1 382.472 1.376 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573871808 950627441 /nfs/dbraw/zinc/62/74/41/950627441.db2.gz XBFMGMAUSBHHRJ-AWEZNQCLSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573871808 950627454 /nfs/dbraw/zinc/62/74/54/950627454.db2.gz XBFMGMAUSBHHRJ-AWEZNQCLSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001575001578 950636555 /nfs/dbraw/zinc/63/65/55/950636555.db2.gz VZODCLGYQRGGLB-SECBINFHSA-N 0 1 375.795 1.707 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573873574 950649661 /nfs/dbraw/zinc/64/96/61/950649661.db2.gz RNTDXZZLFYQUIQ-JYAVWHMHSA-N 0 1 376.486 1.290 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573873574 950649666 /nfs/dbraw/zinc/64/96/66/950649666.db2.gz RNTDXZZLFYQUIQ-JYAVWHMHSA-N 0 1 376.486 1.290 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575923495 950660648 /nfs/dbraw/zinc/66/06/48/950660648.db2.gz BQJHYELMFZOKJM-MEBBXXQBSA-N 0 1 385.378 1.677 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589744698 950665448 /nfs/dbraw/zinc/66/54/48/950665448.db2.gz ACNZXTWFDWHTOL-KRWDZBQOSA-N 0 1 398.463 1.455 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccncc1 ZINC001574519684 950688863 /nfs/dbraw/zinc/68/88/63/950688863.db2.gz XNWAKKMMDAMLJW-NALNUFGESA-N 0 1 390.451 1.401 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573878084 950702003 /nfs/dbraw/zinc/70/20/03/950702003.db2.gz JYBHTPKVGXZUKF-MGPQQGTHSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575629541 950738255 /nfs/dbraw/zinc/73/82/55/950738255.db2.gz OXNKYTJMDPELFS-AGUYFDCRSA-N 0 1 382.472 1.709 20 0 GDADMN C[C@H](CN(C)C(=O)c1cncn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574764521 950751208 /nfs/dbraw/zinc/75/12/08/950751208.db2.gz UYYLMKBMQQIDIB-SSDOTTSWSA-N 0 1 381.853 1.283 20 0 GDADMN CC1(C)CC(C(=O)N[C@@]23CCC[C@H]2N(c2ccnc(-c4nn[nH]n4)n2)CC3)C1 ZINC001575629986 950751447 /nfs/dbraw/zinc/75/14/47/950751447.db2.gz XUPRCYWWTFQMGB-BFUOFWGJSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574764668 950756138 /nfs/dbraw/zinc/75/61/38/950756138.db2.gz VWMRBKKEOAUWCC-LLVKDONJSA-N 0 1 392.464 1.345 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574764668 950756152 /nfs/dbraw/zinc/75/61/52/950756152.db2.gz VWMRBKKEOAUWCC-LLVKDONJSA-N 0 1 392.464 1.345 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cscn1 ZINC001575927855 950758852 /nfs/dbraw/zinc/75/88/52/950758852.db2.gz VHMBBJMHEXUHSS-RISCZKNCSA-N 0 1 384.469 1.174 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cscn1 ZINC001575927854 950761006 /nfs/dbraw/zinc/76/10/06/950761006.db2.gz VHMBBJMHEXUHSS-FZMZJTMJSA-N 0 1 384.469 1.174 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1ccon1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574521077 950765962 /nfs/dbraw/zinc/76/59/62/950765962.db2.gz CWSRLKCQNGNLNI-MNOVXSKESA-N 0 1 375.458 1.532 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1ccon1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574521077 950765984 /nfs/dbraw/zinc/76/59/84/950765984.db2.gz CWSRLKCQNGNLNI-MNOVXSKESA-N 0 1 375.458 1.532 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C)c1 ZINC001575927973 950767003 /nfs/dbraw/zinc/76/70/03/950767003.db2.gz WVLLFKZKWSBYFM-GXTWGEPZSA-N 0 1 381.444 1.176 20 0 GDADMN CC(C)(C)c1cccc(C(=O)NCCCNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001573882123 950769318 /nfs/dbraw/zinc/76/93/18/950769318.db2.gz SZXHGMOUWNAHRP-UHFFFAOYSA-N 0 1 380.456 1.608 20 0 GDADMN CC1(C)CC(CC(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001575632321 950794424 /nfs/dbraw/zinc/79/44/24/950794424.db2.gz HNCURTKSYVKTJC-IAGOWNOFSA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ccn(C)n1 ZINC001574522898 950801618 /nfs/dbraw/zinc/80/16/18/950801618.db2.gz LRFAVATWUXXDNF-VXGBXAGGSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ccn(C)n1 ZINC001574522898 950801637 /nfs/dbraw/zinc/80/16/37/950801637.db2.gz LRFAVATWUXXDNF-VXGBXAGGSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576220081 950818707 /nfs/dbraw/zinc/81/87/07/950818707.db2.gz QIFIHFNYNRTSML-GHMZBOCLSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCc1cn[nH]c1 ZINC001574524365 950859159 /nfs/dbraw/zinc/85/91/59/950859159.db2.gz VWXSZOFQGSMMNL-NWDGAFQWSA-N 0 1 388.501 1.657 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCc1cn[nH]c1 ZINC001574524365 950859184 /nfs/dbraw/zinc/85/91/84/950859184.db2.gz VWXSZOFQGSMMNL-NWDGAFQWSA-N 0 1 388.501 1.657 20 0 GDADMN C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1nn(C)cc1Cl ZINC001574529848 950959530 /nfs/dbraw/zinc/95/95/30/950959530.db2.gz AQODNUJPBCGPKR-NXEZZACHSA-N 0 1 391.867 1.268 20 0 GDADMN CC(C)CCCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001574195269 950976725 /nfs/dbraw/zinc/97/67/25/950976725.db2.gz LUWIFYYGAKGVKW-IBGZPJMESA-N 0 1 387.488 1.548 20 0 GDADMN CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573900198 950997146 /nfs/dbraw/zinc/99/71/46/950997146.db2.gz USEKHYVCMWJDHA-DTORHVGOSA-N 0 1 384.366 1.116 20 0 GDADMN CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573900243 951001627 /nfs/dbraw/zinc/00/16/27/951001627.db2.gz WUYLIUICRIXWGY-DTORHVGOSA-N 0 1 384.366 1.116 20 0 GDADMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC001594993389 951058443 /nfs/dbraw/zinc/05/84/43/951058443.db2.gz GGNOOEOMHPHSSB-ZDUSSCGKSA-N 0 1 382.420 1.893 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@H]2CCCOC2)c(C(=O)[O-])c1C ZINC001591425983 951136359 /nfs/dbraw/zinc/13/63/59/951136359.db2.gz MLUGSHXSXMZYFX-NSHDSACASA-N 0 1 384.454 1.981 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H]2CCCOC2)c(C(=O)[O-])c1C ZINC001591425983 951136366 /nfs/dbraw/zinc/13/63/66/951136366.db2.gz MLUGSHXSXMZYFX-NSHDSACASA-N 0 1 384.454 1.981 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@H](CO)C[C@H](C)C2)c(C(=O)[O-])c1C ZINC001591466776 951148646 /nfs/dbraw/zinc/14/86/46/951148646.db2.gz NGSYLIBYDLHACZ-CMPLNLGQSA-N 0 1 398.481 1.820 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c(C(=O)[O-])c1C ZINC001591466776 951148655 /nfs/dbraw/zinc/14/86/55/951148655.db2.gz NGSYLIBYDLHACZ-CMPLNLGQSA-N 0 1 398.481 1.820 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)O)C2)c(C(=O)[O-])c1C ZINC001591466814 951148890 /nfs/dbraw/zinc/14/88/90/951148890.db2.gz OYSYAPJKTYBJGK-NSHDSACASA-N 0 1 398.481 1.963 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@H](C(C)(C)O)C2)c(C(=O)[O-])c1C ZINC001591466814 951148896 /nfs/dbraw/zinc/14/88/96/951148896.db2.gz OYSYAPJKTYBJGK-NSHDSACASA-N 0 1 398.481 1.963 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575027705 951162762 /nfs/dbraw/zinc/16/27/62/951162762.db2.gz IGYSBUVWAKHVCI-ZDUSSCGKSA-N 0 1 392.467 1.435 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575028256 951172987 /nfs/dbraw/zinc/17/29/87/951172987.db2.gz NBHGRBMRNRKQNE-LBPRGKRZSA-N 0 1 378.440 1.045 20 0 GDADMN C[C@H](CNC(=O)c1ccccn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575031676 951202069 /nfs/dbraw/zinc/20/20/69/951202069.db2.gz GOXUUVAAJAQZOL-MRVPVSSYSA-N 0 1 378.849 1.626 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575035263 951269726 /nfs/dbraw/zinc/26/97/26/951269726.db2.gz VBDHHVLOFTVHCU-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575035263 951269735 /nfs/dbraw/zinc/26/97/35/951269735.db2.gz VBDHHVLOFTVHCU-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001575035548 951277663 /nfs/dbraw/zinc/27/76/63/951277663.db2.gz KLJRJBRVTHQEIC-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001575035548 951277676 /nfs/dbraw/zinc/27/76/76/951277676.db2.gz KLJRJBRVTHQEIC-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC001602867560 971731641 /nfs/dbraw/zinc/73/16/41/971731641.db2.gz WIRGUFVYKZRYDC-CYBMUJFWSA-N 0 1 384.473 1.972 20 0 GDADMN CCOc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1OC ZINC001592425618 951326261 /nfs/dbraw/zinc/32/62/61/951326261.db2.gz FOFIYYUCQXLKNS-KPHUOKFYSA-N 0 1 392.452 1.304 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575045377 951424617 /nfs/dbraw/zinc/42/46/17/951424617.db2.gz BBQSAXVZLYJGNY-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575045377 951424629 /nfs/dbraw/zinc/42/46/29/951424629.db2.gz BBQSAXVZLYJGNY-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1cncs1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575052515 951466835 /nfs/dbraw/zinc/46/68/35/951466835.db2.gz KSNVKFOQCFYQRY-LURJTMIESA-N 0 1 384.878 1.911 20 0 GDADMN C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575056292 951518921 /nfs/dbraw/zinc/51/89/21/951518921.db2.gz GSZYALYZPFWDQD-LLVKDONJSA-N 0 1 382.428 1.102 20 0 GDADMN C[C@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067532 951613768 /nfs/dbraw/zinc/61/37/68/951613768.db2.gz UXNANPYHNWVAGX-SSDOTTSWSA-N 0 1 383.384 1.762 20 0 GDADMN C[C@H](CNC(=O)c1ocnc1C(F)F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067532 951613772 /nfs/dbraw/zinc/61/37/72/951613772.db2.gz UXNANPYHNWVAGX-SSDOTTSWSA-N 0 1 383.384 1.762 20 0 GDADMN C[C@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067799 951623951 /nfs/dbraw/zinc/62/39/51/951623951.db2.gz ZHOFIKSHBVNORC-SNVBAGLBSA-N 0 1 387.469 1.703 20 0 GDADMN C[C@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067799 951623957 /nfs/dbraw/zinc/62/39/57/951623957.db2.gz ZHOFIKSHBVNORC-SNVBAGLBSA-N 0 1 387.469 1.703 20 0 GDADMN C[C@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575068616 951636641 /nfs/dbraw/zinc/63/66/41/951636641.db2.gz CHMNJCWUHPLFGA-SECBINFHSA-N 0 1 385.457 1.245 20 0 GDADMN C[C@@H](CNC(=O)c1sccc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575071339 951658712 /nfs/dbraw/zinc/65/87/12/951658712.db2.gz ZXYLYQPETZOLPY-JTQLQIEISA-N 0 1 384.469 1.850 20 0 GDADMN C[C@H](CNCc1cc(C(C)(C)C)on1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077236 951664083 /nfs/dbraw/zinc/66/40/83/951664083.db2.gz AZMSPJZGJTXGOZ-LLVKDONJSA-N 0 1 386.460 1.636 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575089415 951749184 /nfs/dbraw/zinc/74/91/84/951749184.db2.gz FLNALHJRJTYTNW-UGSOOPFHSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575089415 951749191 /nfs/dbraw/zinc/74/91/91/951749191.db2.gz FLNALHJRJTYTNW-UGSOOPFHSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001575089526 951751631 /nfs/dbraw/zinc/75/16/31/951751631.db2.gz GJYTXHPBUFUOSS-KSSFIOAISA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001575089526 951751643 /nfs/dbraw/zinc/75/16/43/951751643.db2.gz GJYTXHPBUFUOSS-KSSFIOAISA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575089508 951751903 /nfs/dbraw/zinc/75/19/03/951751903.db2.gz GITNKWMXWAJVBJ-OLZOCXBDSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575091350 951773435 /nfs/dbraw/zinc/77/34/35/951773435.db2.gz RUSWAIHOLMSLNL-XIKOKIGWSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575091350 951773442 /nfs/dbraw/zinc/77/34/42/951773442.db2.gz RUSWAIHOLMSLNL-XIKOKIGWSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cnccn1 ZINC001575100814 951846573 /nfs/dbraw/zinc/84/65/73/951846573.db2.gz VLQQCNBIOACOIB-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cnccn1 ZINC001575100814 951846581 /nfs/dbraw/zinc/84/65/81/951846581.db2.gz VLQQCNBIOACOIB-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CNCc1cccc(F)c1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575115206 951962406 /nfs/dbraw/zinc/96/24/06/951962406.db2.gz VUAFOBJSKMILNT-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CNCc1nc2c(o1)CCCC2)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575118329 951983524 /nfs/dbraw/zinc/98/35/24/951983524.db2.gz SNGRQMTVRATJBB-NSHDSACASA-N 0 1 384.444 1.217 20 0 GDADMN O=C([O-])Cn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1 ZINC001595143259 952098345 /nfs/dbraw/zinc/09/83/45/952098345.db2.gz XLGKKMDKWGDPHW-MRXNPFEDSA-N 0 1 383.452 1.395 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575134517 952113036 /nfs/dbraw/zinc/11/30/36/952113036.db2.gz IUFITPIFRPEFOZ-ACJLOTCBSA-N 0 1 382.472 1.356 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575143613 952154793 /nfs/dbraw/zinc/15/47/93/952154793.db2.gz BMLLTOLRMWBHMD-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575143941 952159634 /nfs/dbraw/zinc/15/96/34/952159634.db2.gz SMRYLFPTUVXQEO-SFHVURJKSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001575144374 952165984 /nfs/dbraw/zinc/16/59/84/952165984.db2.gz VBZZQPCVBTUTQV-DYVFJYSZSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575144478 952167683 /nfs/dbraw/zinc/16/76/83/952167683.db2.gz VWZZQZMFXSARJI-CYBMUJFWSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575145007 952175712 /nfs/dbraw/zinc/17/57/12/952175712.db2.gz OBFLPYJQWRJKTM-GFCCVEGCSA-N 0 1 378.440 1.140 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cscc1Cl ZINC001575145196 952179381 /nfs/dbraw/zinc/17/93/81/952179381.db2.gz SCPAXGKTGWJYKN-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575145355 952183288 /nfs/dbraw/zinc/18/32/88/952183288.db2.gz WGEGOWOFVOKURF-GOSISDBHSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1n[nH]cc1F ZINC001575165307 952306811 /nfs/dbraw/zinc/30/68/11/952306811.db2.gz NHOMAAOFNXGPDA-YFKPBYRVSA-N 0 1 385.816 1.411 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575174126 952365139 /nfs/dbraw/zinc/36/51/39/952365139.db2.gz HPVTXFIZIJKKEB-KBPBESRZSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575174126 952365146 /nfs/dbraw/zinc/36/51/46/952365146.db2.gz HPVTXFIZIJKKEB-KBPBESRZSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575174126 952365152 /nfs/dbraw/zinc/36/51/52/952365152.db2.gz HPVTXFIZIJKKEB-KBPBESRZSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575174126 952365157 /nfs/dbraw/zinc/36/51/57/952365157.db2.gz HPVTXFIZIJKKEB-KBPBESRZSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575197788 952487545 /nfs/dbraw/zinc/48/75/45/952487545.db2.gz ZSZICRCIXUSFAR-OLZOCXBDSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001575201239 952502418 /nfs/dbraw/zinc/50/24/18/952502418.db2.gz HQEQXMVMXBJCRN-GFCCVEGCSA-N 0 1 378.396 1.917 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571121179 952516770 /nfs/dbraw/zinc/51/67/70/952516770.db2.gz XUOIJSOBBFXXRK-OLZOCXBDSA-N 0 1 375.502 1.606 20 0 GDADMN CO[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571122360 952524934 /nfs/dbraw/zinc/52/49/34/952524934.db2.gz IYEDPZBYXLNPHW-WDBKCZKBSA-N 0 1 376.486 1.290 20 0 GDADMN CO[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571122360 952524936 /nfs/dbraw/zinc/52/49/36/952524936.db2.gz IYEDPZBYXLNPHW-WDBKCZKBSA-N 0 1 376.486 1.290 20 0 GDADMN O=C([C@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571122785 952526718 /nfs/dbraw/zinc/52/67/18/952526718.db2.gz LDDXWGLHBPOJAU-STQMWFEESA-N 0 1 376.486 1.293 20 0 GDADMN O=C([C@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571122785 952526726 /nfs/dbraw/zinc/52/67/26/952526726.db2.gz LDDXWGLHBPOJAU-STQMWFEESA-N 0 1 376.486 1.293 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571124679 952542474 /nfs/dbraw/zinc/54/24/74/952542474.db2.gz RBZWMMSZRAHPNV-GWCFXTLKSA-N 0 1 377.399 1.378 20 0 GDADMN O=C(Cc1ccc[nH]1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001571127904 952562445 /nfs/dbraw/zinc/56/24/45/952562445.db2.gz MIKZJSLWOBSOIJ-CALCHBBNSA-N 0 1 377.452 1.328 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)nc1C ZINC001571134351 952589388 /nfs/dbraw/zinc/58/93/88/952589388.db2.gz HTSXGBLAWFEAOJ-HDJSIYSDSA-N 0 1 378.440 1.316 20 0 GDADMN Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571135346 952602188 /nfs/dbraw/zinc/60/21/88/952602188.db2.gz UMHBFKVBAHZNGZ-OTVXOJSOSA-N 0 1 378.440 1.316 20 0 GDADMN CC[C@H](C(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571140518 952626615 /nfs/dbraw/zinc/62/66/15/952626615.db2.gz BSSCUODRORPHGR-VXGBXAGGSA-N 0 1 378.506 1.232 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571140532 952626789 /nfs/dbraw/zinc/62/67/89/952626789.db2.gz CDKWZSJDLXVAJW-LBPRGKRZSA-N 0 1 378.502 1.370 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571140532 952626794 /nfs/dbraw/zinc/62/67/94/952626794.db2.gz CDKWZSJDLXVAJW-LBPRGKRZSA-N 0 1 378.502 1.370 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571140532 952626797 /nfs/dbraw/zinc/62/67/97/952626797.db2.gz CDKWZSJDLXVAJW-LBPRGKRZSA-N 0 1 378.502 1.370 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571140532 952626801 /nfs/dbraw/zinc/62/68/01/952626801.db2.gz CDKWZSJDLXVAJW-LBPRGKRZSA-N 0 1 378.502 1.370 20 0 GDADMN O=C(CCc1ccccn1)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571140970 952629483 /nfs/dbraw/zinc/62/94/83/952629483.db2.gz DDTSXXQVZXBOOO-UHFFFAOYSA-N 0 1 378.440 1.114 20 0 GDADMN COc1ccnc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571141311 952632642 /nfs/dbraw/zinc/63/26/42/952632642.db2.gz KHRDJNAUWZADJG-OAHLLOKOSA-N 0 1 379.424 1.275 20 0 GDADMN C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571141558 952633630 /nfs/dbraw/zinc/63/36/30/952633630.db2.gz IJGNGWXIWLUMIH-NEPJUHHUSA-N 0 1 378.502 1.273 20 0 GDADMN C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571141558 952633635 /nfs/dbraw/zinc/63/36/35/952633635.db2.gz IJGNGWXIWLUMIH-NEPJUHHUSA-N 0 1 378.502 1.273 20 0 GDADMN O=C(NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)c1cc(C2CC2)on1 ZINC001571142151 952639063 /nfs/dbraw/zinc/63/90/63/952639063.db2.gz QAJANUMWJRXGLF-UHFFFAOYSA-N 0 1 379.424 1.594 20 0 GDADMN Cc1coc(C(=O)N[C@@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)c1 ZINC001571142602 952644376 /nfs/dbraw/zinc/64/43/76/952644376.db2.gz XXVXGISFOIXRCH-MRXNPFEDSA-N 0 1 379.424 1.952 20 0 GDADMN O=C([C@@H]1C[C@H]1C1CCC1)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571150602 952669217 /nfs/dbraw/zinc/66/92/17/952669217.db2.gz COGADPLINXAAFT-XUWVNRHRSA-N 0 1 379.468 1.593 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CC12CCCC2 ZINC001571151351 952674217 /nfs/dbraw/zinc/67/42/17/952674217.db2.gz PJXJFUHKLDQOQJ-HNKHHVNMSA-N 0 1 379.468 1.640 20 0 GDADMN C[C@H]1C[C@@H](C(=O)Nc2c(-c3nn[nH]n3)nnn2Cc2ccccc2)CCC1=O ZINC001571154842 952690386 /nfs/dbraw/zinc/69/03/86/952690386.db2.gz CHWHCDWAEHPRLC-AAEUAGOBSA-N 0 1 380.412 1.450 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001571155260 952694441 /nfs/dbraw/zinc/69/44/41/952694441.db2.gz MBNNKOAOWCFNSU-RWMBFGLXSA-N 0 1 380.412 1.233 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)ccn1 ZINC001571156823 952705745 /nfs/dbraw/zinc/70/57/45/952705745.db2.gz KRSORTYIWUTWMG-JSGCOSHPSA-N 0 1 379.428 1.147 20 0 GDADMN O=C(c1cc(C2CC2)no1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571160243 952724427 /nfs/dbraw/zinc/72/44/27/952724427.db2.gz FQZJYLLMNNOOQX-GFCCVEGCSA-N 0 1 380.412 1.266 20 0 GDADMN CN(C(=O)[C@]1(F)CCOC1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571166343 952760429 /nfs/dbraw/zinc/76/04/29/952760429.db2.gz LSHOHQOISLDEQF-PRDDCLIZSA-N 0 1 380.449 1.136 20 0 GDADMN CN(C(=O)[C@]1(F)CCOC1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571166343 952760433 /nfs/dbraw/zinc/76/04/33/952760433.db2.gz LSHOHQOISLDEQF-PRDDCLIZSA-N 0 1 380.449 1.136 20 0 GDADMN Cc1cc(N2CCN(C(=O)c3cc[nH]c3C(C)C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169609 952776051 /nfs/dbraw/zinc/77/60/51/952776051.db2.gz HUKRQTKVTSIYBR-UHFFFAOYSA-N 0 1 380.456 1.984 20 0 GDADMN Cc1cc(NC[C@@H]2CCCN(C(=O)c3ccn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571170496 952787330 /nfs/dbraw/zinc/78/73/30/952787330.db2.gz VKKOYUROKOGTLF-AWEZNQCLSA-N 0 1 380.456 1.295 20 0 GDADMN O=C(NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)[C@]12C[C@H]1CCC2 ZINC001571171574 952794658 /nfs/dbraw/zinc/79/46/58/952794658.db2.gz COHFUZVIMHMGPX-IITCCIDZSA-N 0 1 380.456 1.108 20 0 GDADMN Cc1conc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571172835 952810127 /nfs/dbraw/zinc/81/01/27/952810127.db2.gz YTJHQXACZQXLGE-SSDOTTSWSA-N 0 1 380.821 1.282 20 0 GDADMN C[C@H](NC(=O)c1ccncc1F)C1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571178305 952838509 /nfs/dbraw/zinc/83/85/09/952838509.db2.gz FQPANKAIYDDUAW-LBPRGKRZSA-N 0 1 381.415 1.651 20 0 GDADMN Cc1cc(C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)ncc1-c1nn[nH]n1 ZINC001571178465 952842260 /nfs/dbraw/zinc/84/22/60/952842260.db2.gz JNSOXVHXUZYVAB-OAHLLOKOSA-N 0 1 381.415 1.366 20 0 GDADMN Cc1cccc([C@@H](C)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)c1 ZINC001571179547 952853726 /nfs/dbraw/zinc/85/37/26/952853726.db2.gz FPDPKTWLMOYYBJ-JLZZUVOBSA-N 0 1 381.440 1.039 20 0 GDADMN Cc1cc(N[C@H](C)[C@@H]2CCN(C(=O)Cc3ccco3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179414 952853784 /nfs/dbraw/zinc/85/37/84/952853784.db2.gz DIFKRXJDNXHDKL-ZIAGYGMSSA-N 0 1 381.440 1.477 20 0 GDADMN Cc1ccoc1CC(=O)N1CCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001571181375 952863438 /nfs/dbraw/zinc/86/34/38/952863438.db2.gz VMZPXIYDFOEDOO-AWEZNQCLSA-N 0 1 381.440 1.833 20 0 GDADMN COc1cccc([C@H](C)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571183008 952872252 /nfs/dbraw/zinc/87/22/52/952872252.db2.gz LXRQHJJEPVOUHC-WFASDCNBSA-N 0 1 381.440 1.769 20 0 GDADMN C[C@@H](c1cnccn1)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571183525 952880022 /nfs/dbraw/zinc/88/00/22/952880022.db2.gz CSYYBVDCQNIGPV-GXTWGEPZSA-N 0 1 381.444 1.282 20 0 GDADMN CCCc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)[C@@H]2C)n[nH]1 ZINC001571184440 952893998 /nfs/dbraw/zinc/89/39/98/952893998.db2.gz ZKODFGDGIIZYEQ-SMDDNHRTSA-N 0 1 381.444 1.652 20 0 GDADMN Cc1nn(C)cc1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571187755 952910651 /nfs/dbraw/zinc/91/06/51/952910651.db2.gz BNJUZYZMBVBSSJ-ZDUSSCGKSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1ncc(C(=O)N2CCCCC[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)[nH]1 ZINC001571189011 952923142 /nfs/dbraw/zinc/92/31/42/952923142.db2.gz LXLMVKFTPVLXPQ-CQSZACIVSA-N 0 1 381.444 1.790 20 0 GDADMN Cc1cnc(CN[C@@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 ZINC001571189527 952930696 /nfs/dbraw/zinc/93/06/96/952930696.db2.gz WUILQGDCGIKLBM-ZIAGYGMSSA-N 0 1 381.444 1.124 20 0 GDADMN Cc1csc(C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571189680 952934083 /nfs/dbraw/zinc/93/40/83/952934083.db2.gz RLAXKWBJFGUYKD-DEZZGGKRSA-N 0 1 381.465 1.744 20 0 GDADMN CN(Cc1noc(C2CC2)n1)C(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001571190526 952943157 /nfs/dbraw/zinc/94/31/57/952943157.db2.gz KRNSRIPXIQWWNL-UHFFFAOYSA-N 0 1 381.809 1.901 20 0 GDADMN CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC[C@@H]1c1ccc(F)cc1 ZINC001571195566 952976058 /nfs/dbraw/zinc/97/60/58/952976058.db2.gz BVCPAGBKZHMKRC-HUUCEWRRSA-N 0 1 382.403 1.294 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(F)cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571195589 952978004 /nfs/dbraw/zinc/97/80/04/952978004.db2.gz CEHVVLGVHZDGOR-CYBMUJFWSA-N 0 1 382.403 1.503 20 0 GDADMN C[C@H]1CN(C(=O)c2ccncc2F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571197321 952988732 /nfs/dbraw/zinc/98/87/32/952988732.db2.gz WNOCDPLEFNSPBW-NWDGAFQWSA-N 0 1 382.403 1.038 20 0 GDADMN CCc1occc1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571198751 952992465 /nfs/dbraw/zinc/99/24/65/952992465.db2.gz FQJRMGJSWGACEC-VXGBXAGGSA-N 0 1 382.428 1.314 20 0 GDADMN CCc1occc1C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571198747 952992931 /nfs/dbraw/zinc/99/29/31/952992931.db2.gz FNNNUQQDUNDJLN-GFCCVEGCSA-N 0 1 382.428 1.411 20 0 GDADMN O=C(N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1 ZINC001571199794 953005194 /nfs/dbraw/zinc/00/51/94/953005194.db2.gz CGANHVQVJLKNPU-OCCSQVGLSA-N 0 1 382.403 1.228 20 0 GDADMN Cc1conc1C(=O)N[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571201084 953013686 /nfs/dbraw/zinc/01/36/86/953013686.db2.gz JJYGBZQCKGCSKD-TZMCWYRMSA-N 0 1 382.428 1.299 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)co1 ZINC001571202329 953023774 /nfs/dbraw/zinc/02/37/74/953023774.db2.gz TUSBGTPPDCBQOJ-YPMHNXCESA-N 0 1 382.428 1.190 20 0 GDADMN Cc1oc(C)c(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571204578 953030321 /nfs/dbraw/zinc/03/03/21/953030321.db2.gz ABKJFSULGJEGOM-JOCQHMNTSA-N 0 1 382.428 1.217 20 0 GDADMN O=C(CCc1ccco1)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571206597 953052698 /nfs/dbraw/zinc/05/26/98/953052698.db2.gz RKZWVNUBEKPHBU-ZDUSSCGKSA-N 0 1 382.428 1.097 20 0 GDADMN O=C(NCC1CC(NCc2cc(C3CC3)no2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571206920 953056896 /nfs/dbraw/zinc/05/68/96/953056896.db2.gz TUQBJMUIPMOOQL-UHFFFAOYSA-N 0 1 382.428 1.358 20 0 GDADMN O=C(CC1(O)CCC1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1nn[nH]n1 ZINC001571209735 953067134 /nfs/dbraw/zinc/06/71/34/953067134.db2.gz CGEJQPBDWKMKJN-IYBDPMFKSA-N 0 1 382.468 1.347 20 0 GDADMN CC1(C)C(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)C1(C)C ZINC001571213216 953093744 /nfs/dbraw/zinc/09/37/44/953093744.db2.gz PSDPRMTYTRWUEJ-TXEJJXNPSA-N 0 1 382.472 1.519 20 0 GDADMN COc1nc(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571219944 953128448 /nfs/dbraw/zinc/12/84/48/953128448.db2.gz UNPFFFPXHARWQS-AWEZNQCLSA-N 0 1 383.412 1.258 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)on1 ZINC001571223748 953146458 /nfs/dbraw/zinc/14/64/58/953146458.db2.gz UGTWPBCSWNOGAN-NSHDSACASA-N 0 1 383.416 1.024 20 0 GDADMN Cc1[nH]ccc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571229511 953170815 /nfs/dbraw/zinc/17/08/15/953170815.db2.gz HERTXIWMPQAYAP-PIGZYNQJSA-N 0 1 383.431 1.893 20 0 GDADMN CN(C(=O)Cc1ccsc1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571234391 953201733 /nfs/dbraw/zinc/20/17/33/953201733.db2.gz VZIMHNPRSOKDQT-UHFFFAOYSA-N 0 1 383.481 1.993 20 0 GDADMN Cc1nc[nH]c1C(=O)N1C[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571238902 953233981 /nfs/dbraw/zinc/23/39/81/953233981.db2.gz BYOAVXCGTYKBSF-HZMBPMFUSA-N 0 1 384.419 1.430 20 0 GDADMN Cc1cc(C(=O)NC[C@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)[nH]n1 ZINC001571239116 953236734 /nfs/dbraw/zinc/23/67/34/953236734.db2.gz GEIAWQDDBJXDOX-GFCCVEGCSA-N 0 1 384.419 1.289 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2ncccn2)cc1-c1nn[nH]n1 ZINC001571241577 953248251 /nfs/dbraw/zinc/24/82/51/953248251.db2.gz DWAPVECYOYQEPV-LLVKDONJSA-N 0 1 384.425 1.457 20 0 GDADMN O=C(CCc1cnc[nH]1)N1CCC[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571241723 953248818 /nfs/dbraw/zinc/24/88/18/953248818.db2.gz JOFUJWDJPDDLMT-ZDUSSCGKSA-N 0 1 384.419 1.765 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)Cc3cscn3)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244658 953265697 /nfs/dbraw/zinc/26/56/97/953265697.db2.gz DCZGIAYUBAIXHN-RISCZKNCSA-N 0 1 384.469 1.093 20 0 GDADMN CN(CC1CCN(C(=O)c2cncs2)CC1)c1ccncc1-c1nn[nH]n1 ZINC001571244696 953266080 /nfs/dbraw/zinc/26/60/80/953266080.db2.gz FGVGTTLNXYZWCJ-UHFFFAOYSA-N 0 1 384.469 1.707 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245161 953270911 /nfs/dbraw/zinc/27/09/11/953270911.db2.gz DUHZAVGRNGFKQO-RISCZKNCSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cncs2)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571245694 953275917 /nfs/dbraw/zinc/27/59/17/953275917.db2.gz YIGPMUGXNDDHBU-NEPJUHHUSA-N 0 1 384.469 1.493 20 0 GDADMN Cc1cc(C)c(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571245820 953277201 /nfs/dbraw/zinc/27/72/01/953277201.db2.gz ZOOOBAIDZLYBDX-GFCCVEGCSA-N 0 1 384.469 1.331 20 0 GDADMN CC[C@H](C)C(=O)N1CC[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3OC)C[C@H]21 ZINC001571247678 953285519 /nfs/dbraw/zinc/28/55/19/953285519.db2.gz CFEJSJMRPWTHMJ-JLJPHGGASA-N 0 1 384.484 1.954 20 0 GDADMN C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC001571248193 953290790 /nfs/dbraw/zinc/29/07/90/953290790.db2.gz NETQFLZGWWTUTB-DLBZAZTESA-N 0 1 384.484 1.859 20 0 GDADMN Cc1sccc1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571248295 953291630 /nfs/dbraw/zinc/29/16/30/953291630.db2.gz PSEXMHSPHQHJCU-ZYHUDNBSSA-N 0 1 384.469 1.411 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001571249040 953300708 /nfs/dbraw/zinc/30/07/08/953300708.db2.gz BQNKAMXOADIKNO-KBPBESRZSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H]1CN(C(=O)CC2CCCCCC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571249076 953300947 /nfs/dbraw/zinc/30/09/47/953300947.db2.gz CPNBDTLOLNGVMJ-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571249273 953302369 /nfs/dbraw/zinc/30/23/69/953302369.db2.gz HDGKYEOCGYDYNA-OCCSQVGLSA-N 0 1 384.488 1.957 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249662 953305430 /nfs/dbraw/zinc/30/54/30/953305430.db2.gz KFYSNPOPKDIRMY-MELADBBJSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001571251134 953314677 /nfs/dbraw/zinc/31/46/77/953314677.db2.gz WEVVPAIKCFJBIM-GXTWGEPZSA-N 0 1 384.488 1.554 20 0 GDADMN CN1CCCC[C@H]1C(=O)N[C@H]1CN(c2ccc(-c3nn[nH]n3)cn2)CC1(C)C ZINC001571251880 953320924 /nfs/dbraw/zinc/32/09/24/953320924.db2.gz CCTLMOXRJBADRA-GJZGRUSLSA-N 0 1 384.488 1.077 20 0 GDADMN CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571252048 953322459 /nfs/dbraw/zinc/32/24/59/953322459.db2.gz GFAARICAYFJZEZ-RBSFLKMASA-N 0 1 384.488 1.958 20 0 GDADMN C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001571252342 953327715 /nfs/dbraw/zinc/32/77/15/953327715.db2.gz LMGSXQKGZYADAV-DZKIICNBSA-N 0 1 384.488 1.585 20 0 GDADMN CN1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001571252342 953327721 /nfs/dbraw/zinc/32/77/21/953327721.db2.gz LMGSXQKGZYADAV-DZKIICNBSA-N 0 1 384.488 1.585 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571252415 953328149 /nfs/dbraw/zinc/32/81/49/953328149.db2.gz MGPBIINSKWHLSZ-KBPBESRZSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571252444 953328645 /nfs/dbraw/zinc/32/86/45/953328645.db2.gz 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ZINC001603792502 974254847 /nfs/dbraw/zinc/25/48/47/974254847.db2.gz XTQXEZZMPOXDHM-HNNXBMFYSA-N 0 1 392.452 1.497 20 0 GDADMN CC(C)(C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000530143420 974354830 /nfs/dbraw/zinc/35/48/30/974354830.db2.gz VUVKXCDPXZODSU-UHFFFAOYSA-N 0 1 392.481 1.101 20 0 GDADMN COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000563287956 974528872 /nfs/dbraw/zinc/52/88/72/974528872.db2.gz GXYLBSUUEAJVLH-RCJHGTSTSA-N 0 1 377.437 1.823 20 0 GDADMN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000576521419 974816073 /nfs/dbraw/zinc/81/60/73/974816073.db2.gz NXKPKDYSAGTGFH-SECBINFHSA-N 0 1 399.469 1.184 20 0 GDADMN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000576521424 974816344 /nfs/dbraw/zinc/81/63/44/974816344.db2.gz NXKPKDYSAGTGFH-VIFPVBQESA-N 0 1 399.469 1.184 20 0 GDADMN O=C([O-])c1cn(C2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)nn1 ZINC000581142800 974905459 /nfs/dbraw/zinc/90/54/59/974905459.db2.gz HKUPZSZRHOQXDY-GOSISDBHSA-N 0 1 383.452 1.804 20 0 GDADMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000584297279 974953053 /nfs/dbraw/zinc/95/30/53/974953053.db2.gz COWFREMFXKCOFW-MEBBXXQBSA-N 0 1 377.315 1.494 20 0 GDADMN CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc2)CC1 ZINC000634824270 975277356 /nfs/dbraw/zinc/27/73/56/975277356.db2.gz PAHDPQITJFZGKP-OAHLLOKOSA-N 0 1 375.469 1.833 20 0 GDADMN CC(C)c1nnc(N2C[C@@H](CC(=O)[O-])[C@H](O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001592076021 976830507 /nfs/dbraw/zinc/83/05/07/976830507.db2.gz ZFGHSKMOUSGEQI-NVXWUHKLSA-N 0 1 393.532 1.938 20 0 GDADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(C)(F)F)CC1 ZINC001592406872 977987287 /nfs/dbraw/zinc/98/72/87/977987287.db2.gz YTZKRTLDDWLUJF-LBPRGKRZSA-N 0 1 383.395 1.744 20 0 GDADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC001592417833 978019371 /nfs/dbraw/zinc/01/93/71/978019371.db2.gz CUPNEQNOPBJLOW-NSHDSACASA-N 0 1 378.853 1.790 20 0 GDADMN C[C@H](CCNS(=O)(=O)c1cccnc1C(=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC001592520900 978371522 /nfs/dbraw/zinc/37/15/22/978371522.db2.gz QVFDGVGGFZEVPR-CQSZACIVSA-N 0 1 377.466 1.969 20 0 GDADMN C[C@H](C[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1)C(=O)[O-] ZINC001592592829 978521175 /nfs/dbraw/zinc/52/11/75/978521175.db2.gz QTAMLVFKOHVZGK-MRXNPFEDSA-N 0 1 387.480 1.290 20 0 GDADMN O=C([O-])c1ccc(NC(=O)CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000738464160 978542853 /nfs/dbraw/zinc/54/28/53/978542853.db2.gz FVIMWWXSYCOOBM-LJQANCHMSA-N 0 1 383.448 1.675 20 0 GDADMN C[C@@H](CN1CCOCC1)C[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001592623091 978592542 /nfs/dbraw/zinc/59/25/42/978592542.db2.gz CWCVHOQURIOSQJ-HOTGVXAUSA-N 0 1 385.505 1.351 20 0 GDADMN C[C@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC001592629430 978609151 /nfs/dbraw/zinc/60/91/51/978609151.db2.gz IXTRKDODGJRSGP-CYBMUJFWSA-N 0 1 384.436 1.225 20 0 GDADMN C[C@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)[N@H+]1CCc2ccccc2C1 ZINC001592629430 978609153 /nfs/dbraw/zinc/60/91/53/978609153.db2.gz IXTRKDODGJRSGP-CYBMUJFWSA-N 0 1 384.436 1.225 20 0 GDADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000829458661 978999508 /nfs/dbraw/zinc/99/95/08/978999508.db2.gz OLYUHLXMJDCZHA-MRXNPFEDSA-N 0 1 390.484 1.925 20 0 GDADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCOC1 ZINC000831370833 979030786 /nfs/dbraw/zinc/03/07/86/979030786.db2.gz QPTYZYCBJQBWLZ-CHWSQXEVSA-N 0 1 378.425 1.857 20 0 GDADMN Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(C)c(C(=O)[O-])c3)CC2)c1 ZINC000832983169 979064600 /nfs/dbraw/zinc/06/46/00/979064600.db2.gz MRQLOFHYJXTRQN-UHFFFAOYSA-N 0 1 382.420 1.684 20 0 GDADMN C[C@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592674707 979085772 /nfs/dbraw/zinc/08/57/72/979085772.db2.gz KMDRVNFDTWCAOY-MCIONIFRSA-N 0 1 392.456 1.120 20 0 GDADMN C[C@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592674707 979085778 /nfs/dbraw/zinc/08/57/78/979085778.db2.gz KMDRVNFDTWCAOY-MCIONIFRSA-N 0 1 392.456 1.120 20 0 GDADMN C[C@H](CNC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)CN1CC[NH+](C)CC1 ZINC001592682653 979105287 /nfs/dbraw/zinc/10/52/87/979105287.db2.gz GDJQZKRIKSDIBS-CQSZACIVSA-N 0 1 388.472 1.126 20 0 GDADMN COC(=O)c1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc(C(=O)[O-])c1 ZINC000833712819 979228295 /nfs/dbraw/zinc/22/82/95/979228295.db2.gz NYLKSZSLWADIMO-UHFFFAOYSA-N 0 1 397.431 1.593 20 0 GDADMN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3csnc3C(=O)[O-])C2)nc(C)[nH+]1 ZINC000833745918 979236054 /nfs/dbraw/zinc/23/60/54/979236054.db2.gz HFFZPGWVJXTMKO-LLVKDONJSA-N 0 1 397.482 1.195 20 0 GDADMN CS(=O)(=O)c1ccc([C@H](O)C[N@@H+](CCc2ccccc2)CC(=O)[O-])cc1 ZINC000846270413 979435634 /nfs/dbraw/zinc/43/56/34/979435634.db2.gz WNDBTBKUWXSZBZ-GOSISDBHSA-N 0 1 377.462 1.753 20 0 GDADMN CS(=O)(=O)c1ccc(OCCC[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000846283027 979454042 /nfs/dbraw/zinc/45/40/42/979454042.db2.gz UTXVNCYLMFMAHQ-KBXCAEBGSA-N 0 1 383.466 1.282 20 0 GDADMN C[C@@H](Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1)C(=O)[O-] ZINC001592854758 979656394 /nfs/dbraw/zinc/65/63/94/979656394.db2.gz WFBWQJGVPZEAPY-GOEBONIOSA-N 0 1 375.469 1.736 20 0 GDADMN C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593008394 980231160 /nfs/dbraw/zinc/23/11/60/980231160.db2.gz GIOCFNBMYCFCFU-NSHDSACASA-N 0 1 377.470 1.664 20 0 GDADMN C[C@@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001593027747 980294773 /nfs/dbraw/zinc/29/47/73/980294773.db2.gz INVUNXHBFUDOHT-HUUCEWRRSA-N 0 1 393.459 1.696 20 0 GDADMN C[C@H](NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001593052325 980354692 /nfs/dbraw/zinc/35/46/92/980354692.db2.gz PLELAHIRUGHJIM-STQMWFEESA-N 0 1 375.473 1.870 20 0 GDADMN CC[C@@H]([NH2+]Cc1nc(=O)c2c(CC(=O)[O-])c(C(=O)OC)sc2[nH]1)C1CC1 ZINC001595304932 980441833 /nfs/dbraw/zinc/44/18/33/980441833.db2.gz BQQOFWWRBWWSBF-SNVBAGLBSA-N 0 1 379.438 1.677 20 0 GDADMN CC[C@@]1(O)CC[N@@H+](C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)[O-])C1 ZINC001595396523 980961546 /nfs/dbraw/zinc/96/15/46/980961546.db2.gz YKFHESDSHAWRCJ-HNAYVOBHSA-N 0 1 375.425 1.157 20 0 GDADMN CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC001595397417 980965176 /nfs/dbraw/zinc/96/51/76/980965176.db2.gz NSZXXGZYBYYLSD-YJYMSZOUSA-N 0 1 391.472 1.358 20 0 GDADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595450807 981104095 /nfs/dbraw/zinc/10/40/95/981104095.db2.gz CYIDIBJNTNJJRC-RYUDHWBXSA-N 0 1 382.486 1.399 20 0 GDADMN COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000906956405 981179157 /nfs/dbraw/zinc/17/91/57/981179157.db2.gz IUVPOERTXXSLDD-CYBMUJFWSA-N 0 1 398.481 1.267 20 0 GDADMN COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000906956405 981179159 /nfs/dbraw/zinc/17/91/59/981179159.db2.gz IUVPOERTXXSLDD-CYBMUJFWSA-N 0 1 398.481 1.267 20 0 GDADMN CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC ZINC001595481851 981203782 /nfs/dbraw/zinc/20/37/82/981203782.db2.gz CCRWKNXSVYHATB-ZDUSSCGKSA-N 0 1 378.429 1.068 20 0 GDADMN O=C([O-])C1(O)CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000909284384 981458920 /nfs/dbraw/zinc/45/89/20/981458920.db2.gz NFWUOPMQZMBXNU-OAHLLOKOSA-N 0 1 375.469 1.931 20 0 GDADMN COc1ccc([C@@H](CC(=O)[O-])NC(=O)C[N@@H+](C)[C@H]2CCSC2)c(OC)c1 ZINC000909367484 981473528 /nfs/dbraw/zinc/47/35/28/981473528.db2.gz FYBMQFCPHNGVQB-SWLSCSKDSA-N 0 1 382.482 1.773 20 0 GDADMN C[NH+]1CCN([C@@H](C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c2ccccc2)CC1 ZINC000909764027 981592186 /nfs/dbraw/zinc/59/21/86/981592186.db2.gz WNPQEXQVZOJISO-CRAIPNDOSA-N 0 1 399.413 1.841 20 0 GDADMN Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000909766082 981609685 /nfs/dbraw/zinc/60/96/85/981609685.db2.gz FTWOVTROQJKPAZ-HNNXBMFYSA-N 0 1 385.346 1.702 20 0 GDADMN Cc1cc(F)ccc1-n1cc(C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)nn1 ZINC000910175783 981774151 /nfs/dbraw/zinc/77/41/51/981774151.db2.gz ULXDGBVWLCMDRI-CYBMUJFWSA-N 0 1 375.404 1.336 20 0 GDADMN CN1CC[N@@H+](CCCNC(=O)c2cncc(C(=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000911197280 982279389 /nfs/dbraw/zinc/27/93/89/982279389.db2.gz KIYGATLKCGDJKB-IBGZPJMESA-N 0 1 382.464 1.888 20 0 GDADMN C[N@@H+]1CCN(CCCNC(=O)c2cncc(C(=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000911197280 982279393 /nfs/dbraw/zinc/27/93/93/982279393.db2.gz KIYGATLKCGDJKB-IBGZPJMESA-N 0 1 382.464 1.888 20 0 GDADMN C[N@H+]1CCN(CCCNC(=O)c2cncc(C(=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000911197280 982279397 /nfs/dbraw/zinc/27/93/97/982279397.db2.gz KIYGATLKCGDJKB-IBGZPJMESA-N 0 1 382.464 1.888 20 0 GDADMN 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C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)c1-c1nnn[n-]1 ZINC000826077794 608114089 /nfs/dbraw/zinc/11/40/89/608114089.db2.gz WFKQZESVQXWQER-VIFPVBQESA-N 0 1 386.464 1.214 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)c1-c1nn[n-]n1 ZINC000826077794 608114090 /nfs/dbraw/zinc/11/40/90/608114090.db2.gz WFKQZESVQXWQER-VIFPVBQESA-N 0 1 386.464 1.214 20 0 GDADMN Nc1nc(N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc2ccccc12 ZINC000826396466 608121468 /nfs/dbraw/zinc/12/14/68/608121468.db2.gz ZUOURBVPEWKQJW-UHFFFAOYSA-N 0 1 387.451 1.714 20 0 GDADMN Cn1ccc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Br)ccc32)n1 ZINC000826363152 608218917 /nfs/dbraw/zinc/21/89/17/608218917.db2.gz ADGVKMZMEJOVNH-UHFFFAOYSA-N 0 1 386.213 1.726 20 0 GDADMN Cc1cccc2nc(CNS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3F)[nH]c21 ZINC000826304612 608238970 /nfs/dbraw/zinc/23/89/70/608238970.db2.gz ROHUKIAFJCTBRA-UHFFFAOYSA-N 0 1 387.400 1.669 20 0 GDADMN CC(C)CN(CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255388 608253197 /nfs/dbraw/zinc/25/31/97/608253197.db2.gz HWZRAVJTIAOGLT-IBGZPJMESA-N 0 1 398.511 1.962 20 0 GDADMN CC[C@H]1CN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1CC(F)F ZINC000825212944 608257981 /nfs/dbraw/zinc/25/79/81/608257981.db2.gz VBGNHBDZHKXCHK-HNNXBMFYSA-N 0 1 393.442 1.857 20 0 GDADMN C[C@H](NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554504 608463700 /nfs/dbraw/zinc/46/37/00/608463700.db2.gz PWBJKXCYFIIXBO-INIZCTEOSA-N 0 1 391.479 1.866 20 0 GDADMN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823967816 608480149 /nfs/dbraw/zinc/48/01/49/608480149.db2.gz POCNIJOAAFENRC-KUHUBIRLSA-N 0 1 392.463 1.834 20 0 GDADMN C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824555593 608490587 /nfs/dbraw/zinc/49/05/87/608490587.db2.gz XYPMSUTWULYHJX-LBPRGKRZSA-N 0 1 377.408 1.503 20 0 GDADMN Cc1nncn1-c1cccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC000826338092 608492161 /nfs/dbraw/zinc/49/21/61/608492161.db2.gz KWYHSMAZBKYNKJ-UHFFFAOYSA-N 0 1 382.409 1.557 20 0 GDADMN c1nc(-c2ccccc2)[nH]c1CN1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826519291 608509704 /nfs/dbraw/zinc/50/97/04/608509704.db2.gz RZCLPFCSDGVYBH-UHFFFAOYSA-N 0 1 387.451 1.974 20 0 GDADMN c1ncn(-c2ccc(CN3CCN(c4ncccc4-c4nn[nH]n4)CC3)cc2)n1 ZINC000826525643 608509910 /nfs/dbraw/zinc/50/99/10/608509910.db2.gz SHSHOSIMKRFWKZ-UHFFFAOYSA-N 0 1 388.439 1.165 20 0 GDADMN CCCCN(C)C(=O)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825282141 608611119 /nfs/dbraw/zinc/61/11/19/608611119.db2.gz OIKHSQWQLCESDF-UHFFFAOYSA-N 0 1 396.499 1.985 20 0 GDADMN Cc1ccc(N2CCCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)nn1 ZINC000826290227 608683681 /nfs/dbraw/zinc/68/36/81/608683681.db2.gz GBPAKAJNTCYVCF-UHFFFAOYSA-N 0 1 390.455 1.325 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000825961903 608688704 /nfs/dbraw/zinc/68/87/04/608688704.db2.gz OUMZRBJYQUFOQH-ZDUSSCGKSA-N 0 1 384.444 1.817 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000825961903 608688709 /nfs/dbraw/zinc/68/87/09/608688709.db2.gz OUMZRBJYQUFOQH-ZDUSSCGKSA-N 0 1 384.444 1.817 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000825961903 608688710 /nfs/dbraw/zinc/68/87/10/608688710.db2.gz OUMZRBJYQUFOQH-ZDUSSCGKSA-N 0 1 384.444 1.817 20 0 GDADMN CN(CCCNC(=O)OC(C)(C)C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825918560 608716830 /nfs/dbraw/zinc/71/68/30/608716830.db2.gz HHKUQQGJOYASCD-UHFFFAOYSA-N 0 1 386.460 1.861 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCN(C)Cc1cnc(N(C)C)nc1 ZINC000826175861 609140906 /nfs/dbraw/zinc/14/09/06/609140906.db2.gz SSNKWKSYKCBHAY-UHFFFAOYSA-N 0 1 384.444 1.242 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000826073269 609143060 /nfs/dbraw/zinc/14/30/60/609143060.db2.gz MEJXNWFJALVULF-UHFFFAOYSA-N 0 1 390.398 1.781 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000826073269 609143061 /nfs/dbraw/zinc/14/30/61/609143061.db2.gz MEJXNWFJALVULF-UHFFFAOYSA-N 0 1 390.398 1.781 20 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/nfs/dbraw/zinc/19/05/97/609190597.db2.gz WKOMMROLWNHCMQ-SFHVURJKSA-N 0 1 393.451 1.291 20 0 GDADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2)C[C@@H](C)O1 ZINC000824984811 609194525 /nfs/dbraw/zinc/19/45/25/609194525.db2.gz NYEZPTFCEQOZHJ-ZIAGYGMSSA-N 0 1 395.467 1.734 20 0 GDADMN C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824536921 609239823 /nfs/dbraw/zinc/23/98/23/609239823.db2.gz AFEDHDUPJZQWJK-XMZIXOGTSA-N 0 1 384.419 1.584 20 0 GDADMN Cc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269374 609241146 /nfs/dbraw/zinc/24/11/46/609241146.db2.gz JRJOFHPUZMNGLX-BLLLJJGKSA-N 0 1 398.446 1.894 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000826232782 609286342 /nfs/dbraw/zinc/28/63/42/609286342.db2.gz IFXRLUIRJORZJR-GFCCVEGCSA-N 0 1 385.472 1.283 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000826232782 609286344 /nfs/dbraw/zinc/28/63/44/609286344.db2.gz IFXRLUIRJORZJR-GFCCVEGCSA-N 0 1 385.472 1.283 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000826232782 609286346 /nfs/dbraw/zinc/28/63/46/609286346.db2.gz IFXRLUIRJORZJR-GFCCVEGCSA-N 0 1 385.472 1.283 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2cc3c(cc2C)OCO3)cc1-c1nn[nH]n1 ZINC000826229818 609310486 /nfs/dbraw/zinc/31/04/86/609310486.db2.gz SLCHCYTXZITJDV-UHFFFAOYSA-N 0 1 386.393 1.979 20 0 GDADMN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1nnc[nH]1 ZINC000824632759 609327068 /nfs/dbraw/zinc/32/70/68/609327068.db2.gz DBYSFWYTQROQJH-ZCFIWIBFSA-N 0 1 388.335 1.043 20 0 GDADMN COCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C[C@@H]1C ZINC000826159573 609362510 /nfs/dbraw/zinc/36/25/10/609362510.db2.gz KGMGPOFVWJBENA-LBPRGKRZSA-N 0 1 395.305 1.782 20 0 GDADMN CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C[C@@H]1CCCC[C@H]1O ZINC000825892837 609375939 /nfs/dbraw/zinc/37/59/39/609375939.db2.gz VNPRBAQMFCMSNL-XHDPSFHLSA-N 0 1 378.864 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C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000824947156 609538498 /nfs/dbraw/zinc/53/84/98/609538498.db2.gz MVGHKVIROPQKQK-LLVKDONJSA-N 0 1 384.893 1.530 20 0 GDADMN O=S(=O)(c1ccc(-c2nn[nH]n2)cc1Cl)N1CC[C@H](N2CCCCC2)C1 ZINC000826494027 609546670 /nfs/dbraw/zinc/54/66/70/609546670.db2.gz MCNRCEPZXBXNCD-ZDUSSCGKSA-N 0 1 396.904 1.769 20 0 GDADMN COc1ccnc(N2CCN(c3ncc(Cl)c(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826221066 609548540 /nfs/dbraw/zinc/54/85/40/609548540.db2.gz NJCNIKZZOJDKHE-UHFFFAOYSA-N 0 1 386.847 1.954 20 0 GDADMN Cc1c(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cccc1-c1nn[nH]n1 ZINC000826241178 609621520 /nfs/dbraw/zinc/62/15/20/609621520.db2.gz UDNYPRLRXWGJRF-UHFFFAOYSA-N 0 1 389.379 1.333 20 0 GDADMN Cc1c(NS(=O)(=O)c2cc(Cl)cnc2N)cccc1S(N)(=O)=O ZINC000533167646 650044688 /nfs/dbraw/zinc/04/46/88/650044688.db2.gz WSBUNKCTGLOBNZ-UHFFFAOYSA-N 0 1 376.847 1.074 20 0 GDADMN C[C@@H](Cc1cnn(C)c1)NS(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC000916124124 660186466 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/nfs/dbraw/zinc/80/41/25/945804125.db2.gz HEXPISZURUKCPD-MNOVXSKESA-N 0 1 387.469 1.871 20 0 GDADMN CCc1ocnc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001571281366 945804137 /nfs/dbraw/zinc/80/41/37/945804137.db2.gz HEXPISZURUKCPD-MNOVXSKESA-N 0 1 387.469 1.871 20 0 GDADMN Cc1cc(N2C[C@]3(C)CN(C(=O)C(C)(C)F)C[C@]3(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571281632 945805969 /nfs/dbraw/zinc/80/59/69/945805969.db2.gz KIRWLPKTQLOVLM-KDURUIRLSA-N 0 1 387.463 1.993 20 0 GDADMN Cc1cc(N[C@@H]2CCCCCN(C(=O)CC(C)(C)O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571284132 945896955 /nfs/dbraw/zinc/89/69/55/945896955.db2.gz LWACTOLUMNYODJ-CQSZACIVSA-N 0 1 387.488 1.336 20 0 GDADMN CCC(CC)C(=O)N1CCO[C@@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571284646 945903249 /nfs/dbraw/zinc/90/32/49/945903249.db2.gz RUPAZLLWFOJLGY-SUMWQHHRSA-N 0 1 387.488 1.456 20 0 GDADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(F)s1 ZINC001571286680 945954712 /nfs/dbraw/zinc/95/47/12/945954712.db2.gz ONRCLLDQDRYTCV-VHSXEESVSA-N 0 1 388.432 1.384 20 0 GDADMN Cc1[nH]nc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)c1[O-] ZINC001571289498 946008973 /nfs/dbraw/zinc/00/89/73/946008973.db2.gz FZIAXLFQAMXGAZ-SNVBAGLBSA-N 0 1 388.457 1.012 20 0 GDADMN COc1cc(CN[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571289558 946010174 /nfs/dbraw/zinc/01/01/74/946010174.db2.gz HMAXJEYJGICKAG-MWLCHTKSSA-N 0 1 388.457 1.053 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C1Cc2ccccc2C1 ZINC001571290225 946034631 /nfs/dbraw/zinc/03/46/31/946034631.db2.gz YBTDDRQNUXVXIH-FQEVSTJZSA-N 0 1 388.475 1.972 20 0 GDADMN COc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@@H]2C)o1 ZINC001571290302 946039495 /nfs/dbraw/zinc/03/94/95/946039495.db2.gz ZYYRARBTVQLOSF-CMPLNLGQSA-N 0 1 388.453 1.923 20 0 GDADMN COc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@@H]2C)o1 ZINC001571290302 946039507 /nfs/dbraw/zinc/03/95/07/946039507.db2.gz ZYYRARBTVQLOSF-CMPLNLGQSA-N 0 1 388.453 1.923 20 0 GDADMN O=C(c1cccc(Cl)c1F)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571290485 946044603 /nfs/dbraw/zinc/04/46/03/946044603.db2.gz GILWFOFRQIQVHF-VIFPVBQESA-N 0 1 388.794 1.198 20 0 GDADMN C[C@@H]1CC[C@@H](NC(=O)c2occc2Cl)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571290935 946062574 /nfs/dbraw/zinc/06/25/74/946062574.db2.gz UYMYUVLYNQQFPJ-NXEZZACHSA-N 0 1 388.819 1.690 20 0 GDADMN O=C([C@@H]1CCC(F)(F)C1)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571292056 946090832 /nfs/dbraw/zinc/09/08/32/946090832.db2.gz UBXBLWKHKYNIQF-UPJWGTAASA-N 0 1 389.410 1.592 20 0 GDADMN CS[C@@H](C)C(=O)N1CCC(CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571294961 946151053 /nfs/dbraw/zinc/15/10/53/946151053.db2.gz MTDBLMDHHOIVAS-ZDUSSCGKSA-N 0 1 389.529 1.996 20 0 GDADMN O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@@H]1CC1(F)F ZINC001571295283 946159892 /nfs/dbraw/zinc/15/98/92/946159892.db2.gz WAZLYRAQELDCBQ-XVMARJQXSA-N 0 1 389.819 1.939 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H]3CCN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)cn1 ZINC001571298167 946208810 /nfs/dbraw/zinc/20/88/10/946208810.db2.gz BAAPCNIBGJWTHR-CVEARBPZSA-N 0 1 390.451 1.564 20 0 GDADMN O=C(COC1CCCC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299015 946236508 /nfs/dbraw/zinc/23/65/08/946236508.db2.gz GVJXMTZNIHANOB-ZDUSSCGKSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(COC1CCCC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299015 946236517 /nfs/dbraw/zinc/23/65/17/946236517.db2.gz GVJXMTZNIHANOB-ZDUSSCGKSA-N 0 1 390.513 1.968 20 0 GDADMN O=C([C@H]1CCc2cccnc21)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571299530 946253664 /nfs/dbraw/zinc/25/36/64/946253664.db2.gz SZDJEBCAKQYFRT-HIFRSBDPSA-N 0 1 390.451 1.069 20 0 GDADMN Cc1nsc(N2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299722 946259137 /nfs/dbraw/zinc/25/91/37/946259137.db2.gz OXMJZEDNHMGKCR-AAEUAGOBSA-N 0 1 390.517 1.011 20 0 GDADMN Cc1nsc(N2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299722 946259149 /nfs/dbraw/zinc/25/91/49/946259149.db2.gz OXMJZEDNHMGKCR-AAEUAGOBSA-N 0 1 390.517 1.011 20 0 GDADMN Cc1cnc(C(=O)N2C[C@H]3CCN(Cc4ccccc4-c4nn[nH]n4)C[C@H]32)cn1 ZINC001571299766 946261358 /nfs/dbraw/zinc/26/13/58/946261358.db2.gz UGPKOYUIELSDOE-CRAIPNDOSA-N 0 1 390.451 1.312 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCN1C(=O)CC1(O)CCC1 ZINC001571300316 946279754 /nfs/dbraw/zinc/27/97/54/946279754.db2.gz ZKMYKPVGOYOHNZ-CYBMUJFWSA-N 0 1 390.513 1.656 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCN1C(=O)CC1(O)CCC1 ZINC001571300316 946279764 /nfs/dbraw/zinc/27/97/64/946279764.db2.gz ZKMYKPVGOYOHNZ-CYBMUJFWSA-N 0 1 390.513 1.656 20 0 GDADMN C[C@@H](C(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)C(C)(F)F ZINC001571302349 946299890 /nfs/dbraw/zinc/29/98/90/946299890.db2.gz VMKVYLBLLVGRCI-SGTLLEGYSA-N 0 1 391.426 1.982 20 0 GDADMN O=C(Cc1ccco1)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21 ZINC001571305530 946367525 /nfs/dbraw/zinc/36/75/25/946367525.db2.gz DGPASSLRTMUMPX-JZYVYDRUSA-N 0 1 391.844 1.363 20 0 GDADMN Cc1ccncc1CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571306010 946384917 /nfs/dbraw/zinc/38/49/17/946384917.db2.gz GMPLRAYZFCBDDH-IBGZPJMESA-N 0 1 391.479 1.893 20 0 GDADMN O=C([C@H]1CCC1(F)F)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571308085 946429630 /nfs/dbraw/zinc/42/96/30/946429630.db2.gz LXJZKBZNFHFMOQ-VXGBXAGGSA-N 0 1 392.414 1.165 20 0 GDADMN O=C([C@H]1CCC1(F)F)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571308085 946429638 /nfs/dbraw/zinc/42/96/38/946429638.db2.gz LXJZKBZNFHFMOQ-VXGBXAGGSA-N 0 1 392.414 1.165 20 0 GDADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC(F)(F)CC1 ZINC001571310198 946464264 /nfs/dbraw/zinc/46/42/64/946464264.db2.gz YALGFKMOQKLZTD-UHFFFAOYSA-N 0 1 392.414 1.211 20 0 GDADMN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000823994851 946534744 /nfs/dbraw/zinc/53/47/44/946534744.db2.gz PUOFWYDZLBMXNM-UHFFFAOYSA-N 0 1 386.437 1.346 20 0 GDADMN Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)Cc2cccnc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314778 946544629 /nfs/dbraw/zinc/54/46/29/946544629.db2.gz CRJRPABLBRKSJV-DOTOQJQBSA-N 0 1 392.467 1.327 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)c(C)c1 ZINC001571314989 946546644 /nfs/dbraw/zinc/54/66/44/946546644.db2.gz GAWDBNZIOOXIGV-GDBMZVCRSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cc(C)cc(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315978 946561610 /nfs/dbraw/zinc/56/16/10/946561610.db2.gz QTHMRCUBXIMTFI-OAHLLOKOSA-N 0 1 392.467 1.920 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)Cc3cccnc3)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316144 946567462 /nfs/dbraw/zinc/56/74/62/946567462.db2.gz UXISZBKKQMINIR-GDBMZVCRSA-N 0 1 392.467 1.681 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)Cc3ccncc3C)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316276 946570793 /nfs/dbraw/zinc/57/07/93/946570793.db2.gz YEQBGFBTZPNLIC-YOEHRIQHSA-N 0 1 392.467 1.339 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C23CCC3)n1C ZINC001571316253 946571297 /nfs/dbraw/zinc/57/12/97/946571297.db2.gz XNHXSDUIBZIIOH-IRXDYDNUSA-N 0 1 392.467 1.484 20 0 GDADMN Cc1ccnc(C(=O)N[C@H]2CC[C@H](C)N(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316470 946576392 /nfs/dbraw/zinc/57/63/92/946576392.db2.gz DAVCIUKMPPLAKH-YOEHRIQHSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@@H](C)[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571316495 946579578 /nfs/dbraw/zinc/57/95/78/946579578.db2.gz DPIXMSVGKNLRCR-GDBMZVCRSA-N 0 1 392.467 1.597 20 0 GDADMN O=C(CCc1ccccn1)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571316755 946587020 /nfs/dbraw/zinc/58/70/20/946587020.db2.gz LMWCAMNWRCCHMP-OAHLLOKOSA-N 0 1 392.467 1.362 20 0 GDADMN Cc1cncc(CCC(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571316792 946587939 /nfs/dbraw/zinc/58/79/39/946587939.db2.gz MTKXIJGRSUEEIX-INIZCTEOSA-N 0 1 392.467 1.341 20 0 GDADMN Cc1ncncc1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001571317017 946594322 /nfs/dbraw/zinc/59/43/22/946594322.db2.gz RYNMWAOOGKEHLW-RDTXWAMCSA-N 0 1 392.467 1.748 20 0 GDADMN O=C(NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cn2c(n1)CCCC2 ZINC001571317042 946598822 /nfs/dbraw/zinc/59/88/22/946598822.db2.gz SVNNDILLUKHVDM-UHFFFAOYSA-N 0 1 392.467 1.261 20 0 GDADMN Cc1ccncc1CC(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571317122 946602152 /nfs/dbraw/zinc/60/21/52/946602152.db2.gz VUYVCBXHRMZXJZ-HNNXBMFYSA-N 0 1 392.467 1.493 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH]nc1C1CC1 ZINC001571317119 946602203 /nfs/dbraw/zinc/60/22/03/946602203.db2.gz VQNNAJLJGHMCEN-INIZCTEOSA-N 0 1 392.467 1.862 20 0 GDADMN CC(C)c1nc([C@@H](C)NC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824358922 946670218 /nfs/dbraw/zinc/67/02/18/946670218.db2.gz SCKZWVACKKPFDL-LLVKDONJSA-N 0 1 385.432 1.547 20 0 GDADMN C[C@H](CN1CCOCC1)C(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000824412841 946693103 /nfs/dbraw/zinc/69/31/03/946693103.db2.gz GUVMWKQZQDGZEO-CQSZACIVSA-N 0 1 390.513 1.184 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573585616 947263555 /nfs/dbraw/zinc/26/35/55/947263555.db2.gz HGVDQVLFAXHHDL-OLZOCXBDSA-N 0 1 383.431 1.885 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573592962 947354639 /nfs/dbraw/zinc/35/46/39/947354639.db2.gz OTMFQEYPJNYOIJ-OCCSQVGLSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573592962 947354662 /nfs/dbraw/zinc/35/46/62/947354662.db2.gz OTMFQEYPJNYOIJ-OCCSQVGLSA-N 0 1 392.529 1.616 20 0 GDADMN CN(CCc1ccccn1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825946238 947381473 /nfs/dbraw/zinc/38/14/73/947381473.db2.gz PBMCDLLRTKRTHE-GOSISDBHSA-N 0 1 377.452 1.932 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573599580 947457641 /nfs/dbraw/zinc/45/76/41/947457641.db2.gz YHUQXISJJKHKFE-IONNQARKSA-N 0 1 385.881 1.254 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573614825 947593629 /nfs/dbraw/zinc/59/36/29/947593629.db2.gz HRFWZWBCYUKBQC-KBPBESRZSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573614825 947593639 /nfs/dbraw/zinc/59/36/39/947593639.db2.gz HRFWZWBCYUKBQC-KBPBESRZSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573617899 947643066 /nfs/dbraw/zinc/64/30/66/947643066.db2.gz QGBNZLHSXRKLRL-IFXJQAMLSA-N 0 1 380.456 1.397 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(F)c1 ZINC001573626554 947708276 /nfs/dbraw/zinc/70/82/76/947708276.db2.gz VHCMLDPOJPTBLZ-FZMZJTMJSA-N 0 1 382.403 1.034 20 0 GDADMN CC(=O)CCCC(=O)N(C)[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573365786 947734578 /nfs/dbraw/zinc/73/45/78/947734578.db2.gz NQBYAYZLFAPYEA-LBPRGKRZSA-N 0 1 376.436 1.702 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573628233 947749593 /nfs/dbraw/zinc/74/95/93/947749593.db2.gz JGVKXRHVBRPYJK-CHWSQXEVSA-N 0 1 382.428 1.268 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573369850 947778771 /nfs/dbraw/zinc/77/87/71/947778771.db2.gz YCHQYYDADFTQGX-IUODEOHRSA-N 0 1 385.472 1.258 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573630795 947797146 /nfs/dbraw/zinc/79/71/46/947797146.db2.gz SGNPOOATNRPKKS-UWVGGRQHSA-N 0 1 384.366 1.282 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573374089 947803889 /nfs/dbraw/zinc/80/38/89/947803889.db2.gz MLMIUXGWFGJUCT-DZGCQCFKSA-N 0 1 385.472 1.339 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573374570 947810297 /nfs/dbraw/zinc/81/02/97/947810297.db2.gz NZHWPHYZNJMTQK-IBGZPJMESA-N 0 1 383.456 1.450 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573639939 947848395 /nfs/dbraw/zinc/84/83/95/947848395.db2.gz DIHAXLPZWDKSKQ-NFAWXSAZSA-N 0 1 384.488 1.554 20 0 GDADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1nnc(C2CCC2)n1C ZINC000826295206 947855514 /nfs/dbraw/zinc/85/55/14/947855514.db2.gz WTHUGAGDPLGRIO-UHFFFAOYSA-N 0 1 377.412 1.329 20 0 GDADMN CC(=O)CCCC(=O)NCC1(Nc2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001573380503 947858846 /nfs/dbraw/zinc/85/88/46/947858846.db2.gz DFLGNGRPNZZHJU-UHFFFAOYSA-N 0 1 383.865 1.797 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)n1cccc1 ZINC001573647591 947898753 /nfs/dbraw/zinc/89/87/53/947898753.db2.gz PSNAGQVNGRLGHG-RBSFLKMASA-N 0 1 380.456 1.253 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573648281 947905486 /nfs/dbraw/zinc/90/54/86/947905486.db2.gz YGDWBCIFYQMHRH-IJLUTSLNSA-N 0 1 394.430 1.266 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C(C)(C)C ZINC001573651305 947919347 /nfs/dbraw/zinc/91/93/47/947919347.db2.gz LDMDAKKEYWFSNC-QUJCMNEKSA-N 0 1 384.488 1.624 20 0 GDADMN C[C@@H](C(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)C(C)(F)F ZINC001573654252 947963360 /nfs/dbraw/zinc/96/33/60/947963360.db2.gz QGCCWAUHBLHJCI-QFYYESIMSA-N 0 1 379.415 1.672 20 0 GDADMN C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(F)F ZINC001573664340 948053063 /nfs/dbraw/zinc/05/30/63/948053063.db2.gz TYGLOEBEBQEKPJ-CZIZLABSSA-N 0 1 392.414 1.566 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826347603 948059227 /nfs/dbraw/zinc/05/92/27/948059227.db2.gz XITXEHDYDSVSRA-ZDUSSCGKSA-N 0 1 387.469 1.720 20 0 GDADMN C[C@@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1)[C@@H]1CCCO1 ZINC001573664719 948059356 /nfs/dbraw/zinc/05/93/56/948059356.db2.gz XTJZSUBMHRIXBO-CJNGLKHVSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573681642 948210082 /nfs/dbraw/zinc/21/00/82/948210082.db2.gz YHQDSKYMWXAUSK-HUUCEWRRSA-N 0 1 386.504 1.467 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573690575 948226244 /nfs/dbraw/zinc/22/62/44/948226244.db2.gz DSZVCYINPYQKMP-XHDPSFHLSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@@H](C(=O)NC[C@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573695615 948306828 /nfs/dbraw/zinc/30/68/28/948306828.db2.gz HNWYVEVXKRQYDE-CWTRNNRKSA-N 0 1 388.447 1.105 20 0 GDADMN C[C@@H](C(=O)NC[C@@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573696428 948324452 /nfs/dbraw/zinc/32/44/52/948324452.db2.gz QAIYXOUZRVDBAI-BLVKFPJESA-N 0 1 388.447 1.105 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573703472 948355277 /nfs/dbraw/zinc/35/52/77/948355277.db2.gz KGNHUYAQAGAQEW-LSDHHAIUSA-N 0 1 380.456 1.657 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573704018 948361458 /nfs/dbraw/zinc/36/14/58/948361458.db2.gz NZYMWYODTWBUFH-NXEZZACHSA-N 0 1 384.366 1.188 20 0 GDADMN C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573704767 948383365 /nfs/dbraw/zinc/38/33/65/948383365.db2.gz AJSHAOUSOXHYQA-AAOUONPWSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573704767 948383375 /nfs/dbraw/zinc/38/33/75/948383375.db2.gz AJSHAOUSOXHYQA-AAOUONPWSA-N 0 1 386.485 1.227 20 0 GDADMN O=C1[C@H](N2CCC(c3c[nH]cn3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477135 948386769 /nfs/dbraw/zinc/38/67/69/948386769.db2.gz WJYLRIHKMLHLNA-GOSISDBHSA-N 0 1 392.467 1.965 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1)C(C)(C)C ZINC001573707990 948441017 /nfs/dbraw/zinc/44/10/17/948441017.db2.gz QORVYMADYLJSJT-STQMWFEESA-N 0 1 388.476 1.050 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573713800 948466836 /nfs/dbraw/zinc/46/68/36/948466836.db2.gz BUFBEBARIMHENM-KBPBESRZSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573713806 948467038 /nfs/dbraw/zinc/46/70/38/948467038.db2.gz BUFBEBARIMHENM-ZIAGYGMSSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@@H](C(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573714522 948472455 /nfs/dbraw/zinc/47/24/55/948472455.db2.gz HTAVNJDDLNGDLA-VIFPVBQESA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1F ZINC001573719737 948529345 /nfs/dbraw/zinc/52/93/45/948529345.db2.gz OSKYHYOFKSAVQD-JTQLQIEISA-N 0 1 388.382 1.291 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H](C)n1cccc1 ZINC001573741628 948658118 /nfs/dbraw/zinc/65/81/18/948658118.db2.gz DZPAPLDYUKGIIB-RKDXNWHRSA-N 0 1 380.865 1.956 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573743146 948667971 /nfs/dbraw/zinc/66/79/71/948667971.db2.gz YWAOFNJDIABUKE-YOEHRIQHSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573752505 948713814 /nfs/dbraw/zinc/71/38/14/948713814.db2.gz NOYFNQFHTNSDNE-JYKNGBAOSA-N 0 1 384.488 1.526 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(C)(F)F ZINC001573754007 948725160 /nfs/dbraw/zinc/72/51/60/948725160.db2.gz ZKFJZECXEQSFPG-MVVXRAEJSA-N 0 1 382.440 1.766 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(C)(F)F ZINC001573754007 948725171 /nfs/dbraw/zinc/72/51/71/948725171.db2.gz ZKFJZECXEQSFPG-MVVXRAEJSA-N 0 1 382.440 1.766 20 0 GDADMN C[C@H](C(=O)Nc1ncccc1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573754349 948740857 /nfs/dbraw/zinc/74/08/57/948740857.db2.gz FGROQFYVNBAPJD-SECBINFHSA-N 0 1 385.388 1.008 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cccs1 ZINC001573755179 948756819 /nfs/dbraw/zinc/75/68/19/948756819.db2.gz BQWFDECPOJKEME-CNXAATOLSA-N 0 1 381.465 1.678 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575224448 948785767 /nfs/dbraw/zinc/78/57/67/948785767.db2.gz WHNCVKULMVFVAH-GHMZBOCLSA-N 0 1 392.414 1.353 20 0 GDADMN CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001575225147 948799414 /nfs/dbraw/zinc/79/94/14/948799414.db2.gz XFCLGUWDPACIHA-STQMWFEESA-N 0 1 377.399 1.568 20 0 GDADMN CC(F)(F)CC(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575225439 948805573 /nfs/dbraw/zinc/80/55/73/948805573.db2.gz BTPCAEBKWUIQNH-QGZVFWFLSA-N 0 1 392.414 1.521 20 0 GDADMN CC(F)(F)CC(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001575226591 948821204 /nfs/dbraw/zinc/82/12/04/948821204.db2.gz NSYRLEUYSOAFBL-NSHDSACASA-N 0 1 380.403 1.307 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574422019 948828021 /nfs/dbraw/zinc/82/80/21/948828021.db2.gz UTQQYFBFWYCIIT-GFCCVEGCSA-N 0 1 382.428 1.629 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574422367 948833690 /nfs/dbraw/zinc/83/36/90/948833690.db2.gz ZORHKMCHPWNFFM-LLVKDONJSA-N 0 1 390.469 1.525 20 0 GDADMN CC(C)c1ccsc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574424113 948838962 /nfs/dbraw/zinc/83/89/62/948838962.db2.gz FLVIRBAYXYNYBC-PHIMTYICSA-N 0 1 384.469 1.636 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920057 948879982 /nfs/dbraw/zinc/87/99/82/948879982.db2.gz BCDMBOIMUJEBRM-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnn(C)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920057 948879995 /nfs/dbraw/zinc/87/99/95/948879995.db2.gz BCDMBOIMUJEBRM-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cc(F)cc(-c3nn[nH]n3)c2)n[nH]1 ZINC001574426108 948886574 /nfs/dbraw/zinc/88/65/74/948886574.db2.gz QOVQUWKQPCERQU-QMMMGPOBSA-N 0 1 380.409 1.287 20 0 GDADMN CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575234154 948895254 /nfs/dbraw/zinc/89/52/54/948895254.db2.gz OYNRZGYXPUATTB-FGWVZKOKSA-N 0 1 378.387 1.318 20 0 GDADMN CC(C)c1ncc(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001574427498 948903081 /nfs/dbraw/zinc/90/30/81/948903081.db2.gz GEWIDJFZUJQYOZ-SNVBAGLBSA-N 0 1 387.473 1.231 20 0 GDADMN CC(C)(C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573765445 948909545 /nfs/dbraw/zinc/90/95/45/948909545.db2.gz GFCGVLWTAASERI-ZDUSSCGKSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)(C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573765445 948909561 /nfs/dbraw/zinc/90/95/61/948909561.db2.gz GFCGVLWTAASERI-ZDUSSCGKSA-N 0 1 390.513 1.681 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575235147 948912345 /nfs/dbraw/zinc/91/23/45/948912345.db2.gz JMBIIFWLCRFGIH-NSHDSACASA-N 0 1 380.403 1.165 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001575235483 948919596 /nfs/dbraw/zinc/91/95/96/948919596.db2.gz VSTLMTXNPRMREX-IJLUTSLNSA-N 0 1 392.414 1.423 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001575235486 948920339 /nfs/dbraw/zinc/92/03/39/948920339.db2.gz VSTLMTXNPRMREX-QJPTWQEYSA-N 0 1 392.414 1.423 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575237532 948948419 /nfs/dbraw/zinc/94/84/19/948948419.db2.gz HASHWVQEDCCKJQ-MNOVXSKESA-N 0 1 380.403 1.211 20 0 GDADMN CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573772918 948969498 /nfs/dbraw/zinc/96/94/98/948969498.db2.gz YKIGKXLJVBBKQP-CQSZACIVSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573773735 948994207 /nfs/dbraw/zinc/99/42/07/948994207.db2.gz GEQWPIUWJNBODO-MRVPVSSYSA-N 0 1 385.881 1.302 20 0 GDADMN CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574439253 949006569 /nfs/dbraw/zinc/00/65/69/949006569.db2.gz DPBBCLOKRDDKAM-SNVBAGLBSA-N 0 1 387.473 1.491 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001602789047 971540565 /nfs/dbraw/zinc/54/05/65/971540565.db2.gz GIUDZSKZSAPYDG-JKSUJKDBSA-N 0 1 375.473 1.091 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441861 949082965 /nfs/dbraw/zinc/08/29/65/949082965.db2.gz CXELBYLXFBPJGB-LLVKDONJSA-N 0 1 383.416 1.024 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694738 949091890 /nfs/dbraw/zinc/09/18/90/949091890.db2.gz VVBXBPGCZYGNPC-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694738 949091908 /nfs/dbraw/zinc/09/19/08/949091908.db2.gz VVBXBPGCZYGNPC-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C1(Cc2ccccc2)CC1 ZINC001575251593 949144464 /nfs/dbraw/zinc/14/44/64/949144464.db2.gz BPVJADAINOOXOO-KGLIPLIRSA-N 0 1 392.467 1.407 20 0 GDADMN C[C@@H](NC(=O)C12CCC(CC1)C2(C)C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575252069 949155189 /nfs/dbraw/zinc/15/51/89/949155189.db2.gz DRGMQEYRIVBPEP-HGKLQBSUSA-N 0 1 384.488 1.600 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)C1CC1 ZINC001573787271 949172155 /nfs/dbraw/zinc/17/21/55/949172155.db2.gz QTUJCOKCMIFADG-QLPKVWCKSA-N 0 1 384.459 1.988 20 0 GDADMN CC(C)c1oncc1C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001574448214 949183573 /nfs/dbraw/zinc/18/35/73/949183573.db2.gz GJMOQSTUBQPDSO-NHYWBVRUSA-N 0 1 382.428 1.368 20 0 GDADMN C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574934914 949184947 /nfs/dbraw/zinc/18/49/47/949184947.db2.gz UWVOMWXHYPAWEW-LLVKDONJSA-N 0 1 387.831 1.333 20 0 GDADMN C[C@H](CNC(=O)COc1cccnc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574934950 949187281 /nfs/dbraw/zinc/18/72/81/949187281.db2.gz VWMUUKLOBNBVAA-GFCCVEGCSA-N 0 1 385.403 1.074 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574449379 949196832 /nfs/dbraw/zinc/19/68/32/949196832.db2.gz QEEFWFDBMZKBAY-HNNXBMFYSA-N 0 1 381.440 1.982 20 0 GDADMN CC(C)CC(=O)N(C)C[C@H](O)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574100706 949198705 /nfs/dbraw/zinc/19/87/05/949198705.db2.gz XXDIXRZZXKPOBO-CQSZACIVSA-N 0 1 378.452 1.303 20 0 GDADMN C[C@@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574936255 949215967 /nfs/dbraw/zinc/21/59/67/949215967.db2.gz JBEKQYFOQZKKGL-JTQLQIEISA-N 0 1 388.382 1.119 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1ccncc1-c1nn[nH]n1 ZINC001574937759 949230620 /nfs/dbraw/zinc/23/06/20/949230620.db2.gz QJLPSPSOHAEJGR-SECBINFHSA-N 0 1 377.861 1.558 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001589605877 949263880 /nfs/dbraw/zinc/26/38/80/949263880.db2.gz YFCOGHORAPJFOO-KXBFYZLASA-N 0 1 375.425 1.441 20 0 GDADMN C[C@@H](c1cnccn1)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575521612 949264952 /nfs/dbraw/zinc/26/49/52/949264952.db2.gz HTPBRKXLPSXWRX-PJFSTRORSA-N 0 1 393.455 1.330 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574452968 949273439 /nfs/dbraw/zinc/27/34/39/949273439.db2.gz SXPNXBBVXBSBOU-ZDUSSCGKSA-N 0 1 381.444 1.295 20 0 GDADMN C[C@H]1CCC[C@H](C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576154933 949370762 /nfs/dbraw/zinc/37/07/62/949370762.db2.gz RPWVGBMDZZZJQJ-ZFWWWQNUSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(C)C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001573799393 949371531 /nfs/dbraw/zinc/37/15/31/949371531.db2.gz LZZTZGAPSUGKTF-YUMQZZPRSA-N 0 1 385.881 1.079 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574463805 949384744 /nfs/dbraw/zinc/38/47/44/949384744.db2.gz BHMCMQWOWFFMES-MRXNPFEDSA-N 0 1 380.456 1.687 20 0 GDADMN C[C@H](CN(C)C(=O)C1[C@H]2CCCCCC[C@H]12)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704491 949387474 /nfs/dbraw/zinc/38/74/74/949387474.db2.gz NLIAKYTVPZZHGE-RDBSUJKOSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](NC(=O)C1CCOCC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263136 949389811 /nfs/dbraw/zinc/38/98/11/949389811.db2.gz DYIZPJJFMYTUMK-LBPRGKRZSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@H](CN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704489 949390278 /nfs/dbraw/zinc/39/02/78/949390278.db2.gz NLIAKYTVPZZHGE-MGPQQGTHSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CNC(=O)Cc1cnoc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574944364 949393627 /nfs/dbraw/zinc/39/36/27/949393627.db2.gz BIYAVTIFYBNRRK-ZETCQYMHSA-N 0 1 382.837 1.372 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575866384 949406264 /nfs/dbraw/zinc/40/62/64/949406264.db2.gz FQJDVIKWKWTZRE-QWRGUYRKSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574945567 949416402 /nfs/dbraw/zinc/41/64/02/949416402.db2.gz MOUWKHVXUNRTKA-LLVKDONJSA-N 0 1 381.444 1.023 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465102 949427716 /nfs/dbraw/zinc/42/77/16/949427716.db2.gz NQTCZUMOCJLBMU-ZDUSSCGKSA-N 0 1 381.444 1.295 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574465132 949430098 /nfs/dbraw/zinc/43/00/98/949430098.db2.gz PGZIRZMPEJQNGT-AWEZNQCLSA-N 0 1 380.456 1.640 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCCN1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574705899 949443977 /nfs/dbraw/zinc/44/39/77/949443977.db2.gz KIPFZFFHJYQPPJ-BXUZGUMPSA-N 0 1 392.895 1.658 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1=CCCC1 ZINC001576156576 949450449 /nfs/dbraw/zinc/45/04/49/949450449.db2.gz NDQXWCNFYOWNCY-BFUOFWGJSA-N 0 1 382.472 1.666 20 0 GDADMN C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575266440 949475268 /nfs/dbraw/zinc/47/52/68/949475268.db2.gz CZEXOVVTRBXKCG-GHMZBOCLSA-N 0 1 380.403 1.423 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574470412 949498488 /nfs/dbraw/zinc/49/84/88/949498488.db2.gz PNKVZFNRSBHISW-OAHLLOKOSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001576159035 949510587 /nfs/dbraw/zinc/51/05/87/949510587.db2.gz VYTIKYFPDDQAOZ-KBPBESRZSA-N 0 1 384.488 1.746 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNCc1ccon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576158885 949512296 /nfs/dbraw/zinc/51/22/96/949512296.db2.gz VMNOPCKVVKAAQR-SGTLLEGYSA-N 0 1 384.444 1.651 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576159396 949514464 /nfs/dbraw/zinc/51/44/64/949514464.db2.gz XERKFNNIYMCZGS-FPCVCCKLSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCC(=O)NCCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576163577 949534118 /nfs/dbraw/zinc/53/41/18/949534118.db2.gz CCCHSLHSABVOSU-KGLIPLIRSA-N 0 1 388.476 1.195 20 0 GDADMN C[C@H]1CCCC[C@H]1OCC(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001576163599 949541684 /nfs/dbraw/zinc/54/16/84/949541684.db2.gz CGMHNLWYUISMQM-SUMWQHHRSA-N 0 1 390.463 1.807 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cc[nH]n1 ZINC001573810901 949581344 /nfs/dbraw/zinc/58/13/44/949581344.db2.gz FMSLYWSWJIZMOU-CQSZACIVSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cc[nH]n1 ZINC001573810901 949581354 /nfs/dbraw/zinc/58/13/54/949581354.db2.gz FMSLYWSWJIZMOU-CQSZACIVSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001574127342 949611106 /nfs/dbraw/zinc/61/11/06/949611106.db2.gz GHKSKRCAISYMJQ-HNNXBMFYSA-N 0 1 392.479 1.645 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574957797 949634104 /nfs/dbraw/zinc/63/41/04/949634104.db2.gz IQZRBTVIYLLREJ-MAZHCROVSA-N 0 1 392.467 1.435 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001573816590 949680879 /nfs/dbraw/zinc/68/08/79/949680879.db2.gz SOURJGIRZUIVQD-JMERFSKESA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576169720 949687927 /nfs/dbraw/zinc/68/79/27/949687927.db2.gz ZWQSIXYPLCXUIW-DYVFJYSZSA-N 0 1 383.456 1.069 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716338 949688548 /nfs/dbraw/zinc/68/85/48/949688548.db2.gz JPPZNMNFJDCLFE-QWHCGFSZSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717724 949741485 /nfs/dbraw/zinc/74/14/85/949741485.db2.gz WULKISDYRWEJGR-KBPBESRZSA-N 0 1 380.456 1.531 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccncc1F ZINC001573818987 949745070 /nfs/dbraw/zinc/74/50/70/949745070.db2.gz QGLITXXKVYPLRV-HNNXBMFYSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCCC2CC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171014 949745732 /nfs/dbraw/zinc/74/57/32/949745732.db2.gz OPPPYUHDNLKFQO-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCOC1 ZINC001573818969 949746844 /nfs/dbraw/zinc/74/68/44/949746844.db2.gz PURWEYYABCCPOH-CZUORRHYSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C=Cc1ccc[nH]1 ZINC001573819324 949752648 /nfs/dbraw/zinc/75/26/48/949752648.db2.gz SYRQXZPOAUAHOL-MWWKQMNYSA-N 0 1 380.456 1.668 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574481020 949762439 /nfs/dbraw/zinc/76/24/39/949762439.db2.gz MCUJIEJCWGYVHR-HUUCEWRRSA-N 0 1 392.467 1.533 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574718329 949776168 /nfs/dbraw/zinc/77/61/68/949776168.db2.gz ZWQYPJHMDNMSCQ-BUXKBTBVSA-N 0 1 390.463 1.493 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576171788 949783509 /nfs/dbraw/zinc/78/35/09/949783509.db2.gz SGMADVQJCQKSMR-BLLLJJGKSA-N 0 1 381.444 1.267 20 0 GDADMN CC(C)C[C@H](C)CN1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001574138494 949792935 /nfs/dbraw/zinc/79/29/35/949792935.db2.gz FBQHQEYQODVLJT-DZGCQCFKSA-N 0 1 387.488 1.450 20 0 GDADMN C[C@H](CNC(=O)c1c(F)ccc(F)c1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574965325 949796963 /nfs/dbraw/zinc/79/69/63/949796963.db2.gz FUEKTNBGSXDZOP-SECBINFHSA-N 0 1 391.357 1.934 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)COc1ccccc1F ZINC001575281301 949808993 /nfs/dbraw/zinc/80/89/93/949808993.db2.gz FNRQJONGYBKCCT-NEPJUHHUSA-N 0 1 385.403 1.207 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC2(C)CC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172861 949823624 /nfs/dbraw/zinc/82/36/24/949823624.db2.gz YSRAVRTZXBOMPN-KGLIPLIRSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001576173769 949844452 /nfs/dbraw/zinc/84/44/52/949844452.db2.gz YSIQKXHWAMVTQH-XQLPTFJDSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574484038 949852485 /nfs/dbraw/zinc/85/24/85/949852485.db2.gz CTIZUZNXGBOXGH-STQMWFEESA-N 0 1 382.428 1.268 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573825173 949862858 /nfs/dbraw/zinc/86/28/58/949862858.db2.gz LLCLPEROYTYMAL-WUPBRDTRSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574484192 949867478 /nfs/dbraw/zinc/86/74/78/949867478.db2.gz FFLOFXNOGJPUDZ-UWVGGRQHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576177979 949869482 /nfs/dbraw/zinc/86/94/82/949869482.db2.gz AGIRHUAJGLZPIN-MEDUHNTESA-N 0 1 384.419 1.504 20 0 GDADMN CC1(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575564782 949873714 /nfs/dbraw/zinc/87/37/14/949873714.db2.gz SLXQUYSDRLQLKC-MRXNPFEDSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576178223 949884302 /nfs/dbraw/zinc/88/43/02/949884302.db2.gz GTHMZMQRRQRCLY-CMPLNLGQSA-N 0 1 387.473 1.077 20 0 GDADMN CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@H]3C2)CCC1 ZINC001575565956 949887655 /nfs/dbraw/zinc/88/76/55/949887655.db2.gz ZDWLINRCKIDONO-MELADBBJSA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)(C)/C=C/C(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573826011 949900499 /nfs/dbraw/zinc/90/04/99/949900499.db2.gz DWESNQQPXNAKKG-DYLGSBMWSA-N 0 1 385.472 1.315 20 0 GDADMN C[C@@H](NC(=O)COC1CCCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575284318 949903037 /nfs/dbraw/zinc/90/30/37/949903037.db2.gz UDWRAFZVYJAKQF-GFCCVEGCSA-N 0 1 390.513 1.824 20 0 GDADMN CC(C)(C)/C=C\C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573827117 949915050 /nfs/dbraw/zinc/91/50/50/949915050.db2.gz JTVKRPVZLNKICW-NTMALXAHSA-N 0 1 392.467 1.909 20 0 GDADMN C[C@@H](NC(=O)COCC(F)F)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575284798 949915353 /nfs/dbraw/zinc/91/53/53/949915353.db2.gz WOFBCIKEDFRBPX-LLVKDONJSA-N 0 1 380.399 1.085 20 0 GDADMN CC(C)(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573830656 949981548 /nfs/dbraw/zinc/98/15/48/949981548.db2.gz NCRKQKGFURGYTC-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573830656 949981567 /nfs/dbraw/zinc/98/15/67/949981567.db2.gz NCRKQKGFURGYTC-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cncs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574728449 949983741 /nfs/dbraw/zinc/98/37/41/949983741.db2.gz AECIEYBTJLKHBL-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN CC(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576181245 949992573 /nfs/dbraw/zinc/99/25/73/949992573.db2.gz SGIZOQVVNFWQHM-UONOGXRCSA-N 0 1 386.504 1.657 20 0 GDADMN CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC001589675589 949993664 /nfs/dbraw/zinc/99/36/64/949993664.db2.gz SHRZVJXCFKTYQZ-SJORKVTESA-N 0 1 376.453 1.811 20 0 GDADMN CC1(C(=O)NCC2(NCc3cc(-c4nn[nH]n4)ccc3F)CC2)CCOCC1 ZINC001575574921 950036622 /nfs/dbraw/zinc/03/66/22/950036622.db2.gz BXMRTDYSVUAYTJ-UHFFFAOYSA-N 0 1 388.447 1.561 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnccn1 ZINC001574150888 950046977 /nfs/dbraw/zinc/04/69/77/950046977.db2.gz GGBURSMPJDISGQ-GFCCVEGCSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnccn1 ZINC001574150888 950046999 /nfs/dbraw/zinc/04/69/99/950046999.db2.gz GGBURSMPJDISGQ-GFCCVEGCSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574150967 950049855 /nfs/dbraw/zinc/04/98/55/950049855.db2.gz IGLPAVKRLKVDOO-LXIYXOSZSA-N 0 1 390.513 1.585 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574150967 950049879 /nfs/dbraw/zinc/04/98/79/950049879.db2.gz IGLPAVKRLKVDOO-LXIYXOSZSA-N 0 1 390.513 1.585 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001573835392 950053322 /nfs/dbraw/zinc/05/33/22/950053322.db2.gz WQTPUUSCCCQZMH-BFHYXJOUSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574492005 950058234 /nfs/dbraw/zinc/05/82/34/950058234.db2.gz IEHCOBVRRGDMFP-XIKOKIGWSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cscn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574732211 950067283 /nfs/dbraw/zinc/06/72/83/950067283.db2.gz HAKNXZISOIQUQG-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cscn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574732211 950067302 /nfs/dbraw/zinc/06/73/02/950067302.db2.gz HAKNXZISOIQUQG-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183446 950091452 /nfs/dbraw/zinc/09/14/52/950091452.db2.gz SARYGDUFCMLEEM-SUMWQHHRSA-N 0 1 378.440 1.431 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1csnn1 ZINC001574151820 950094729 /nfs/dbraw/zinc/09/47/29/950094729.db2.gz YTVWBZSYHHQZRW-JTQLQIEISA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1csnn1 ZINC001574151820 950094750 /nfs/dbraw/zinc/09/47/50/950094750.db2.gz YTVWBZSYHHQZRW-JTQLQIEISA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574152740 950115236 /nfs/dbraw/zinc/11/52/36/950115236.db2.gz JAKLKJRWTXVXKC-ZBFHGGJFSA-N 0 1 386.504 1.546 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574152740 950115247 /nfs/dbraw/zinc/11/52/47/950115247.db2.gz JAKLKJRWTXVXKC-ZBFHGGJFSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184863 950141662 /nfs/dbraw/zinc/14/16/62/950141662.db2.gz XGOATRNQXPXZOC-UKRRQHHQSA-N 0 1 383.456 1.274 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001574494268 950160670 /nfs/dbraw/zinc/16/06/70/950160670.db2.gz JNCOMBZCMIGJSA-IUCAKERBSA-N 0 1 392.407 1.083 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C)(C)C1CCC1 ZINC001574154149 950165043 /nfs/dbraw/zinc/16/50/43/950165043.db2.gz CEOCBTZMHVVLSC-CQSZACIVSA-N 0 1 386.504 1.848 20 0 GDADMN C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001576191419 950197121 /nfs/dbraw/zinc/19/71/21/950197121.db2.gz GBLMPSFGSPJWGB-CQSZACIVSA-N 0 1 389.479 1.997 20 0 GDADMN C[C@H]1[C@@H](NCc2cc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575900922 950211409 /nfs/dbraw/zinc/21/14/09/950211409.db2.gz JQPIXGNMXZSPFK-HZMBPMFUSA-N 0 1 382.428 1.453 20 0 GDADMN C[C@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574740696 950230265 /nfs/dbraw/zinc/23/02/65/950230265.db2.gz FCBAFTWYECNYKK-LLVKDONJSA-N 0 1 383.460 1.277 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574157389 950233065 /nfs/dbraw/zinc/23/30/65/950233065.db2.gz AHHIPFLXOKRECR-AUUYWEPGSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001574157483 950239248 /nfs/dbraw/zinc/23/92/48/950239248.db2.gz BZLXKJXPRYEYPO-BFHYXJOUSA-N 0 1 386.504 1.704 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574157869 950257219 /nfs/dbraw/zinc/25/72/19/950257219.db2.gz KJMZFIXKMDYRIP-CABCVRRESA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574158009 950266331 /nfs/dbraw/zinc/26/63/31/950266331.db2.gz MWSUJYUUCSIIMZ-CABCVRRESA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1ccsc1 ZINC001574158327 950277748 /nfs/dbraw/zinc/27/77/48/950277748.db2.gz QWHVFUNNVPRCGE-CYBMUJFWSA-N 0 1 386.485 1.326 20 0 GDADMN C[C@@]1(C(=O)NCCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592689 950296412 /nfs/dbraw/zinc/29/64/12/950296412.db2.gz JJNLNQJTIIDYSP-LJQANCHMSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@@H](CC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574499441 950298947 /nfs/dbraw/zinc/29/89/47/950298947.db2.gz VNXKKNCKSXIFEK-NFOMZHRRSA-N 0 1 380.456 1.443 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC001576193940 950322645 /nfs/dbraw/zinc/32/26/45/950322645.db2.gz WOXTVRMCDAOOAC-SUMWQHHRSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC001576193940 950322664 /nfs/dbraw/zinc/32/26/64/950322664.db2.gz WOXTVRMCDAOOAC-SUMWQHHRSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576194486 950348984 /nfs/dbraw/zinc/34/89/84/950348984.db2.gz ZILRZCPWOVVIFY-KBPBESRZSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576194486 950348994 /nfs/dbraw/zinc/34/89/94/950348994.db2.gz ZILRZCPWOVVIFY-KBPBESRZSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@H]1[C@@H](NCc2ccncc2Cl)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908814 950376190 /nfs/dbraw/zinc/37/61/90/950376190.db2.gz FDFWBDNRTGBAHU-HZMBPMFUSA-N 0 1 386.847 1.636 20 0 GDADMN CC(C)CC1(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162455 950382267 /nfs/dbraw/zinc/38/22/67/950382267.db2.gz AUHSHWMIWNUTKB-KGLIPLIRSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573856504 950382793 /nfs/dbraw/zinc/38/27/93/950382793.db2.gz AWHHZSVRYOLMBZ-GXTWGEPZSA-N 0 1 392.435 1.323 20 0 GDADMN CC(C)CC1(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162579 950388358 /nfs/dbraw/zinc/38/83/58/950388358.db2.gz DOISBBZELOQDSM-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574503052 950399373 /nfs/dbraw/zinc/39/93/73/950399373.db2.gz SPRMTUKXMJKYIO-YOEHRIQHSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198368 950409242 /nfs/dbraw/zinc/40/92/42/950409242.db2.gz SEOOJIUDMQAIDY-GDBMZVCRSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cccc(F)c1F ZINC001574747243 950410265 /nfs/dbraw/zinc/41/02/65/950410265.db2.gz SLTNRHHKAWFQOW-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576199181 950420111 /nfs/dbraw/zinc/42/01/11/950420111.db2.gz XCEDOSBNXWVZMB-KGLIPLIRSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576199181 950420118 /nfs/dbraw/zinc/42/01/18/950420118.db2.gz XCEDOSBNXWVZMB-KGLIPLIRSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc(-c2ccccc2)no1 ZINC001574994495 950484472 /nfs/dbraw/zinc/48/44/72/950484472.db2.gz SBLDXFDRJNFWML-LBPRGKRZSA-N 0 1 392.423 1.758 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001573869292 950562862 /nfs/dbraw/zinc/56/28/62/950562862.db2.gz NUPYPGKTNDIEEE-GJZGRUSLSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574999046 950569071 /nfs/dbraw/zinc/56/90/71/950569071.db2.gz DXFJDMCXIPJNKD-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575000262 950597311 /nfs/dbraw/zinc/59/73/11/950597311.db2.gz BSPDICXLYJPALV-QMMMGPOBSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575000262 950597329 /nfs/dbraw/zinc/59/73/29/950597329.db2.gz BSPDICXLYJPALV-QMMMGPOBSA-N 0 1 380.865 1.223 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574173902 950606440 /nfs/dbraw/zinc/60/64/40/950606440.db2.gz OSMXRKBTZQYWCA-LJQANCHMSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576208683 950615016 /nfs/dbraw/zinc/61/50/16/950615016.db2.gz SHABQDCJQTZFLI-MGPQQGTHSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576208683 950615026 /nfs/dbraw/zinc/61/50/26/950615026.db2.gz SHABQDCJQTZFLI-MGPQQGTHSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576208682 950616614 /nfs/dbraw/zinc/61/66/14/950616614.db2.gz SHABQDCJQTZFLI-MELADBBJSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576208682 950616626 /nfs/dbraw/zinc/61/66/26/950616626.db2.gz SHABQDCJQTZFLI-MELADBBJSA-N 0 1 387.463 1.654 20 0 GDADMN CC1(C)C(C(=O)NC[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)C1(C)C ZINC001575619243 950617928 /nfs/dbraw/zinc/61/79/28/950617928.db2.gz NKKLTWZKPGXYRW-ZDUSSCGKSA-N 0 1 390.463 1.255 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)no1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575000827 950619046 /nfs/dbraw/zinc/61/90/46/950619046.db2.gz GMHWBJKUHPPPKN-MRVPVSSYSA-N 0 1 379.783 1.555 20 0 GDADMN C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575001867 950644685 /nfs/dbraw/zinc/64/46/85/950644685.db2.gz NSBLEAZGNZIGOJ-NSHDSACASA-N 0 1 383.481 1.712 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574518319 950649979 /nfs/dbraw/zinc/64/99/79/950649979.db2.gz NMVUHENRSGPRNJ-BPLDGKMQSA-N 0 1 378.440 1.332 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)c[nH]1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575002323 950658258 /nfs/dbraw/zinc/65/82/58/950658258.db2.gz SCCZIQKFLFZHJU-ZCFIWIBFSA-N 0 1 384.828 1.699 20 0 GDADMN C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575002605 950663754 /nfs/dbraw/zinc/66/37/54/950663754.db2.gz VXBJAJGCDMGFOQ-GFCCVEGCSA-N 0 1 381.440 1.988 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1ccnc1 ZINC001574518962 950664813 /nfs/dbraw/zinc/66/48/13/950664813.db2.gz SCLMRFINNIHSRN-JHJVBQTASA-N 0 1 386.485 1.513 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1ccnc1 ZINC001574518964 950666052 /nfs/dbraw/zinc/66/60/52/950666052.db2.gz SCLMRFINNIHSRN-RWMBFGLXSA-N 0 1 386.485 1.513 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc2ccccc12 ZINC001575924337 950670902 /nfs/dbraw/zinc/67/09/02/950670902.db2.gz SBTRODPOKPDXNS-RISCZKNCSA-N 0 1 390.407 1.540 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)c[nH]1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575003164 950673822 /nfs/dbraw/zinc/67/38/22/950673822.db2.gz YLPKFBNNQPMGKW-LURJTMIESA-N 0 1 384.828 1.922 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001589744892 950673968 /nfs/dbraw/zinc/67/39/68/950673968.db2.gz JQMBEZCJORLGLG-IKGGRYGDSA-N 0 1 388.468 1.197 20 0 GDADMN C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575006516 950718975 /nfs/dbraw/zinc/71/89/75/950718975.db2.gz VGWWIIMXHWIHED-CYBMUJFWSA-N 0 1 380.456 1.654 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576216598 950738777 /nfs/dbraw/zinc/73/87/77/950738777.db2.gz DUNBUOYATRTIGO-NWDGAFQWSA-N 0 1 391.426 1.625 20 0 GDADMN CC(C)(C)c1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001573881260 950749728 /nfs/dbraw/zinc/74/97/28/950749728.db2.gz BPXFAQNEUDPMCY-OAHLLOKOSA-N 0 1 392.467 1.703 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccccc1F ZINC001575927859 950761562 /nfs/dbraw/zinc/76/15/62/950761562.db2.gz VIMHPAWLESYIDI-MLGOLLRUSA-N 0 1 381.415 1.467 20 0 GDADMN CC(C)c1noc([C@@H](C)NC[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001575009091 950773096 /nfs/dbraw/zinc/77/30/96/950773096.db2.gz NHKWJSJCJHBSRS-GHMZBOCLSA-N 0 1 387.448 1.418 20 0 GDADMN CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)co1 ZINC001573884571 950796084 /nfs/dbraw/zinc/79/60/84/950796084.db2.gz NJYJPWAVIVWRQE-NSHDSACASA-N 0 1 382.428 1.296 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccnnc1 ZINC001575931123 950799617 /nfs/dbraw/zinc/79/96/17/950799617.db2.gz GWTQSBMPNVSPOQ-VXNVDRBHSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766893 950830972 /nfs/dbraw/zinc/83/09/72/950830972.db2.gz NYSFNRYCPLBQEM-QMMMGPOBSA-N 0 1 378.343 1.182 20 0 GDADMN CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574767384 950846250 /nfs/dbraw/zinc/84/62/50/950846250.db2.gz NHYGZXFLHARGJW-SNVBAGLBSA-N 0 1 387.473 1.231 20 0 GDADMN CCOC(=O)C1=C(C[NH+]2CCC(C)(C(=O)[O-])CC2)NC(=O)N[C@@H]1c1ccco1 ZINC001590178646 950857150 /nfs/dbraw/zinc/85/71/50/950857150.db2.gz JHLSJHROIWSJTP-OAHLLOKOSA-N 0 1 391.424 1.637 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=CCOCC1 ZINC001574524453 950858764 /nfs/dbraw/zinc/85/87/64/950858764.db2.gz WNKIHUAHNAWTPI-NWDGAFQWSA-N 0 1 376.486 1.648 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=CCOCC1 ZINC001574524453 950858777 /nfs/dbraw/zinc/85/87/77/950858777.db2.gz WNKIHUAHNAWTPI-NWDGAFQWSA-N 0 1 376.486 1.648 20 0 GDADMN CC1(C)CC(CN2CC3(C2)C[C@H](NC(=O)c2c[nH]c(-c4nn[nH]n4)c2)CO3)C1 ZINC001575639068 950860413 /nfs/dbraw/zinc/86/04/13/950860413.db2.gz ONYCCRPUKAFUEL-AWEZNQCLSA-N 0 1 385.472 1.204 20 0 GDADMN C[C@@H](CN(C)C(=O)c1csnn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574767663 950866393 /nfs/dbraw/zinc/86/63/93/950866393.db2.gz UKGCDJLSSWTSHA-YFKPBYRVSA-N 0 1 385.866 1.401 20 0 GDADMN CC(C)c1scnc1C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574767892 950867549 /nfs/dbraw/zinc/86/75/49/950867549.db2.gz RCTABWBJEJXDTH-NSHDSACASA-N 0 1 386.485 1.836 20 0 GDADMN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001575936906 950932854 /nfs/dbraw/zinc/93/28/54/950932854.db2.gz AOOFAPKXFMQVSR-SMDDNHRTSA-N 0 1 380.412 1.450 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576229863 950984834 /nfs/dbraw/zinc/98/48/34/950984834.db2.gz OMZKMJJNKCVCKX-CJNGLKHVSA-N 0 1 381.484 1.913 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001575017410 950995699 /nfs/dbraw/zinc/99/56/99/950995699.db2.gz FHGMTAXRVBCLFZ-LBPRGKRZSA-N 0 1 380.456 1.607 20 0 GDADMN CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573900386 951003251 /nfs/dbraw/zinc/00/32/51/951003251.db2.gz ZJRDULCCDKCCPU-GASCZTMLSA-N 0 1 392.467 1.506 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024581 951110585 /nfs/dbraw/zinc/11/05/85/951110585.db2.gz IDRRCOLPPYMCID-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001575024688 951111820 /nfs/dbraw/zinc/11/18/20/951111820.db2.gz KUPLTQSIPXDYDV-NSHDSACASA-N 0 1 384.419 1.119 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)c(C(=O)[O-])c1C ZINC001591426385 951138042 /nfs/dbraw/zinc/13/80/42/951138042.db2.gz PSSWNOQOXMZTNL-GHMZBOCLSA-N 0 1 384.454 1.715 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)C[C@H](O)C2CC2)c(C(=O)[O-])c1C ZINC001591426652 951139738 /nfs/dbraw/zinc/13/97/38/951139738.db2.gz STQCHLXJWDSNRT-NSHDSACASA-N 0 1 384.454 1.573 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)C[C@H](O)C2CC2)c(C(=O)[O-])c1C ZINC001591426652 951139749 /nfs/dbraw/zinc/13/97/49/951139749.db2.gz STQCHLXJWDSNRT-NSHDSACASA-N 0 1 384.454 1.573 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)C[C@H](C)C(=O)NC)c(C(=O)[O-])c1C ZINC001591427019 951142603 /nfs/dbraw/zinc/14/26/03/951142603.db2.gz YVVGTFOBOFCHHX-VIFPVBQESA-N 0 1 399.469 1.184 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)C[C@H](C)C(=O)NC)c(C(=O)[O-])c1C ZINC001591427019 951142610 /nfs/dbraw/zinc/14/26/10/951142610.db2.gz YVVGTFOBOFCHHX-VIFPVBQESA-N 0 1 399.469 1.184 20 0 GDADMN CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027378 951155283 /nfs/dbraw/zinc/15/52/83/951155283.db2.gz FULWVTIUGDBLGD-GFCCVEGCSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@@H](CNC(=O)c1cncs1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575054575 951493073 /nfs/dbraw/zinc/49/30/73/951493073.db2.gz YLULPTIARMFFCX-LURJTMIESA-N 0 1 384.878 1.688 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(CCF)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575055406 951506406 /nfs/dbraw/zinc/50/64/06/951506406.db2.gz SLXQAWAEPIQUQU-NSHDSACASA-N 0 1 390.398 1.080 20 0 GDADMN C[C@@H](CNC(=O)c1nsc2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001575066355 951594685 /nfs/dbraw/zinc/59/46/85/951594685.db2.gz KMWKVBYNRIGCCI-JTQLQIEISA-N 0 1 380.437 1.524 20 0 GDADMN C[C@@H](CNCc1c(F)cccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082460 951734418 /nfs/dbraw/zinc/73/44/18/951734418.db2.gz ZHPHBQKFMOILCD-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575089898 951754570 /nfs/dbraw/zinc/75/45/70/951754570.db2.gz IIAKVADUDQVSOP-BFUOFWGJSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCC1(F)F ZINC001575090094 951757464 /nfs/dbraw/zinc/75/74/64/951757464.db2.gz JIXQKHNFRKKBDN-MFKMUULPSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575090962 951766776 /nfs/dbraw/zinc/76/67/76/951766776.db2.gz ONYABIQGPBCCEU-BBRMVZONSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575090964 951766875 /nfs/dbraw/zinc/76/68/75/951766875.db2.gz ONYABIQGPBCCEU-CZUORRHYSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575091093 951768621 /nfs/dbraw/zinc/76/86/21/951768621.db2.gz PBPSDZQTDVBJEH-UONOGXRCSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575091094 951768846 /nfs/dbraw/zinc/76/88/46/951768846.db2.gz PBPSDZQTDVBJEH-ZIAGYGMSSA-N 0 1 390.463 1.759 20 0 GDADMN O=C([O-])CN1CCCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001595091286 951775758 /nfs/dbraw/zinc/77/57/58/951775758.db2.gz OZWZOINBMKNBQZ-IAGOWNOFSA-N 0 1 388.468 1.026 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ncccc1F ZINC001575091520 951778707 /nfs/dbraw/zinc/77/87/07/951778707.db2.gz TYUBIFJIUIIUMP-NSHDSACASA-N 0 1 387.394 1.790 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)COC1CCCC1 ZINC001575101124 951854599 /nfs/dbraw/zinc/85/45/99/951854599.db2.gz ZVCAUYXSOGIYAZ-LBPRGKRZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)COC1CCCC1 ZINC001575101124 951854604 /nfs/dbraw/zinc/85/46/04/951854604.db2.gz ZVCAUYXSOGIYAZ-LBPRGKRZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CNCc1nc2c(o1)CCCC2)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117053 951975399 /nfs/dbraw/zinc/97/53/99/951975399.db2.gz KRZBHOJTGJQELS-NSHDSACASA-N 0 1 384.444 1.217 20 0 GDADMN O=C([O-])CS(=O)(=O)CC[NH2+]C1(c2ccccc2Br)CCC1 ZINC001595124104 951995840 /nfs/dbraw/zinc/99/58/40/951995840.db2.gz KJZNALKASSHNAX-UHFFFAOYSA-N 0 1 376.272 1.917 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575131745 952089652 /nfs/dbraw/zinc/08/96/52/952089652.db2.gz AYBJHMABCNLMSX-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575131745 952089662 /nfs/dbraw/zinc/08/96/62/952089662.db2.gz AYBJHMABCNLMSX-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN O=C([O-])Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nn1 ZINC001595143799 952104651 /nfs/dbraw/zinc/10/46/51/952104651.db2.gz XCWQRQNHYVQHDI-CHWSQXEVSA-N 0 1 397.357 1.155 20 0 GDADMN O=C([O-])Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nn1 ZINC001595143799 952104652 /nfs/dbraw/zinc/10/46/52/952104652.db2.gz XCWQRQNHYVQHDI-CHWSQXEVSA-N 0 1 397.357 1.155 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001575144337 952164796 /nfs/dbraw/zinc/16/47/96/952164796.db2.gz HUQWPPVSJPCXOR-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCc1ccccc1F ZINC001575144838 952171549 /nfs/dbraw/zinc/17/15/49/952171549.db2.gz YEBYSCDEMIKDIA-GFCCVEGCSA-N 0 1 384.419 1.109 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(c2ccccc2)CCC1 ZINC001575144908 952173729 /nfs/dbraw/zinc/17/37/29/952173729.db2.gz ZCXBZUSMQBBDAM-AWEZNQCLSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575146014 952189689 /nfs/dbraw/zinc/18/96/89/952189689.db2.gz FVPVYKWVVSTSKS-GFCCVEGCSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575146272 952192778 /nfs/dbraw/zinc/19/27/78/952192778.db2.gz JRCUIMRPKPFFTP-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccc2nccnc21 ZINC001575146813 952196849 /nfs/dbraw/zinc/19/68/49/952196849.db2.gz OBNSAKCWQSEZCY-LBPRGKRZSA-N 0 1 389.423 1.199 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575147937 952202053 /nfs/dbraw/zinc/20/20/53/952202053.db2.gz XBCNHHGEARHRTF-LBPRGKRZSA-N 0 1 378.440 1.529 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CC[N@@H+](CCCC(=O)[O-])C1 ZINC001602895195 971817350 /nfs/dbraw/zinc/81/73/50/971817350.db2.gz XFEGUZZSBNVUJZ-MCIONIFRSA-N 0 1 383.445 1.366 20 0 GDADMN C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)Cc1ccn[nH]1 ZINC001575164025 952285652 /nfs/dbraw/zinc/28/56/52/952285652.db2.gz ASIYIXHISXUBQW-SECBINFHSA-N 0 1 375.824 1.140 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cncn1C ZINC001575165319 952306662 /nfs/dbraw/zinc/30/66/62/952306662.db2.gz NIVNHDBFPUEFDR-ZETCQYMHSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)CCC[NH+](C)C ZINC001575166006 952317914 /nfs/dbraw/zinc/31/79/14/952317914.db2.gz RVOLVIRZTRXZAA-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)CCC[NH+](C)C ZINC001575166006 952317920 /nfs/dbraw/zinc/31/79/20/952317920.db2.gz RVOLVIRZTRXZAA-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575165962 952318087 /nfs/dbraw/zinc/31/80/87/952318087.db2.gz RJGPXVUOHNCGMR-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575165962 952318096 /nfs/dbraw/zinc/31/80/96/952318096.db2.gz RJGPXVUOHNCGMR-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575165962 952318104 /nfs/dbraw/zinc/31/81/04/952318104.db2.gz RJGPXVUOHNCGMR-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575165962 952318111 /nfs/dbraw/zinc/31/81/11/952318111.db2.gz RJGPXVUOHNCGMR-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575174129 952366655 /nfs/dbraw/zinc/36/66/55/952366655.db2.gz HPVTXFIZIJKKEB-ZIAGYGMSSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575174129 952366661 /nfs/dbraw/zinc/36/66/61/952366661.db2.gz HPVTXFIZIJKKEB-ZIAGYGMSSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575174129 952366665 /nfs/dbraw/zinc/36/66/65/952366665.db2.gz HPVTXFIZIJKKEB-ZIAGYGMSSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575174129 952366669 /nfs/dbraw/zinc/36/66/69/952366669.db2.gz HPVTXFIZIJKKEB-ZIAGYGMSSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575190507 952463193 /nfs/dbraw/zinc/46/31/93/952463193.db2.gz SZEQPRMXXLAZIV-ZIAGYGMSSA-N 0 1 381.440 1.416 20 0 GDADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N[C@@H]3CCOC3(C)C)CC2)o1 ZINC001571116795 952477032 /nfs/dbraw/zinc/47/70/32/952477032.db2.gz CLKSINOCMLLHHY-GFCCVEGCSA-N 0 1 375.433 1.063 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575197034 952479759 /nfs/dbraw/zinc/47/97/59/952479759.db2.gz MCSOSOPGEPTKRV-OLZOCXBDSA-N 0 1 382.428 1.071 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CC(Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200221 952493059 /nfs/dbraw/zinc/49/30/59/952493059.db2.gz APQODSAWRZJDQC-ZOODHJKOSA-N 0 1 381.444 1.265 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCCN(C)c1ncccc1-c1nn[nH]n1 ZINC001575201195 952502018 /nfs/dbraw/zinc/50/20/18/952502018.db2.gz HMDUREUUGNIGEB-ZDUSSCGKSA-N 0 1 383.460 1.148 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](Nc1ccc(-c2nn[nH]n2)cn1)C1CC1 ZINC001575201825 952508325 /nfs/dbraw/zinc/50/83/25/952508325.db2.gz QYQFJJGVEAPAFP-NHYWBVRUSA-N 0 1 381.444 1.170 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571121958 952524101 /nfs/dbraw/zinc/52/41/01/952524101.db2.gz GHFZTTFCMKVXDC-SGMGOOAPSA-N 0 1 376.486 1.386 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571121958 952524103 /nfs/dbraw/zinc/52/41/03/952524103.db2.gz GHFZTTFCMKVXDC-SGMGOOAPSA-N 0 1 376.486 1.386 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571121958 952524105 /nfs/dbraw/zinc/52/41/05/952524105.db2.gz GHFZTTFCMKVXDC-SGMGOOAPSA-N 0 1 376.486 1.386 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571121958 952524107 /nfs/dbraw/zinc/52/41/07/952524107.db2.gz GHFZTTFCMKVXDC-SGMGOOAPSA-N 0 1 376.486 1.386 20 0 GDADMN O=S(=O)(N[C@@H]1CCc2cc(Cl)ccc21)c1cccnc1-c1nn[nH]n1 ZINC001571123146 952529841 /nfs/dbraw/zinc/52/98/41/952529841.db2.gz QHAMRHIKJNCSJK-GFCCVEGCSA-N 0 1 376.829 1.881 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001571130932 952582870 /nfs/dbraw/zinc/58/28/70/952582870.db2.gz YWOADHKEGWONOC-JTQLQIEISA-N 0 1 378.387 1.129 20 0 GDADMN Cc1cnccc1C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571134191 952587021 /nfs/dbraw/zinc/58/70/21/952587021.db2.gz GBYUKIHLRBICJX-ZIAGYGMSSA-N 0 1 378.440 1.207 20 0 GDADMN Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ccn1 ZINC001571134449 952590985 /nfs/dbraw/zinc/59/09/85/952590985.db2.gz GOQRESHEKAESHG-OTVXOJSOSA-N 0 1 378.440 1.316 20 0 GDADMN Cc1cc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc[nH]c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135142 952600662 /nfs/dbraw/zinc/60/06/62/952600662.db2.gz POHSHBCXAWLLLQ-JKSUJKDBSA-N 0 1 378.440 1.782 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)c3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135524 952604587 /nfs/dbraw/zinc/60/45/87/952604587.db2.gz WEANAVQOHGBDOH-UKRRQHHQSA-N 0 1 378.440 1.464 20 0 GDADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000383158141 971852978 /nfs/dbraw/zinc/85/29/78/971852978.db2.gz OBRFHRGPMGYXMX-AWEZNQCLSA-N 0 1 395.506 1.984 20 0 GDADMN C[C@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001571140033 952623234 /nfs/dbraw/zinc/62/32/34/952623234.db2.gz NPJGJGLKUAMZRX-LLVKDONJSA-N 0 1 379.415 1.980 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1[O-] ZINC001571140261 952624765 /nfs/dbraw/zinc/62/47/65/952624765.db2.gz BAXJFCRCDSKVBL-IUODEOHRSA-N 0 1 379.424 1.360 20 0 GDADMN COc1cccnc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571142626 952643869 /nfs/dbraw/zinc/64/38/69/952643869.db2.gz YVUCZFYGUZHXNC-HNNXBMFYSA-N 0 1 379.424 1.275 20 0 GDADMN Cc1ccc([C@H](CC(F)(F)F)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001571152908 952684103 /nfs/dbraw/zinc/68/41/03/952684103.db2.gz KTUUANZSIPIBSC-NSHDSACASA-N 0 1 380.334 1.577 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001571155554 952698707 /nfs/dbraw/zinc/69/87/07/952698707.db2.gz WLQKQAYVZCQTDM-QWRGUYRKSA-N 0 1 380.403 1.375 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)ccn1 ZINC001571156822 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CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@](C(=O)[O-])(C(F)(F)F)C3)cc2)CC1 ZINC000909763316 981592237 /nfs/dbraw/zinc/59/22/37/981592237.db2.gz RUWXYKYYGCJEDK-SFHVURJKSA-N 0 1 399.413 1.913 20 0 GDADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1 ZINC000910532291 981985546 /nfs/dbraw/zinc/98/55/46/981985546.db2.gz YIMFRDCDQKEITD-YWZLYKJASA-N 0 1 376.453 1.601 20 0 GDADMN CC[C@H](C)[C@@H](NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C)C(F)(F)F ZINC001594884647 982264572 /nfs/dbraw/zinc/26/45/72/982264572.db2.gz YBQCOECVADZLHF-DMDPSCGWSA-N 0 1 381.395 1.087 20 0 GDADMN CC[C@H](C)[C@@H](NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)C(F)(F)F ZINC001594884647 982264573 /nfs/dbraw/zinc/26/45/73/982264573.db2.gz YBQCOECVADZLHF-DMDPSCGWSA-N 0 1 381.395 1.087 20 0 GDADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC001594888858 982278855 /nfs/dbraw/zinc/27/88/55/982278855.db2.gz AHAZAGMCJOASJQ-UGSOOPFHSA-N 0 1 393.459 1.635 20 0 GDADMN CN1CC[N@@H+](CCCNC(=O)c2cncc(C(=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000911197281 982278925 /nfs/dbraw/zinc/27/89/25/982278925.db2.gz KIYGATLKCGDJKB-LJQANCHMSA-N 0 1 382.464 1.888 20 0 GDADMN C[N@@H+]1CCN(CCCNC(=O)c2cncc(C(=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000911197281 982278931 /nfs/dbraw/zinc/27/89/31/982278931.db2.gz KIYGATLKCGDJKB-LJQANCHMSA-N 0 1 382.464 1.888 20 0 GDADMN C[N@H+]1CCN(CCCNC(=O)c2cncc(C(=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000911197281 982278941 /nfs/dbraw/zinc/27/89/41/982278941.db2.gz KIYGATLKCGDJKB-LJQANCHMSA-N 0 1 382.464 1.888 20 0 GDADMN CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1)C(=O)[O-] ZINC001594891227 982288519 /nfs/dbraw/zinc/28/85/19/982288519.db2.gz KMQXWADHERQYHJ-CRAIPNDOSA-N 0 1 381.517 1.572 20 0 GDADMN O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)O1 ZINC000911246269 982310662 /nfs/dbraw/zinc/31/06/62/982310662.db2.gz BOPIDQWGRPGGPL-ZWKOTPCHSA-N 0 1 376.453 1.912 20 0 GDADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001594894498 982321760 /nfs/dbraw/zinc/32/17/60/982321760.db2.gz TWUCQGSBFFVJGT-DNMXQMFDSA-N 0 1 376.453 1.491 20 0 GDADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001594894498 982321768 /nfs/dbraw/zinc/32/17/68/982321768.db2.gz TWUCQGSBFFVJGT-DNMXQMFDSA-N 0 1 376.453 1.491 20 0 GDADMN C[C@@H]1C[C@H](C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)O[C@H]1C(=O)[O-] ZINC000911265521 982322750 /nfs/dbraw/zinc/32/27/50/982322750.db2.gz JPKKMFCLVDTMIE-LTCOOKNTSA-N 0 1 376.453 1.402 20 0 GDADMN C[C@@H]1C[C@H](C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)O[C@H]1C(=O)[O-] ZINC000911265521 982322757 /nfs/dbraw/zinc/32/27/57/982322757.db2.gz JPKKMFCLVDTMIE-LTCOOKNTSA-N 0 1 376.453 1.402 20 0 GDADMN CCCCNC(=O)CN1CC[NH+](Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001595754620 982442961 /nfs/dbraw/zinc/44/29/61/982442961.db2.gz QMKVHRDZAUXNMG-UHFFFAOYSA-N 0 1 384.480 1.967 20 0 GDADMN CCOc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1OCC(=O)[O-] ZINC000911577630 982513953 /nfs/dbraw/zinc/51/39/53/982513953.db2.gz DGKGKHDKZARDKT-CQSZACIVSA-N 0 1 394.468 1.466 20 0 GDADMN CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000911797625 982647325 /nfs/dbraw/zinc/64/73/25/982647325.db2.gz WXMUNAVGXZFSLY-JOCHJYFZSA-N 0 1 398.459 1.859 20 0 GDADMN O=C([O-])c1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000917753550 982681713 /nfs/dbraw/zinc/68/17/13/982681713.db2.gz RGCXQXRXSDREKH-UHFFFAOYSA-N 0 1 375.450 1.723 20 0 GDADMN O=C([O-])c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000926496550 982892430 /nfs/dbraw/zinc/89/24/30/982892430.db2.gz HJNQGHJIYHMXED-UHFFFAOYSA-N 0 1 393.440 1.862 20 0 GDADMN CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC001595906500 982973028 /nfs/dbraw/zinc/97/30/28/982973028.db2.gz BOOIVQLZXGTJPM-HNNXBMFYSA-N 0 1 379.482 1.543 20 0 GDADMN CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001595909994 983001591 /nfs/dbraw/zinc/00/15/91/983001591.db2.gz XESOYWHVDGZTOS-JKSUJKDBSA-N 0 1 399.499 1.911 20 0 GDADMN C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001119617537 983006203 /nfs/dbraw/zinc/00/62/03/983006203.db2.gz LKUYPJVKLWMJDP-GWCFXTLKSA-N 0 1 376.272 1.941 20 0 GDADMN CCN(C1CC[NH+](Cc2c(C)nn(CCC(=O)[O-])c2C)CC1)S(C)(=O)=O ZINC001596196662 983579338 /nfs/dbraw/zinc/57/93/38/983579338.db2.gz JYCFHEYGVOMGMK-UHFFFAOYSA-N 0 1 386.518 1.221 20 0 GDADMN CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001596197456 983581565 /nfs/dbraw/zinc/58/15/65/983581565.db2.gz WNQAUWPLTPYWDN-HIFRSBDPSA-N 0 1 392.481 1.954 20 0 GDADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(O)(C(=O)[O-])CC2)c1 ZINC001596254055 983660194 /nfs/dbraw/zinc/66/01/94/983660194.db2.gz ZKPNCMLDBWKZJY-AWEZNQCLSA-N 0 1 391.468 1.407 20 0 GDADMN CC[N@H+](CCOCCO)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001596345557 983793711 /nfs/dbraw/zinc/79/37/11/983793711.db2.gz MSXYOPXHRJBJQC-UHFFFAOYSA-N 0 1 379.240 1.961 20 0 GDADMN CC[N@@H+](CCOCCO)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001596345557 983793716 /nfs/dbraw/zinc/79/37/16/983793716.db2.gz MSXYOPXHRJBJQC-UHFFFAOYSA-N 0 1 379.240 1.961 20 0 GDADMN CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)[C@H](C)C1 ZINC001596403587 983966314 /nfs/dbraw/zinc/96/63/14/983966314.db2.gz KQEDKQXKWHZUHK-WOPDTQHZSA-N 0 1 382.486 1.207 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1=O ZINC001596418526 984044655 /nfs/dbraw/zinc/04/46/55/984044655.db2.gz OQUYCTAPPOJYLK-VNIVASGNSA-N 0 1 377.485 1.031 20 0 GDADMN CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001596420982 984050585 /nfs/dbraw/zinc/05/05/85/984050585.db2.gz DJPQXHZBOFTCRS-MRVPVSSYSA-N 0 1 397.316 1.971 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001596420982 984050595 /nfs/dbraw/zinc/05/05/95/984050595.db2.gz DJPQXHZBOFTCRS-MRVPVSSYSA-N 0 1 397.316 1.971 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2ccsc2C(=O)[O-])CC1=O ZINC001596421406 984055092 /nfs/dbraw/zinc/05/50/92/984055092.db2.gz JVULIWIILWLZFJ-UONOGXRCSA-N 0 1 380.466 1.822 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cc(C)c(C(=O)[O-])o2)CC1=O ZINC001596422367 984061646 /nfs/dbraw/zinc/06/16/46/984061646.db2.gz WRTCSXSCVJFNTO-KBPBESRZSA-N 0 1 377.441 1.235 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC001596422734 984064005 /nfs/dbraw/zinc/06/40/05/984064005.db2.gz ZLDZNRJLNQBARO-CABCVRRESA-N 0 1 392.427 1.900 20 0 GDADMN CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001596427907 984090693 /nfs/dbraw/zinc/09/06/93/984090693.db2.gz WNDUZPWRIXAMKQ-SFHVURJKSA-N 0 1 398.463 1.218 20 0 GDADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cncc(C(=O)[O-])c3)cc2)CC1 ZINC001596432500 984105607 /nfs/dbraw/zinc/10/56/07/984105607.db2.gz WHCQHXIXVKRNHR-UHFFFAOYSA-N 0 1 382.420 1.810 20 0 GDADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC001596433774 984106901 /nfs/dbraw/zinc/10/69/01/984106901.db2.gz CFXWJXLHQJITOP-MRXNPFEDSA-N 0 1 392.500 1.336 20 0 GDADMN CC[NH+]1CCN(CCCCNC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC001596436708 984124038 /nfs/dbraw/zinc/12/40/38/984124038.db2.gz NWSVOBQSHZBNJV-UHFFFAOYSA-N 0 1 380.493 1.242 20 0 GDADMN CC[N@@H+]1[C@H](C)CN(CC(=O)Nc2sc(C(=O)[O-])c(C)c2C(=O)OC)C[C@@H]1C ZINC001596449887 984149871 /nfs/dbraw/zinc/14/98/71/984149871.db2.gz NSRGGMCGIBHYRK-PHIMTYICSA-N 0 1 397.497 1.894 20 0 GDADMN CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](Cc2cncs2)C(=O)[O-])c1 ZINC001596485608 984221179 /nfs/dbraw/zinc/22/11/79/984221179.db2.gz JRFKNVFRJCYJPF-CQSZACIVSA-N 0 1 376.438 1.117 20 0 GDADMN CCNS(=O)(=O)c1cccc(C[NH2+]Cc2snc(OC)c2C(=O)[O-])c1 ZINC001596499827 984251455 /nfs/dbraw/zinc/25/14/55/984251455.db2.gz UKRATFSSPAHQHV-UHFFFAOYSA-N 0 1 385.467 1.438 20 0 GDADMN CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC001596569417 984459246 /nfs/dbraw/zinc/45/92/46/984459246.db2.gz CNPLOXFUQGTPIN-MKEUGRIPSA-N 0 1 383.485 1.409 20 0 GDADMN CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+](C)Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001596569462 984459891 /nfs/dbraw/zinc/45/98/91/984459891.db2.gz FEYQMJFIFMUCSZ-WSGJVKOYSA-N 0 1 394.468 1.447 20 0 GDADMN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+](CC)CCC(=O)[O-] ZINC001596697092 984853796 /nfs/dbraw/zinc/85/37/96/984853796.db2.gz GEQGENJCPASFTE-UHFFFAOYSA-N 0 1 385.442 1.067 20 0 GDADMN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001596697262 984860461 /nfs/dbraw/zinc/86/04/61/984860461.db2.gz NODJYPJCLXXSAN-UWVGGRQHSA-N 0 1 397.453 1.066 20 0 GDADMN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001596697262 984860481 /nfs/dbraw/zinc/86/04/81/984860481.db2.gz NODJYPJCLXXSAN-UWVGGRQHSA-N 0 1 397.453 1.066 20 0 GDADMN C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC001599903421 984885876 /nfs/dbraw/zinc/88/58/76/984885876.db2.gz MSIWXVNZULNFTK-AWEZNQCLSA-N 0 1 381.498 1.925 20 0 GDADMN CC(=O)CCc1ccc(OCCC(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)cc1 ZINC001589034818 985075804 /nfs/dbraw/zinc/07/58/04/985075804.db2.gz GMWRHPFKCQOAPE-KRWDZBQOSA-N 0 1 376.453 1.452 20 0 GDADMN CC(=O)N(Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)cc1)C(C)C ZINC001589051200 985135573 /nfs/dbraw/zinc/13/55/73/985135573.db2.gz KBAUELDBFLCITD-KRWDZBQOSA-N 0 1 390.484 1.924 20 0 GDADMN C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001599927797 985238137 /nfs/dbraw/zinc/23/81/37/985238137.db2.gz IBOSENAWSDPBRI-QZDDGCDVSA-N 0 1 394.493 1.658 20 0 GDADMN C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001599927797 985238148 /nfs/dbraw/zinc/23/81/48/985238148.db2.gz IBOSENAWSDPBRI-QZDDGCDVSA-N 0 1 394.493 1.658 20 0 GDADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001594474637 985482558 /nfs/dbraw/zinc/48/25/58/985482558.db2.gz FPBPOIUNBVWQJY-CWLKWCNXSA-N 0 1 375.469 1.781 20 0 GDADMN CC(C)[C@H](C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001594495929 985637047 /nfs/dbraw/zinc/63/70/47/985637047.db2.gz GTGAMSPEOPSYQK-CKEIUWERSA-N 0 1 393.488 1.274 20 0 GDADMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594505286 985710431 /nfs/dbraw/zinc/71/04/31/985710431.db2.gz GJWFVWWGNQCZRM-ISVAXAHUSA-N 0 1 383.807 1.715 20 0 GDADMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC001594513215 985793777 /nfs/dbraw/zinc/79/37/77/985793777.db2.gz HKKNBRFUBHLSED-GFCCVEGCSA-N 0 1 383.395 1.248 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC001594513215 985793786 /nfs/dbraw/zinc/79/37/86/985793786.db2.gz HKKNBRFUBHLSED-GFCCVEGCSA-N 0 1 383.395 1.248 20 0 GDADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001594514141 985827122 /nfs/dbraw/zinc/82/71/22/985827122.db2.gz CNWMSHQZHIEPAG-GJZGRUSLSA-N 0 1 397.516 1.887 20 0 GDADMN 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CCC[N@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353185 602578398 /nfs/dbraw/zinc/57/83/98/602578398.db2.gz ZWAISTQOJNKRLS-AWEZNQCLSA-N 0 1 377.441 1.900 20 0 GDADMN CCC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353185 602578400 /nfs/dbraw/zinc/57/84/00/602578400.db2.gz ZWAISTQOJNKRLS-AWEZNQCLSA-N 0 1 377.441 1.900 20 0 GDADMN Cc1nc(C[NH+]2CCC(CNC(=O)N3CCN(C(=O)[O-])C[C@@H]3C)CC2)oc1C ZINC000740224289 602587896 /nfs/dbraw/zinc/58/78/96/602587896.db2.gz UVXAZQXTUODAAX-ZDUSSCGKSA-N 0 1 393.488 1.897 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CNC(=O)[O-])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000738618585 602590325 /nfs/dbraw/zinc/59/03/25/602590325.db2.gz UEERCEKYCLBMHI-GJZGRUSLSA-N 0 1 378.448 1.452 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000738612856 602590985 /nfs/dbraw/zinc/59/09/85/602590985.db2.gz IBQQNRHBHRVIAH-HZPDHXFCSA-N 0 1 392.475 1.795 20 0 GDADMN CN(C)CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CC1 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VNHLABLPYNQAQK-LBPRGKRZSA-N 0 1 382.383 1.035 20 0 GDADMN O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000740415963 602635201 /nfs/dbraw/zinc/63/52/01/602635201.db2.gz LLEYITWNKFZJQS-HZMVEIRTSA-N 0 1 380.489 1.414 20 0 GDADMN CC(C)[C@H](NC(=O)[O-])C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000736372075 602639459 /nfs/dbraw/zinc/63/94/59/602639459.db2.gz YQMWNOMSZRINAP-SJORKVTESA-N 0 1 390.484 1.292 20 0 GDADMN CC[C@H](NC(=O)[O-])C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000739529145 602639627 /nfs/dbraw/zinc/63/96/27/602639627.db2.gz WQRBSIRERDLJIO-HOTGVXAUSA-N 0 1 376.457 1.046 20 0 GDADMN C[C@H](CNC(=O)[O-])N(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000739101226 602646258 /nfs/dbraw/zinc/64/62/58/602646258.db2.gz AZWDKBLLVFBCSK-LSDHHAIUSA-N 0 1 390.484 1.972 20 0 GDADMN CC(C)N(CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C(=O)[O-] ZINC000738850422 602655844 /nfs/dbraw/zinc/65/58/44/602655844.db2.gz YCJJQZCHJTXICS-KRWDZBQOSA-N 0 1 383.537 1.576 20 0 GDADMN C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738983445 602655846 /nfs/dbraw/zinc/65/58/46/602655846.db2.gz KFPTWKZMKZIALM-RCCFBDPRSA-N 0 1 395.548 1.576 20 0 GDADMN C[N@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)[O-])c2)C1 ZINC000739725957 602673047 /nfs/dbraw/zinc/67/30/47/602673047.db2.gz RDFIIHNYLXTBKY-GOEBONIOSA-N 0 1 375.425 1.876 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)C2)nc(C)[nH+]1 ZINC000740079573 602689896 /nfs/dbraw/zinc/68/98/96/602689896.db2.gz ISYXRRCJGFOXKV-JKSUJKDBSA-N 0 1 390.488 1.751 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)C2)nc(C)[nH+]1 ZINC000740079568 602689973 /nfs/dbraw/zinc/68/99/73/602689973.db2.gz ISYXRRCJGFOXKV-HOTGVXAUSA-N 0 1 390.488 1.751 20 0 GDADMN CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4CN3C(=O)[O-])C2)CC1 ZINC000739728582 602716031 /nfs/dbraw/zinc/71/60/31/602716031.db2.gz NTSVBQVMIHYBBG-IEBWSBKVSA-N 0 1 386.496 1.376 20 0 GDADMN C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4CN3C(=O)[O-])C2)CC1 ZINC000739728582 602716032 /nfs/dbraw/zinc/71/60/32/602716032.db2.gz NTSVBQVMIHYBBG-IEBWSBKVSA-N 0 1 386.496 1.376 20 0 GDADMN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[O-])CC1 ZINC000740326633 602732802 /nfs/dbraw/zinc/73/28/02/602732802.db2.gz GAFMGZRHEIGSDF-ORQFMDKSSA-N 0 1 392.500 1.238 20 0 GDADMN O=C([O-])N1CC[NH+](CCCNC(=O)C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000740434355 602760858 /nfs/dbraw/zinc/76/08/58/602760858.db2.gz YSPASQFIMXDEBM-UHFFFAOYSA-N 0 1 388.468 1.306 20 0 GDADMN O=C([O-])N1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3scnc3c2)CC1 ZINC000740433757 602761298 /nfs/dbraw/zinc/76/12/98/602761298.db2.gz SNXHWLXAEBPNBQ-UHFFFAOYSA-N 0 1 391.453 1.037 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739179680 602764035 /nfs/dbraw/zinc/76/40/35/602764035.db2.gz DBBPYLKPNYWRSL-QAPCUYQASA-N 0 1 390.484 1.830 20 0 GDADMN 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/nfs/dbraw/zinc/89/07/21/606890721.db2.gz BQNPQABCZLBGPP-UHFFFAOYSA-N 0 1 384.368 1.271 20 0 GDADMN O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@H](N2CCCCC2)C1 ZINC000823594169 606891195 /nfs/dbraw/zinc/89/11/95/606891195.db2.gz CQLWKOYEOHQGRF-LBPRGKRZSA-N 0 1 398.439 1.394 20 0 GDADMN C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CN1Cc1ccccc1 ZINC000820666463 606896759 /nfs/dbraw/zinc/89/67/59/606896759.db2.gz HZKOPPWIPCFIFM-WMLDXEAASA-N 0 1 398.492 1.808 20 0 GDADMN O=S(=O)(NC[C@H]1CSCCS1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572505 606934785 /nfs/dbraw/zinc/93/47/85/606934785.db2.gz IKQMYQFBELUZQZ-QMMMGPOBSA-N 0 1 393.466 1.272 20 0 GDADMN COc1ccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000821818261 606934996 /nfs/dbraw/zinc/93/49/96/606934996.db2.gz MUUZWDXSVOGAPS-UHFFFAOYSA-N 0 1 399.354 1.771 20 0 GDADMN O=C(Nc1cccnn1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823372390 606956695 /nfs/dbraw/zinc/95/66/95/606956695.db2.gz AOUHTQVHEXWUFD-UHFFFAOYSA-N 0 1 379.428 1.397 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2COc3ccc(C)cc32)cc1-c1nn[nH]n1 ZINC000821976603 606968018 /nfs/dbraw/zinc/96/80/18/606968018.db2.gz BWDSZSQDXUZYHX-GFCCVEGCSA-N 0 1 384.421 1.861 20 0 GDADMN COCn1nccc1S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000530374731 649970965 /nfs/dbraw/zinc/97/09/65/649970965.db2.gz AVGXTGHTJNDWNV-XJKSGUPXSA-N 0 1 384.527 1.910 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(Br)c1 ZINC000820334269 607207119 /nfs/dbraw/zinc/20/71/19/607207119.db2.gz MQYIRGBPNYVGKR-MRVPVSSYSA-N 0 1 377.206 1.098 20 0 GDADMN Cc1ccccc1CN(Cc1cccnc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822356412 607209798 /nfs/dbraw/zinc/20/97/98/607209798.db2.gz RKZMPIPKHSLVLP-UHFFFAOYSA-N 0 1 389.423 1.391 20 0 GDADMN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821596689 607211973 /nfs/dbraw/zinc/21/19/73/607211973.db2.gz RMYNPXBXHLGJBY-HOCLYGCPSA-N 0 1 382.428 1.085 20 0 GDADMN C[C@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1c(Cl)cccc1Cl ZINC000820262295 607212289 /nfs/dbraw/zinc/21/22/89/607212289.db2.gz VEWBVTRAIFWROK-MRVPVSSYSA-N 0 1 381.227 1.685 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000823136273 607214928 /nfs/dbraw/zinc/21/49/28/607214928.db2.gz RUNQDOISKDUXOV-UHFFFAOYSA-N 0 1 381.331 1.423 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823127325 607220511 /nfs/dbraw/zinc/22/05/11/607220511.db2.gz ZYLUZLQGTMXMKV-QGZVFWFLSA-N 0 1 386.419 1.784 20 0 GDADMN Cc1cccc(C(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c2cccc(C)c2)c1 ZINC000822289562 607222251 /nfs/dbraw/zinc/22/22/51/607222251.db2.gz ZPXUQLQERCQZCT-UHFFFAOYSA-N 0 1 388.435 1.981 20 0 GDADMN Cc1ccc(CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)o1 ZINC000826286944 607817025 /nfs/dbraw/zinc/81/70/25/607817025.db2.gz WMMFPQLTZCPHLQ-UHFFFAOYSA-N 0 1 383.412 1.525 20 0 GDADMN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c(F)c1 ZINC000530380901 649972110 /nfs/dbraw/zinc/97/21/10/649972110.db2.gz JDNUXLFXGUVUJX-OLZOCXBDSA-N 0 1 376.475 1.278 20 0 GDADMN CC(=O)N1CC[C@@H](CN(C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000823975111 607848625 /nfs/dbraw/zinc/84/86/25/607848625.db2.gz UTCAGMSNMSTEON-HNNXBMFYSA-N 0 1 380.456 1.488 20 0 GDADMN CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)Nc3sccc3-c3nn[nH]n3)[C@H]2C1 ZINC000826145326 607859072 /nfs/dbraw/zinc/85/90/72/607859072.db2.gz DHQJKBFTMKBCPJ-XBFCOCLRSA-N 0 1 392.485 1.525 20 0 GDADMN CC1=C(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCO1 ZINC000824853140 607881266 /nfs/dbraw/zinc/88/12/66/607881266.db2.gz WVSVSJQRJKXSCB-UHFFFAOYSA-N 0 1 382.468 1.985 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3cnco3)cc2)c1-c1nnn[n-]1 ZINC000826084311 608019976 /nfs/dbraw/zinc/01/99/76/608019976.db2.gz YOCKUMLCZZDGBP-UHFFFAOYSA-N 0 1 393.411 1.649 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3cnco3)cc2)c1-c1nn[n-]n1 ZINC000826084311 608019977 /nfs/dbraw/zinc/01/99/77/608019977.db2.gz YOCKUMLCZZDGBP-UHFFFAOYSA-N 0 1 393.411 1.649 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000826077665 608020592 /nfs/dbraw/zinc/02/05/92/608020592.db2.gz PSNCQABAZJQBTA-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000826077665 608020593 /nfs/dbraw/zinc/02/05/93/608020593.db2.gz PSNCQABAZJQBTA-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Cc3ccccc3S2)c1-c1nnn[n-]1 ZINC000826077193 608021914 /nfs/dbraw/zinc/02/19/14/608021914.db2.gz DDHIFFOTJXRTPW-CYBMUJFWSA-N 0 1 384.469 1.397 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Cc3ccccc3S2)c1-c1nn[n-]n1 ZINC000826077193 608021915 /nfs/dbraw/zinc/02/19/15/608021915.db2.gz DDHIFFOTJXRTPW-CYBMUJFWSA-N 0 1 384.469 1.397 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(F)F)cc2)c1-c1nnn[n-]1 ZINC000826082878 608022019 /nfs/dbraw/zinc/02/20/19/608022019.db2.gz CSYWMEWVZKLQFX-UHFFFAOYSA-N 0 1 376.371 1.932 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(F)F)cc2)c1-c1nn[n-]n1 ZINC000826082878 608022020 /nfs/dbraw/zinc/02/20/20/608022020.db2.gz CSYWMEWVZKLQFX-UHFFFAOYSA-N 0 1 376.371 1.932 20 0 GDADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@@H]([C@H](C)O)C1 ZINC000824688935 608033656 /nfs/dbraw/zinc/03/36/56/608033656.db2.gz IXFRVRPOTSFNMN-GRYCIOLGSA-N 0 1 378.864 1.940 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(F)cc2c1OCOC2 ZINC000825933268 608034096 /nfs/dbraw/zinc/03/40/96/608034096.db2.gz ABKXGIDGLZRECB-UHFFFAOYSA-N 0 1 388.407 1.242 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(F)cc2c1OCOC2 ZINC000825933268 608034097 /nfs/dbraw/zinc/03/40/97/608034097.db2.gz ABKXGIDGLZRECB-UHFFFAOYSA-N 0 1 388.407 1.242 20 0 GDADMN Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826264523 608034533 /nfs/dbraw/zinc/03/45/33/608034533.db2.gz RELYICYEOSZQNV-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826264523 608034534 /nfs/dbraw/zinc/03/45/34/608034534.db2.gz RELYICYEOSZQNV-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc2ccccc2[nH]c1=O ZINC000825935044 608036839 /nfs/dbraw/zinc/03/68/39/608036839.db2.gz SKXKLJJLLAEFGB-UHFFFAOYSA-N 0 1 379.428 1.490 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc2ccccc2[nH]c1=O ZINC000825935044 608036840 /nfs/dbraw/zinc/03/68/40/608036840.db2.gz SKXKLJJLLAEFGB-UHFFFAOYSA-N 0 1 379.428 1.490 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc2ccccc2[nH]c1=O ZINC000825935044 608036841 /nfs/dbraw/zinc/03/68/41/608036841.db2.gz SKXKLJJLLAEFGB-UHFFFAOYSA-N 0 1 379.428 1.490 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc2ccccc2[nH]c1=O ZINC000825935044 608036842 /nfs/dbraw/zinc/03/68/42/608036842.db2.gz SKXKLJJLLAEFGB-UHFFFAOYSA-N 0 1 379.428 1.490 20 0 GDADMN C[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824901378 608043272 /nfs/dbraw/zinc/04/32/72/608043272.db2.gz YRQFOWMSANPSEX-WDEREUQCSA-N 0 1 376.486 1.591 20 0 GDADMN C[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824901378 608043273 /nfs/dbraw/zinc/04/32/73/608043273.db2.gz YRQFOWMSANPSEX-WDEREUQCSA-N 0 1 376.486 1.591 20 0 GDADMN O=C(CCN1CCOC[C@H]1C1CC1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000826407157 608045953 /nfs/dbraw/zinc/04/59/53/608045953.db2.gz CYMZOHCCUSDBHM-ZDUSSCGKSA-N 0 1 388.497 1.856 20 0 GDADMN Cc1cccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c1-c1nn[nH]n1 ZINC000826298643 608107780 /nfs/dbraw/zinc/10/77/80/608107780.db2.gz BKLLJPAMNNHWHI-SNVBAGLBSA-N 0 1 383.416 1.233 20 0 GDADMN CCc1nc([C@H](C)NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000825739762 608108294 /nfs/dbraw/zinc/10/82/94/608108294.db2.gz JETIYHGRSPXZKO-LBPRGKRZSA-N 0 1 384.444 1.974 20 0 GDADMN CC1([C@@H]2CCCN(Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)OCCO1 ZINC000824819111 608131620 /nfs/dbraw/zinc/13/16/20/608131620.db2.gz XSYNHAKPFVUTDB-OAHLLOKOSA-N 0 1 397.439 1.892 20 0 GDADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824992225 608151177 /nfs/dbraw/zinc/15/11/77/608151177.db2.gz KWNXWDMMPRDSLB-OCCSQVGLSA-N 0 1 376.896 1.377 20 0 GDADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824992225 608151178 /nfs/dbraw/zinc/15/11/78/608151178.db2.gz KWNXWDMMPRDSLB-OCCSQVGLSA-N 0 1 376.896 1.377 20 0 GDADMN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824907803 608180072 /nfs/dbraw/zinc/18/00/72/608180072.db2.gz KUBISQAQFKGGQZ-TXEJJXNPSA-N 0 1 396.952 1.971 20 0 GDADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824907803 608180074 /nfs/dbraw/zinc/18/00/74/608180074.db2.gz KUBISQAQFKGGQZ-TXEJJXNPSA-N 0 1 396.952 1.971 20 0 GDADMN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824907803 608180076 /nfs/dbraw/zinc/18/00/76/608180076.db2.gz KUBISQAQFKGGQZ-TXEJJXNPSA-N 0 1 396.952 1.971 20 0 GDADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824907803 608180077 /nfs/dbraw/zinc/18/00/77/608180077.db2.gz KUBISQAQFKGGQZ-TXEJJXNPSA-N 0 1 396.952 1.971 20 0 GDADMN CC(C)c1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)no1 ZINC000824341832 608193683 /nfs/dbraw/zinc/19/36/83/608193683.db2.gz FQQMQLVIGQZCKC-UHFFFAOYSA-N 0 1 398.427 1.806 20 0 GDADMN CC[N@H+]1C[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C[C@H]1C ZINC000825445000 608253780 /nfs/dbraw/zinc/25/37/80/608253780.db2.gz UKRKXHMTHYNZES-ZJUUUORDSA-N 0 1 377.474 1.244 20 0 GDADMN CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@H]1C ZINC000825445000 608253781 /nfs/dbraw/zinc/25/37/81/608253781.db2.gz UKRKXHMTHYNZES-ZJUUUORDSA-N 0 1 377.474 1.244 20 0 GDADMN CC[N@H+]1C[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@H]1C ZINC000825445000 608253783 /nfs/dbraw/zinc/25/37/83/608253783.db2.gz UKRKXHMTHYNZES-ZJUUUORDSA-N 0 1 377.474 1.244 20 0 GDADMN C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC[C@@H]1C ZINC000824954860 608268893 /nfs/dbraw/zinc/26/88/93/608268893.db2.gz LLLCSAXEEGYNOQ-KBPBESRZSA-N 0 1 383.456 1.566 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NCC2CCN(CC(=O)NC(C)(C)C)CC2)n1 ZINC000826275689 608295089 /nfs/dbraw/zinc/29/50/89/608295089.db2.gz HPAJYYKYYRGAMN-UHFFFAOYSA-N 0 1 386.504 1.609 20 0 GDADMN CCC[C@@H]1CN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825253161 608313621 /nfs/dbraw/zinc/31/36/21/608313621.db2.gz MFCWANVAOLQUFU-MRXNPFEDSA-N 0 1 388.472 1.205 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000826168869 608354946 /nfs/dbraw/zinc/35/49/46/608354946.db2.gz AXZGLEODQQLPTK-HNNXBMFYSA-N 0 1 394.501 1.169 20 0 GDADMN CC(=O)c1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)nc1 ZINC000824024366 608365372 /nfs/dbraw/zinc/36/53/72/608365372.db2.gz BJSAHTPVVRAMHL-UHFFFAOYSA-N 0 1 380.412 1.656 20 0 GDADMN Cc1cc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)nn1 ZINC000826257672 608385344 /nfs/dbraw/zinc/38/53/44/608385344.db2.gz LFTKIBDLMATIKK-UHFFFAOYSA-N 0 1 392.467 1.622 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(CC(C)C)c2C)c1-c1nnn[n-]1 ZINC000826083775 608385482 /nfs/dbraw/zinc/38/54/82/608385482.db2.gz QIFMEKXLMFVLHO-UHFFFAOYSA-N 0 1 386.464 1.155 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(CC(C)C)c2C)c1-c1nn[n-]n1 ZINC000826083775 608385484 /nfs/dbraw/zinc/38/54/84/608385484.db2.gz QIFMEKXLMFVLHO-UHFFFAOYSA-N 0 1 386.464 1.155 20 0 GDADMN C[C@@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2 ZINC000824562247 608429758 /nfs/dbraw/zinc/42/97/58/608429758.db2.gz DGNHPZBEKMXEJA-GFCCVEGCSA-N 0 1 380.408 1.562 20 0 GDADMN COc1ccccc1CCNC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826219699 608467002 /nfs/dbraw/zinc/46/70/02/608467002.db2.gz NFPVWSLGIWHJQB-AWEZNQCLSA-N 0 1 380.452 1.885 20 0 GDADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000826090566 608478988 /nfs/dbraw/zinc/47/89/88/608478988.db2.gz JBVVSBUBWLABMH-LLVKDONJSA-N 0 1 390.444 1.765 20 0 GDADMN c1[nH]nc(-c2ccccc2)c1CN1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826519061 608509297 /nfs/dbraw/zinc/50/92/97/608509297.db2.gz IJCYZPFDZRWDDN-UHFFFAOYSA-N 0 1 387.451 1.974 20 0 GDADMN COCc1cccc(CNC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826164956 608530890 /nfs/dbraw/zinc/53/08/90/608530890.db2.gz YQWILANPIJYVEW-UHFFFAOYSA-N 0 1 392.463 1.908 20 0 GDADMN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)o3)CC2)nc1 ZINC000825559975 608654255 /nfs/dbraw/zinc/65/42/55/608654255.db2.gz MFJWWUHOJJBJJL-UHFFFAOYSA-N 0 1 397.439 1.744 20 0 GDADMN CCOC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)o3)CC2)nc1 ZINC000825559975 608654262 /nfs/dbraw/zinc/65/42/62/608654262.db2.gz MFJWWUHOJJBJJL-UHFFFAOYSA-N 0 1 397.439 1.744 20 0 GDADMN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)o3)CC2)nc1 ZINC000825559975 608654265 /nfs/dbraw/zinc/65/42/65/608654265.db2.gz MFJWWUHOJJBJJL-UHFFFAOYSA-N 0 1 397.439 1.744 20 0 GDADMN CCOC(=O)N(C)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825518175 608674113 /nfs/dbraw/zinc/67/41/13/608674113.db2.gz TXOIXPYNYFZQFG-UHFFFAOYSA-N 0 1 384.444 1.567 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000824999376 608838312 /nfs/dbraw/zinc/83/83/12/608838312.db2.gz GGFUETBBFCNULG-ZDUSSCGKSA-N 0 1 375.440 1.849 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000824999376 608838315 /nfs/dbraw/zinc/83/83/15/608838315.db2.gz GGFUETBBFCNULG-ZDUSSCGKSA-N 0 1 375.440 1.849 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000824999376 608838317 /nfs/dbraw/zinc/83/83/17/608838317.db2.gz GGFUETBBFCNULG-ZDUSSCGKSA-N 0 1 375.440 1.849 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000824999376 608838319 /nfs/dbraw/zinc/83/83/19/608838319.db2.gz GGFUETBBFCNULG-ZDUSSCGKSA-N 0 1 375.440 1.849 20 0 GDADMN CN(C)[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000825849329 609187764 /nfs/dbraw/zinc/18/77/64/609187764.db2.gz KEQNBOLERFOHTJ-DLBZAZTESA-N 0 1 384.415 1.458 20 0 GDADMN CN(C)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1 ZINC000825849331 609187767 /nfs/dbraw/zinc/18/77/67/609187767.db2.gz KEQNBOLERFOHTJ-IAGOWNOFSA-N 0 1 384.415 1.458 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1-c1nnn[n-]1 ZINC000826077679 609267688 /nfs/dbraw/zinc/26/76/88/609267688.db2.gz QGXLLRZPTBIYDS-LLVKDONJSA-N 0 1 398.475 1.470 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1-c1nn[n-]n1 ZINC000826077679 609267689 /nfs/dbraw/zinc/26/76/89/609267689.db2.gz QGXLLRZPTBIYDS-LLVKDONJSA-N 0 1 398.475 1.470 20 0 GDADMN CCOC(=O)c1cc(NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000825559491 609284707 /nfs/dbraw/zinc/28/47/07/609284707.db2.gz GKHKKEWTZVIVAG-UHFFFAOYSA-N 0 1 387.425 1.638 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Oc2ccc(NC(C)=O)cc2)cc1-c1nn[nH]n1 ZINC000826229639 609296497 /nfs/dbraw/zinc/29/64/97/609296497.db2.gz LJFKYZGZTZZRNK-UHFFFAOYSA-N 0 1 386.393 1.867 20 0 GDADMN CCN1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)C[C@H]1C ZINC000825459397 609356732 /nfs/dbraw/zinc/35/67/32/609356732.db2.gz KABIJVHXILBVNG-GFCCVEGCSA-N 0 1 399.434 1.749 20 0 GDADMN CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)sc2C1 ZINC000824080122 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RSJLSPXYQQXVAV-ZYHUDNBSSA-N 0 1 382.877 1.377 20 0 GDADMN C[C@@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000530883327 649983539 /nfs/dbraw/zinc/98/35/39/649983539.db2.gz MRRJDXWSQRIGIN-VXGBXAGGSA-N 0 1 388.295 1.637 20 0 GDADMN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(Br)c1O ZINC000532311838 650020204 /nfs/dbraw/zinc/02/02/04/650020204.db2.gz WFMBOVSAHYGXAU-BXKDBHETSA-N 0 1 391.287 1.602 20 0 GDADMN O=C(CCc1nc[nH]n1)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000532382167 650022246 /nfs/dbraw/zinc/02/22/46/650022246.db2.gz NGORETSSQMLVDY-UHFFFAOYSA-N 0 1 375.479 1.998 20 0 GDADMN O=C(NCCN1CCC1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000532787186 650033675 /nfs/dbraw/zinc/03/36/75/650033675.db2.gz HMGXDANQZHKUPN-HNNXBMFYSA-N 0 1 380.286 1.876 20 0 GDADMN Cn1nccc1[C@@H]1C[C@@H](NS(=O)(=O)c2occc2Br)CCO1 ZINC000916123404 660186210 /nfs/dbraw/zinc/18/62/10/660186210.db2.gz NWJTUSAHOUWZPQ-CABZTGNLSA-N 0 1 390.259 1.974 20 0 GDADMN NS(=O)(=O)[C@@H]1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 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GDADMN Cc1nc(S(=O)(=O)NCCN2C(=O)CCCC2=O)sc1Br ZINC000538942604 650326355 /nfs/dbraw/zinc/32/63/55/650326355.db2.gz JJZIVWDTELWDOG-UHFFFAOYSA-N 0 1 396.288 1.031 20 0 GDADMN CSc1nnnn1-c1cccc(NS(=O)(=O)c2cc(C)cnc2N)c1 ZINC000539115693 650328460 /nfs/dbraw/zinc/32/84/60/650328460.db2.gz RBNMLAOAJCKARQ-UHFFFAOYSA-N 0 1 377.455 1.471 20 0 GDADMN C[C@H](CCN(C)C)NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000539237576 650331571 /nfs/dbraw/zinc/33/15/71/650331571.db2.gz MNPYACIRYSDIEX-LLVKDONJSA-N 0 1 382.935 1.503 20 0 GDADMN CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cn1C ZINC000539238359 650331794 /nfs/dbraw/zinc/33/17/94/650331794.db2.gz GGCXOLDUAKXMON-UHFFFAOYSA-N 0 1 384.845 1.280 20 0 GDADMN O=S1(=O)CCO[C@H](CNCc2ccc(Br)c3cccnc23)C1 ZINC000539771630 650340325 /nfs/dbraw/zinc/34/03/25/650340325.db2.gz KCHFLAHGJANGAI-GFCCVEGCSA-N 0 1 385.283 1.901 20 0 GDADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1cnn2cc(Br)cnc12 ZINC000539910886 650343022 /nfs/dbraw/zinc/34/30/22/650343022.db2.gz 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COc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164891321 721383567 /nfs/dbraw/zinc/38/35/67/721383567.db2.gz QHWZIEIVGQBZPW-HNAYVOBHSA-N 0 1 395.935 1.904 20 0 GDADMN CN1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc(Cl)nn2)CC3)CC1 ZINC001164794586 721510459 /nfs/dbraw/zinc/51/04/59/721510459.db2.gz SJDLNVHXATUJQR-UHFFFAOYSA-N 0 1 397.861 1.639 20 0 GDADMN COc1ccc2c(c1)ncnc2N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001164794130 721514097 /nfs/dbraw/zinc/51/40/97/721514097.db2.gz GXGTUVRFNQIPFM-UHFFFAOYSA-N 0 1 393.495 1.603 20 0 GDADMN CN1CCN(Cc2cn3c(n2)CN(c2cncc(N4CCCC4)n2)CC3)CC1 ZINC001164798391 721516302 /nfs/dbraw/zinc/51/63/02/721516302.db2.gz TXQJWVDCVBUMNE-UHFFFAOYSA-N 0 1 382.516 1.041 20 0 GDADMN CC(C)COc1cncc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164795684 721519475 /nfs/dbraw/zinc/51/94/75/721519475.db2.gz RLQUSJCKDQNTDA-UHFFFAOYSA-N 0 1 385.516 1.476 20 0 GDADMN CC(C)OC(=O)c1ccc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nn1 ZINC001165008804 721732767 /nfs/dbraw/zinc/73/27/67/721732767.db2.gz RGSUJQLKVPNLQD-UHFFFAOYSA-N 0 1 389.500 1.565 20 0 GDADMN COc1c(Cl)nc(C)nc1N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001165011137 721737418 /nfs/dbraw/zinc/73/74/18/721737418.db2.gz MTYWDUCFXNTDIW-UHFFFAOYSA-N 0 1 381.908 1.970 20 0 GDADMN O=C([O-])[C@@]1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCc2ccccc21 ZINC000738484399 939058917 /nfs/dbraw/zinc/05/89/17/939058917.db2.gz VGPAMIDJXDIGEE-DENIHFKCSA-N 0 1 380.444 1.930 20 0 GDADMN O=C([O-])[C@@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCc2ccccc21 ZINC000738484399 939058921 /nfs/dbraw/zinc/05/89/21/939058921.db2.gz VGPAMIDJXDIGEE-DENIHFKCSA-N 0 1 380.444 1.930 20 0 GDADMN O=C([O-])C1(NC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCC1 ZINC000780397273 939116183 /nfs/dbraw/zinc/11/61/83/939116183.db2.gz IFHDLUJKMYMUEB-UHFFFAOYSA-N 0 1 378.448 1.644 20 0 GDADMN Cc1cc([C@H](NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])ccc1F ZINC000908759344 939314774 /nfs/dbraw/zinc/31/47/74/939314774.db2.gz FMHNYRRHEAZCAX-RDJZCZTQSA-N 0 1 381.448 1.916 20 0 GDADMN Cc1cc([C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C(=O)[O-])ccc1F ZINC000908771480 939318824 /nfs/dbraw/zinc/31/88/24/939318824.db2.gz SFDGDRKJTJWVQX-IRXDYDNUSA-N 0 1 381.448 1.916 20 0 GDADMN CC(C)[C@H](CNC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)[NH+]1CCOCC1 ZINC000908773001 939319127 /nfs/dbraw/zinc/31/91/27/939319127.db2.gz ZWXVEUDNSVZDHN-FXAWDEMLSA-N 0 1 375.469 1.569 20 0 GDADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)CC1 ZINC000908859261 939338733 /nfs/dbraw/zinc/33/87/33/939338733.db2.gz ROCAICFAMBNBIV-IERDGZPVSA-N 0 1 388.512 1.486 20 0 GDADMN CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]3CCCOC3)cc2F)CC1 ZINC000909537358 939403768 /nfs/dbraw/zinc/40/37/68/939403768.db2.gz HZCVXOPLFIMWLZ-MAUKXSAKSA-N 0 1 393.459 1.577 20 0 GDADMN O=C([O-])[C@]1(NC(=O)[C@@H]2CCc3nc[nH]c3C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123277893 939819513 /nfs/dbraw/zinc/81/95/13/939819513.db2.gz PFIGUJDECDKSJK-IERDGZPVSA-N 0 1 382.464 1.750 20 0 GDADMN O=C([O-])[C@]1(NC(=O)[C@@H]2CCc3[nH]cnc3C2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123277893 939819518 /nfs/dbraw/zinc/81/95/18/939819518.db2.gz PFIGUJDECDKSJK-IERDGZPVSA-N 0 1 382.464 1.750 20 0 GDADMN O=C([O-])[C@]1(NC(=O)[C@@H]2CCc3[nH]cnc3C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123277893 939819522 /nfs/dbraw/zinc/81/95/22/939819522.db2.gz PFIGUJDECDKSJK-IERDGZPVSA-N 0 1 382.464 1.750 20 0 GDADMN O=C([O-])[C@@]1(NC(=O)c2cc3n(n2)CCCO3)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123378864 939824437 /nfs/dbraw/zinc/82/44/37/939824437.db2.gz MEMZYRPJXOZVRN-HXUWFJFHSA-N 0 1 384.436 1.515 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ncc(-c4nn[nH]n4)cc3F)C2)n[nH]1 ZINC001571258689 945361314 /nfs/dbraw/zinc/36/13/14/945361314.db2.gz ZCPJFXUAAMHAEZ-SKDRFNHKSA-N 0 1 385.407 1.253 20 0 GDADMN C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323612364 971022085 /nfs/dbraw/zinc/02/20/85/971022085.db2.gz LFOCVTYPRGYXHF-CQSZACIVSA-N 0 1 377.466 1.856 20 0 GDADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC001611469269 971068304 /nfs/dbraw/zinc/06/83/04/971068304.db2.gz HHBCMFRYOISZKT-LBPRGKRZSA-N 0 1 380.351 1.911 20 0 GDADMN CC[N@@H+]1CCCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000736568948 944844098 /nfs/dbraw/zinc/84/40/98/944844098.db2.gz GHDVHKKSPJNTNW-UHFFFAOYSA-N 0 1 395.471 1.019 20 0 GDADMN CC[N@H+]1CCCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC000736568948 944844101 /nfs/dbraw/zinc/84/41/01/944844101.db2.gz GHDVHKKSPJNTNW-UHFFFAOYSA-N 0 1 395.471 1.019 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cc[nH]c(=O)c1 ZINC001571261886 945432943 /nfs/dbraw/zinc/43/29/43/945432943.db2.gz LLLYUIXHLBVUHR-LBPRGKRZSA-N 0 1 385.453 1.423 20 0 GDADMN CN(C[C@@H]1CCCCN1C(=O)[C@H]1CCCCO1)c1ccncc1-c1nn[nH]n1 ZINC001571264850 945493833 /nfs/dbraw/zinc/49/38/33/945493833.db2.gz YOAPFMWEQNOKNY-WMLDXEAASA-N 0 1 385.472 1.648 20 0 GDADMN Cc1cc(N[C@@H]2CC[C@H](CNC(=O)C3CCOCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266231 945534641 /nfs/dbraw/zinc/53/46/41/945534641.db2.gz OCTPYBWKYBTEQL-DZGCQCFKSA-N 0 1 385.472 1.115 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCCC[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571266574 945548163 /nfs/dbraw/zinc/54/81/63/945548163.db2.gz UJVDBGCPMBDXGD-CABCVRRESA-N 0 1 385.472 1.293 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cccc(F)c1F ZINC001571266872 945554339 /nfs/dbraw/zinc/55/43/39/945554339.db2.gz ATKBTKJTCIMPOO-VHSXEESVSA-N 0 1 386.366 1.072 20 0 GDADMN O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571267133 945562382 /nfs/dbraw/zinc/56/23/82/945562382.db2.gz KIAMELXUVHBNHB-LLVKDONJSA-N 0 1 386.366 1.074 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cc(F)cc(F)c1 ZINC001571267382 945569493 /nfs/dbraw/zinc/56/94/93/945569493.db2.gz SPQYCJVORWXAOY-TVQRCGJNSA-N 0 1 386.366 1.072 20 0 GDADMN O=C(Cn1ccnc1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571271744 945649752 /nfs/dbraw/zinc/64/97/52/945649752.db2.gz IRXMPBUFLCKROL-TZMCWYRMSA-N 0 1 386.485 1.199 20 0 GDADMN Cc1nc(C)c(CN2CC([C@H](C)NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)s1 ZINC001571271859 945652271 /nfs/dbraw/zinc/65/22/71/945652271.db2.gz LBPPKRGQOCHDPU-VIFPVBQESA-N 0 1 386.485 1.518 20 0 GDADMN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1)[NH+](C)C ZINC001571272055 945654161 /nfs/dbraw/zinc/65/41/61/945654161.db2.gz NWHYSQQCIZGRNY-CPUCHLNUSA-N 0 1 386.504 1.498 20 0 GDADMN Cc1nc[nH]c1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272110 945656844 /nfs/dbraw/zinc/65/68/44/945656844.db2.gz PMNATUYUSLJVQJ-LBPRGKRZSA-N 0 1 386.485 1.602 20 0 GDADMN Cc1nc[nH]c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272110 945656849 /nfs/dbraw/zinc/65/68/49/945656849.db2.gz PMNATUYUSLJVQJ-LBPRGKRZSA-N 0 1 386.485 1.602 20 0 GDADMN Cc1nc[nH]c1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272110 945656855 /nfs/dbraw/zinc/65/68/55/945656855.db2.gz PMNATUYUSLJVQJ-LBPRGKRZSA-N 0 1 386.485 1.602 20 0 GDADMN Cc1nc[nH]c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272110 945656859 /nfs/dbraw/zinc/65/68/59/945656859.db2.gz PMNATUYUSLJVQJ-LBPRGKRZSA-N 0 1 386.485 1.602 20 0 GDADMN Cc1nc(CNC[C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cs1 ZINC001571272312 945660336 /nfs/dbraw/zinc/66/03/36/945660336.db2.gz RSMGNOUONMQARW-CYBMUJFWSA-N 0 1 386.485 1.744 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001571278495 945754041 /nfs/dbraw/zinc/75/40/41/945754041.db2.gz OGJSPKXPBGODEO-QFBILLFUSA-N 0 1 386.456 1.135 20 0 GDADMN CNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821630035 945758106 /nfs/dbraw/zinc/75/81/06/945758106.db2.gz JVXTYAVQBUAERP-UWVGGRQHSA-N 0 1 391.501 1.058 20 0 GDADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571281726 945812340 /nfs/dbraw/zinc/81/23/40/945812340.db2.gz MREWCXKIXYVGLX-JTQLQIEISA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571281726 945812355 /nfs/dbraw/zinc/81/23/55/945812355.db2.gz MREWCXKIXYVGLX-JTQLQIEISA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571281989 945822751 /nfs/dbraw/zinc/82/27/51/945822751.db2.gz QPXCMIFVIGFGCP-XJKSGUPXSA-N 0 1 387.488 1.274 20 0 GDADMN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571282790 945861199 /nfs/dbraw/zinc/86/11/99/945861199.db2.gz QYGMLDJHUYXOBP-CZUORRHYSA-N 0 1 387.463 1.893 20 0 GDADMN CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571282790 945861209 /nfs/dbraw/zinc/86/12/09/945861209.db2.gz QYGMLDJHUYXOBP-CZUORRHYSA-N 0 1 387.463 1.893 20 0 GDADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccc(F)cn1 ZINC001571282827 945863711 /nfs/dbraw/zinc/86/37/11/945863711.db2.gz SFGASVZAKYOHSJ-NSHDSACASA-N 0 1 387.444 1.714 20 0 GDADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccc(F)cn1 ZINC001571282827 945863718 /nfs/dbraw/zinc/86/37/18/945863718.db2.gz SFGASVZAKYOHSJ-NSHDSACASA-N 0 1 387.444 1.714 20 0 GDADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccc(F)cn1 ZINC001571282827 945863723 /nfs/dbraw/zinc/86/37/23/945863723.db2.gz SFGASVZAKYOHSJ-NSHDSACASA-N 0 1 387.444 1.714 20 0 GDADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccc(F)cn1 ZINC001571282827 945863734 /nfs/dbraw/zinc/86/37/34/945863734.db2.gz SFGASVZAKYOHSJ-NSHDSACASA-N 0 1 387.444 1.714 20 0 GDADMN CC(C)[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)[NH+](C)C ZINC001571283242 945884417 /nfs/dbraw/zinc/88/44/17/945884417.db2.gz CPHZPJNSOQTWHH-CJNGLKHVSA-N 0 1 387.492 1.036 20 0 GDADMN Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@H]1C ZINC001571284661 945905200 /nfs/dbraw/zinc/90/52/00/945905200.db2.gz SFPMYWIGZSCMAC-KOLCDFICSA-N 0 1 387.835 1.084 20 0 GDADMN CC[C@H](C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1)[NH+](C)C ZINC001571285211 945911668 /nfs/dbraw/zinc/91/16/68/945911668.db2.gz ZMPXZDVFWUPSPY-UKRRQHHQSA-N 0 1 387.492 1.098 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571286820 945961226 /nfs/dbraw/zinc/96/12/26/945961226.db2.gz SNBSQAJILXBMPK-NXEZZACHSA-N 0 1 388.432 1.645 20 0 GDADMN O=C(C[C@H]1CCOC1)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287388 945969759 /nfs/dbraw/zinc/96/97/59/945969759.db2.gz CODSFNJOOBRUMA-CYBMUJFWSA-N 0 1 388.447 1.513 20 0 GDADMN CN(C(=O)[C@H]1CCOC1)C1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288547 945987798 /nfs/dbraw/zinc/98/77/98/945987798.db2.gz QGDGQGXUAJHGHG-AWEZNQCLSA-N 0 1 388.447 1.465 20 0 GDADMN Cc1[nH]c(=O)[nH]c1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571289612 946012591 /nfs/dbraw/zinc/01/25/91/946012591.db2.gz IRKCYYDDJNDYJQ-UHFFFAOYSA-N 0 1 388.457 1.060 20 0 GDADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290100 946028153 /nfs/dbraw/zinc/02/81/53/946028153.db2.gz VFVAARSIZIMFPC-WDEREUQCSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290100 946028173 /nfs/dbraw/zinc/02/81/73/946028173.db2.gz VFVAARSIZIMFPC-WDEREUQCSA-N 0 1 388.457 1.342 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccsc1Cl ZINC001571290546 946047638 /nfs/dbraw/zinc/04/76/38/946047638.db2.gz ILWAYRGHQSRMDN-JZYVYDRUSA-N 0 1 388.844 1.236 20 0 GDADMN CC[C@@H](C(=O)N1CCC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571294489 946136014 /nfs/dbraw/zinc/13/60/14/946136014.db2.gz HNRBUCIUTQOWBB-BBRMVZONSA-N 0 1 389.479 1.997 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@@H]1CC1(F)F ZINC001571294669 946140674 /nfs/dbraw/zinc/14/06/74/946140674.db2.gz LLEGTHBJGUWTAD-ACZMJKKPSA-N 0 1 389.819 1.939 20 0 GDADMN CC[C@@H](SC)C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571294926 946148187 /nfs/dbraw/zinc/14/81/87/946148187.db2.gz MOGKRUGNYXUMJP-CZUORRHYSA-N 0 1 389.529 1.996 20 0 GDADMN Cc1noc(C(F)F)c1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571294971 946150906 /nfs/dbraw/zinc/15/09/06/946150906.db2.gz RDXMAKSHOZQXHU-KYZUINATSA-N 0 1 390.354 1.291 20 0 GDADMN CC(C)[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1)[NH+](C)C ZINC001571295484 946164057 /nfs/dbraw/zinc/16/40/57/946164057.db2.gz UYKXBVGGOPOKFN-QGZVFWFLSA-N 0 1 389.479 1.236 20 0 GDADMN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001571295764 946174359 /nfs/dbraw/zinc/17/43/59/946174359.db2.gz FIIBNUROTRPAHI-GRYCIOLGSA-N 0 1 390.448 1.131 20 0 GDADMN O=C(c1ccccn1)N1CCC2(C1)CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571298061 946203134 /nfs/dbraw/zinc/20/31/34/946203134.db2.gz ISBZMRPWOBOPLD-UHFFFAOYSA-N 0 1 390.451 1.789 20 0 GDADMN C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571298050 946203974 /nfs/dbraw/zinc/20/39/74/946203974.db2.gz IEUABHGOMDUVBM-VXGBXAGGSA-N 0 1 390.469 1.001 20 0 GDADMN C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571298050 946203982 /nfs/dbraw/zinc/20/39/82/946203982.db2.gz IEUABHGOMDUVBM-VXGBXAGGSA-N 0 1 390.469 1.001 20 0 GDADMN Cc1ccc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571298400 946215501 /nfs/dbraw/zinc/21/55/01/946215501.db2.gz GDRBTFMEIBZICO-BMFZPTHFSA-N 0 1 390.451 1.813 20 0 GDADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1sccc1Cl ZINC001571298517 946218258 /nfs/dbraw/zinc/21/82/58/946218258.db2.gz ABNYAOUFRHOFFK-IUCAKERBSA-N 0 1 390.860 1.509 20 0 GDADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc2c(c1)CCC2 ZINC001571298482 946218425 /nfs/dbraw/zinc/21/84/25/946218425.db2.gz PEBHVCMOZGWQPQ-UHFFFAOYSA-N 0 1 390.451 1.188 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1sccc1Cl ZINC001571298518 946219197 /nfs/dbraw/zinc/21/91/97/946219197.db2.gz ABNYAOUFRHOFFK-RKDXNWHRSA-N 0 1 390.860 1.509 20 0 GDADMN O=C(NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001571298638 946223798 /nfs/dbraw/zinc/22/37/98/946223798.db2.gz BSKRJBHKPFVXNS-UKRRQHHQSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(NC[C@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001571298638 946223810 /nfs/dbraw/zinc/22/38/10/946223810.db2.gz BSKRJBHKPFVXNS-UKRRQHHQSA-N 0 1 390.513 1.968 20 0 GDADMN CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298848 946229333 /nfs/dbraw/zinc/22/93/33/946229333.db2.gz FHKLSRCYZYFUOJ-OLZOCXBDSA-N 0 1 390.517 1.153 20 0 GDADMN CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298848 946229347 /nfs/dbraw/zinc/22/93/47/946229347.db2.gz FHKLSRCYZYFUOJ-OLZOCXBDSA-N 0 1 390.517 1.153 20 0 GDADMN C[C@H]1C[C@H]1C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571298816 946231046 /nfs/dbraw/zinc/23/10/46/946231046.db2.gz KWQQVLDSPJANHD-BLLLJJGKSA-N 0 1 390.451 1.492 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3scnc3Cl)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299017 946235354 /nfs/dbraw/zinc/23/53/54/946235354.db2.gz GWDAAZYBASHSEN-VIFPVBQESA-N 0 1 390.860 1.429 20 0 GDADMN O=C(C1CCC(O)CC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299356 946248866 /nfs/dbraw/zinc/24/88/66/946248866.db2.gz LPBIPYJSGVULSA-MOKVOYLWSA-N 0 1 390.513 1.560 20 0 GDADMN O=C(C1CCC(O)CC1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299356 946248878 /nfs/dbraw/zinc/24/88/78/946248878.db2.gz LPBIPYJSGVULSA-MOKVOYLWSA-N 0 1 390.513 1.560 20 0 GDADMN Cc1nsc(N2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)c1-c1nn[n-]n1 ZINC001571299734 946258526 /nfs/dbraw/zinc/25/85/26/946258526.db2.gz OZVCLZWAEYUAQI-LLVKDONJSA-N 0 1 390.517 1.058 20 0 GDADMN Cc1nsc(N2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)c1-c1nn[n-]n1 ZINC001571299734 946258539 /nfs/dbraw/zinc/25/85/39/946258539.db2.gz OZVCLZWAEYUAQI-LLVKDONJSA-N 0 1 390.517 1.058 20 0 GDADMN Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnccc2C)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299776 946262627 /nfs/dbraw/zinc/26/26/27/946262627.db2.gz UQIATYZPBQOERL-COXVUDFISA-N 0 1 390.451 1.813 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)COC1CCCC1 ZINC001571299870 946265674 /nfs/dbraw/zinc/26/56/74/946265674.db2.gz PZBCABSCENYPIW-OLZOCXBDSA-N 0 1 390.513 1.966 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)COC1CCCC1 ZINC001571299870 946265684 /nfs/dbraw/zinc/26/56/84/946265684.db2.gz PZBCABSCENYPIW-OLZOCXBDSA-N 0 1 390.513 1.966 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001571300074 946271259 /nfs/dbraw/zinc/27/12/59/946271259.db2.gz TYFVKZZEONQVEB-ACJLOTCBSA-N 0 1 390.513 1.778 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001571300074 946271272 /nfs/dbraw/zinc/27/12/72/946271272.db2.gz TYFVKZZEONQVEB-ACJLOTCBSA-N 0 1 390.513 1.778 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300159 946275944 /nfs/dbraw/zinc/27/59/44/946275944.db2.gz VVUZJVUXYDFXQC-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300159 946275954 /nfs/dbraw/zinc/27/59/54/946275954.db2.gz VVUZJVUXYDFXQC-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300159 946275963 /nfs/dbraw/zinc/27/59/63/946275963.db2.gz VVUZJVUXYDFXQC-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300159 946275972 /nfs/dbraw/zinc/27/59/72/946275972.db2.gz VVUZJVUXYDFXQC-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(COC(=O)c1c(F)cc(O)cc1F)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000823022982 946278648 /nfs/dbraw/zinc/27/86/48/946278648.db2.gz UHFWFLIEGHFMKK-UHFFFAOYSA-N 0 1 389.318 1.324 20 0 GDADMN Cc1cnc(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c(C)c1 ZINC001571303834 946350972 /nfs/dbraw/zinc/35/09/72/946350972.db2.gz ZAGWGGJIBHFYQP-UONOGXRCSA-N 0 1 391.439 1.019 20 0 GDADMN O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1nc(Cl)cs1 ZINC001571305517 946368329 /nfs/dbraw/zinc/36/83/29/946368329.db2.gz CVDUPGOSJRRMGO-MRVPVSSYSA-N 0 1 391.848 1.165 20 0 GDADMN O=C(CCc1ccccn1)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571305619 946370951 /nfs/dbraw/zinc/37/09/51/946370951.db2.gz HPYNYDJOFRVDHI-UHFFFAOYSA-N 0 1 391.479 1.929 20 0 GDADMN O=C(c1cncc(F)c1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823497925 946437246 /nfs/dbraw/zinc/43/72/46/946437246.db2.gz AYUZBCYERUVXSU-UHFFFAOYSA-N 0 1 381.415 1.749 20 0 GDADMN C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571308911 946438037 /nfs/dbraw/zinc/43/80/37/946438037.db2.gz VQTXRJKIQRNZPT-DLOVCJGASA-N 0 1 392.414 1.279 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)n1cccc1 ZINC001571310810 946478922 /nfs/dbraw/zinc/47/89/22/946478922.db2.gz NQESFYFDKRNBBM-MGPUTAFESA-N 0 1 392.467 1.753 20 0 GDADMN CCc1ccnc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571312657 946499054 /nfs/dbraw/zinc/49/90/54/946499054.db2.gz AAERAXCXFQZVPN-OAHLLOKOSA-N 0 1 392.467 1.666 20 0 GDADMN CN(C)c1cc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)ccn1 ZINC001571312724 946500460 /nfs/dbraw/zinc/50/04/60/946500460.db2.gz BVOMSNDFELJMNP-QGZVFWFLSA-N 0 1 392.467 1.332 20 0 GDADMN CCc1cccnc1C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571312990 946508853 /nfs/dbraw/zinc/50/88/53/946508853.db2.gz GXHURSSMUJEDLZ-UKRRQHHQSA-N 0 1 392.467 1.721 20 0 GDADMN Cc1cc(NC[C@@H]2CC[C@H](NC(=O)c3ccncc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315142 946547502 /nfs/dbraw/zinc/54/75/02/946547502.db2.gz GSBILOGXSQFCQI-CABCVRRESA-N 0 1 392.467 1.706 20 0 GDADMN Cc1ccc(CC(=O)N2C[C@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571315857 946560249 /nfs/dbraw/zinc/56/02/49/946560249.db2.gz PUKCKFWURRICJV-BBRMVZONSA-N 0 1 392.467 1.136 20 0 GDADMN Cc1cc(C)nc(C(=O)N2CC[C@H](CCNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571316163 946568493 /nfs/dbraw/zinc/56/84/93/946568493.db2.gz VGMFWPBLGOFFMC-HNNXBMFYSA-N 0 1 392.467 1.660 20 0 GDADMN Cn1nc2c(c1C(=O)N[C@@H]1CCN(Cc3ccccc3-c3nn[nH]n3)C1)CCC2 ZINC001571316505 946579126 /nfs/dbraw/zinc/57/91/26/946579126.db2.gz DYLUGICNTLNTCW-CQSZACIVSA-N 0 1 392.467 1.093 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1ccnn1C1CCC1 ZINC001571316567 946582582 /nfs/dbraw/zinc/58/25/82/946582582.db2.gz GTEAXPWWNBZZFS-OAHLLOKOSA-N 0 1 392.467 1.793 20 0 GDADMN Cc1cnc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)cc1C ZINC001571316694 946584981 /nfs/dbraw/zinc/58/49/81/946584981.db2.gz KBAWLAYFQMWEHJ-GOEBONIOSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1nnccc1C(=O)NC[C@@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571317175 946600764 /nfs/dbraw/zinc/60/07/64/946600764.db2.gz XJEANAXALRMHQX-KRWDZBQOSA-N 0 1 392.467 1.750 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)c1cc(C2CC2)n[nH]1 ZINC001571317518 946611995 /nfs/dbraw/zinc/61/19/95/946611995.db2.gz LDGZKIXUBIEZIH-HNNXBMFYSA-N 0 1 392.467 1.862 20 0 GDADMN Brc1cc2ncnc(NCCn3cnc(-c4nn[nH]n4)n3)c2s1 ZINC001573279617 946646508 /nfs/dbraw/zinc/64/65/08/946646508.db2.gz KKFNPLIGCSNYDP-UHFFFAOYSA-N 0 1 393.234 1.338 20 0 GDADMN C[C@@H](NCC(=O)NCCOc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562360 946802236 /nfs/dbraw/zinc/80/22/36/946802236.db2.gz GGDHXGCJCFXLRZ-CYBMUJFWSA-N 0 1 384.415 1.852 20 0 GDADMN C[C@H](NCc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000824612212 946862488 /nfs/dbraw/zinc/86/24/88/946862488.db2.gz KUZSANNHGJQAJY-JTQLQIEISA-N 0 1 376.417 1.504 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573593180 947364565 /nfs/dbraw/zinc/36/45/65/947364565.db2.gz REGCYPKHYRATBQ-ZFWWWQNUSA-N 0 1 387.488 1.344 20 0 GDADMN C[C@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573593357 947367266 /nfs/dbraw/zinc/36/72/66/947367266.db2.gz RWQDQEJUHUFZNJ-RYUDHWBXSA-N 0 1 384.469 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000826073248 947422810 /nfs/dbraw/zinc/42/28/10/947422810.db2.gz LLJOVQOSOGKOBU-CYBMUJFWSA-N 0 1 382.472 1.868 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000826073248 947422815 /nfs/dbraw/zinc/42/28/15/947422815.db2.gz LLJOVQOSOGKOBU-CYBMUJFWSA-N 0 1 382.472 1.868 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC001573598852 947446544 /nfs/dbraw/zinc/44/65/44/947446544.db2.gz SMNSBEXAMQQISO-QAPCUYQASA-N 0 1 379.468 1.962 20 0 GDADMN C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1c(F)cccc1F ZINC001573602901 947473353 /nfs/dbraw/zinc/47/33/53/947473353.db2.gz BHJNCXHGLMRGDR-SNVBAGLBSA-N 0 1 388.382 1.031 20 0 GDADMN CC(C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1)=C1CCC1 ZINC001573607537 947550010 /nfs/dbraw/zinc/55/00/10/947550010.db2.gz OKNMQMJDHKYWQQ-MLGOLLRUSA-N 0 1 381.484 1.999 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573614388 947583075 /nfs/dbraw/zinc/58/30/75/947583075.db2.gz DVNYBJYDJPLLCF-MNOVXSKESA-N 0 1 383.378 1.745 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573614814 947592874 /nfs/dbraw/zinc/59/28/74/947592874.db2.gz HMYIRTINTTZTKU-VXGBXAGGSA-N 0 1 384.469 1.204 20 0 GDADMN C[C@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573616351 947620751 /nfs/dbraw/zinc/62/07/51/947620751.db2.gz IBKCWRDRGYZOPS-SNVBAGLBSA-N 0 1 383.378 1.533 20 0 GDADMN C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573616924 947629792 /nfs/dbraw/zinc/62/97/92/947629792.db2.gz ZGJTZLYRWXXHHH-ORAYPTAESA-N 0 1 384.488 1.555 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573355948 947648592 /nfs/dbraw/zinc/64/85/92/947648592.db2.gz TWHVCRVDTWTLKW-HNNXBMFYSA-N 0 1 376.424 1.699 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573625196 947698939 /nfs/dbraw/zinc/69/89/39/947698939.db2.gz NPOAHCMJQREXFL-STQMWFEESA-N 0 1 381.415 1.639 20 0 GDADMN C/C(=C/C(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573363986 947715609 /nfs/dbraw/zinc/71/56/09/947715609.db2.gz OTGCVLPFPZXTKN-ODLDAVEWSA-N 0 1 382.472 1.616 20 0 GDADMN CC(=O)CCCC(=O)N(C)C[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573367952 947765399 /nfs/dbraw/zinc/76/53/99/947765399.db2.gz JQJWTUDVSIBSBZ-GFCCVEGCSA-N 0 1 376.436 1.702 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573630794 947797769 /nfs/dbraw/zinc/79/77/69/947797769.db2.gz SGNPOOATNRPKKS-NXEZZACHSA-N 0 1 384.366 1.282 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826283853 947815687 /nfs/dbraw/zinc/81/56/87/947815687.db2.gz COIREIYXIVWHBL-KRWDZBQOSA-N 0 1 395.467 1.967 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573637950 947829021 /nfs/dbraw/zinc/82/90/21/947829021.db2.gz WYJWTSJTZRJFRD-UWVGGRQHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1ccsc1 ZINC001573638764 947841398 /nfs/dbraw/zinc/84/13/98/947841398.db2.gz USEQSLZBQQZOFD-GXTWGEPZSA-N 0 1 383.481 1.952 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1ccsc1 ZINC001573638765 947842841 /nfs/dbraw/zinc/84/28/41/947842841.db2.gz USEQSLZBQQZOFD-TZMCWYRMSA-N 0 1 383.481 1.952 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573640092 947851491 /nfs/dbraw/zinc/85/14/91/947851491.db2.gz FKAVMCBWPKFVOF-DGCLKSJQSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573640092 947851497 /nfs/dbraw/zinc/85/14/97/947851497.db2.gz FKAVMCBWPKFVOF-DGCLKSJQSA-N 0 1 376.486 1.291 20 0 GDADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc(-c4nn[nH]n4)cc3)[nH]c21 ZINC000826304304 947873786 /nfs/dbraw/zinc/87/37/86/947873786.db2.gz GIMYGTKTYQJYIV-UHFFFAOYSA-N 0 1 376.380 1.306 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573382712 947885756 /nfs/dbraw/zinc/88/57/56/947885756.db2.gz JSYWNHLZYQHOGF-BETUJISGSA-N 0 1 376.486 1.672 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573382712 947885762 /nfs/dbraw/zinc/88/57/62/947885762.db2.gz JSYWNHLZYQHOGF-BETUJISGSA-N 0 1 376.486 1.672 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)n1cccc1 ZINC001573647590 947899766 /nfs/dbraw/zinc/89/97/66/947899766.db2.gz PSNAGQVNGRLGHG-QLFBSQMISA-N 0 1 380.456 1.253 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651136 947917645 /nfs/dbraw/zinc/91/76/45/947917645.db2.gz IQDKGCXNYJDCQG-JKDFXYPNSA-N 0 1 391.426 1.838 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573651716 947923852 /nfs/dbraw/zinc/92/38/52/947923852.db2.gz PVMBGPJLMZOTHR-WXHSDQCUSA-N 0 1 382.453 1.311 20 0 GDADMN C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573654216 947964117 /nfs/dbraw/zinc/96/41/17/947964117.db2.gz PPRZNYIRVUGLAL-BLVKFPJESA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573655194 947974825 /nfs/dbraw/zinc/97/48/25/947974825.db2.gz WJTWTXYUEKNGSN-VHSXEESVSA-N 0 1 382.419 1.313 20 0 GDADMN Cc1onc(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826342877 947986711 /nfs/dbraw/zinc/98/67/11/947986711.db2.gz CYXBVHPYIUJTGX-INIZCTEOSA-N 0 1 395.467 1.686 20 0 GDADMN Cc1onc(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826342877 947986715 /nfs/dbraw/zinc/98/67/15/947986715.db2.gz CYXBVHPYIUJTGX-INIZCTEOSA-N 0 1 395.467 1.686 20 0 GDADMN Cc1onc(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826342877 947986726 /nfs/dbraw/zinc/98/67/26/947986726.db2.gz CYXBVHPYIUJTGX-INIZCTEOSA-N 0 1 395.467 1.686 20 0 GDADMN Cc1onc(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826342877 947986733 /nfs/dbraw/zinc/98/67/33/947986733.db2.gz CYXBVHPYIUJTGX-INIZCTEOSA-N 0 1 395.467 1.686 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826344590 948008702 /nfs/dbraw/zinc/00/87/02/948008702.db2.gz LZCSUWPULCOSMD-UHFFFAOYSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826344590 948008712 /nfs/dbraw/zinc/00/87/12/948008712.db2.gz LZCSUWPULCOSMD-UHFFFAOYSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826344590 948008721 /nfs/dbraw/zinc/00/87/21/948008721.db2.gz LZCSUWPULCOSMD-UHFFFAOYSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826344590 948008730 /nfs/dbraw/zinc/00/87/30/948008730.db2.gz LZCSUWPULCOSMD-UHFFFAOYSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826347099 948048992 /nfs/dbraw/zinc/04/89/92/948048992.db2.gz FDJWACCRZRQRDR-ZDUSSCGKSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826347099 948049003 /nfs/dbraw/zinc/04/90/03/948049003.db2.gz FDJWACCRZRQRDR-ZDUSSCGKSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347099 948049012 /nfs/dbraw/zinc/04/90/12/948049012.db2.gz FDJWACCRZRQRDR-ZDUSSCGKSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347099 948049022 /nfs/dbraw/zinc/04/90/22/948049022.db2.gz FDJWACCRZRQRDR-ZDUSSCGKSA-N 0 1 383.456 1.732 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)C1CCCC1 ZINC001573691438 948243537 /nfs/dbraw/zinc/24/35/37/948243537.db2.gz HAHWXXJILBAHQB-CYBMUJFWSA-N 0 1 384.488 1.746 20 0 GDADMN C[C@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@@H]1CCCO1 ZINC001573692692 948270823 /nfs/dbraw/zinc/27/08/23/948270823.db2.gz RVFSWYYVZKBHJD-LRDDRELGSA-N 0 1 388.447 1.559 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H](C)C(=O)[O-] ZINC001602757483 971471798 /nfs/dbraw/zinc/47/17/98/971471798.db2.gz ISKYHGQMXHIHAA-APWZRJJASA-N 0 1 377.485 1.189 20 0 GDADMN CC(=O)NCCN(C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](C)C(=O)[O-] ZINC001602757483 971471799 /nfs/dbraw/zinc/47/17/99/971471799.db2.gz ISKYHGQMXHIHAA-APWZRJJASA-N 0 1 377.485 1.189 20 0 GDADMN CC(=O)NCCN(C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](C)C(=O)[O-] ZINC001602757483 971471802 /nfs/dbraw/zinc/47/18/02/971471802.db2.gz ISKYHGQMXHIHAA-APWZRJJASA-N 0 1 377.485 1.189 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H](C)C(=O)[O-] ZINC001602757484 971471502 /nfs/dbraw/zinc/47/15/02/971471502.db2.gz ISKYHGQMXHIHAA-LPHOPBHVSA-N 0 1 377.485 1.189 20 0 GDADMN CC(=O)NCCN(C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](C)C(=O)[O-] ZINC001602757484 971471508 /nfs/dbraw/zinc/47/15/08/971471508.db2.gz ISKYHGQMXHIHAA-LPHOPBHVSA-N 0 1 377.485 1.189 20 0 GDADMN CC(=O)NCCN(C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](C)C(=O)[O-] ZINC001602757484 971471514 /nfs/dbraw/zinc/47/15/14/971471514.db2.gz ISKYHGQMXHIHAA-LPHOPBHVSA-N 0 1 377.485 1.189 20 0 GDADMN C[C@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573704351 948372473 /nfs/dbraw/zinc/37/24/73/948372473.db2.gz ATGMGPPYBWQTAZ-CYBMUJFWSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573708950 948464045 /nfs/dbraw/zinc/46/40/45/948464045.db2.gz ZLSWBEMJRDTLOI-CQSZACIVSA-N 0 1 377.452 1.613 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573713659 948466156 /nfs/dbraw/zinc/46/61/56/948466156.db2.gz AUAIQDFLRZWFAS-RYUDHWBXSA-N 0 1 379.415 1.886 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C(C)(F)F ZINC001573725609 948544254 /nfs/dbraw/zinc/54/42/54/948544254.db2.gz CHEDULKKLDNHKG-GMTAPVOTSA-N 0 1 380.403 1.137 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573728175 948559827 /nfs/dbraw/zinc/55/98/27/948559827.db2.gz PRERMLIHGQPBFX-GRYCIOLGSA-N 0 1 379.415 1.672 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573731228 948588763 /nfs/dbraw/zinc/58/87/63/948588763.db2.gz FRAUHLGUCMMLSI-OLZOCXBDSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)c1ccco1 ZINC001573751980 948709669 /nfs/dbraw/zinc/70/96/69/948709669.db2.gz JBDIWKFFVVWBEN-KBNOKHGBSA-N 0 1 384.465 1.871 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)c1ccco1 ZINC001573751980 948709676 /nfs/dbraw/zinc/70/96/76/948709676.db2.gz JBDIWKFFVVWBEN-KBNOKHGBSA-N 0 1 384.465 1.871 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574416149 948744487 /nfs/dbraw/zinc/74/44/87/948744487.db2.gz PPRRBMRCPQRFFB-GFCCVEGCSA-N 0 1 381.444 1.430 20 0 GDADMN CC(C)[C@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574075660 948746250 /nfs/dbraw/zinc/74/62/50/948746250.db2.gz YJTUMDPGDXCAQY-KSSFIOAISA-N 0 1 388.451 1.470 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)cc1 ZINC001574416511 948748947 /nfs/dbraw/zinc/74/89/47/948748947.db2.gz VYQBBGCDJPOLBB-OAHLLOKOSA-N 0 1 381.440 1.010 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575225774 948811568 /nfs/dbraw/zinc/81/15/68/948811568.db2.gz FDSRKBBWHANUNJ-NSHDSACASA-N 0 1 380.403 1.165 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCCCO1 ZINC001573763401 948866555 /nfs/dbraw/zinc/86/65/55/948866555.db2.gz DRYCRCUASGVHBN-CJNGLKHVSA-N 0 1 385.472 1.292 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001574684674 948883372 /nfs/dbraw/zinc/88/33/72/948883372.db2.gz KOAYXEUPAMEJEP-RTHLEPHNSA-N 0 1 385.881 1.710 20 0 GDADMN C[C@@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574684746 948884780 /nfs/dbraw/zinc/88/47/80/948884780.db2.gz LYYRLAZNAJOBTK-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574684746 948884834 /nfs/dbraw/zinc/88/48/34/948884834.db2.gz LYYRLAZNAJOBTK-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574684746 948884853 /nfs/dbraw/zinc/88/48/53/948884853.db2.gz LYYRLAZNAJOBTK-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)no1 ZINC001574426638 948891695 /nfs/dbraw/zinc/89/16/95/948891695.db2.gz UNXPCRAGQLETCZ-QWRGUYRKSA-N 0 1 386.420 1.279 20 0 GDADMN CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575234346 948899474 /nfs/dbraw/zinc/89/94/74/948899474.db2.gz BCNWOPYIHDXEQS-RYUDHWBXSA-N 0 1 392.414 1.662 20 0 GDADMN CC(F)(F)CCC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234357 948900172 /nfs/dbraw/zinc/90/01/72/948900172.db2.gz BHGWDMXYLHDFBN-NSHDSACASA-N 0 1 380.403 1.165 20 0 GDADMN CC(C)c1ncc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccncc2-c2nn[nH]n2)s1 ZINC001574427826 948914304 /nfs/dbraw/zinc/91/43/04/948914304.db2.gz RDEGUGFMWFYIFB-MNOVXSKESA-N 0 1 386.485 1.882 20 0 GDADMN CC(C)c1ncsc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574432723 948937801 /nfs/dbraw/zinc/93/78/01/948937801.db2.gz CECNOGJYCVDQJL-JTQLQIEISA-N 0 1 387.473 1.279 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573771894 948950379 /nfs/dbraw/zinc/95/03/79/948950379.db2.gz NSPJFVXGAUSIBB-HNNXBMFYSA-N 0 1 392.467 1.720 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574433126 948951038 /nfs/dbraw/zinc/95/10/38/948951038.db2.gz IEUSXBQLNBLTTJ-NSHDSACASA-N 0 1 388.501 1.693 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574433126 948951046 /nfs/dbraw/zinc/95/10/46/948951046.db2.gz IEUSXBQLNBLTTJ-NSHDSACASA-N 0 1 388.501 1.693 20 0 GDADMN CC(C)(C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCC1 ZINC001573772224 948951705 /nfs/dbraw/zinc/95/17/05/948951705.db2.gz RGJDFQRFPCIBMI-UHFFFAOYSA-N 0 1 384.488 1.443 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089957 948973559 /nfs/dbraw/zinc/97/35/59/948973559.db2.gz GSQDRDVSXVUKFF-GJZGRUSLSA-N 0 1 384.488 1.624 20 0 GDADMN C[C@@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)Cc1[nH]nc2ccccc21 ZINC001574690475 949002090 /nfs/dbraw/zinc/00/20/90/949002090.db2.gz PCOCYGWDUDVIIQ-LBPRGKRZSA-N 0 1 391.439 1.687 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574091926 949042185 /nfs/dbraw/zinc/04/21/85/949042185.db2.gz PXBDCXXHQSHSFZ-KGLIPLIRSA-N 0 1 385.472 1.001 20 0 GDADMN CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2ccncc2-c2nn[nH]n2)CCO1 ZINC001574092888 949083159 /nfs/dbraw/zinc/08/31/59/949083159.db2.gz QBDPPALXFVRQDS-PBHICJAKSA-N 0 1 387.488 1.395 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573782504 949125134 /nfs/dbraw/zinc/12/51/34/949125134.db2.gz AMFXIQMNEMWJEO-MQMHXKEQSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574094120 949127011 /nfs/dbraw/zinc/12/70/11/949127011.db2.gz XMZIDYBXZBOVQV-KBPBESRZSA-N 0 1 385.472 1.053 20 0 GDADMN CC(C)(C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573782737 949128488 /nfs/dbraw/zinc/12/84/88/949128488.db2.gz WWVVNMMEGHUMAV-LLVKDONJSA-N 0 1 379.415 1.886 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573783115 949140133 /nfs/dbraw/zinc/14/01/33/949140133.db2.gz QWOZGXKPHYKCBA-CTYIDZIISA-N 0 1 392.467 1.363 20 0 GDADMN C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251865 949153389 /nfs/dbraw/zinc/15/33/89/949153389.db2.gz OTWSAABBYVAGHK-IUCAKERBSA-N 0 1 384.366 1.116 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCC1 ZINC001573786911 949155697 /nfs/dbraw/zinc/15/56/97/949155697.db2.gz FDPNAYHJXZTONS-AWEZNQCLSA-N 0 1 384.488 1.221 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1F)CNc1ccncc1-c1nn[nH]n1 ZINC001574934650 949172965 /nfs/dbraw/zinc/17/29/65/949172965.db2.gz NCAUGFOKBPSQIK-GFCCVEGCSA-N 0 1 385.403 1.066 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574698348 949187946 /nfs/dbraw/zinc/18/79/46/949187946.db2.gz JKJWTXYESKMDFC-CJNGLKHVSA-N 0 1 383.431 1.523 20 0 GDADMN C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576151190 949212149 /nfs/dbraw/zinc/21/21/49/949212149.db2.gz DJDBNORUCJATNR-LSDHHAIUSA-N 0 1 387.488 1.752 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574936701 949215346 /nfs/dbraw/zinc/21/53/46/949215346.db2.gz KBFPQYLYUOVRCB-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574936701 949215372 /nfs/dbraw/zinc/21/53/72/949215372.db2.gz KBFPQYLYUOVRCB-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574936604 949217193 /nfs/dbraw/zinc/21/71/93/949217193.db2.gz JJWURSDOGFFKKQ-SECBINFHSA-N 0 1 390.810 1.030 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001574937183 949219509 /nfs/dbraw/zinc/21/95/09/949219509.db2.gz LXDCSWVQJWVGER-LLVKDONJSA-N 0 1 387.394 1.369 20 0 GDADMN C[C@@H](NC(=O)C12CC(C(C)(C)C)(C1)C2)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575255592 949238421 /nfs/dbraw/zinc/23/84/21/949238421.db2.gz RDBXGPKAHDMBRN-WYRKNMIISA-N 0 1 384.488 1.600 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574700032 949253862 /nfs/dbraw/zinc/25/38/62/949253862.db2.gz XYCRGNDJQXKXMN-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574701487 949263160 /nfs/dbraw/zinc/26/31/60/949263160.db2.gz BCARHIQQOFTVQP-ZDUSSCGKSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@H](NC(=O)[C@]1(C)CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575257325 949270607 /nfs/dbraw/zinc/27/06/07/949270607.db2.gz ZYZSUXLOTOUDSL-KPZWWZAWSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)C1(F)CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574701752 949271088 /nfs/dbraw/zinc/27/10/88/949271088.db2.gz CMTOLCQJBVRIIH-LLVKDONJSA-N 0 1 382.465 1.383 20 0 GDADMN C[C@H](CN(C)C(=O)C1(F)CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574701752 949271111 /nfs/dbraw/zinc/27/11/11/949271111.db2.gz CMTOLCQJBVRIIH-LLVKDONJSA-N 0 1 382.465 1.383 20 0 GDADMN CC1=C(C)C[C@](C)(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575860198 949295102 /nfs/dbraw/zinc/29/51/02/949295102.db2.gz DFZOKJOKJXKEDS-AUUYWEPGSA-N 0 1 384.488 1.864 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702842 949298036 /nfs/dbraw/zinc/29/80/36/949298036.db2.gz MRDFASKIJPJOGT-ZUOKHONESA-N 0 1 392.467 1.242 20 0 GDADMN CC(C)n1ccc(C(=O)NCCN(C)Cc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001574457180 949316404 /nfs/dbraw/zinc/31/64/04/949316404.db2.gz AXVPBAIOZHWMOF-UHFFFAOYSA-N 0 1 386.435 1.645 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)C1CC2(C1)CCOCC2 ZINC001575259205 949325601 /nfs/dbraw/zinc/32/56/01/949325601.db2.gz NUEXOVQKQYYJMI-OLZOCXBDSA-N 0 1 385.472 1.196 20 0 GDADMN CC(C)(C)C(=O)N1CCCC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573797043 949350498 /nfs/dbraw/zinc/35/04/98/949350498.db2.gz YXOGILIVPJZZIL-IBGZPJMESA-N 0 1 384.488 1.912 20 0 GDADMN C[C@@H](c1ncccn1)N1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525944 949360168 /nfs/dbraw/zinc/36/01/68/949360168.db2.gz ZUFJNKKJQXXMJS-HZSPNIEDSA-N 0 1 395.471 1.434 20 0 GDADMN C[C@H](NC(=O)C1=COCCO1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575260876 949363060 /nfs/dbraw/zinc/36/30/60/949363060.db2.gz YEZVTSQIGSKIJX-BQBZGAKWSA-N 0 1 385.837 1.170 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574704587 949396911 /nfs/dbraw/zinc/39/69/11/949396911.db2.gz DEQBUEKVTAPGLA-PBHICJAKSA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574704587 949396930 /nfs/dbraw/zinc/39/69/30/949396930.db2.gz DEQBUEKVTAPGLA-PBHICJAKSA-N 0 1 386.504 1.783 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263422 949399689 /nfs/dbraw/zinc/39/96/89/949399689.db2.gz GXQHNLJFPUMWMM-NSHDSACASA-N 0 1 376.436 1.103 20 0 GDADMN C[C@@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575263590 949401997 /nfs/dbraw/zinc/40/19/97/949401997.db2.gz IHGXMEXCOGBAQP-MNOVXSKESA-N 0 1 383.378 1.935 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001574465010 949426474 /nfs/dbraw/zinc/42/64/74/949426474.db2.gz SPWKJDWVXHCLLP-INIZCTEOSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574705626 949434044 /nfs/dbraw/zinc/43/40/44/949434044.db2.gz JILCECJOXKHMRR-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576156245 949436433 /nfs/dbraw/zinc/43/64/33/949436433.db2.gz MGARESOZRORDNW-KPZWWZAWSA-N 0 1 381.444 1.198 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574706484 949459634 /nfs/dbraw/zinc/45/96/34/949459634.db2.gz ZALYICJVQHPDDF-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574706484 949459640 /nfs/dbraw/zinc/45/96/40/949459640.db2.gz ZALYICJVQHPDDF-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575266183 949472210 /nfs/dbraw/zinc/47/22/10/949472210.db2.gz XTQDRWTTXYYPHN-UWVGGRQHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCCO1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575267605 949503973 /nfs/dbraw/zinc/50/39/73/949503973.db2.gz IRHPECUGXXKIRJ-SWLSCSKDSA-N 0 1 388.447 1.511 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[NH+](C)C ZINC001576159005 949510230 /nfs/dbraw/zinc/51/02/30/949510230.db2.gz VRZRLFAIPCUAPE-SCLBCKFNSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[NH+](C)C ZINC001576159005 949510251 /nfs/dbraw/zinc/51/02/51/949510251.db2.gz VRZRLFAIPCUAPE-SCLBCKFNSA-N 0 1 387.492 1.085 20 0 GDADMN CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001575538102 949511827 /nfs/dbraw/zinc/51/18/27/949511827.db2.gz CMABGGSZHRLZKZ-KRWDZBQOSA-N 0 1 376.486 1.171 20 0 GDADMN CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001575538102 949511842 /nfs/dbraw/zinc/51/18/42/949511842.db2.gz CMABGGSZHRLZKZ-KRWDZBQOSA-N 0 1 376.486 1.171 20 0 GDADMN C[C@H](CNC(=O)OC(C)(C)C)N(C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001574950000 949523120 /nfs/dbraw/zinc/52/31/20/949523120.db2.gz JLPUATHJLJDXFB-DOMZBBRYSA-N 0 1 376.461 1.745 20 0 GDADMN C[C@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872710 949556280 /nfs/dbraw/zinc/55/62/80/949556280.db2.gz LAYRDGRHIQPOPR-TXCIGDHXSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873287 949578450 /nfs/dbraw/zinc/57/84/50/949578450.db2.gz AVCRBUBVAIFVAB-KGLIPLIRSA-N 0 1 381.444 1.022 20 0 GDADMN C[C@@H](CC(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1 ZINC001574476477 949603433 /nfs/dbraw/zinc/60/34/33/949603433.db2.gz DAWCTRVDZXRRJD-LBPRGKRZSA-N 0 1 384.419 1.282 20 0 GDADMN C[C@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001576167233 949605012 /nfs/dbraw/zinc/60/50/12/949605012.db2.gz BGIVOEVCNQRSBR-GJZGRUSLSA-N 0 1 387.488 1.133 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2cccnc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576168855 949652084 /nfs/dbraw/zinc/65/20/84/949652084.db2.gz CTLJESJJZLYPQE-KSSFIOAISA-N 0 1 392.467 1.360 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C12CCC(CC1)C2 ZINC001573815943 949667042 /nfs/dbraw/zinc/66/70/42/949667042.db2.gz MEKLMSCNKLAUGI-MLZJXEJWSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC2(CCC2)C1 ZINC001573816681 949686457 /nfs/dbraw/zinc/68/64/57/949686457.db2.gz UODSKWLJPWUSEG-ZDUSSCGKSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576169722 949688158 /nfs/dbraw/zinc/68/81/58/949688158.db2.gz ZWQSIXYPLCXUIW-GUYCJALGSA-N 0 1 383.456 1.069 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001573817221 949698961 /nfs/dbraw/zinc/69/89/61/949698961.db2.gz YUPSTLXGKMQNPR-SNVBAGLBSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574478340 949704746 /nfs/dbraw/zinc/70/47/46/949704746.db2.gz YPCNVTRWTRJFKF-KGLIPLIRSA-N 0 1 381.444 1.147 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOCC1 ZINC001573817834 949707670 /nfs/dbraw/zinc/70/76/70/949707670.db2.gz BKWSWUUVIVTUEW-XJKSGUPXSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574959829 949717894 /nfs/dbraw/zinc/71/78/94/949717894.db2.gz UUAIIIVJUVSXQO-IYDIDCQVSA-N 0 1 388.447 1.510 20 0 GDADMN C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717040 949724452 /nfs/dbraw/zinc/72/44/52/949724452.db2.gz SOSLKJCOEQYFAT-JTQLQIEISA-N 0 1 383.378 1.675 20 0 GDADMN C[C@H]1CCCC[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576170770 949740217 /nfs/dbraw/zinc/74/02/17/949740217.db2.gz MVMKWVUJTYTIQG-DZGCQCFKSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H](NC(=O)CCc1cccnc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277253 949744147 /nfs/dbraw/zinc/74/41/47/949744147.db2.gz PFIJJIOZFPZINB-HNNXBMFYSA-N 0 1 391.479 1.831 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cccs1 ZINC001573820316 949762187 /nfs/dbraw/zinc/76/21/87/949762187.db2.gz XKFDAGJYEXMAPU-LBPRGKRZSA-N 0 1 386.485 1.326 20 0 GDADMN C[C@@H](NC(=O)CCc1cnc[nH]1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575279233 949776941 /nfs/dbraw/zinc/77/69/41/949776941.db2.gz XQTIMFMLNXXDRN-NXEZZACHSA-N 0 1 389.851 1.576 20 0 GDADMN C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574964815 949785319 /nfs/dbraw/zinc/78/53/19/949785319.db2.gz ABGSYBBLRNZSLC-VQVTYTSYSA-N 0 1 391.835 1.819 20 0 GDADMN C[C@H](CNC(=O)c1c(Cl)cnn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574965734 949809284 /nfs/dbraw/zinc/80/92/84/949809284.db2.gz KMVRFPUDBXBZMS-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccncc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574722701 949841162 /nfs/dbraw/zinc/84/11/62/949841162.db2.gz VQKDXYIAHJEINA-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccncc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574722701 949841183 /nfs/dbraw/zinc/84/11/83/949841183.db2.gz VQKDXYIAHJEINA-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@H](CN(C)C(=O)CCn1cccn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725013 949886581 /nfs/dbraw/zinc/88/65/81/949886581.db2.gz NFVURPUNWZOEAB-CYBMUJFWSA-N 0 1 386.435 1.229 20 0 GDADMN CC1(C(=O)N[C@H]2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575565786 949890053 /nfs/dbraw/zinc/89/00/53/949890053.db2.gz YKHIENLTMQTQMD-KBPBESRZSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575568565 949895517 /nfs/dbraw/zinc/89/55/17/949895517.db2.gz ALOVXXDMTCSAOX-VLIAUNLRSA-N 0 1 390.451 1.256 20 0 GDADMN CC1(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001575566030 949895998 /nfs/dbraw/zinc/89/59/98/949895998.db2.gz ZSUINJPUQVYTKM-KRWDZBQOSA-N 0 1 384.484 1.764 20 0 GDADMN CCCCn1nc(C)c(-c2cc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])n[nH]2)c1C ZINC001589667093 949898562 /nfs/dbraw/zinc/89/85/62/949898562.db2.gz HGDJKXGQQTWKGU-UHFFFAOYSA-N 0 1 390.488 1.779 20 0 GDADMN C[C@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574488838 949950839 /nfs/dbraw/zinc/95/08/39/949950839.db2.gz GQIHJNFJJGLSHO-YMTOWFKASA-N 0 1 384.366 1.330 20 0 GDADMN CCC[N@@H+](CCS(=O)(=O)CC(=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC001589674174 949969686 /nfs/dbraw/zinc/96/96/86/949969686.db2.gz BESIFAHYBGDYOZ-UHFFFAOYSA-N 0 1 396.509 1.503 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)c1ccco1 ZINC001574489732 949970138 /nfs/dbraw/zinc/97/01/38/949970138.db2.gz LOBUAWPYZHKPPG-RRFJBIMHSA-N 0 1 395.467 1.977 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181483 950008939 /nfs/dbraw/zinc/00/89/39/950008939.db2.gz IMDNRKWSYAOKJP-OLZOCXBDSA-N 0 1 388.451 1.257 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574729571 950022290 /nfs/dbraw/zinc/02/22/90/950022290.db2.gz OLCKZUPXVDSTJX-AWEZNQCLSA-N 0 1 391.479 1.674 20 0 GDADMN C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182004 950029309 /nfs/dbraw/zinc/02/93/09/950029309.db2.gz KHDFIFUGLXRSEK-ZIAGYGMSSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001574491633 950040524 /nfs/dbraw/zinc/04/05/24/950040524.db2.gz FDFXWHDGDBIKKQ-GFCCVEGCSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@]1(C(=O)NCC2(NCc3cc(-c4nn[nH]n4)ccc3F)CC2)CCCOC1 ZINC001575575400 950052702 /nfs/dbraw/zinc/05/27/02/950052702.db2.gz IRTGVIZDLNZGFL-SFHVURJKSA-N 0 1 388.447 1.561 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001574151050 950056074 /nfs/dbraw/zinc/05/60/74/950056074.db2.gz KDWBRQUYOMMHOK-KBPBESRZSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001574151050 950056098 /nfs/dbraw/zinc/05/60/98/950056098.db2.gz KDWBRQUYOMMHOK-KBPBESRZSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491984 950058466 /nfs/dbraw/zinc/05/84/66/950058466.db2.gz HYALNMGSNXCBNK-DZGCQCFKSA-N 0 1 378.440 1.545 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574732263 950072063 /nfs/dbraw/zinc/07/20/63/950072063.db2.gz IBHFKZNURGXHII-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574732263 950072084 /nfs/dbraw/zinc/07/20/84/950072084.db2.gz IBHFKZNURGXHII-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575894081 950095718 /nfs/dbraw/zinc/09/57/18/950095718.db2.gz CXMZHEDTNAGSIF-WCQYABFASA-N 0 1 386.485 1.445 20 0 GDADMN C[C@@H](CC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001574492687 950100015 /nfs/dbraw/zinc/10/00/15/950100015.db2.gz ONFRYQJCBVFFRV-AIMVFPRCSA-N 0 1 382.472 1.354 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1nccs1 ZINC001576183745 950101053 /nfs/dbraw/zinc/10/10/53/950101053.db2.gz UJBWIEZHYSHOJZ-RISCZKNCSA-N 0 1 386.485 1.682 20 0 GDADMN CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574492760 950102046 /nfs/dbraw/zinc/10/20/46/950102046.db2.gz COQXTDBMOJRPDQ-CHWSQXEVSA-N 0 1 384.444 1.418 20 0 GDADMN CC1(C(=O)NC[C@]2(O)CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCC1 ZINC001575582578 950121585 /nfs/dbraw/zinc/12/15/85/950121585.db2.gz KPLWGOVWTNKWNE-LJQANCHMSA-N 0 1 388.447 1.249 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cncn2C)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896128 950122824 /nfs/dbraw/zinc/12/28/24/950122824.db2.gz KHIBQVVNXYSGLD-CZUORRHYSA-N 0 1 380.456 1.383 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCC(C)(F)F ZINC001574155442 950193625 /nfs/dbraw/zinc/19/36/25/950193625.db2.gz LGTHONCOYSBZTK-LLVKDONJSA-N 0 1 382.419 1.457 20 0 GDADMN O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379602838 971647682 /nfs/dbraw/zinc/64/76/82/971647682.db2.gz DSBLJPQDLVPNCO-CQSZACIVSA-N 0 1 378.454 1.441 20 0 GDADMN O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379602838 971647683 /nfs/dbraw/zinc/64/76/83/971647683.db2.gz DSBLJPQDLVPNCO-CQSZACIVSA-N 0 1 378.454 1.441 20 0 GDADMN CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)Nc2c[nH]nc2-c2nn[nH]n2)CO1 ZINC001573850918 950282866 /nfs/dbraw/zinc/28/28/66/950282866.db2.gz OZWLBYQXXSVJBT-VHSXEESVSA-N 0 1 377.405 1.055 20 0 GDADMN CC1(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575592633 950292782 /nfs/dbraw/zinc/29/27/82/950292782.db2.gz IDUPYOPAAVZIRH-LLVKDONJSA-N 0 1 392.414 1.425 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccccc1O ZINC001574158802 950293553 /nfs/dbraw/zinc/29/35/53/950293553.db2.gz SVCURPYHMQLCBT-GFCCVEGCSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574499430 950300907 /nfs/dbraw/zinc/30/09/07/950300907.db2.gz VLIHSAYRISLADU-ZDUSSCGKSA-N 0 1 378.440 1.333 20 0 GDADMN CC(C)(C)OC(=O)N1CCCN(C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573852339 950302580 /nfs/dbraw/zinc/30/25/80/950302580.db2.gz FMZHYXUEZRODSD-INIZCTEOSA-N 0 1 388.472 1.843 20 0 GDADMN C[C@H](CC(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574499452 950305100 /nfs/dbraw/zinc/30/51/00/950305100.db2.gz VRIQGZARWNJWBL-YJYMSZOUSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCCN1C ZINC001574159403 950308655 /nfs/dbraw/zinc/30/86/55/950308655.db2.gz HCCDMUTYELGFDS-UKRRQHHQSA-N 0 1 390.467 1.438 20 0 GDADMN C[C@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCC(C)CC1 ZINC001576193923 950317116 /nfs/dbraw/zinc/31/71/16/950317116.db2.gz WHKYLUOWVHQFGC-GFCCVEGCSA-N 0 1 382.465 1.405 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906881 950320725 /nfs/dbraw/zinc/32/07/25/950320725.db2.gz KILNMOIVEIHTOL-GXFFZTMASA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906881 950320747 /nfs/dbraw/zinc/32/07/47/950320747.db2.gz KILNMOIVEIHTOL-GXFFZTMASA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193944 950322506 /nfs/dbraw/zinc/32/25/06/950322506.db2.gz WSBKSYRHEZJMBN-VXGBXAGGSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576194016 950327613 /nfs/dbraw/zinc/32/76/13/950327613.db2.gz XMIIVPOCVYGAOJ-UKRRQHHQSA-N 0 1 378.440 1.289 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907632 950341165 /nfs/dbraw/zinc/34/11/65/950341165.db2.gz PYWOLALUTUSICE-DOMZBBRYSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907632 950341191 /nfs/dbraw/zinc/34/11/91/950341191.db2.gz PYWOLALUTUSICE-DOMZBBRYSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576194509 950350166 /nfs/dbraw/zinc/35/01/66/950350166.db2.gz ZNFWSZCMLCATHO-VXGBXAGGSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576194509 950350188 /nfs/dbraw/zinc/35/01/88/950350188.db2.gz ZNFWSZCMLCATHO-VXGBXAGGSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576196207 950354924 /nfs/dbraw/zinc/35/49/24/950354924.db2.gz ANRFXBSFEZBRNC-ZBFHGGJFSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576196207 950354940 /nfs/dbraw/zinc/35/49/40/950354940.db2.gz ANRFXBSFEZBRNC-ZBFHGGJFSA-N 0 1 384.488 1.031 20 0 GDADMN CC1CC[NH+](CC(=O)N(C)CCNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001576196948 950377414 /nfs/dbraw/zinc/37/74/14/950377414.db2.gz JXEIRJCQLCZNMR-UHFFFAOYSA-N 0 1 375.452 1.608 20 0 GDADMN CC1(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)CCCO2)CCC1 ZINC001575596562 950378201 /nfs/dbraw/zinc/37/82/01/950378201.db2.gz TVBDOPRIDPPEMG-QGZVFWFLSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N(C)CCNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001576196934 950379030 /nfs/dbraw/zinc/37/90/30/950379030.db2.gz JLXJUAPGBNHMCV-VIFPVBQESA-N 0 1 384.897 1.189 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)CCNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001576196934 950379051 /nfs/dbraw/zinc/37/90/51/950379051.db2.gz JLXJUAPGBNHMCV-VIFPVBQESA-N 0 1 384.897 1.189 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574503051 950401552 /nfs/dbraw/zinc/40/15/52/950401552.db2.gz SPRMTUKXMJKYIO-WMLDXEAASA-N 0 1 380.456 1.405 20 0 GDADMN CC1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)CCOCC1 ZINC001575600061 950436811 /nfs/dbraw/zinc/43/68/11/950436811.db2.gz PJOJFHJOGWHTFL-GFCCVEGCSA-N 0 1 376.486 1.435 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001574165864 950453352 /nfs/dbraw/zinc/45/33/52/950453352.db2.gz KWHPVEDRTMYOTB-CQSZACIVSA-N 0 1 387.488 1.179 20 0 GDADMN CC(C)CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)CCC1 ZINC001574166776 950478058 /nfs/dbraw/zinc/47/80/58/950478058.db2.gz ZDLFOIBTAPBLQN-ZIAGYGMSSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001574167651 950489608 /nfs/dbraw/zinc/48/96/08/950489608.db2.gz GWWWXEGZIJZDJT-ZWKOTPCHSA-N 0 1 383.500 1.706 20 0 GDADMN CC1CCN(CC(=O)N[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C2CC2)CC1 ZINC001576205374 950511087 /nfs/dbraw/zinc/51/10/87/950511087.db2.gz YTLITERQJUWAGC-MRXNPFEDSA-N 0 1 384.488 1.300 20 0 GDADMN CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573868508 950540592 /nfs/dbraw/zinc/54/05/92/950540592.db2.gz CWSOPIKDYSLLII-SGTLLEGYSA-N 0 1 386.460 1.089 20 0 GDADMN CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206131 950557191 /nfs/dbraw/zinc/55/71/91/950557191.db2.gz UZWGAVZXLZJBRQ-CZUORRHYSA-N 0 1 389.479 1.900 20 0 GDADMN CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206131 950557212 /nfs/dbraw/zinc/55/72/12/950557212.db2.gz UZWGAVZXLZJBRQ-CZUORRHYSA-N 0 1 389.479 1.900 20 0 GDADMN C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206343 950570372 /nfs/dbraw/zinc/57/03/72/950570372.db2.gz WVJAHKWGAHXZNU-OLZOCXBDSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206343 950570388 /nfs/dbraw/zinc/57/03/88/950570388.db2.gz WVJAHKWGAHXZNU-OLZOCXBDSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574999483 950583983 /nfs/dbraw/zinc/58/39/83/950583983.db2.gz KOMDHOURYORBMT-ZETCQYMHSA-N 0 1 382.400 1.497 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207035 950587951 /nfs/dbraw/zinc/58/79/51/950587951.db2.gz BPMHZCNNRVMIDO-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207035 950587968 /nfs/dbraw/zinc/58/79/68/950587968.db2.gz BPMHZCNNRVMIDO-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207035 950587976 /nfs/dbraw/zinc/58/79/76/950587976.db2.gz BPMHZCNNRVMIDO-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207035 950587998 /nfs/dbraw/zinc/58/79/98/950587998.db2.gz BPMHZCNNRVMIDO-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575616904 950590045 /nfs/dbraw/zinc/59/00/45/950590045.db2.gz TXLLHPDXCYRKBH-LBPRGKRZSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001573870500 950597169 /nfs/dbraw/zinc/59/71/69/950597169.db2.gz XEDJEMKNRVXFHI-OAHLLOKOSA-N 0 1 385.472 1.552 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@@H](C)n1cccn1 ZINC001574513256 950600429 /nfs/dbraw/zinc/60/04/29/950600429.db2.gz LSJZUAFPCXDVTG-CHWSQXEVSA-N 0 1 386.435 1.448 20 0 GDADMN CC1(C)C(C(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001575620236 950627450 /nfs/dbraw/zinc/62/74/50/950627450.db2.gz UQAHGQUXOYOKLS-NEPJUHHUSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(Cl)cs1 ZINC001575920257 950630969 /nfs/dbraw/zinc/63/09/69/950630969.db2.gz LZJHLZLMYQLYEM-SCZZXKLOSA-N 0 1 390.860 1.509 20 0 GDADMN CC[NH+]1CCN(C(=O)Cc2ccc(NCc3c(C(=O)[O-])cnn3C)cc2)CC1 ZINC001589744070 950638157 /nfs/dbraw/zinc/63/81/57/950638157.db2.gz JLMSNWDLFZUOOC-UHFFFAOYSA-N 0 1 385.468 1.437 20 0 GDADMN C[C@H]1CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[nH]n2)C[C@@H]1O ZINC001576213791 950644379 /nfs/dbraw/zinc/64/43/79/950644379.db2.gz IFFWDAXPUJXMFS-ONGXEEELSA-N 0 1 379.467 1.473 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575002088 950648775 /nfs/dbraw/zinc/64/87/75/950648775.db2.gz YXMPGNSUOCRXRT-QMMMGPOBSA-N 0 1 392.345 1.386 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574518323 950651281 /nfs/dbraw/zinc/65/12/81/950651281.db2.gz NMVUHENRSGPRNJ-YUELXQCFSA-N 0 1 378.440 1.332 20 0 GDADMN CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@H](C(=O)[O-])[C@H](C)C3)cc2)CC1 ZINC001589744558 950659606 /nfs/dbraw/zinc/65/96/06/950659606.db2.gz SEOBRHXQESSZJH-APWZRJJASA-N 0 1 388.512 1.810 20 0 GDADMN CC1(C)CC(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001575624078 950662766 /nfs/dbraw/zinc/66/27/66/950662766.db2.gz FTNAUSWNFFAPTA-ZDUSSCGKSA-N 0 1 390.513 1.681 20 0 GDADMN CC1(C)CC(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001575624078 950662788 /nfs/dbraw/zinc/66/27/88/950662788.db2.gz FTNAUSWNFFAPTA-ZDUSSCGKSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CNC(=O)c1cc2n(n1)CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575005324 950676515 /nfs/dbraw/zinc/67/65/15/950676515.db2.gz AYWMGWLBZHIZLV-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@H](CNC(=O)c1cc2n(n1)CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575005324 950676522 /nfs/dbraw/zinc/67/65/22/950676522.db2.gz AYWMGWLBZHIZLV-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574762215 950704881 /nfs/dbraw/zinc/70/48/81/950704881.db2.gz XJTWOMCMIOYZJD-GFCCVEGCSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575006202 950714675 /nfs/dbraw/zinc/71/46/75/950714675.db2.gz SCXMZEXWZZHTBQ-GFCCVEGCSA-N 0 1 390.407 1.569 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccc1 ZINC001575926751 950721277 /nfs/dbraw/zinc/72/12/77/950721277.db2.gz LKFSUIRNVZKXPH-RHSMWYFYSA-N 0 1 377.452 1.718 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COCC1CCCC1 ZINC001575927337 950742481 /nfs/dbraw/zinc/74/24/81/950742481.db2.gz PGTSFBHDTSBEDC-XJKSGUPXSA-N 0 1 385.472 1.292 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574521010 950762920 /nfs/dbraw/zinc/76/29/20/950762920.db2.gz CGQVWQBXVHVDMC-TUJOMHJISA-N 0 1 376.486 1.194 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574521010 950762938 /nfs/dbraw/zinc/76/29/38/950762938.db2.gz CGQVWQBXVHVDMC-TUJOMHJISA-N 0 1 376.486 1.194 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C)c1 ZINC001575927976 950768020 /nfs/dbraw/zinc/76/80/20/950768020.db2.gz WVLLFKZKWSBYFM-TZMCWYRMSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cnccn1 ZINC001575930162 950793124 /nfs/dbraw/zinc/79/31/24/950793124.db2.gz DTGUVDWTTYVBQP-SFYZADRCSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576221736 950860464 /nfs/dbraw/zinc/86/04/64/950860464.db2.gz WMPMKEUBPABFGZ-RYUDHWBXSA-N 0 1 384.488 1.410 20 0 GDADMN C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCc1cnc[nH]1 ZINC001575934767 950867805 /nfs/dbraw/zinc/86/78/05/950867805.db2.gz TWTFEGUJLSSFCC-HZMBPMFUSA-N 0 1 385.407 1.158 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2ccoc2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639417 950869436 /nfs/dbraw/zinc/86/94/36/950869436.db2.gz BGJJKZDAKQUGJT-CYBMUJFWSA-N 0 1 382.428 1.675 20 0 GDADMN C[C@H]1CN(C(=O)C2(C)CCCCC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576226751 950889493 /nfs/dbraw/zinc/88/94/93/950889493.db2.gz ALKFWXIWOIKIEY-KBPBESRZSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)n1ncnc1CNC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001573893592 950890033 /nfs/dbraw/zinc/89/00/33/950890033.db2.gz MLWNHTCGFZACPO-UHFFFAOYSA-N 0 1 382.841 1.645 20 0 GDADMN CC(C)CCCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001574189906 950902254 /nfs/dbraw/zinc/90/22/54/950902254.db2.gz SVQDZLABZXMVJM-CABCVRRESA-N 0 1 384.488 1.768 20 0 GDADMN CC(C)n1ncnc1CN[C@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529600 950955354 /nfs/dbraw/zinc/95/53/54/950955354.db2.gz RGPWRUILEFOKDR-NEPJUHHUSA-N 0 1 386.464 1.054 20 0 GDADMN CC1(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC(C)(C)C2)CC1 ZINC001575643122 950959407 /nfs/dbraw/zinc/95/94/07/950959407.db2.gz YDQJUUIIBBRYMW-CYBMUJFWSA-N 0 1 384.488 1.958 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575643308 950967211 /nfs/dbraw/zinc/96/72/11/950967211.db2.gz LFJJQGMBDMUNNP-YJYMSZOUSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575021086 951060909 /nfs/dbraw/zinc/06/09/09/951060909.db2.gz ATIXDWTXSMDCBF-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN C[C@H](CNC(=O)c1cccc(F)c1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025809 951134040 /nfs/dbraw/zinc/13/40/40/951134040.db2.gz AZCGRWJQXZTPHH-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c[nH]nc21)CNc1ccncc1-c1nn[nH]n1 ZINC001575027973 951165167 /nfs/dbraw/zinc/16/51/67/951165167.db2.gz KDKXREQUFBCORR-NSHDSACASA-N 0 1 377.412 1.038 20 0 GDADMN C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575034493 951249394 /nfs/dbraw/zinc/24/93/94/951249394.db2.gz BTWUQVXOXGDQAM-NSHDSACASA-N 0 1 379.428 1.184 20 0 GDADMN C[C@@H](CNC(=O)c1ccns1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575034952 951259747 /nfs/dbraw/zinc/25/97/47/951259747.db2.gz RFWCZVBUNCJIED-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001575036530 951297776 /nfs/dbraw/zinc/29/77/76/951297776.db2.gz UJTXOWZQCXRZEJ-GFCCVEGCSA-N 0 1 386.435 1.691 20 0 GDADMN O=C([O-])C1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000389852408 951361160 /nfs/dbraw/zinc/36/11/60/951361160.db2.gz VDCUEZBFSGBGSQ-QGZVFWFLSA-N 0 1 375.469 1.832 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575042938 951375779 /nfs/dbraw/zinc/37/57/79/951375779.db2.gz DMFIJMLCPSNVQI-VXGBXAGGSA-N 0 1 381.444 1.008 20 0 GDADMN C[C@H](CNC(=O)c1cn(C)nc1Cl)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575043364 951390316 /nfs/dbraw/zinc/39/03/16/951390316.db2.gz RGCDGRASZLIVIS-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(Cl)n1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575045123 951426131 /nfs/dbraw/zinc/42/61/31/951426131.db2.gz ZNAQARVEMNNZQC-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575055529 951508454 /nfs/dbraw/zinc/50/84/54/951508454.db2.gz WKQVXHLJONYJQT-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575055529 951508458 /nfs/dbraw/zinc/50/84/58/951508458.db2.gz WKQVXHLJONYJQT-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN C[C@H](CNC(=O)c1n[nH]c2c1CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575060697 951545210 /nfs/dbraw/zinc/54/52/10/951545210.db2.gz DIGLMRVIKREAFX-SNVBAGLBSA-N 0 1 384.419 1.126 20 0 GDADMN C[C@@H](CNC(=O)c1csc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575060952 951551875 /nfs/dbraw/zinc/55/18/75/951551875.db2.gz KIKMXWGEALAJNA-JTQLQIEISA-N 0 1 384.469 1.249 20 0 GDADMN C[C@H](CNC(=O)c1ncoc1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575067357 951608568 /nfs/dbraw/zinc/60/85/68/951608568.db2.gz RMQIAXUWEFUDSQ-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001575090132 951756885 /nfs/dbraw/zinc/75/68/85/951756885.db2.gz JPJJLVBRSHUKSK-VAGZCVSGSA-N 0 1 388.497 1.195 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001575090132 951756894 /nfs/dbraw/zinc/75/68/94/951756894.db2.gz JPJJLVBRSHUKSK-VAGZCVSGSA-N 0 1 388.497 1.195 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575090952 951764817 /nfs/dbraw/zinc/76/48/17/951764817.db2.gz ONLJZTXLNSKOIH-ZIAGYGMSSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CC(F)(F)C1 ZINC001575091233 951772469 /nfs/dbraw/zinc/77/24/69/951772469.db2.gz QGSWZYLFFZAPJP-JTQLQIEISA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098738 951826564 /nfs/dbraw/zinc/82/65/64/951826564.db2.gz FTIWZQNZAQCSOG-STQMWFEESA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098738 951826574 /nfs/dbraw/zinc/82/65/74/951826574.db2.gz FTIWZQNZAQCSOG-STQMWFEESA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)Cc1cncs1 ZINC001575101644 951862039 /nfs/dbraw/zinc/86/20/39/951862039.db2.gz HSPBBNNNQNRJPX-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)Cc1cncs1 ZINC001575101644 951862047 /nfs/dbraw/zinc/86/20/47/951862047.db2.gz HSPBBNNNQNRJPX-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN C[C@@H](CNCc1nnc(C2CC2)s1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117807 951981281 /nfs/dbraw/zinc/98/12/81/951981281.db2.gz PWWRWJRQDICSNP-VIFPVBQESA-N 0 1 387.473 1.079 20 0 GDADMN CC(C)c1nnc(CNC[C@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC001575119659 951991057 /nfs/dbraw/zinc/99/10/57/951991057.db2.gz ZYRGTQIAOFMFIV-JTQLQIEISA-N 0 1 389.489 1.325 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1=CCCCCC1)C1CC1 ZINC001575132705 952096504 /nfs/dbraw/zinc/09/65/04/952096504.db2.gz AGAHODFEFJGGPS-LJQANCHMSA-N 0 1 382.472 1.666 20 0 GDADMN CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000382277151 971806436 /nfs/dbraw/zinc/80/64/36/971806436.db2.gz FLRUNDPQGXJVAE-MRXNPFEDSA-N 0 1 375.450 1.675 20 0 GDADMN CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000382277151 971806440 /nfs/dbraw/zinc/80/64/40/971806440.db2.gz FLRUNDPQGXJVAE-MRXNPFEDSA-N 0 1 375.450 1.675 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575142812 952149136 /nfs/dbraw/zinc/14/91/36/952149136.db2.gz MDEABXDMYPPNBF-NSHDSACASA-N 0 1 386.847 1.234 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(C2CCCCC2)CC1 ZINC001575143955 952159311 /nfs/dbraw/zinc/15/93/11/952159311.db2.gz SQRGAPIHAFUXKI-CYBMUJFWSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2occc2s1 ZINC001575144802 952171955 /nfs/dbraw/zinc/17/19/55/952171955.db2.gz LUAGUWYFGFYNEF-VIFPVBQESA-N 0 1 384.425 1.459 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(Cl)cc1F ZINC001575145011 952177005 /nfs/dbraw/zinc/17/70/05/952177005.db2.gz ODAVDIUQFUFHQD-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(Cl)cc1F ZINC001575145012 952177159 /nfs/dbraw/zinc/17/71/59/952177159.db2.gz ODAVDIUQFUFHQD-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575146199 952191103 /nfs/dbraw/zinc/19/11/03/952191103.db2.gz HVELGZLJLOUVSP-LBPRGKRZSA-N 0 1 380.456 1.463 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575147935 952201959 /nfs/dbraw/zinc/20/19/59/952201959.db2.gz XBCNHHGEARHRTF-GFCCVEGCSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc2c(c1)CCN2C ZINC001575148246 952203839 /nfs/dbraw/zinc/20/38/39/952203839.db2.gz ZBNHEXSZIXARKG-CYBMUJFWSA-N 0 1 392.467 1.249 20 0 GDADMN C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575158467 952271867 /nfs/dbraw/zinc/27/18/67/952271867.db2.gz VQWLABILGDQBOO-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575158467 952271874 /nfs/dbraw/zinc/27/18/74/952271874.db2.gz VQWLABILGDQBOO-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cccnn1 ZINC001575165577 952309960 /nfs/dbraw/zinc/30/99/60/952309960.db2.gz POMXMUKGBDZRQI-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575177131 952397853 /nfs/dbraw/zinc/39/78/53/952397853.db2.gz GSSQZLDRILLGPH-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575177131 952397860 /nfs/dbraw/zinc/39/78/60/952397860.db2.gz GSSQZLDRILLGPH-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](COc1ccccc1F)NS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001575179148 952410101 /nfs/dbraw/zinc/41/01/01/952410101.db2.gz TUCHGBQBWVOQKI-VIFPVBQESA-N 0 1 383.430 1.813 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575191162 952465937 /nfs/dbraw/zinc/46/59/37/952465937.db2.gz XMBJSLRWBSRVDR-CHWSQXEVSA-N 0 1 382.428 1.166 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575196880 952478095 /nfs/dbraw/zinc/47/80/95/952478095.db2.gz KPNJWOFFKWBWOA-CQSZACIVSA-N 0 1 380.452 1.887 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001575197323 952482784 /nfs/dbraw/zinc/48/27/84/952482784.db2.gz UBNSBQFPGHSHPL-PXAZEXFGSA-N 0 1 381.440 1.462 20 0 GDADMN C[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571117716 952484591 /nfs/dbraw/zinc/48/45/91/952484591.db2.gz OSTNIJMVCIFLFP-KOLCDFICSA-N 0 1 375.483 1.635 20 0 GDADMN C[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571117716 952484593 /nfs/dbraw/zinc/48/45/93/952484593.db2.gz OSTNIJMVCIFLFP-KOLCDFICSA-N 0 1 375.483 1.635 20 0 GDADMN Cc1ccc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571119603 952493468 /nfs/dbraw/zinc/49/34/68/952493468.db2.gz DIKIQFGWOFFNLC-KBPBESRZSA-N 0 1 376.424 1.377 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575200235 952493809 /nfs/dbraw/zinc/49/38/09/952493809.db2.gz AYZDJTOBFKQPGW-TZMCWYRMSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001575200374 952495427 /nfs/dbraw/zinc/49/54/27/952495427.db2.gz IXVRURJUBHAGCT-RWMBFGLXSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cccnc1 ZINC001571120091 952498415 /nfs/dbraw/zinc/49/84/15/952498415.db2.gz JGUOQKBXKVJMMQ-LCSDZXHASA-N 0 1 376.424 1.011 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120658 952507745 /nfs/dbraw/zinc/50/77/45/952507745.db2.gz OWXSTORCZCCGAZ-LDYMZIIASA-N 0 1 376.421 1.183 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120658 952507747 /nfs/dbraw/zinc/50/77/47/952507747.db2.gz OWXSTORCZCCGAZ-LDYMZIIASA-N 0 1 376.421 1.183 20 0 GDADMN CC(C)[C@@H](F)C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571121666 952520465 /nfs/dbraw/zinc/52/04/65/952520465.db2.gz BJMUHCLJFZBEKK-TZMCWYRMSA-N 0 1 376.440 1.113 20 0 GDADMN CC(C)[C@H](F)C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571121664 952520793 /nfs/dbraw/zinc/52/07/93/952520793.db2.gz BJMUHCLJFZBEKK-JSGCOSHPSA-N 0 1 376.440 1.113 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123841 952531592 /nfs/dbraw/zinc/53/15/92/952531592.db2.gz WQVPZNABGLRGJV-MRVWCRGKSA-N 0 1 376.486 1.528 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123841 952531598 /nfs/dbraw/zinc/53/15/98/952531598.db2.gz WQVPZNABGLRGJV-MRVWCRGKSA-N 0 1 376.486 1.528 20 0 GDADMN Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)c4cccn4C)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134374 952589423 /nfs/dbraw/zinc/58/94/23/952589423.db2.gz FAVQDHQIPZEBGW-XMQYKBBCSA-N 0 1 378.440 1.021 20 0 GDADMN Cc1cc(N2CCC(N(C)C(=O)c3ccccn3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134748 952594812 /nfs/dbraw/zinc/59/48/12/952594812.db2.gz KYAHEKPCICKOBF-UHFFFAOYSA-N 0 1 378.440 1.706 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)c3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135522 952604967 /nfs/dbraw/zinc/60/49/67/952604967.db2.gz WEANAVQOHGBDOH-DZGCQCFKSA-N 0 1 378.440 1.464 20 0 GDADMN O=C(NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cc1C1CC1 ZINC001571146318 952648736 /nfs/dbraw/zinc/64/87/36/952648736.db2.gz FYBBOFNJJWYZBT-NSHDSACASA-N 0 1 379.428 1.119 20 0 GDADMN Cc1nccc(C(=O)NC2(C)CCN(c3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001571146636 952651412 /nfs/dbraw/zinc/65/14/12/952651412.db2.gz KMAYSFIQZCORPJ-UHFFFAOYSA-N 0 1 379.428 1.149 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571147156 952657553 /nfs/dbraw/zinc/65/75/53/952657553.db2.gz HUNOLIYGRYQRRF-KBPBESRZSA-N 0 1 379.428 1.177 20 0 GDADMN Cc1nc[nH]c1C(=O)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571153360 952686033 /nfs/dbraw/zinc/68/60/33/952686033.db2.gz PQHITTDPWCGPSI-SSDOTTSWSA-N 0 1 379.837 1.335 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ncn1 ZINC001571156670 952703350 /nfs/dbraw/zinc/70/33/50/952703350.db2.gz GRWSZFOVWYOKBF-ZDUSSCGKSA-N 0 1 379.428 1.067 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)c3ncoc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158650 952713480 /nfs/dbraw/zinc/71/34/80/952713480.db2.gz LNNCLGALSIGPQZ-TXEJJXNPSA-N 0 1 380.412 1.230 20 0 GDADMN O=C(c1ccoc1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571161217 952730481 /nfs/dbraw/zinc/73/04/81/952730481.db2.gz RJZDRARSPFQBBV-GXTWGEPZSA-N 0 1 380.412 1.381 20 0 GDADMN Oc1ccc(CN2CCN(C[C@@H](O)c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC001571165851 952756262 /nfs/dbraw/zinc/75/62/62/952756262.db2.gz HPQVPTUIVHOCBM-LJQANCHMSA-N 0 1 380.452 1.424 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571167084 952770101 /nfs/dbraw/zinc/77/01/01/952770101.db2.gz VDGMCHPMYVLPOF-GUYCJALGSA-N 0 1 380.456 1.375 20 0 GDADMN CCN(C(=O)c1n[nH]cc1C)[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571167231 952771407 /nfs/dbraw/zinc/77/14/07/952771407.db2.gz ZHIKCIFMLGQYCM-MRXNPFEDSA-N 0 1 380.456 1.635 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n(C)n1 ZINC001571169400 952773581 /nfs/dbraw/zinc/77/35/81/952773581.db2.gz BLWFVXIRSMSXQP-INIZCTEOSA-N 0 1 380.456 1.303 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571169418 952773695 /nfs/dbraw/zinc/77/36/95/952773695.db2.gz BZLGFLDKAYETTP-ZIAGYGMSSA-N 0 1 380.456 1.293 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)c(C)[nH]1 ZINC001571169489 952774764 /nfs/dbraw/zinc/77/47/64/952774764.db2.gz DWQLOEOFORCEEO-CQSZACIVSA-N 0 1 380.456 1.654 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571170489 952786181 /nfs/dbraw/zinc/78/61/81/952786181.db2.gz VIJKHVDOTGRJTM-ZIAGYGMSSA-N 0 1 380.456 1.994 20 0 GDADMN Cc1[nH]ccc1C(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571170904 952790996 /nfs/dbraw/zinc/79/09/96/952790996.db2.gz ZEINPGKICQFHPE-AWEZNQCLSA-N 0 1 380.456 1.853 20 0 GDADMN Cc1cc(N2CC[C@H](CNC(=O)c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571178890 952849362 /nfs/dbraw/zinc/84/93/62/952849362.db2.gz XCACBXBYNBPCSN-CYBMUJFWSA-N 0 1 381.415 1.966 20 0 GDADMN Cc1cc(N[C@@H](C)[C@H]2CCN(C(=O)Cc3ccco3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179411 952852867 /nfs/dbraw/zinc/85/28/67/952852867.db2.gz DIFKRXJDNXHDKL-KBPBESRZSA-N 0 1 381.440 1.477 20 0 GDADMN Cc1cccc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571179544 952853672 /nfs/dbraw/zinc/85/36/72/952853672.db2.gz FPDPKTWLMOYYBJ-CSMYWGQOSA-N 0 1 381.440 1.039 20 0 GDADMN COC[C@H](C)N1Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2C1 ZINC001571183291 952876919 /nfs/dbraw/zinc/87/69/19/952876919.db2.gz VZQFLICAEORPEB-LBPRGKRZSA-N 0 1 381.440 1.475 20 0 GDADMN CCc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571183590 952880257 /nfs/dbraw/zinc/88/02/57/952880257.db2.gz FJQOWFXNQGKLPP-YPMHNXCESA-N 0 1 381.444 1.367 20 0 GDADMN C[C@@H](Nc1ncccc1-c1nn[nH]n1)C1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001571184452 952892917 /nfs/dbraw/zinc/89/29/17/952892917.db2.gz ZOPMMDZACSHPHA-GFCCVEGCSA-N 0 1 381.444 1.267 20 0 GDADMN CCn1ccc(C(=O)N(C)C2CCN(c3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001571185764 952903304 /nfs/dbraw/zinc/90/33/04/952903304.db2.gz PICKDHLHWOZXRT-UHFFFAOYSA-N 0 1 381.444 1.219 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)Nc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571188891 952921565 /nfs/dbraw/zinc/92/15/65/952921565.db2.gz PBSGWJYGGSOKEP-GXTWGEPZSA-N 0 1 381.444 1.646 20 0 GDADMN CC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571190829 952944780 /nfs/dbraw/zinc/94/47/80/952944780.db2.gz MWMDAUVNCFKFFT-LVQVYYBASA-N 0 1 381.484 1.901 20 0 GDADMN O=C(Cc1ccccc1F)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571199723 953004656 /nfs/dbraw/zinc/00/46/56/953004656.db2.gz ADGCGUROBAXKJT-UHFFFAOYSA-N 0 1 382.403 1.077 20 0 GDADMN CCCc1cc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)no1 ZINC001571200831 953013135 /nfs/dbraw/zinc/01/31/35/953013135.db2.gz MGHCYTFTHWJVGC-RYUDHWBXSA-N 0 1 382.428 1.339 20 0 GDADMN Cc1cnoc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571202402 953024343 /nfs/dbraw/zinc/02/43/43/953024343.db2.gz ULTKVMFPBVOYHR-OLZOCXBDSA-N 0 1 382.428 1.654 20 0 GDADMN O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001571202437 953025380 /nfs/dbraw/zinc/02/53/80/953025380.db2.gz WXRFURBQUZCJJW-NEPJUHHUSA-N 0 1 382.403 1.371 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC001571205751 953041379 /nfs/dbraw/zinc/04/13/79/953041379.db2.gz LJOSPQJOACQPAK-CYBMUJFWSA-N 0 1 382.428 1.455 20 0 GDADMN Cc1occc1C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571207345 953061975 /nfs/dbraw/zinc/06/19/75/953061975.db2.gz YDTUPOATKBLBIT-LLVKDONJSA-N 0 1 382.428 1.593 20 0 GDADMN CN(C(=O)C1(C2CCC2)CCC1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571212209 953086319 /nfs/dbraw/zinc/08/63/19/953086319.db2.gz IZFNARYMHADJOW-CQSZACIVSA-N 0 1 382.472 1.664 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212499 953089218 /nfs/dbraw/zinc/08/92/18/953089218.db2.gz MORXWNPABFAEQJ-CHWSQXEVSA-N 0 1 382.472 1.165 20 0 GDADMN CC[C@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571213677 953096631 /nfs/dbraw/zinc/09/66/31/953096631.db2.gz TXDIXKFVRDACKZ-JSGCOSHPSA-N 0 1 382.472 1.308 20 0 GDADMN O=C(N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1(C2CCC2)CCC1 ZINC001571217697 953110059 /nfs/dbraw/zinc/11/00/59/953110059.db2.gz IOWVAEVDPOEADT-ZDUSSCGKSA-N 0 1 382.472 1.309 20 0 GDADMN O=C(c1cc(F)c[nH]1)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571218928 953120658 /nfs/dbraw/zinc/12/06/58/953120658.db2.gz HJSGQIXMGNDZEK-OLZOCXBDSA-N 0 1 383.391 1.007 20 0 GDADMN O=C(NC[C@H]1CCN1CCCc1cccc(F)c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571229843 953173118 /nfs/dbraw/zinc/17/31/18/953173118.db2.gz PDEIFTJPUSASRB-MRXNPFEDSA-N 0 1 383.431 1.771 20 0 GDADMN Cc1cc(N2CCC(NC(=O)[C@H]3C[C@@]34CCOC4)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232878 953189313 /nfs/dbraw/zinc/18/93/13/953189313.db2.gz LQDCGHCPBQIMHO-DNVCBOLYSA-N 0 1 383.456 1.082 20 0 GDADMN Cc1cc(NC2(C)CCN(C(=O)C3=COCCC3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232936 953189843 /nfs/dbraw/zinc/18/98/43/953189843.db2.gz MLOLZAHOWCIBOV-UHFFFAOYSA-N 0 1 383.456 1.479 20 0 GDADMN CC[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571235002 953207696 /nfs/dbraw/zinc/20/76/96/953207696.db2.gz PKLJSWDCYPEFOZ-NXEZZACHSA-N 0 1 384.366 1.070 20 0 GDADMN CCc1cc(C(=O)N2CCCN(c3cccc(F)c3-c3nn[nH]n3)CC2)n[nH]1 ZINC001571239935 953244449 /nfs/dbraw/zinc/24/44/49/953244449.db2.gz VBRBYUGAQOSFAC-UHFFFAOYSA-N 0 1 384.419 1.644 20 0 GDADMN CCc1ccsc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571244687 953265602 /nfs/dbraw/zinc/26/56/02/953265602.db2.gz DWOSJESKEUBDNV-GFCCVEGCSA-N 0 1 384.469 1.679 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cnsn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571245913 953278732 /nfs/dbraw/zinc/27/87/32/953278732.db2.gz OLAVLLIPJFUFCX-SMDDNHRTSA-N 0 1 384.469 1.501 20 0 GDADMN Cc1scc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571248136 953289937 /nfs/dbraw/zinc/28/99/37/953289937.db2.gz MFRLXKLJPQIABK-LBPRGKRZSA-N 0 1 384.469 1.734 20 0 GDADMN C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC001571248194 953290444 /nfs/dbraw/zinc/29/04/44/953290444.db2.gz 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/nfs/dbraw/zinc/98/65/18/598986518.db2.gz YZYJVXGFAGYCFB-UHFFFAOYSA-N 0 1 396.455 1.621 20 0 GDADMN C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736768032 599006081 /nfs/dbraw/zinc/00/60/81/599006081.db2.gz WAIVIHMDKLDXNF-UHFFFAOYSA-N 0 1 387.394 1.744 20 0 GDADMN C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736768032 599006083 /nfs/dbraw/zinc/00/60/83/599006083.db2.gz WAIVIHMDKLDXNF-UHFFFAOYSA-N 0 1 387.394 1.744 20 0 GDADMN NC(=O)[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737739190 599012275 /nfs/dbraw/zinc/01/22/75/599012275.db2.gz JDWYIUAEERZYEP-ZDUSSCGKSA-N 0 1 378.421 1.971 20 0 GDADMN Cc1nc(SCC(=O)N(C)[C@H]2CCCN(C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737483304 599092362 /nfs/dbraw/zinc/09/23/62/599092362.db2.gz NAODYQNRRLIICW-AWEZNQCLSA-N 0 1 389.529 1.832 20 0 GDADMN COCCOC1CCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000737006564 599204778 /nfs/dbraw/zinc/20/47/78/599204778.db2.gz RSIRZMHYJRLGKJ-UHFFFAOYSA-N 0 1 383.456 1.815 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000737201746 599227515 /nfs/dbraw/zinc/22/75/15/599227515.db2.gz VKBSLZYKESQJQG-IUODEOHRSA-N 0 1 399.499 1.602 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000737201746 599227517 /nfs/dbraw/zinc/22/75/17/599227517.db2.gz VKBSLZYKESQJQG-IUODEOHRSA-N 0 1 399.499 1.602 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000737201746 599227520 /nfs/dbraw/zinc/22/75/20/599227520.db2.gz VKBSLZYKESQJQG-IUODEOHRSA-N 0 1 399.499 1.602 20 0 GDADMN COc1ccc(C[C@]2(C)NC(=O)N(C[NH+]3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000738090574 596982919 /nfs/dbraw/zinc/98/29/19/596982919.db2.gz QWLSRXZWSOMLRV-IBGZPJMESA-N 0 1 375.425 1.302 20 0 GDADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000533203143 597074187 /nfs/dbraw/zinc/07/41/87/597074187.db2.gz NBPNUJZQPRKONK-CVEARBPZSA-N 0 1 375.469 1.933 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000532881868 597077428 /nfs/dbraw/zinc/07/74/28/597077428.db2.gz UUBYKLBRFFCSON-HZPDHXFCSA-N 0 1 375.469 1.616 20 0 GDADMN O=C([O-])C[C@H]1CCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000819375741 597082516 /nfs/dbraw/zinc/08/25/16/597082516.db2.gz XAKNGRPOUMQVMT-LLVKDONJSA-N 0 1 378.820 1.441 20 0 GDADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 ZINC000819375741 597082520 /nfs/dbraw/zinc/08/25/20/597082520.db2.gz XAKNGRPOUMQVMT-LLVKDONJSA-N 0 1 378.820 1.441 20 0 GDADMN CC[C@@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CCN1CCOC ZINC000736406706 599240986 /nfs/dbraw/zinc/24/09/86/599240986.db2.gz BCODGEDPLQKLBT-CQSZACIVSA-N 0 1 389.460 1.450 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737943843 597190305 /nfs/dbraw/zinc/19/03/05/597190305.db2.gz FTJAQEKZKTUFGB-MRXNPFEDSA-N 0 1 376.457 1.378 20 0 GDADMN O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000821539595 597344828 /nfs/dbraw/zinc/34/48/28/597344828.db2.gz LJBGIMXAPJFQPM-QAPCUYQASA-N 0 1 385.464 1.728 20 0 GDADMN CCCc1nnc([C@@H]2CN(Cc3cn4ccccc4c3-c3nn[nH]n3)CCO2)[nH]1 ZINC000736495110 599291487 /nfs/dbraw/zinc/29/14/87/599291487.db2.gz IIHPDAQQPRZRRK-HNNXBMFYSA-N 0 1 393.455 1.764 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1-c1nn[nH]n1 ZINC000821978344 607324921 /nfs/dbraw/zinc/32/49/21/607324921.db2.gz LUESGEKVMBUITA-GWCFXTLKSA-N 0 1 392.485 1.750 20 0 GDADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000821531363 598064344 /nfs/dbraw/zinc/06/43/44/598064344.db2.gz LKPBDZQIMDLSQN-LBPRGKRZSA-N 0 1 382.800 1.158 20 0 GDADMN COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCCCCC(=O)[O-] ZINC000820815024 598169246 /nfs/dbraw/zinc/16/92/46/598169246.db2.gz UAGWVTRQIUJZBG-UHFFFAOYSA-N 0 1 392.456 1.459 20 0 GDADMN Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])cn1 ZINC000821197061 598173741 /nfs/dbraw/zinc/17/37/41/598173741.db2.gz WGWBJLLUXVRVRQ-UHFFFAOYSA-N 0 1 379.376 1.529 20 0 GDADMN O[C@@H](Cc1ccccc1)CN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738385938 598256760 /nfs/dbraw/zinc/25/67/60/598256760.db2.gz JKILZXAWNKTQFE-KRWDZBQOSA-N 0 1 382.443 1.731 20 0 GDADMN O[C@H](COCc1ccco1)CN1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738388329 598274129 /nfs/dbraw/zinc/27/41/29/598274129.db2.gz SFNCKWFZRPNNQI-HNNXBMFYSA-N 0 1 384.440 1.159 20 0 GDADMN COc1ccc(C(C)(C)C[NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)cc1 ZINC000737072519 598286172 /nfs/dbraw/zinc/28/61/72/598286172.db2.gz LQLVGLKKGHNPHA-UHFFFAOYSA-N 0 1 378.440 1.985 20 0 GDADMN COc1ccc(C(C)(C)C[NH2+]Cc2cnc3c(-c4nn[n-]n4)cnn3c2)cc1 ZINC000737072519 598286174 /nfs/dbraw/zinc/28/61/74/598286174.db2.gz LQLVGLKKGHNPHA-UHFFFAOYSA-N 0 1 378.440 1.985 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000737547510 598288440 /nfs/dbraw/zinc/28/84/40/598288440.db2.gz KEAYPCYBYKKYTA-UHFFFAOYSA-N 0 1 383.456 1.973 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000737547510 598288442 /nfs/dbraw/zinc/28/84/42/598288442.db2.gz KEAYPCYBYKKYTA-UHFFFAOYSA-N 0 1 383.456 1.973 20 0 GDADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000471945770 598313836 /nfs/dbraw/zinc/31/38/36/598313836.db2.gz YYCZXOWTSFOLOV-NSHDSACASA-N 0 1 390.407 1.178 20 0 GDADMN COCCOc1ccc(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cn1 ZINC000737014018 598333122 /nfs/dbraw/zinc/33/31/22/598333122.db2.gz DTSMZWSGUZPVMA-UHFFFAOYSA-N 0 1 376.398 1.088 20 0 GDADMN CC[C@H]1CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000736403375 598334245 /nfs/dbraw/zinc/33/42/45/598334245.db2.gz UXGXZERAFMVJQL-AWEZNQCLSA-N 0 1 383.456 1.710 20 0 GDADMN CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000736412586 598345286 /nfs/dbraw/zinc/34/52/86/598345286.db2.gz WCGNFCQFMMUMFQ-RHSMWYFYSA-N 0 1 387.488 1.236 20 0 GDADMN c1ccc(N2CC[NH+](CCCCNc3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000738435357 598346143 /nfs/dbraw/zinc/34/61/43/598346143.db2.gz LVCHGYHYRRXZRA-UHFFFAOYSA-N 0 1 379.472 1.671 20 0 GDADMN c1ccc(N2CC[NH+](CCCCNc3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000738435357 598346145 /nfs/dbraw/zinc/34/61/45/598346145.db2.gz LVCHGYHYRRXZRA-UHFFFAOYSA-N 0 1 379.472 1.671 20 0 GDADMN c1cc(-c2nn[nH]n2)ccc1CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000738413413 598432154 /nfs/dbraw/zinc/43/21/54/598432154.db2.gz VFORUMCZDZWJFF-UHFFFAOYSA-N 0 1 392.463 1.956 20 0 GDADMN C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736253863 598469796 /nfs/dbraw/zinc/46/97/96/598469796.db2.gz WMRBBLHHXLNSIU-RYUDHWBXSA-N 0 1 382.465 1.547 20 0 GDADMN O=C(NCCCCN1CCOCC1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738055164 598478782 /nfs/dbraw/zinc/47/87/82/598478782.db2.gz SELLXSNJORFMPX-UHFFFAOYSA-N 0 1 399.499 1.653 20 0 GDADMN c1csc([C@@H](NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)n1 ZINC000738425001 598528796 /nfs/dbraw/zinc/52/87/96/598528796.db2.gz JJHGUUHBRHDUIV-DOMZBBRYSA-N 0 1 393.480 1.941 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCCNc2ccccc2)cc1-c1nn[nH]n1 ZINC000737186541 598612130 /nfs/dbraw/zinc/61/21/30/598612130.db2.gz JEHOWTLSMLNVKW-UHFFFAOYSA-N 0 1 385.453 1.921 20 0 GDADMN COc1cccc(N2CC[C@@H]([NH2+]Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C2)c1 ZINC000737138973 598617754 /nfs/dbraw/zinc/61/77/54/598617754.db2.gz JEMFYGJWOHLZGZ-CQSZACIVSA-N 0 1 391.439 1.287 20 0 GDADMN COc1cccc(N2CC[C@@H]([NH2+]Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C2)c1 ZINC000737138973 598617755 /nfs/dbraw/zinc/61/77/55/598617755.db2.gz JEMFYGJWOHLZGZ-CQSZACIVSA-N 0 1 391.439 1.287 20 0 GDADMN Clc1cccc(-c2nn[nH]n2)c1NCCCN1CCN(c2ncccn2)CC1 ZINC000737575204 598632368 /nfs/dbraw/zinc/63/23/68/598632368.db2.gz NHIATVKEIZKHIG-UHFFFAOYSA-N 0 1 399.890 1.934 20 0 GDADMN COc1cc(NC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c(OC)cc1Cl ZINC000737053671 598675551 /nfs/dbraw/zinc/67/55/51/598675551.db2.gz KAFUGWPTNNKYJK-UHFFFAOYSA-N 0 1 390.787 1.338 20 0 GDADMN CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(F)cc1-c1nn[nH]n1 ZINC000737173042 598704655 /nfs/dbraw/zinc/70/46/55/598704655.db2.gz FDYXAHFKNBSKSU-UHFFFAOYSA-N 0 1 391.384 1.734 20 0 GDADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NCCCc1ccccc1 ZINC000737981966 598719746 /nfs/dbraw/zinc/71/97/46/598719746.db2.gz LFFYGGRPKXFQHM-UHFFFAOYSA-N 0 1 388.431 1.931 20 0 GDADMN Cc1cc(NC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)n(C)n1 ZINC000737275096 598721388 /nfs/dbraw/zinc/72/13/88/598721388.db2.gz QAMPGPIEWUQJFE-UHFFFAOYSA-N 0 1 398.814 1.516 20 0 GDADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2C)cs1 ZINC000821667989 599302012 /nfs/dbraw/zinc/30/20/12/599302012.db2.gz JZVNPDVLMFFLJG-UHFFFAOYSA-N 0 1 379.423 1.824 20 0 GDADMN O=S(=O)(NCCOc1ccc(-c2nn[nH]n2)cc1)c1c(F)cc(F)cc1F ZINC000823577885 599357289 /nfs/dbraw/zinc/35/72/89/599357289.db2.gz CEWLHSWHLMJBIX-UHFFFAOYSA-N 0 1 399.354 1.641 20 0 GDADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820759615 599406812 /nfs/dbraw/zinc/40/68/12/599406812.db2.gz MGOOXMCKVHCNPO-KFWWJZLASA-N 0 1 387.488 1.726 20 0 GDADMN COCCN1CCN(c2c(-c3nn[nH]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000821691167 599467544 /nfs/dbraw/zinc/46/75/44/599467544.db2.gz LQYHFGKURYRCQW-UHFFFAOYSA-N 0 1 375.383 1.462 20 0 GDADMN C[C@@H]1CCCCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736266054 599580404 /nfs/dbraw/zinc/58/04/04/599580404.db2.gz FDDRECLELIVTPI-YJYMSZOUSA-N 0 1 383.456 1.856 20 0 GDADMN CCc1cc(CNC(=O)N2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC000736676079 599603083 /nfs/dbraw/zinc/60/30/83/599603083.db2.gz PUSOIWQUWVIGAW-UHFFFAOYSA-N 0 1 396.455 1.905 20 0 GDADMN Cc1oc(NC(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(-c2nn[n-]n2)c1C ZINC000822549213 599691281 /nfs/dbraw/zinc/69/12/81/599691281.db2.gz WBIPNQWSOOLKIW-CABCVRRESA-N 0 1 387.488 1.962 20 0 GDADMN Cc1oc(NC(=O)CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(-c2nn[n-]n2)c1C ZINC000822549213 599691282 /nfs/dbraw/zinc/69/12/82/599691282.db2.gz WBIPNQWSOOLKIW-CABCVRRESA-N 0 1 387.488 1.962 20 0 GDADMN Cc1nnc(SCC(=O)NCCSCc2ccccc2-c2nn[nH]n2)[nH]1 ZINC000822418947 599695977 /nfs/dbraw/zinc/69/59/77/599695977.db2.gz KBBFJNJJBRTWIJ-UHFFFAOYSA-N 0 1 390.498 1.435 20 0 GDADMN C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736809509 599722300 /nfs/dbraw/zinc/72/23/00/599722300.db2.gz LNYRPKUZZCZWHS-TXEJJXNPSA-N 0 1 396.419 1.470 20 0 GDADMN CC(C)(NC(=O)[O-])C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000736328161 599735586 /nfs/dbraw/zinc/73/55/86/599735586.db2.gz MKMMFYDDGFMBJP-UHFFFAOYSA-N 0 1 376.501 1.747 20 0 GDADMN O=C([O-])CSCCC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000739850631 599756271 /nfs/dbraw/zinc/75/62/71/599756271.db2.gz XGBOTLUAKIWWIL-UHFFFAOYSA-N 0 1 392.481 1.584 20 0 GDADMN COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1OC ZINC000737871745 599775275 /nfs/dbraw/zinc/77/52/75/599775275.db2.gz MXQLWVXBXRQTDD-VVEJJEBESA-N 0 1 398.481 1.563 20 0 GDADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000737349096 599795452 /nfs/dbraw/zinc/79/54/52/599795452.db2.gz WHJPERXRNXPGFC-KRWDZBQOSA-N 0 1 390.484 1.169 20 0 GDADMN 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CCCc1nc([C@@H]2CN(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000821142358 606701664 /nfs/dbraw/zinc/70/16/64/606701664.db2.gz HHKJMNBHHFGKFG-AWEZNQCLSA-N 0 1 397.443 1.220 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000821142358 606701665 /nfs/dbraw/zinc/70/16/65/606701665.db2.gz HHKJMNBHHFGKFG-AWEZNQCLSA-N 0 1 397.443 1.220 20 0 GDADMN CC(C)[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820038063 606705032 /nfs/dbraw/zinc/70/50/32/606705032.db2.gz JVLDBFLSDBZBSZ-AUUYWEPGSA-N 0 1 383.456 1.569 20 0 GDADMN Cc1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205976 606727937 /nfs/dbraw/zinc/72/79/37/606727937.db2.gz PIDUDINBVHCXTK-HOTGVXAUSA-N 0 1 390.451 1.495 20 0 GDADMN Cc1oc(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000822542249 606750705 /nfs/dbraw/zinc/75/07/05/606750705.db2.gz WLDNBGBWPRCBTH-CYBMUJFWSA-N 0 1 396.455 1.621 20 0 GDADMN Cc1cc(CC(=O)OCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000822200089 606760381 /nfs/dbraw/zinc/76/03/81/606760381.db2.gz UBBOQMIMOQLKTO-UHFFFAOYSA-N 0 1 375.776 1.276 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1cccc2cccnc21 ZINC000820804171 606780707 /nfs/dbraw/zinc/78/07/07/606780707.db2.gz NLKCMROILFYWOU-CQSZACIVSA-N 0 1 387.451 1.916 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1cccc2cccnc21 ZINC000820804171 606780709 /nfs/dbraw/zinc/78/07/09/606780709.db2.gz NLKCMROILFYWOU-CQSZACIVSA-N 0 1 387.451 1.916 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1cccc2cccnc21 ZINC000820804171 606780711 /nfs/dbraw/zinc/78/07/11/606780711.db2.gz NLKCMROILFYWOU-CQSZACIVSA-N 0 1 387.451 1.916 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1cccc2cccnc21 ZINC000820804171 606780712 /nfs/dbraw/zinc/78/07/12/606780712.db2.gz NLKCMROILFYWOU-CQSZACIVSA-N 0 1 387.451 1.916 20 0 GDADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000821589191 606820102 /nfs/dbraw/zinc/82/01/02/606820102.db2.gz BAMLJCHJDNCFJJ-UHFFFAOYSA-N 0 1 399.436 1.228 20 0 GDADMN COCc1cccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)c1 ZINC000821695676 606820656 /nfs/dbraw/zinc/82/06/56/606820656.db2.gz CIUPIFOSFONTHY-UHFFFAOYSA-N 0 1 388.453 1.880 20 0 GDADMN CCCCOCCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821071773 606882679 /nfs/dbraw/zinc/88/26/79/606882679.db2.gz MERZUDVFAPKZEX-UHFFFAOYSA-N 0 1 375.401 1.630 20 0 GDADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820752511 606915984 /nfs/dbraw/zinc/91/59/84/606915984.db2.gz NVJHVGLRQWWKRB-LKFCYVNXSA-N 0 1 382.877 1.281 20 0 GDADMN Cc1ccnc(N2CCN(CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000822374451 606990665 /nfs/dbraw/zinc/99/06/65/606990665.db2.gz XMWIFMFPSRASKB-UHFFFAOYSA-N 0 1 392.467 1.721 20 0 GDADMN COCCN1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821691430 607002480 /nfs/dbraw/zinc/00/24/80/607002480.db2.gz ULWPSHGBCPUZEU-UHFFFAOYSA-N 0 1 388.472 1.205 20 0 GDADMN COc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)c(C)c1 ZINC000821798801 607159821 /nfs/dbraw/zinc/15/98/21/607159821.db2.gz OFALLTXYGPCZEF-UHFFFAOYSA-N 0 1 386.437 1.936 20 0 GDADMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1N1CCOCC1 ZINC000820994810 607175081 /nfs/dbraw/zinc/17/50/81/607175081.db2.gz KYTKSPCNISVZHT-DAYGRLMNSA-N 0 1 399.499 1.236 20 0 GDADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000820706250 607208080 /nfs/dbraw/zinc/20/80/80/607208080.db2.gz YCXKKEOHZMRQKP-CYBMUJFWSA-N 0 1 381.444 1.471 20 0 GDADMN C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820706250 607208081 /nfs/dbraw/zinc/20/80/81/607208081.db2.gz YCXKKEOHZMRQKP-CYBMUJFWSA-N 0 1 381.444 1.471 20 0 GDADMN C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820706250 607208082 /nfs/dbraw/zinc/20/80/82/607208082.db2.gz YCXKKEOHZMRQKP-CYBMUJFWSA-N 0 1 381.444 1.471 20 0 GDADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000823131673 607211813 /nfs/dbraw/zinc/21/18/13/607211813.db2.gz LSADQWPRCBHERD-UHFFFAOYSA-N 0 1 381.444 1.473 20 0 GDADMN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821563877 607212525 /nfs/dbraw/zinc/21/25/25/607212525.db2.gz JUVOKIGXYFPETR-AWEZNQCLSA-N 0 1 392.427 1.192 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1OCc1cscn1 ZINC000823136115 607213128 /nfs/dbraw/zinc/21/31/28/607213128.db2.gz KPBFTBOFFSUEOP-UHFFFAOYSA-N 0 1 383.397 1.132 20 0 GDADMN Cc1cccc(CN(Cc2ccccn2)C(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822304479 607214829 /nfs/dbraw/zinc/21/48/29/607214829.db2.gz YLOIJMMZSJHWEH-UHFFFAOYSA-N 0 1 389.423 1.391 20 0 GDADMN CC(C)(C)Cc1nc2cc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccc2o1 ZINC000819914142 607215598 /nfs/dbraw/zinc/21/55/98/607215598.db2.gz NAYFXYDEPWUEFE-UHFFFAOYSA-N 0 1 381.400 1.827 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(F)cc1OCC(F)(F)F ZINC000823136285 607217274 /nfs/dbraw/zinc/21/72/74/607217274.db2.gz SWGXXXKJWUQHGC-UHFFFAOYSA-N 0 1 386.269 1.177 20 0 GDADMN Cc1ccc(C[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccn2)cc1 ZINC000822234604 607217397 /nfs/dbraw/zinc/21/73/97/607217397.db2.gz BACSAKAUIXEHKW-INIZCTEOSA-N 0 1 389.423 1.262 20 0 GDADMN Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OCC1CCOCC1 ZINC000822248673 607219160 /nfs/dbraw/zinc/21/91/60/607219160.db2.gz IBPKWEVRUUVQSP-UHFFFAOYSA-N 0 1 398.427 1.211 20 0 GDADMN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)n1 ZINC000822197964 607219600 /nfs/dbraw/zinc/21/96/00/607219600.db2.gz WOCOOTDJIJVDDQ-ZDUSSCGKSA-N 0 1 392.427 1.138 20 0 GDADMN CN1CCN(c2ccc(NCc3cnc4ccc(-c5nn[nH]n5)cn34)nc2)CC1 ZINC000821628226 607228728 /nfs/dbraw/zinc/22/87/28/607228728.db2.gz CSRJIFOOPXHHGZ-UHFFFAOYSA-N 0 1 390.455 1.273 20 0 GDADMN C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821623525 607230652 /nfs/dbraw/zinc/23/06/52/607230652.db2.gz MOJZWOJSMRHKTL-YPMHNXCESA-N 0 1 396.904 1.625 20 0 GDADMN C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821623525 607230653 /nfs/dbraw/zinc/23/06/53/607230653.db2.gz MOJZWOJSMRHKTL-YPMHNXCESA-N 0 1 396.904 1.625 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000824795571 607804568 /nfs/dbraw/zinc/80/45/68/607804568.db2.gz ADKWNTDONXCIAL-LLVKDONJSA-N 0 1 383.412 1.809 20 0 GDADMN O=S(=O)(CCN1CCC[C@H](N2CCCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484794 607827780 /nfs/dbraw/zinc/82/77/80/607827780.db2.gz PPGTZTSOUZFMIT-INIZCTEOSA-N 0 1 390.513 1.201 20 0 GDADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826503925 607943530 /nfs/dbraw/zinc/94/35/30/607943530.db2.gz JQNBRKQJZBJTKI-ZIFCJYIRSA-N 0 1 399.426 1.553 20 0 GDADMN Cn1ccnc1[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826363926 607958933 /nfs/dbraw/zinc/95/89/33/607958933.db2.gz GBSVFCJAGWGGQG-ZBFHGGJFSA-N 0 1 378.440 1.195 20 0 GDADMN CCc1cccc(OCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)c1 ZINC000825722456 608019468 /nfs/dbraw/zinc/01/94/68/608019468.db2.gz HBNXHOGBAZCZTC-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN CCc1cccc(OCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)c1 ZINC000825722456 608019469 /nfs/dbraw/zinc/01/94/69/608019469.db2.gz HBNXHOGBAZCZTC-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1-c1nnn[n-]1 ZINC000826077806 608019905 /nfs/dbraw/zinc/01/99/05/608019905.db2.gz WKRIVZWSPNSLPJ-VLIAUNLRSA-N 0 1 392.467 1.584 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1-c1nn[n-]n1 ZINC000826077806 608019906 /nfs/dbraw/zinc/01/99/06/608019906.db2.gz WKRIVZWSPNSLPJ-VLIAUNLRSA-N 0 1 392.467 1.584 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccccc2F)c1-c1nnn[n-]1 ZINC000826073408 608020219 /nfs/dbraw/zinc/02/02/19/608020219.db2.gz QWNLVLVBTRHHLG-NSHDSACASA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccccc2F)c1-c1nn[n-]n1 ZINC000826073408 608020220 /nfs/dbraw/zinc/02/02/20/608020220.db2.gz QWNLVLVBTRHHLG-NSHDSACASA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826077410 608021330 /nfs/dbraw/zinc/02/13/30/608021330.db2.gz HGNVNIBOENUZBU-VXGBXAGGSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826077410 608021331 /nfs/dbraw/zinc/02/13/31/608021331.db2.gz HGNVNIBOENUZBU-VXGBXAGGSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826077145 608021968 /nfs/dbraw/zinc/02/19/68/608021968.db2.gz BFJVEZIRUBLCOJ-CQSZACIVSA-N 0 1 395.427 1.198 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826077145 608021969 /nfs/dbraw/zinc/02/19/69/608021969.db2.gz BFJVEZIRUBLCOJ-CQSZACIVSA-N 0 1 395.427 1.198 20 0 GDADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@H]([C@H](C)O)C1 ZINC000824688942 608033873 /nfs/dbraw/zinc/03/38/73/608033873.db2.gz IXFRVRPOTSFNMN-WOPDTQHZSA-N 0 1 378.864 1.940 20 0 GDADMN CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825722467 608035555 /nfs/dbraw/zinc/03/55/55/608035555.db2.gz HHRWZPJFHPLFJC-LBPRGKRZSA-N 0 1 397.487 1.626 20 0 GDADMN CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825722467 608035556 /nfs/dbraw/zinc/03/55/56/608035556.db2.gz HHRWZPJFHPLFJC-LBPRGKRZSA-N 0 1 397.487 1.626 20 0 GDADMN Cc1nc(CN(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)nc2ccccc12 ZINC000826325726 608036212 /nfs/dbraw/zinc/03/62/12/608036212.db2.gz JOKJRRRRQNRHJV-UHFFFAOYSA-N 0 1 378.444 1.488 20 0 GDADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCN(C)[C@H](C)C1 ZINC000824978841 608041856 /nfs/dbraw/zinc/04/18/56/608041856.db2.gz YNZCCUFPZRYBQK-GHMZBOCLSA-N 0 1 375.502 1.380 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)n[nH]1 ZINC000824359648 608097025 /nfs/dbraw/zinc/09/70/25/608097025.db2.gz ZITBNUAHZNSJJS-MRVPVSSYSA-N 0 1 396.864 1.801 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000824359589 608097788 /nfs/dbraw/zinc/09/77/88/608097788.db2.gz XHHVQVUJZALKTF-SNVBAGLBSA-N 0 1 376.446 1.289 20 0 GDADMN CCC[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)[NH+](C)C ZINC000825224823 608117050 /nfs/dbraw/zinc/11/70/50/608117050.db2.gz CQEJQMDTDHITLL-ZDUSSCGKSA-N 0 1 388.476 1.111 20 0 GDADMN O=C(c1ccc(F)cn1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826473223 608145276 /nfs/dbraw/zinc/14/52/76/608145276.db2.gz PKGGXIMKRATIBF-UHFFFAOYSA-N 0 1 381.415 1.749 20 0 GDADMN Cn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1[C@H]1CCC[NH2+]C1 ZINC000826356182 608184304 /nfs/dbraw/zinc/18/43/04/608184304.db2.gz FMOPHFLEGCFJCM-LURJTMIESA-N 0 1 383.894 1.723 20 0 GDADMN Cn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000826356182 608184306 /nfs/dbraw/zinc/18/43/06/608184306.db2.gz FMOPHFLEGCFJCM-LURJTMIESA-N 0 1 383.894 1.723 20 0 GDADMN O=C(N[C@H]1CCc2nc[nH]c2C1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826432135 608196132 /nfs/dbraw/zinc/19/61/32/608196132.db2.gz SRHDABFERPJJNT-SUMWQHHRSA-N 0 1 378.440 1.232 20 0 GDADMN Cc1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(-c3nn[nH]n3)c2)o1 ZINC000826292967 608301257 /nfs/dbraw/zinc/30/12/57/608301257.db2.gz VFYHVRQSQUNGLQ-UHFFFAOYSA-N 0 1 390.469 1.521 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCCN(CC(F)F)CC1 ZINC000826175789 608321854 /nfs/dbraw/zinc/32/18/54/608321854.db2.gz QNGDEINNTHVHCF-UHFFFAOYSA-N 0 1 382.415 1.527 20 0 GDADMN Cn1cc([C@H](O)C[C@@H]2CCCN2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826360173 608376223 /nfs/dbraw/zinc/37/62/23/608376223.db2.gz ZVTQFPCHKOTOSR-DLBZAZTESA-N 0 1 396.455 1.127 20 0 GDADMN c1cc(Nc2ccc(-c3nnn[n-]3)nn2)cc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000826516775 608403756 /nfs/dbraw/zinc/40/37/56/608403756.db2.gz AXNRNSMXBLAHNY-UHFFFAOYSA-N 0 1 377.456 1.932 20 0 GDADMN c1cc(Nc2ccc(-c3nn[n-]n3)nn2)cc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000826516775 608403759 /nfs/dbraw/zinc/40/37/59/608403759.db2.gz AXNRNSMXBLAHNY-UHFFFAOYSA-N 0 1 377.456 1.932 20 0 GDADMN C[C@@H](NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562511 608459287 /nfs/dbraw/zinc/45/92/87/608459287.db2.gz 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945475736 /nfs/dbraw/zinc/47/57/36/945475736.db2.gz FTNUYBUICINJTN-CXAGYDPISA-N 0 1 385.472 1.424 20 0 GDADMN C[C@H]1CN(C(=O)CCC2CCOCC2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571264532 945485503 /nfs/dbraw/zinc/48/55/03/945485503.db2.gz QSABMRLJXRCZPV-GUYCJALGSA-N 0 1 385.472 1.149 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571264888 945495503 /nfs/dbraw/zinc/49/55/03/945495503.db2.gz ZQVQMSIHWSNWSM-CPUCHLNUSA-N 0 1 385.472 1.210 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c(C)n1C ZINC001571264922 945495549 /nfs/dbraw/zinc/49/55/49/945495549.db2.gz APHHIWIINRBFEK-CYBMUJFWSA-N 0 1 385.497 1.888 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c(C)n1C ZINC001571264922 945495553 /nfs/dbraw/zinc/49/55/53/945495553.db2.gz APHHIWIINRBFEK-CYBMUJFWSA-N 0 1 385.497 1.888 20 0 GDADMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000820722800 945536369 /nfs/dbraw/zinc/53/63/69/945536369.db2.gz 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ZINC001571282561 945849611 /nfs/dbraw/zinc/84/96/11/945849611.db2.gz KPTMXYRZZWXYNL-ZDUSSCGKSA-N 0 1 387.444 1.857 20 0 GDADMN O=C(c1cncc(F)c1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282561 945849624 /nfs/dbraw/zinc/84/96/24/945849624.db2.gz KPTMXYRZZWXYNL-ZDUSSCGKSA-N 0 1 387.444 1.857 20 0 GDADMN C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282867 945866128 /nfs/dbraw/zinc/86/61/28/945866128.db2.gz TUVFNMJJULYKPM-KGLIPLIRSA-N 0 1 387.463 1.893 20 0 GDADMN CC1(C)CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571284208 945897554 /nfs/dbraw/zinc/89/75/54/945897554.db2.gz MXDKBLUXZWDPHT-NSHDSACASA-N 0 1 387.835 1.023 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)[C@H]1CC[C@H](F)C1 ZINC001571286320 945945621 /nfs/dbraw/zinc/94/56/21/945945621.db2.gz DOYKTTAPVIKLNS-AORAQPTISA-N 0 1 388.422 1.690 20 0 GDADMN O=C(N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CCC(F)CC1 ZINC001571287606 945976233 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/nfs/dbraw/zinc/21/38/31/946213831.db2.gz NERDDNRSRXVPAO-GUYCJALGSA-N 0 1 390.463 1.711 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3cccnc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299209 946242565 /nfs/dbraw/zinc/24/25/65/946242565.db2.gz PCEFNFZUFZCSED-HDJSIYSDSA-N 0 1 390.451 1.637 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571299264 946245041 /nfs/dbraw/zinc/24/50/41/946245041.db2.gz VJPGTSZFBQLDOS-OAGGEKHMSA-N 0 1 390.451 1.545 20 0 GDADMN Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571299277 946246878 /nfs/dbraw/zinc/24/68/78/946246878.db2.gz KDXQVCSMTIROHM-QWHCGFSZSA-N 0 1 390.517 1.376 20 0 GDADMN Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571299277 946246886 /nfs/dbraw/zinc/24/68/86/946246886.db2.gz KDXQVCSMTIROHM-QWHCGFSZSA-N 0 1 390.517 1.376 20 0 GDADMN O=C(CC[C@H]1CCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299914 946266645 /nfs/dbraw/zinc/26/66/45/946266645.db2.gz QVJYJGMUGJAODH-ZIAGYGMSSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(CC[C@H]1CCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299914 946266655 /nfs/dbraw/zinc/26/66/55/946266655.db2.gz QVJYJGMUGJAODH-ZIAGYGMSSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(CC1CCOCC1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571300335 946279958 /nfs/dbraw/zinc/27/99/58/946279958.db2.gz ZZGIVAJOIGMMEE-AWEZNQCLSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(CC1CCOCC1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571300335 946279970 /nfs/dbraw/zinc/27/99/70/946279970.db2.gz ZZGIVAJOIGMMEE-AWEZNQCLSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000823131309 946327337 /nfs/dbraw/zinc/32/73/37/946327337.db2.gz FRORQQBTXJEYHS-UHFFFAOYSA-N 0 1 389.379 1.349 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001571303592 946342381 /nfs/dbraw/zinc/34/23/81/946342381.db2.gz NXDFQMJOOYXBLL-AEGPPILISA-N 0 1 391.439 1.035 20 0 GDADMN CC(=O)N[C@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC2(CCOCC2)C1 ZINC001573498125 946357830 /nfs/dbraw/zinc/35/78/30/946357830.db2.gz XQGRPPZKMUGUKH-CYBMUJFWSA-N 0 1 376.486 1.435 20 0 GDADMN CC(=O)N[C@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC2(CCOCC2)C1 ZINC001573498125 946357843 /nfs/dbraw/zinc/35/78/43/946357843.db2.gz XQGRPPZKMUGUKH-CYBMUJFWSA-N 0 1 376.486 1.435 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccnnc1 ZINC001571305657 946370534 /nfs/dbraw/zinc/37/05/34/946370534.db2.gz INIGSBPEPLDQFG-XWEPSHTISA-N 0 1 391.848 1.387 20 0 GDADMN Cc1cc(CNC(=O)COc2ccc(-c3nn[nH]n3)c(Br)c2)n[nH]1 ZINC001571307532 946423668 /nfs/dbraw/zinc/42/36/68/946423668.db2.gz DGPSBOQMNYCWFH-UHFFFAOYSA-N 0 1 392.217 1.356 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)c(C)nn1 ZINC001571315676 946557706 /nfs/dbraw/zinc/55/77/06/946557706.db2.gz NUVWKSNOYFJUST-KDOFPFPSSA-N 0 1 392.467 1.666 20 0 GDADMN Cc1cc(NC[C@@H]2CCCN2C(=O)Cc2cnccc2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316236 946568165 /nfs/dbraw/zinc/56/81/65/946568165.db2.gz XBFQLSAERHVTBG-INIZCTEOSA-N 0 1 392.467 1.341 20 0 GDADMN Cc1cncc(CC(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571316583 946581733 /nfs/dbraw/zinc/58/17/33/946581733.db2.gz HDUIUZACTIYAGN-MRXNPFEDSA-N 0 1 392.467 1.601 20 0 GDADMN O=C(Cc1ccccc1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571317062 946598865 /nfs/dbraw/zinc/59/88/65/946598865.db2.gz UJNIANPUFRTGAX-MRXNPFEDSA-N 0 1 392.467 1.504 20 0 GDADMN O=C(Cc1ccc[nH]1)N[C@@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571317292 946606884 /nfs/dbraw/zinc/60/68/84/946606884.db2.gz BFAKBQDNSADQAM-SNVBAGLBSA-N 0 1 392.876 1.632 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317437 946609671 /nfs/dbraw/zinc/60/96/71/946609671.db2.gz HNXFUXMZZLNZCR-VXGBXAGGSA-N 0 1 392.485 1.160 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317437 946609675 /nfs/dbraw/zinc/60/96/75/946609675.db2.gz HNXFUXMZZLNZCR-VXGBXAGGSA-N 0 1 392.485 1.160 20 0 GDADMN CC[C@H](C(=O)N1CCC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317728 946618598 /nfs/dbraw/zinc/61/85/98/946618598.db2.gz SSEQCSXGSHGKIB-CHWSQXEVSA-N 0 1 392.533 1.622 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)n1C ZINC001571317851 946624206 /nfs/dbraw/zinc/62/42/06/946624206.db2.gz XHCCDBDUWACDDE-DTORHVGOSA-N 0 1 392.876 1.996 20 0 GDADMN Brc1ccc(-c2nn[nH]n2)c(N2CCN([C@H]3CCOC3)CC2)c1 ZINC001573279362 946638936 /nfs/dbraw/zinc/63/89/36/946638936.db2.gz GQNCUTQUNJIPBI-LBPRGKRZSA-N 0 1 379.262 1.540 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCO1 ZINC000824868204 946961367 /nfs/dbraw/zinc/96/13/67/946961367.db2.gz UCWYPHPGQLPEHD-DGCLKSJQSA-N 0 1 387.444 1.196 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(C)(F)F ZINC001573593078 947362245 /nfs/dbraw/zinc/36/22/45/947362245.db2.gz IHCQMHVWKIHKRR-ONGXEEELSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573598292 947442947 /nfs/dbraw/zinc/44/29/47/947442947.db2.gz PQYAMLAVEGFATN-PBHICJAKSA-N 0 1 380.456 1.357 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000327467666 971400928 /nfs/dbraw/zinc/40/09/28/971400928.db2.gz IOPGWWZKUALJCQ-GFCCVEGCSA-N 0 1 388.873 1.906 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573616109 947616612 /nfs/dbraw/zinc/61/66/12/947616612.db2.gz LNIMNVCSLUTUCQ-ZIAGYGMSSA-N 0 1 381.440 1.731 20 0 GDADMN C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573619871 947672385 /nfs/dbraw/zinc/67/23/85/947672385.db2.gz XDXORDNJVQCELG-SECBINFHSA-N 0 1 384.366 1.070 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573367633 947761554 /nfs/dbraw/zinc/76/15/54/947761554.db2.gz GDBYURCTUZTJIJ-HIFRSBDPSA-N 0 1 385.472 1.339 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCCNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573637629 947820214 /nfs/dbraw/zinc/82/02/14/947820214.db2.gz LGORZUDXGUMXAY-IIAWOOMASA-N 0 1 398.515 1.944 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)(F)F ZINC001573639668 947845757 /nfs/dbraw/zinc/84/57/57/947845757.db2.gz AYKREOCGCQAQHY-BXKDBHETSA-N 0 1 386.353 1.895 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001573380561 947861703 /nfs/dbraw/zinc/86/17/03/947861703.db2.gz FSETXBDYFYDVHT-MKZZRHPPSA-N 0 1 383.456 1.128 20 0 GDADMN CC(=O)CCCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CCCC1 ZINC001573381257 947870386 /nfs/dbraw/zinc/87/03/86/947870386.db2.gz RSHCYMJAOJGFFU-UHFFFAOYSA-N 0 1 385.472 1.592 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573384204 947900947 /nfs/dbraw/zinc/90/09/47/947900947.db2.gz IWJGLXWUGWSCDV-JOCQHMNTSA-N 0 1 376.486 1.672 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573384204 947900955 /nfs/dbraw/zinc/90/09/55/947900955.db2.gz IWJGLXWUGWSCDV-JOCQHMNTSA-N 0 1 376.486 1.672 20 0 GDADMN C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573651715 947923436 /nfs/dbraw/zinc/92/34/36/947923436.db2.gz PVMBGPJLMZOTHR-DRZSPHRISA-N 0 1 382.453 1.311 20 0 GDADMN C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001573652144 947931007 /nfs/dbraw/zinc/93/10/07/947931007.db2.gz BGOUNIGBCIZORP-BBATYDOGSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573654218 947963888 /nfs/dbraw/zinc/96/38/88/947963888.db2.gz PPRZNYIRVUGLAL-CWTRNNRKSA-N 0 1 384.488 1.602 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347319 948053851 /nfs/dbraw/zinc/05/38/51/948053851.db2.gz MUKBYLBFRGKNDS-INIZCTEOSA-N 0 1 395.467 1.877 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347319 948053858 /nfs/dbraw/zinc/05/38/58/948053858.db2.gz MUKBYLBFRGKNDS-INIZCTEOSA-N 0 1 395.467 1.877 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573671363 948108223 /nfs/dbraw/zinc/10/82/23/948108223.db2.gz FHIPEPNDQOGOAA-KBXCAEBGSA-N 0 1 377.452 1.756 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)n1cccc1 ZINC001573676228 948124788 /nfs/dbraw/zinc/12/47/88/948124788.db2.gz SPWDJBYSXHEKSU-ZJUUUORDSA-N 0 1 392.876 1.734 20 0 GDADMN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccc1 ZINC001573679355 948161020 /nfs/dbraw/zinc/16/10/20/948161020.db2.gz IBYUHUGXIQSLPG-DOMZBBRYSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccc1 ZINC001573679355 948161028 /nfs/dbraw/zinc/16/10/28/948161028.db2.gz IBYUHUGXIQSLPG-DOMZBBRYSA-N 0 1 385.497 1.975 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001573680686 948186337 /nfs/dbraw/zinc/18/63/37/948186337.db2.gz PQEHIMZZEWDHML-GUYCJALGSA-N 0 1 380.456 1.435 20 0 GDADMN O=C([C@H]1CCCCS1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826399017 948213419 /nfs/dbraw/zinc/21/34/19/948213419.db2.gz KMJILBOGZOUDSG-GFCCVEGCSA-N 0 1 389.485 1.666 20 0 GDADMN O=C(CSc1ccc(-c2nn[nH]n2)cc1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000826420140 948264014 /nfs/dbraw/zinc/26/40/14/948264014.db2.gz ACVOKBJDOXGOJM-INIZCTEOSA-N 0 1 392.448 1.983 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(C)C ZINC001573693288 948280975 /nfs/dbraw/zinc/28/09/75/948280975.db2.gz SFDXAFLPOPPHFY-SFYZADRCSA-N 0 1 387.897 1.548 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001573695694 948308938 /nfs/dbraw/zinc/30/89/38/948308938.db2.gz YMWPYIOUTJVOPO-PWSUYJOCSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccsc1 ZINC001573695694 948308952 /nfs/dbraw/zinc/30/89/52/948308952.db2.gz YMWPYIOUTJVOPO-PWSUYJOCSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573702631 948349713 /nfs/dbraw/zinc/34/97/13/948349713.db2.gz GGBHDELBMCCTOC-UWVGGRQHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1)C(C)(C)C ZINC001573707986 948441476 /nfs/dbraw/zinc/44/14/76/948441476.db2.gz QORVYMADYLJSJT-CHWSQXEVSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573739227 948617505 /nfs/dbraw/zinc/61/75/05/948617505.db2.gz BDVVTDDJVSRINV-MYPMTAMASA-N 0 1 382.472 1.709 20 0 GDADMN C[C@H](CN=c1cc[nH]c(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573742915 948664282 /nfs/dbraw/zinc/66/42/82/948664282.db2.gz TXUFEFHZYHOORC-ZJUUUORDSA-N 0 1 388.382 1.077 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573746540 948684201 /nfs/dbraw/zinc/68/42/01/948684201.db2.gz KTOMPIAJQGUHAK-XJFOESAGSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574914457 948749168 /nfs/dbraw/zinc/74/91/68/948749168.db2.gz KBFDKWVLUOUPBU-VIFPVBQESA-N 0 1 392.876 1.343 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574416569 948752614 /nfs/dbraw/zinc/75/26/14/948752614.db2.gz YJBYTEXCCVIWAE-LBPRGKRZSA-N 0 1 381.444 1.170 20 0 GDADMN CC(C)c1cccc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574418225 948776618 /nfs/dbraw/zinc/77/66/18/948776618.db2.gz VTSFVDKDBKJQCO-CQSZACIVSA-N 0 1 392.467 1.776 20 0 GDADMN CC(F)(F)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575224245 948781167 /nfs/dbraw/zinc/78/11/67/948781167.db2.gz KUKXXPXWPJPLJB-JTQLQIEISA-N 0 1 386.428 1.291 20 0 GDADMN CC(F)(F)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575224245 948781173 /nfs/dbraw/zinc/78/11/73/948781173.db2.gz KUKXXPXWPJPLJB-JTQLQIEISA-N 0 1 386.428 1.291 20 0 GDADMN CC(C)[C@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1)[NH+]1CCCC1 ZINC001574679495 948784623 /nfs/dbraw/zinc/78/46/23/948784623.db2.gz WGKRNJNUSNFUKF-XJKSGUPXSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001574679495 948784627 /nfs/dbraw/zinc/78/46/27/948784627.db2.gz WGKRNJNUSNFUKF-XJKSGUPXSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)c1nc(C(=O)N(C)[C@@H](C)CNc2ccncc2-c2nn[nH]n2)cs1 ZINC001574424179 948843747 /nfs/dbraw/zinc/84/37/47/948843747.db2.gz HGYQGDAJMOSBIJ-NSHDSACASA-N 0 1 386.485 1.836 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573763362 948866451 /nfs/dbraw/zinc/86/64/51/948866451.db2.gz DOCRLCKMESDVTH-LLVKDONJSA-N 0 1 379.415 1.625 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCCCO1 ZINC001573763403 948867203 /nfs/dbraw/zinc/86/72/03/948867203.db2.gz DRYCRCUASGVHBN-CZUORRHYSA-N 0 1 385.472 1.292 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccncc1 ZINC001574684783 948889005 /nfs/dbraw/zinc/88/90/05/948889005.db2.gz MQEAJMPNBNMZCF-QMMMGPOBSA-N 0 1 378.849 1.992 20 0 GDADMN CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575234345 948899651 /nfs/dbraw/zinc/89/96/51/948899651.db2.gz BCNWOPYIHDXEQS-NWDGAFQWSA-N 0 1 392.414 1.662 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C1CCOCC1 ZINC001574685457 948911136 /nfs/dbraw/zinc/91/11/36/948911136.db2.gz WTNLYRFQEFNYSR-QMMMGPOBSA-N 0 1 385.881 1.710 20 0 GDADMN CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575236096 948934403 /nfs/dbraw/zinc/93/44/03/948934403.db2.gz VSAWMXQWLVAPQM-DIFFPNOSSA-N 0 1 392.414 1.710 20 0 GDADMN CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573771859 948946498 /nfs/dbraw/zinc/94/64/98/948946498.db2.gz MPVAZUOVQVLPRN-OCCSQVGLSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573771860 948947483 /nfs/dbraw/zinc/94/74/83/948947483.db2.gz MPVAZUOVQVLPRN-TZMCWYRMSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)C(F)F ZINC001573772264 948955247 /nfs/dbraw/zinc/95/52/47/948955247.db2.gz SARPMJLUBZHGEK-UHFFFAOYSA-N 0 1 379.415 1.814 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001575238368 948955431 /nfs/dbraw/zinc/95/54/31/948955431.db2.gz LMAYSEJCKNSYLB-ZIAGYGMSSA-N 0 1 379.415 1.958 20 0 GDADMN CC(C)[C@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001574689151 948981388 /nfs/dbraw/zinc/98/13/88/948981388.db2.gz DYCKAULYYASULJ-DZGCQCFKSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001574689151 948981392 /nfs/dbraw/zinc/98/13/92/948981392.db2.gz DYCKAULYYASULJ-DZGCQCFKSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCC1 ZINC001574694567 949082297 /nfs/dbraw/zinc/08/22/97/949082297.db2.gz RPZHZNOWLBOEMY-YOEHRIQHSA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001574694660 949086318 /nfs/dbraw/zinc/08/63/18/949086318.db2.gz UBOHHTLNDMCTLK-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001574694660 949086338 /nfs/dbraw/zinc/08/63/38/949086338.db2.gz UBOHHTLNDMCTLK-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574443476 949108492 /nfs/dbraw/zinc/10/84/92/949108492.db2.gz YXFULXMBXHYUIF-HNNXBMFYSA-N 0 1 381.440 1.982 20 0 GDADMN CC(C)c1occc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446376 949130246 /nfs/dbraw/zinc/13/02/46/949130246.db2.gz NSGXVGMKPBUECE-LBPRGKRZSA-N 0 1 382.428 1.772 20 0 GDADMN CC(C)c1ocnc1C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574446445 949132284 /nfs/dbraw/zinc/13/22/84/949132284.db2.gz QDJLQGLOWWTUBH-UHFFFAOYSA-N 0 1 382.428 1.510 20 0 GDADMN CC(C)c1ocnc1CNC[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574449907 949208051 /nfs/dbraw/zinc/20/80/51/949208051.db2.gz VMNGQFZKALHZNP-GFCCVEGCSA-N 0 1 384.444 1.558 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccncc1-c1nn[nH]n1 ZINC001574936268 949214663 /nfs/dbraw/zinc/21/46/63/949214663.db2.gz JCXHVGMMJVBCHN-NSHDSACASA-N 0 1 387.394 1.369 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccncc1-c1nn[nH]n1 ZINC001574936265 949214942 /nfs/dbraw/zinc/21/49/42/949214942.db2.gz JCXHVGMMJVBCHN-LLVKDONJSA-N 0 1 387.394 1.369 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@](CO)(NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573791597 949224354 /nfs/dbraw/zinc/22/43/54/949224354.db2.gz CQHYRHXBFZBBQC-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576151513 949225939 /nfs/dbraw/zinc/22/59/39/949225939.db2.gz GCRIOWRJWBYOCH-XQLPTFJDSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576151558 949228856 /nfs/dbraw/zinc/22/88/56/949228856.db2.gz GOKYCQJVEQZDBT-YJYMSZOUSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574699475 949238887 /nfs/dbraw/zinc/23/88/87/949238887.db2.gz VERXZUZSAVMCRH-QWHCGFSZSA-N 0 1 390.463 1.757 20 0 GDADMN CC1(c2ccccc2C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575856305 949242007 /nfs/dbraw/zinc/24/20/07/949242007.db2.gz DXNSHDJWMCMPKP-ZDUSSCGKSA-N 0 1 390.451 1.457 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702840 949295288 /nfs/dbraw/zinc/29/52/88/949295288.db2.gz MRDFASKIJPJOGT-RNODOKPDSA-N 0 1 392.467 1.242 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574941766 949319315 /nfs/dbraw/zinc/31/93/15/949319315.db2.gz SEAONKWFZNOOCL-QMMMGPOBSA-N 0 1 378.849 1.531 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574463804 949383606 /nfs/dbraw/zinc/38/36/06/949383606.db2.gz BHMCMQWOWFFMES-INIZCTEOSA-N 0 1 380.456 1.687 20 0 GDADMN C[C@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575263591 949402119 /nfs/dbraw/zinc/40/21/19/949402119.db2.gz IHGXMEXCOGBAQP-QWRGUYRKSA-N 0 1 383.378 1.935 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465127 949427814 /nfs/dbraw/zinc/42/78/14/949427814.db2.gz PCSPXBKJWMCSMS-BETUJISGSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574469141 949473630 /nfs/dbraw/zinc/47/36/30/949473630.db2.gz XKYPPUXRKRDQBW-UHFFFAOYSA-N 0 1 384.448 1.033 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157072 949474559 /nfs/dbraw/zinc/47/45/59/949474559.db2.gz PEJQCXGCMLVGBK-KZULUSFZSA-N 0 1 381.444 1.198 20 0 GDADMN C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574470334 949495188 /nfs/dbraw/zinc/49/51/88/949495188.db2.gz AZPBOEQLOKQACF-IDKOKCKLSA-N 0 1 384.366 1.068 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]([C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CC1 ZINC001575539050 949538572 /nfs/dbraw/zinc/53/85/72/949538572.db2.gz LWAFUUHEVAGSMD-KGLIPLIRSA-N 0 1 382.472 1.522 20 0 GDADMN CC(C)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1c1ccccc1 ZINC001574124113 949565863 /nfs/dbraw/zinc/56/58/63/949565863.db2.gz BYYKRKVJZMVTAX-JKSUJKDBSA-N 0 1 392.467 1.791 20 0 GDADMN C[C@H](NC(=O)C[C@@H]1CCCCO1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269872 949568927 /nfs/dbraw/zinc/56/89/27/949568927.db2.gz XESYNQUJROMFOU-KSSFIOAISA-N 0 1 384.484 1.762 20 0 GDADMN C[C@@H](CC(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574475807 949576504 /nfs/dbraw/zinc/57/65/04/949576504.db2.gz BZFUCSHETCLANL-LRDDRELGSA-N 0 1 390.463 1.351 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956569 949583530 /nfs/dbraw/zinc/58/35/30/949583530.db2.gz KVDMQOSDBHPALV-ZBINZKHDSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574956569 949583548 /nfs/dbraw/zinc/58/35/48/949583548.db2.gz KVDMQOSDBHPALV-ZBINZKHDSA-N 0 1 376.486 1.338 20 0 GDADMN CC1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC(F)(F)C1 ZINC001575544509 949587190 /nfs/dbraw/zinc/58/71/90/949587190.db2.gz DTFYLZNRILRIIJ-LLVKDONJSA-N 0 1 392.414 1.307 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCO1 ZINC001573811728 949603531 /nfs/dbraw/zinc/60/35/31/949603531.db2.gz NCICTOBVFOQXHP-TZMCWYRMSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCO1 ZINC001573811728 949603548 /nfs/dbraw/zinc/60/35/48/949603548.db2.gz NCICTOBVFOQXHP-TZMCWYRMSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574957509 949619772 /nfs/dbraw/zinc/61/97/72/949619772.db2.gz ZSHXNGWKUGTIHB-DJLDLDEBSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574957509 949619783 /nfs/dbraw/zinc/61/97/83/949619783.db2.gz ZSHXNGWKUGTIHB-DJLDLDEBSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574957509 949619794 /nfs/dbraw/zinc/61/97/94/949619794.db2.gz ZSHXNGWKUGTIHB-DJLDLDEBSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574957509 949619803 /nfs/dbraw/zinc/61/98/03/949619803.db2.gz ZSHXNGWKUGTIHB-DJLDLDEBSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574957798 949632063 /nfs/dbraw/zinc/63/20/63/949632063.db2.gz IQZRBTVIYLLREJ-WQVCFCJDSA-N 0 1 392.467 1.435 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576168628 949649616 /nfs/dbraw/zinc/64/96/16/949649616.db2.gz CRKAKCBQYVDWDV-IUODEOHRSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575877463 949665598 /nfs/dbraw/zinc/66/55/98/949665598.db2.gz ZUTAFIXJFHDINS-LRDDRELGSA-N 0 1 390.463 1.636 20 0 GDADMN CC1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCC1 ZINC001575548369 949674012 /nfs/dbraw/zinc/67/40/12/949674012.db2.gz YNEWIHNLTRLDFU-LBPRGKRZSA-N 0 1 376.486 1.435 20 0 GDADMN CC1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCC1 ZINC001575548369 949674027 /nfs/dbraw/zinc/67/40/27/949674027.db2.gz YNEWIHNLTRLDFU-LBPRGKRZSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574958607 949678415 /nfs/dbraw/zinc/67/84/15/949678415.db2.gz UMFVFQQCNLVYIA-AGKSTNPPSA-N 0 1 392.467 1.437 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574958623 949682866 /nfs/dbraw/zinc/68/28/66/949682866.db2.gz LPGNUHPBLYZJBT-AEGPPILISA-N 0 1 378.440 1.401 20 0 GDADMN C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574478827 949721774 /nfs/dbraw/zinc/72/17/74/949721774.db2.gz BBSKRZJSYUXBSF-AWEZNQCLSA-N 0 1 392.467 1.675 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574134712 949722045 /nfs/dbraw/zinc/72/20/45/949722045.db2.gz IOODVQZKGIVQHG-HUUCEWRRSA-N 0 1 386.504 1.801 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574960210 949722818 /nfs/dbraw/zinc/72/28/18/949722818.db2.gz VPQJPTUVKSNJFS-UJNFCWOMSA-N 0 1 381.893 1.964 20 0 GDADMN C[C@@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575277110 949742199 /nfs/dbraw/zinc/74/21/99/949742199.db2.gz NTWBSXFKCQJYLX-UONOGXRCSA-N 0 1 381.440 1.458 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717726 949743098 /nfs/dbraw/zinc/74/30/98/949743098.db2.gz WULKISDYRWEJGR-UONOGXRCSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCc1ccns1 ZINC001575881913 949744807 /nfs/dbraw/zinc/74/48/07/949744807.db2.gz DBPPZUPUMWWBRX-FZMZJTMJSA-N 0 1 386.485 1.477 20 0 GDADMN CC1(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)CC(F)(F)C1 ZINC001575559579 949758100 /nfs/dbraw/zinc/75/81/00/949758100.db2.gz WKZHHUUSUFUUSU-CYBMUJFWSA-N 0 1 377.399 1.426 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573820287 949764194 /nfs/dbraw/zinc/76/41/94/949764194.db2.gz XCJFMQNMDGUIEW-WCQYABFASA-N 0 1 379.415 1.672 20 0 GDADMN C[C@@H](CNC(=O)c1c(Cl)cnn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574965735 949814056 /nfs/dbraw/zinc/81/40/56/949814056.db2.gz KMVRFPUDBXBZMS-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574965768 949815793 /nfs/dbraw/zinc/81/57/93/949815793.db2.gz LPGNUHPBLYZJBT-CFVMTHIKSA-N 0 1 378.440 1.401 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1ccncc1-c1nn[nH]n1 ZINC001574965798 949816704 /nfs/dbraw/zinc/81/67/04/949816704.db2.gz LZAXKBUUSFUBFD-SECBINFHSA-N 0 1 391.357 1.579 20 0 GDADMN C[C@H](CNC(=O)c1c(C2CC2)cnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574965807 949819616 /nfs/dbraw/zinc/81/96/16/949819616.db2.gz MISGLZASCSUXAO-SNVBAGLBSA-N 0 1 386.485 1.447 20 0 GDADMN C[C@H](CNC(=O)c1c(C2CC2)cnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574965807 949819625 /nfs/dbraw/zinc/81/96/25/949819625.db2.gz MISGLZASCSUXAO-SNVBAGLBSA-N 0 1 386.485 1.447 20 0 GDADMN C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576172970 949829713 /nfs/dbraw/zinc/82/97/13/949829713.db2.gz VYVXCRULLRBNST-CAOSSQGBSA-N 0 1 381.484 1.983 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)C1 ZINC001573824492 949853783 /nfs/dbraw/zinc/85/37/83/949853783.db2.gz GNKWZKFXNJCTMU-JXQTWKCFSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@H](CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCCC1 ZINC001574484083 949858422 /nfs/dbraw/zinc/85/84/22/949858422.db2.gz TWZOABRETWYQLF-AWEZNQCLSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576178226 949881634 /nfs/dbraw/zinc/88/16/34/949881634.db2.gz GTHMZMQRRQRCLY-ZYHUDNBSSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H](NC(=O)COC(C)(C)C)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575284011 949889751 /nfs/dbraw/zinc/88/97/51/949889751.db2.gz SLICINOJGYBZLR-LBPRGKRZSA-N 0 1 390.463 1.757 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575284163 949897317 /nfs/dbraw/zinc/89/73/17/949897317.db2.gz HYJSWGRMVFBYNA-GJZGRUSLSA-N 0 1 386.504 1.323 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575284163 949897335 /nfs/dbraw/zinc/89/73/35/949897335.db2.gz HYJSWGRMVFBYNA-GJZGRUSLSA-N 0 1 386.504 1.323 20 0 GDADMN C[C@@]1(C(=O)NC2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575568624 949898243 /nfs/dbraw/zinc/89/82/43/949898243.db2.gz AYSCRGGHNGSUSV-LJQANCHMSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574146059 949936912 /nfs/dbraw/zinc/93/69/12/949936912.db2.gz WPBBZPDIPBWRHJ-LSDHHAIUSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@H](CC(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C1CC1 ZINC001574489338 949964191 /nfs/dbraw/zinc/96/41/91/949964191.db2.gz ITPYERHPNHSTDD-BMFZPTHFSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001574489658 949971029 /nfs/dbraw/zinc/97/10/29/949971029.db2.gz KJCCMGGAGCIKIY-CXAGYDPISA-N 0 1 380.456 1.443 20 0 GDADMN C[C@@H](CN(C)C(=O)COc1ccccc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574727641 949975217 /nfs/dbraw/zinc/97/52/17/949975217.db2.gz WSARHBZFURYZOU-ZDUSSCGKSA-N 0 1 386.481 1.944 20 0 GDADMN C[C@@H](CN(C)C(=O)COc1ccccc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574727641 949975236 /nfs/dbraw/zinc/97/52/36/949975236.db2.gz WSARHBZFURYZOU-ZDUSSCGKSA-N 0 1 386.481 1.944 20 0 GDADMN C[C@@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574727615 949976876 /nfs/dbraw/zinc/97/68/76/949976876.db2.gz WAXMEFKTNRGHFB-LBPRGKRZSA-N 0 1 387.469 1.339 20 0 GDADMN C[C@@H](CN(C)C(=O)COc1cccnc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574727615 949976897 /nfs/dbraw/zinc/97/68/97/949976897.db2.gz WAXMEFKTNRGHFB-LBPRGKRZSA-N 0 1 387.469 1.339 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181321 949996456 /nfs/dbraw/zinc/99/64/56/949996456.db2.gz TUTAASNBEKMWTM-NEPJUHHUSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574490432 949997002 /nfs/dbraw/zinc/99/70/02/949997002.db2.gz RMSJJEHSYISTNX-JKIFEVAISA-N 0 1 380.456 1.395 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001573834095 950011279 /nfs/dbraw/zinc/01/12/79/950011279.db2.gz FYCMIOQJOMOKLU-OLZOCXBDSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574490773 950020579 /nfs/dbraw/zinc/02/05/79/950020579.db2.gz YPXHGOJVSWQWGW-BPUTZDHNSA-N 0 1 390.451 1.640 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCO1 ZINC001574150268 950025714 /nfs/dbraw/zinc/02/57/14/950025714.db2.gz AWCKUXZFDTVUHT-JSGCOSHPSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCO1 ZINC001574150268 950025734 /nfs/dbraw/zinc/02/57/34/950025734.db2.gz AWCKUXZFDTVUHT-JSGCOSHPSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574730338 950029119 /nfs/dbraw/zinc/02/91/19/950029119.db2.gz RGIASIKPHXPPQF-LLVKDONJSA-N 0 1 386.847 1.234 20 0 GDADMN C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001574491634 950043138 /nfs/dbraw/zinc/04/31/38/950043138.db2.gz FDFXWHDGDBIKKQ-LBPRGKRZSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576182393 950050889 /nfs/dbraw/zinc/05/08/89/950050889.db2.gz ZHAOLZLTDVXRPD-RYUDHWBXSA-N 0 1 381.444 1.008 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574731508 950054941 /nfs/dbraw/zinc/05/49/41/950054941.db2.gz VTQWTUFFKVFZKG-NSHDSACASA-N 0 1 386.847 1.234 20 0 GDADMN C[C@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574492003 950055033 /nfs/dbraw/zinc/05/50/33/950055033.db2.gz IEHCOBVRRGDMFP-KZULUSFZSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182733 950058376 /nfs/dbraw/zinc/05/83/76/950058376.db2.gz PDPBIAYDVNIIMF-GXTWGEPZSA-N 0 1 382.428 1.415 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001574492285 950072395 /nfs/dbraw/zinc/07/23/95/950072395.db2.gz ABEHDELDMNTXPY-APPZFPTMSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@H](CC(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001574492436 950080893 /nfs/dbraw/zinc/08/08/93/950080893.db2.gz MTUIIVXEWMCSMM-BBEGDGIKSA-N 0 1 382.472 1.711 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC(C)(C)O ZINC001574151654 950091177 /nfs/dbraw/zinc/09/11/77/950091177.db2.gz XGSHXSBZPVPDFM-HNNXBMFYSA-N 0 1 392.479 1.787 20 0 GDADMN C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574493511 950132537 /nfs/dbraw/zinc/13/25/37/950132537.db2.gz SXBIRLVFINBKJL-UGSOOPFHSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184699 950139140 /nfs/dbraw/zinc/13/91/40/950139140.db2.gz XGOATRNQXPXZOC-HIFRSBDPSA-N 0 1 383.456 1.274 20 0 GDADMN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576184874 950141797 /nfs/dbraw/zinc/14/17/97/950141797.db2.gz XKVJOTQNXOSFPZ-HUUCEWRRSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576184872 950142812 /nfs/dbraw/zinc/14/28/12/950142812.db2.gz XKVJOTQNXOSFPZ-CABCVRRESA-N 0 1 384.488 1.254 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cccnn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575899744 950176581 /nfs/dbraw/zinc/17/65/81/950176581.db2.gz YMWUTEHSSMDSPP-BBRMVZONSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)c1noc([C@@H](C)NC[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574983002 950196353 /nfs/dbraw/zinc/19/63/53/950196353.db2.gz ITSSYQNJBOLBCS-GHMZBOCLSA-N 0 1 387.448 1.418 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574983504 950222300 /nfs/dbraw/zinc/22/23/00/950222300.db2.gz PJRCYBQMXKEKGB-NSHDSACASA-N 0 1 390.407 1.334 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]12C[C@H]1CCCC2 ZINC001574156173 950227854 /nfs/dbraw/zinc/22/78/54/950227854.db2.gz YFFDGPXTUCKXPG-PJIJBLCYSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC2(CCC2)C1 ZINC001574156167 950229511 /nfs/dbraw/zinc/22/95/11/950229511.db2.gz XYHSERBKROCVLW-CQSZACIVSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573845806 950242653 /nfs/dbraw/zinc/24/26/53/950242653.db2.gz MVPGARSTNCKUEY-GNRIBBGQSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574157739 950251798 /nfs/dbraw/zinc/25/17/98/950251798.db2.gz HRAJISVMBJVJNL-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cccc(Cl)c1F ZINC001574984009 950252427 /nfs/dbraw/zinc/25/24/27/950252427.db2.gz VFKARAGROVIKMH-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cscn1 ZINC001574157992 950267456 /nfs/dbraw/zinc/26/74/56/950267456.db2.gz MFSIGCXEROEKBV-LBPRGKRZSA-N 0 1 386.485 1.326 20 0 GDADMN CC(C)(C)OC(=O)COCCOCCNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573850500 950275611 /nfs/dbraw/zinc/27/56/11/950275611.db2.gz KIBIZXLXRRVPNR-UHFFFAOYSA-N 0 1 395.435 1.470 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001574498520 950279709 /nfs/dbraw/zinc/27/97/09/950279709.db2.gz OMWATBMNCYBVBO-VXNVDRBHSA-N 0 1 385.881 1.302 20 0 GDADMN CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2c[nH]nc2-c2nn[nH]n2)CO1 ZINC001573850917 950281844 /nfs/dbraw/zinc/28/18/44/950281844.db2.gz OZWLBYQXXSVJBT-UWVGGRQHSA-N 0 1 377.405 1.055 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905366 950290640 /nfs/dbraw/zinc/29/06/40/950290640.db2.gz BZBIVGVSAZNCQL-DGCLKSJQSA-N 0 1 392.485 1.160 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905366 950290654 /nfs/dbraw/zinc/29/06/54/950290654.db2.gz BZBIVGVSAZNCQL-DGCLKSJQSA-N 0 1 392.485 1.160 20 0 GDADMN CC1(C(=O)NCCC2(CNc3ccnc(-c4nn[nH]n4)n3)CC2)CC(F)(F)C1 ZINC001575592603 950293560 /nfs/dbraw/zinc/29/35/60/950293560.db2.gz CEHALVBRMDFGRA-UHFFFAOYSA-N 0 1 392.414 1.212 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ncccc1[O-] ZINC001575905450 950293951 /nfs/dbraw/zinc/29/39/51/950293951.db2.gz CNCOQKSAVWUZPK-IUODEOHRSA-N 0 1 379.424 1.360 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574159258 950302000 /nfs/dbraw/zinc/30/20/00/950302000.db2.gz VEAVCFWADBIOBS-CFAJVAMVSA-N 0 1 385.472 1.194 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906048 950304878 /nfs/dbraw/zinc/30/48/78/950304878.db2.gz GIOKINOGPQODRY-SKDRFNHKSA-N 0 1 375.433 1.788 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906048 950304898 /nfs/dbraw/zinc/30/48/98/950304898.db2.gz GIOKINOGPQODRY-SKDRFNHKSA-N 0 1 375.433 1.788 20 0 GDADMN 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ZINC001575596496 950377525 /nfs/dbraw/zinc/37/75/25/950377525.db2.gz SVNSZSARJPUZOM-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NCC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575596496 950377540 /nfs/dbraw/zinc/37/75/40/950377540.db2.gz SVNSZSARJPUZOM-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NCC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575596496 950377562 /nfs/dbraw/zinc/37/75/62/950377562.db2.gz SVNSZSARJPUZOM-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NCC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575596496 950377586 /nfs/dbraw/zinc/37/75/86/950377586.db2.gz SVNSZSARJPUZOM-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576198353 950405657 /nfs/dbraw/zinc/40/56/57/950405657.db2.gz SDWPGGJUVQNPRQ-KGLIPLIRSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576198353 950405669 /nfs/dbraw/zinc/40/56/69/950405669.db2.gz SDWPGGJUVQNPRQ-KGLIPLIRSA-N 0 1 387.463 1.751 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)n3)C[C@]2(C)C1 ZINC001573857533 950407887 /nfs/dbraw/zinc/40/78/87/950407887.db2.gz USRUCUYBGZHQIX-ORAYPTAESA-N 0 1 385.472 1.951 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)n3)C[C@]2(C)C1 ZINC001573857533 950407904 /nfs/dbraw/zinc/40/79/04/950407904.db2.gz USRUCUYBGZHQIX-ORAYPTAESA-N 0 1 385.472 1.951 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576199460 950426569 /nfs/dbraw/zinc/42/65/69/950426569.db2.gz ZBOZXZMOKYPSOE-AWEZNQCLSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576199460 950426585 /nfs/dbraw/zinc/42/65/85/950426585.db2.gz ZBOZXZMOKYPSOE-AWEZNQCLSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576203262 950441290 /nfs/dbraw/zinc/44/12/90/950441290.db2.gz FWTXDWXHPKESCB-NFOMZHRRSA-N 0 1 384.488 1.443 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576203262 950441299 /nfs/dbraw/zinc/44/12/99/950441299.db2.gz FWTXDWXHPKESCB-NFOMZHRRSA-N 0 1 384.488 1.443 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(F)ccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751977 950469661 /nfs/dbraw/zinc/46/96/61/950469661.db2.gz SJCZOIHKIMJIHK-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN CC(C)CCC(=O)N(C)C[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574167343 950480350 /nfs/dbraw/zinc/48/03/50/950480350.db2.gz AUJBYBDTZXMHDU-VIFPVBQESA-N 0 1 387.897 1.644 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N[C@H]1CCc2c1c(F)ccc2F ZINC001574994486 950485098 /nfs/dbraw/zinc/48/50/98/950485098.db2.gz RXQPSEPBUBAPMA-XPTSAGLGSA-N 0 1 387.394 1.868 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574508916 950491930 /nfs/dbraw/zinc/49/19/30/950491930.db2.gz QKAYXZNRARBBKG-RYUDHWBXSA-N 0 1 384.419 1.328 20 0 GDADMN 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950595847 /nfs/dbraw/zinc/59/58/47/950595847.db2.gz OUCKKVPUDVZXCH-SNVBAGLBSA-N 0 1 384.419 1.514 20 0 GDADMN CC(C)(C)OCC(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573871621 950622892 /nfs/dbraw/zinc/62/28/92/950622892.db2.gz TZHLAUVAFPSTDZ-UHFFFAOYSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575919845 950623427 /nfs/dbraw/zinc/62/34/27/950623427.db2.gz KNMRDCMFSGRLNO-HIFRSBDPSA-N 0 1 378.440 1.113 20 0 GDADMN CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1 ZINC001589743959 950637962 /nfs/dbraw/zinc/63/79/62/950637962.db2.gz GHSVWQOPXAEEQN-NGEICVOHSA-N 0 1 396.532 1.114 20 0 GDADMN CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCC(=O)[O-])CC1 ZINC001589744048 950638073 /nfs/dbraw/zinc/63/80/73/950638073.db2.gz JALUITVDGZTUCR-GOSISDBHSA-N 0 1 389.496 1.523 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575002085 950648912 /nfs/dbraw/zinc/64/89/12/950648912.db2.gz YXMPGNSUOCRXRT-MRVPVSSYSA-N 0 1 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950834339 /nfs/dbraw/zinc/83/43/39/950834339.db2.gz NHGSJYYIEBALRV-HTQZYQBOSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCc1ccon1 ZINC001574523951 950842676 /nfs/dbraw/zinc/84/26/76/950842676.db2.gz SLGCKBXRXNXXGK-VXGBXAGGSA-N 0 1 389.485 1.922 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCc1ccon1 ZINC001574523951 950842693 /nfs/dbraw/zinc/84/26/93/950842693.db2.gz SLGCKBXRXNXXGK-VXGBXAGGSA-N 0 1 389.485 1.922 20 0 GDADMN C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574767327 950845802 /nfs/dbraw/zinc/84/58/02/950845802.db2.gz QKIUQRNYECBSOT-LLVKDONJSA-N 0 1 382.428 1.197 20 0 GDADMN CC1(C)CC(CN2CC3(C2)C[C@@H](NC(=O)c2c[nH]c(-c4nn[nH]n4)c2)CO3)C1 ZINC001575639069 950856688 /nfs/dbraw/zinc/85/66/88/950856688.db2.gz ONYCCRPUKAFUEL-CQSZACIVSA-N 0 1 385.472 1.204 20 0 GDADMN CC(C)c1scnc1C(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574767890 950868266 /nfs/dbraw/zinc/86/82/66/950868266.db2.gz RCTABWBJEJXDTH-LLVKDONJSA-N 0 1 386.485 1.836 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCN1C(=O)c1ccn[nH]1 ZINC001575935549 950881041 /nfs/dbraw/zinc/88/10/41/950881041.db2.gz XWBIXBPFCBJIFC-RNFRBKRXSA-N 0 1 379.837 1.415 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576226484 950881401 /nfs/dbraw/zinc/88/14/01/950881401.db2.gz BSIDZVROLYNKQN-SWLSCSKDSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576226484 950881414 /nfs/dbraw/zinc/88/14/14/950881414.db2.gz BSIDZVROLYNKQN-SWLSCSKDSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001574527492 950890668 /nfs/dbraw/zinc/89/06/68/950890668.db2.gz CMYQEOIDBCDJMY-CHWSQXEVSA-N 0 1 381.440 1.654 20 0 GDADMN CC(C)(CC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573899711 950990254 /nfs/dbraw/zinc/99/02/54/950990254.db2.gz IWSMZFQMYMKUSL-MGCOHNPYSA-N 0 1 383.378 1.721 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001575019092 951033576 /nfs/dbraw/zinc/03/35/76/951033576.db2.gz RODFCOXQRMPFCT-LBPRGKRZSA-N 0 1 381.444 1.075 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C2CCC2)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575021676 951068007 /nfs/dbraw/zinc/06/80/07/951068007.db2.gz FXRUUPHPBQZNBZ-LBPRGKRZSA-N 0 1 378.440 1.577 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)s1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575022780 951074086 /nfs/dbraw/zinc/07/40/86/951074086.db2.gz JIHZNWRSJGPWAA-MRVPVSSYSA-N 0 1 378.849 1.272 20 0 GDADMN CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001575025322 951131318 /nfs/dbraw/zinc/13/13/18/951131318.db2.gz YAAHJCYIZLRCOI-LBPRGKRZSA-N 0 1 382.428 1.096 20 0 GDADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+]([C@H]3CCN(CC(=O)[O-])C3=O)C2)nc1C ZINC001591426619 951139946 /nfs/dbraw/zinc/13/99/46/951139946.db2.gz SCASEBAJAAWBAC-NEPJUHHUSA-N 0 1 381.454 1.103 20 0 GDADMN CCOC(=O)c1sc([C@@H]2CC[N@H+]([C@H]3CCN(CC(=O)[O-])C3=O)C2)nc1C ZINC001591426619 951139953 /nfs/dbraw/zinc/13/99/53/951139953.db2.gz SCASEBAJAAWBAC-NEPJUHHUSA-N 0 1 381.454 1.103 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(-n2cccc2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575026384 951143526 /nfs/dbraw/zinc/14/35/26/951143526.db2.gz IKHMOUYQOXRUSC-AWEZNQCLSA-N 0 1 388.435 1.705 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CO1 ZINC001595002143 951144231 /nfs/dbraw/zinc/14/42/31/951144231.db2.gz RUAYUGYEACCHJU-OKZBNKHCSA-N 0 1 392.521 1.990 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CO1 ZINC001595002143 951144236 /nfs/dbraw/zinc/14/42/36/951144236.db2.gz RUAYUGYEACCHJU-OKZBNKHCSA-N 0 1 392.521 1.990 20 0 GDADMN C[C@H](CNC(=O)c1cccc2cnccc21)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575027636 951163607 /nfs/dbraw/zinc/16/36/07/951163607.db2.gz HHGYZJRXVVZCGA-LBPRGKRZSA-N 0 1 389.423 1.105 20 0 GDADMN CC(C)c1cccc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001575028407 951172138 /nfs/dbraw/zinc/17/21/38/951172138.db2.gz WLPLOZQWRHBUOG-CYBMUJFWSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575028560 951176895 /nfs/dbraw/zinc/17/68/95/951176895.db2.gz OFQKCADUZWIRBG-CYBMUJFWSA-N 0 1 392.467 1.790 20 0 GDADMN C[C@H](CNC(=O)c1ccn(C)c1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575036444 951293754 /nfs/dbraw/zinc/29/37/54/951293754.db2.gz RUYKELFWINSANR-MRVPVSSYSA-N 0 1 380.865 1.570 20 0 GDADMN C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575036471 951295140 /nfs/dbraw/zinc/29/51/40/951295140.db2.gz SLWCUTDBMJSCJO-LBPRGKRZSA-N 0 1 383.460 1.113 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575042935 951375995 /nfs/dbraw/zinc/37/59/95/951375995.db2.gz DMFIJMLCPSNVQI-NWDGAFQWSA-N 0 1 381.444 1.008 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043427 951394413 /nfs/dbraw/zinc/39/44/13/951394413.db2.gz JACSNWSTOSXXDD-SNVBAGLBSA-N 0 1 384.469 1.504 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575043427 951394422 /nfs/dbraw/zinc/39/44/22/951394422.db2.gz JACSNWSTOSXXDD-SNVBAGLBSA-N 0 1 384.469 1.504 20 0 GDADMN C[C@H](CNC(=O)c1cncnc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575047215 951454073 /nfs/dbraw/zinc/45/40/73/951454073.db2.gz ZPHJNVIUBXUXAF-LLVKDONJSA-N 0 1 379.428 1.184 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C)c1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575052824 951471167 /nfs/dbraw/zinc/47/11/67/951471167.db2.gz OQMLPMMWWLVWBQ-ZETCQYMHSA-N 0 1 381.853 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1cnn2c1CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575053734 951484002 /nfs/dbraw/zinc/48/40/02/951484002.db2.gz DIXAJAWOTLYCBL-NSHDSACASA-N 0 1 384.419 1.057 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C)c1Cl)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575054217 951489521 /nfs/dbraw/zinc/48/95/21/951489521.db2.gz XPDZIJXVWBXDGN-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575056200 951517967 /nfs/dbraw/zinc/51/79/67/951517967.db2.gz GNEDQCSCTZRJMX-SECBINFHSA-N 0 1 377.355 1.692 20 0 GDADMN C[C@@H](CNC(=O)c1ncc(F)cc1F)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575062532 951572139 /nfs/dbraw/zinc/57/21/39/951572139.db2.gz XKDQKHKEQLAXRE-VIFPVBQESA-N 0 1 391.357 1.587 20 0 GDADMN C[C@@H](CNC(=O)c1cscn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575062848 951573848 /nfs/dbraw/zinc/57/38/48/951573848.db2.gz ZQDIWIRUKBIFBQ-LURJTMIESA-N 0 1 384.878 1.688 20 0 GDADMN C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575064808 951579958 /nfs/dbraw/zinc/57/99/58/951579958.db2.gz DIIIQCFUCBJQLE-QMMMGPOBSA-N 0 1 378.343 1.087 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1F)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067370 951608440 /nfs/dbraw/zinc/60/84/40/951608440.db2.gz LGTSUQQUKYTIIO-LLVKDONJSA-N 0 1 387.394 1.790 20 0 GDADMN C[C@@H](CNC(=O)c1sccc1CN(C)C)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575068627 951636968 /nfs/dbraw/zinc/63/69/68/951636968.db2.gz CLGDHBOMEWXVAP-NSHDSACASA-N 0 1 386.485 1.615 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575089529 951750423 /nfs/dbraw/zinc/75/04/23/951750423.db2.gz GKLUDAFVRSNOAO-OLZOCXBDSA-N 0 1 386.435 1.400 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575089901 951755828 /nfs/dbraw/zinc/75/58/28/951755828.db2.gz IIAKVADUDQVSOP-DJJJIMSYSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099211 951829322 /nfs/dbraw/zinc/82/93/22/951829322.db2.gz ISDXDKOQQJVVJQ-XFJVYGCCSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099211 951829334 /nfs/dbraw/zinc/82/93/34/951829334.db2.gz ISDXDKOQQJVVJQ-XFJVYGCCSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575099341 951831379 /nfs/dbraw/zinc/83/13/79/951831379.db2.gz KIOHAOBXIZPWKC-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575099341 951831388 /nfs/dbraw/zinc/83/13/88/951831388.db2.gz KIOHAOBXIZPWKC-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](CNC(=O)c1conc1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101068 951854080 /nfs/dbraw/zinc/85/40/80/951854080.db2.gz YWKMMPNNZDUYNP-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@@H](CNC(=O)c1conc1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101068 951854088 /nfs/dbraw/zinc/85/40/88/951854088.db2.gz YWKMMPNNZDUYNP-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(F)cn1 ZINC001575101677 951861263 /nfs/dbraw/zinc/86/12/63/951861263.db2.gz IHPQQFMOKIIJJX-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(F)cn1 ZINC001575101677 951861271 /nfs/dbraw/zinc/86/12/71/951861271.db2.gz IHPQQFMOKIIJJX-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@H+]2[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001602889148 971792537 /nfs/dbraw/zinc/79/25/37/971792537.db2.gz QDILCDIBIONEDA-MGPUTAFESA-N 0 1 395.500 1.928 20 0 GDADMN O=C([O-])CS(=O)(=O)CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC001595123871 951992444 /nfs/dbraw/zinc/99/24/44/951992444.db2.gz GMWGEPZOJJFMMZ-ZDUSSCGKSA-N 0 1 375.874 1.930 20 0 GDADMN O=C([O-])CS(=O)(=O)CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC001595123871 951992450 /nfs/dbraw/zinc/99/24/50/951992450.db2.gz GMWGEPZOJJFMMZ-ZDUSSCGKSA-N 0 1 375.874 1.930 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575143538 952154244 /nfs/dbraw/zinc/15/42/44/952154244.db2.gz QDXNHGCTQDDDQE-SFHVURJKSA-N 0 1 382.428 1.001 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575143809 952158258 /nfs/dbraw/zinc/15/82/58/952158258.db2.gz SACHDMPWYSJGAM-IBGZPJMESA-N 0 1 378.440 1.018 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575144152 952162841 /nfs/dbraw/zinc/16/28/41/952162841.db2.gz UNSSEVCJKLUBKT-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575145050 952177351 /nfs/dbraw/zinc/17/73/51/952177351.db2.gz OSFRGTYICCTSQU-DJJJIMSYSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575146646 952195532 /nfs/dbraw/zinc/19/55/32/952195532.db2.gz MQTQKBKSVYWBCA-JTQLQIEISA-N 0 1 388.382 1.589 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575164091 952287141 /nfs/dbraw/zinc/28/71/41/952287141.db2.gz BJRGEOIEOIBXOZ-IUCAKERBSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575164595 952295279 /nfs/dbraw/zinc/29/52/79/952295279.db2.gz FYYKQOMYROKHKG-UHLUBPPHSA-N 0 1 389.844 1.364 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575166200 952322247 /nfs/dbraw/zinc/32/22/47/952322247.db2.gz SVFHKRXZJPLNQR-RTHLEPHNSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](COCC(=O)NCCNc1ccncc1-c1nn[nH]n1)c1ccccc1 ZINC001575178922 952409104 /nfs/dbraw/zinc/40/91/04/952409104.db2.gz QMUKIARYQYCKOX-CQSZACIVSA-N 0 1 381.440 1.032 20 0 GDADMN CC[C@@H](SC)C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571119835 952495165 /nfs/dbraw/zinc/49/51/65/952495165.db2.gz FCTLQDWSZWMYMM-OAHLLOKOSA-N 0 1 375.502 1.476 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575201063 952500770 /nfs/dbraw/zinc/50/07/70/952500770.db2.gz GXNZSAQPSMXGBY-HWWQOWPSSA-N 0 1 381.444 1.122 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CNc1ccc(-c2nn[nH]n2)nc1)C1CC1 ZINC001575201232 952502107 /nfs/dbraw/zinc/50/21/07/952502107.db2.gz HPHJBBORKOWXAK-MEDUHNTESA-N 0 1 381.444 1.170 20 0 GDADMN CC(F)(F)CC(=O)N1C[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571120485 952506067 /nfs/dbraw/zinc/50/60/67/952506067.db2.gz NRCBTKOWDLOOTM-HUUCEWRRSA-N 0 1 376.411 1.945 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1CC(Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575201784 952506997 /nfs/dbraw/zinc/50/69/97/952506997.db2.gz QKWPWYJANWZMAG-LKSINWNRSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CNc1ncccc1-c1nn[nH]n1)C1CC1 ZINC001575202512 952512948 /nfs/dbraw/zinc/51/29/48/952512948.db2.gz ORMRNYSHKZQCOI-NHYWBVRUSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001575203362 952520743 /nfs/dbraw/zinc/52/07/43/952520743.db2.gz UWWXJSOBXUEMIF-OCCSQVGLSA-N 0 1 381.444 1.267 20 0 GDADMN Cc1nsc(N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1-c1nn[n-]n1 ZINC001571121892 952521651 /nfs/dbraw/zinc/52/16/51/952521651.db2.gz DKHFNSPORQJRDD-NSHDSACASA-N 0 1 376.490 1.129 20 0 GDADMN Cc1nsc(N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c1-c1nn[n-]n1 ZINC001571121892 952521657 /nfs/dbraw/zinc/52/16/57/952521657.db2.gz DKHFNSPORQJRDD-NSHDSACASA-N 0 1 376.490 1.129 20 0 GDADMN COC1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571122290 952525249 /nfs/dbraw/zinc/52/52/49/952525249.db2.gz IHMFDMWENXRAMS-PNESKVBLSA-N 0 1 376.486 1.291 20 0 GDADMN COC1CC(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571122290 952525252 /nfs/dbraw/zinc/52/52/52/952525252.db2.gz IHMFDMWENXRAMS-PNESKVBLSA-N 0 1 376.486 1.291 20 0 GDADMN COC1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571122290 952525255 /nfs/dbraw/zinc/52/52/55/952525255.db2.gz IHMFDMWENXRAMS-PNESKVBLSA-N 0 1 376.486 1.291 20 0 GDADMN COC1CC(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571122290 952525258 /nfs/dbraw/zinc/52/52/58/952525258.db2.gz IHMFDMWENXRAMS-PNESKVBLSA-N 0 1 376.486 1.291 20 0 GDADMN COC1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571122290 952525263 /nfs/dbraw/zinc/52/52/63/952525263.db2.gz IHMFDMWENXRAMS-PNESKVBLSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123134 952529124 /nfs/dbraw/zinc/52/91/24/952529124.db2.gz PYEXGEDMQJFUDV-MNXVOIDGSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123134 952529130 /nfs/dbraw/zinc/52/91/30/952529130.db2.gz PYEXGEDMQJFUDV-MNXVOIDGSA-N 0 1 376.486 1.338 20 0 GDADMN O=C(C[C@@H]1CCCCO1)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571124139 952533948 /nfs/dbraw/zinc/53/39/48/952533948.db2.gz ZKVYKTFHNYMMRM-OLZOCXBDSA-N 0 1 376.486 1.578 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571124184 952535224 /nfs/dbraw/zinc/53/52/24/952535224.db2.gz AIOUOSWKHFYJOH-FRRDWIJNSA-N 0 1 377.399 1.699 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C(C)(F)F ZINC001571124215 952535390 /nfs/dbraw/zinc/53/53/90/952535390.db2.gz BIPBAEGNJUGOGD-UTUOFQBUSA-N 0 1 377.399 1.448 20 0 GDADMN CC(F)(F)C(=O)NC[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001575211180 952544489 /nfs/dbraw/zinc/54/44/89/952544489.db2.gz OQJMBLJGXPUYLA-XYYAHUGASA-N 0 1 380.374 1.455 20 0 GDADMN CC1(NC(=O)C2C=CC=CC=C2)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571134364 952589399 /nfs/dbraw/zinc/58/93/99/952589399.db2.gz DXRDBXKKKPMHJO-UHFFFAOYSA-N 0 1 378.440 1.430 20 0 GDADMN Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)n1C ZINC001571135291 952601437 /nfs/dbraw/zinc/60/14/37/952601437.db2.gz VDUCOTPEJZQDGG-XMQYKBBCSA-N 0 1 378.440 1.021 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)c3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135377 952603541 /nfs/dbraw/zinc/60/35/41/952603541.db2.gz WEANAVQOHGBDOH-ZFWWWQNUSA-N 0 1 378.440 1.464 20 0 GDADMN Cc1cnc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1C ZINC001571135478 952604229 /nfs/dbraw/zinc/60/42/29/952604229.db2.gz YLLQBBDWCLXRRE-HDJSIYSDSA-N 0 1 378.440 1.316 20 0 GDADMN Cc1ncncc1C(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571141058 952630745 /nfs/dbraw/zinc/63/07/45/952630745.db2.gz GFPFJICKRFLZLZ-SJKOYZFVSA-N 0 1 378.440 1.215 20 0 GDADMN Cc1ocnc1C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142041 952637746 /nfs/dbraw/zinc/63/77/46/952637746.db2.gz OJZIQQDOVJDEMZ-HZPDHXFCSA-N 0 1 379.424 1.510 20 0 GDADMN O=C(N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2)C1CC2(CC2)C1 ZINC001571151614 952676338 /nfs/dbraw/zinc/67/63/38/952676338.db2.gz RTISRVAKXBLOPA-MRXNPFEDSA-N 0 1 379.468 1.927 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2ccn[nH]2)C3)n1 ZINC001571156623 952702640 /nfs/dbraw/zinc/70/26/40/952702640.db2.gz FJPAXRIKDASAPM-XQQFMLRXSA-N 0 1 379.428 1.398 20 0 GDADMN C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571157908 952708103 /nfs/dbraw/zinc/70/81/03/952708103.db2.gz CJAOCOPDIFQFMA-MEBBXXQBSA-N 0 1 380.412 1.122 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571159490 952719338 /nfs/dbraw/zinc/71/93/38/952719338.db2.gz WGXRGNFLGLVPCY-TZMCWYRMSA-N 0 1 380.412 1.299 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)c3conc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159514 952719453 /nfs/dbraw/zinc/71/94/53/952719453.db2.gz XDQNQOJZGWRSJP-TXEJJXNPSA-N 0 1 380.412 1.230 20 0 GDADMN Cc1occc1C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571160085 952723781 /nfs/dbraw/zinc/72/37/81/952723781.db2.gz DFOVOMDFIABCAG-OLZOCXBDSA-N 0 1 380.412 1.157 20 0 GDADMN CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CCN(Cc2cccnc2C)C1 ZINC001571167203 952771483 /nfs/dbraw/zinc/77/14/83/952771483.db2.gz YCEQREWCAKTCMW-INIZCTEOSA-N 0 1 380.456 1.635 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)Cc3ccc[nH]3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169542 952775099 /nfs/dbraw/zinc/77/50/99/952775099.db2.gz GNLSURUAVAHPAN-DZGCQCFKSA-N 0 1 380.456 1.614 20 0 GDADMN Cc1cn(C)nc1C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169725 952778693 /nfs/dbraw/zinc/77/86/93/952778693.db2.gz LHBZBKMUFRIHJE-INIZCTEOSA-N 0 1 380.456 1.303 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1C ZINC001571170062 952782882 /nfs/dbraw/zinc/78/28/82/952782882.db2.gz RVXKGMLQNJYXAR-AWEZNQCLSA-N 0 1 380.456 1.616 20 0 GDADMN C[C@@]12CN(C(=O)[C@H]3CC34CC4)C[C@]1(C)CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571170850 952789102 /nfs/dbraw/zinc/78/91/02/952789102.db2.gz XTCPPOVSFKICRS-PJSAGSTRSA-N 0 1 380.456 1.132 20 0 GDADMN CN(CC1CCN(C(=O)Cc2ccc[nH]2)CC1)c1ccncc1-c1nn[nH]n1 ZINC001571170840 952789712 /nfs/dbraw/zinc/78/97/12/952789712.db2.gz XKVHVODSHZABER-UHFFFAOYSA-N 0 1 380.456 1.507 20 0 GDADMN C[C@H](NC(=O)N[C@H](c1cccc(-c2nn[nH]n2)c1)C(F)(F)F)c1nnc[nH]1 ZINC001571171965 952800296 /nfs/dbraw/zinc/80/02/96/952800296.db2.gz JYUJYLITRYWPOX-OIBJUYFYSA-N 0 1 381.322 1.649 20 0 GDADMN Cc1ccc(CC(=O)NC2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)o1 ZINC001571180257 952859420 /nfs/dbraw/zinc/85/94/20/952859420.db2.gz NWQCMTOZMCMGLM-UHFFFAOYSA-N 0 1 381.440 1.667 20 0 GDADMN COc1cccc([C@@H](C)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571183007 952871841 /nfs/dbraw/zinc/87/18/41/952871841.db2.gz LXRQHJJEPVOUHC-DOMZBBRYSA-N 0 1 381.440 1.769 20 0 GDADMN O=C(N[C@@H]1CCN([C@@H]2CCc3c2cccc3F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183058 952872725 /nfs/dbraw/zinc/87/27/25/952872725.db2.gz NARUDWOQNODPGF-PIGZYNQJSA-N 0 1 381.415 1.826 20 0 GDADMN COc1ccc(C)cc1CN1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571183340 952876418 /nfs/dbraw/zinc/87/64/18/952876418.db2.gz XPLXIIQIEYAMSO-UHFFFAOYSA-N 0 1 381.440 1.374 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC001571183347 952876438 /nfs/dbraw/zinc/87/64/38/952876438.db2.gz XXUVBUOIAVLTEH-SUMWQHHRSA-N 0 1 381.415 1.680 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571183284 952876909 /nfs/dbraw/zinc/87/69/09/952876909.db2.gz VMEVRGIKPPAPNU-AWEZNQCLSA-N 0 1 381.440 1.982 20 0 GDADMN CCc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571184087 952888637 /nfs/dbraw/zinc/88/86/37/952888637.db2.gz PYJVGGCKASVKBV-SMDDNHRTSA-N 0 1 381.444 1.335 20 0 GDADMN CCC1(Nc2ccc(-c3nn[nH]n3)cn2)CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001571184182 952889717 /nfs/dbraw/zinc/88/97/17/952889717.db2.gz SUBFHROUJXKZNG-UHFFFAOYSA-N 0 1 381.444 1.790 20 0 GDADMN CCc1cc(C(=O)N(C)C2CC(Nc3nc(C)ccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001571184377 952891496 /nfs/dbraw/zinc/89/14/96/952891496.db2.gz XYKHEPKXFUKBEX-UHFFFAOYSA-N 0 1 381.444 1.571 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571184338 952892189 /nfs/dbraw/zinc/89/21/89/952892189.db2.gz WUVFWTJHWJSGIW-ZDUSSCGKSA-N 0 1 381.444 1.295 20 0 GDADMN Cc1c(C(=O)N[C@H]2CC[C@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571184634 952894619 /nfs/dbraw/zinc/89/46/19/952894619.db2.gz BZODGWOCPUSYLM-AAEUAGOBSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)c(C)[nH]1 ZINC001571187684 952909028 /nfs/dbraw/zinc/90/90/28/952909028.db2.gz AOHWBJLDGRZKFK-ZDUSSCGKSA-N 0 1 381.444 1.246 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[nH]n4)c(C)n3)C2)n[nH]1 ZINC001571188413 952915037 /nfs/dbraw/zinc/91/50/37/952915037.db2.gz KKNOEOOOEVEWMG-CYBMUJFWSA-N 0 1 381.444 1.566 20 0 GDADMN O=C(Cc1ccn[nH]1)N1CCC[C@H](CCNc2ncccc2-c2nn[nH]n2)C1 ZINC001571188976 952922781 /nfs/dbraw/zinc/92/27/81/952922781.db2.gz LCZCPFAOQXRUDQ-CYBMUJFWSA-N 0 1 381.444 1.268 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)(F)F ZINC001571194253 952959316 /nfs/dbraw/zinc/95/93/16/952959316.db2.gz KMDGAZYCMPMLKT-MFKMUULPSA-N 0 1 382.390 1.988 20 0 GDADMN O=c1cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001571194425 952962960 /nfs/dbraw/zinc/96/29/60/952962960.db2.gz MGLSECPYPUCIII-SECBINFHSA-N 0 1 382.350 1.779 20 0 GDADMN C[C@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2cncc(F)c2)C1 ZINC001571196967 952986423 /nfs/dbraw/zinc/98/64/23/952986423.db2.gz QXNOWAIFOJKHCJ-GOSISDBHSA-N 0 1 382.403 1.182 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571197374 952990018 /nfs/dbraw/zinc/99/00/18/952990018.db2.gz YGTRUJSHNILSRQ-FZMZJTMJSA-N 0 1 382.403 1.583 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccon1 ZINC001571199779 953003971 /nfs/dbraw/zinc/00/39/71/953003971.db2.gz BRKFMVMZYVHCNN-TZMCWYRMSA-N 0 1 382.428 1.096 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001571200508 953009982 /nfs/dbraw/zinc/00/99/82/953009982.db2.gz JFQKDIWWAJQPHE-RYUDHWBXSA-N 0 1 382.403 1.228 20 0 GDADMN Cc1cc(NCC[C@@H]2CCCN(C(=O)c3cocn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571201985 953021635 /nfs/dbraw/zinc/02/16/35/953021635.db2.gz PSYNIRSQBJSCQI-ZDUSSCGKSA-N 0 1 382.428 1.334 20 0 GDADMN Cc1ccc([C@H](C)C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)o1 ZINC001571202619 953027363 /nfs/dbraw/zinc/02/73/63/953027363.db2.gz VXHPGNHRSQAXHF-ZDUSSCGKSA-N 0 1 382.428 1.401 20 0 GDADMN Cc1cc(N[C@H]2CC[C@H](NC(=O)Cc3cnoc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202803 953029017 /nfs/dbraw/zinc/02/90/17/953029017.db2.gz YXGOHRITNYDPQC-HDJSIYSDSA-N 0 1 382.428 1.062 20 0 GDADMN O=C(C[C@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1nn[nH]n1 ZINC001571209759 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397.483 1.041 20 0 GDADMN CN(C)[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000736760999 598398846 /nfs/dbraw/zinc/39/88/46/598398846.db2.gz SJXCPYIWURGHET-AWEZNQCLSA-N 0 1 399.480 1.077 20 0 GDADMN c1nn2cc(C[NH2+]CCCc3nc4c(s3)CCCC4)cnc2c1-c1nnn[n-]1 ZINC000738452625 598424425 /nfs/dbraw/zinc/42/44/25/598424425.db2.gz RMFRKJDWHIMPJP-UHFFFAOYSA-N 0 1 395.496 1.967 20 0 GDADMN c1nn2cc(C[NH2+]CCCc3nc4c(s3)CCCC4)cnc2c1-c1nn[n-]n1 ZINC000738452625 598424427 /nfs/dbraw/zinc/42/44/27/598424427.db2.gz RMFRKJDWHIMPJP-UHFFFAOYSA-N 0 1 395.496 1.967 20 0 GDADMN Cc1csc(=O)n1CCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737456764 598431486 /nfs/dbraw/zinc/43/14/86/598431486.db2.gz JILOIATYVDEOJU-UHFFFAOYSA-N 0 1 385.497 1.216 20 0 GDADMN c1ccc(-c2nn[nH]n2)c(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000738423122 598432333 /nfs/dbraw/zinc/43/23/33/598432333.db2.gz NYUMOKRNGASZSY-UHFFFAOYSA-N 0 1 392.463 1.956 20 0 GDADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NC(=O)NC1CCCCC1 ZINC000737983770 598503468 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CCN(CC)C(=O)CN1CCCN(c2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000736528563 598633213 /nfs/dbraw/zinc/63/32/13/598633213.db2.gz ACGXGZVWKVQFMZ-UHFFFAOYSA-N 0 1 391.907 1.901 20 0 GDADMN Cc1nnc(N2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737520080 598673435 /nfs/dbraw/zinc/67/34/35/598673435.db2.gz HOUATYZXXQDXKG-GUYCJALGSA-N 0 1 394.483 1.518 20 0 GDADMN O=C(NCc1ccco1)c1cccc(Cn2cccc(-c3nn[nH]n3)c2=O)c1 ZINC000738123046 598676641 /nfs/dbraw/zinc/67/66/41/598676641.db2.gz DMTIFIULJUXSBO-UHFFFAOYSA-N 0 1 376.376 1.600 20 0 GDADMN COc1ccc(OC)c(CN(CCO)CCOc2ccccc2-c2nn[nH]n2)c1 ZINC000737109877 598705743 /nfs/dbraw/zinc/70/57/43/598705743.db2.gz OQUVJXMQHRNJGL-UHFFFAOYSA-N 0 1 399.451 1.757 20 0 GDADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NC(=O)Nc1ccccc1 ZINC000737983746 598720306 /nfs/dbraw/zinc/72/03/06/598720306.db2.gz ZBLFDBFNMDHHNF-UHFFFAOYSA-N 0 1 389.375 1.530 20 0 GDADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)NC[C@@H]1CCCO1 ZINC000737982859 598722180 /nfs/dbraw/zinc/72/21/80/598722180.db2.gz SIEOQPURRBLZMX-NSHDSACASA-N 0 1 388.815 1.130 20 0 GDADMN CC1(C)C[C@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736212375 598779279 /nfs/dbraw/zinc/77/92/79/598779279.db2.gz XAVCNQOBCFQVAS-LBPRGKRZSA-N 0 1 386.460 1.610 20 0 GDADMN CN1C(=O)COc2ccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)cc21 ZINC000821620318 599306467 /nfs/dbraw/zinc/30/64/67/599306467.db2.gz FQIZTNXIDGNCPH-UHFFFAOYSA-N 0 1 386.393 1.023 20 0 GDADMN O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000823607177 599345880 /nfs/dbraw/zinc/34/58/80/599345880.db2.gz RLBBWQCSNILUHY-ZDUSSCGKSA-N 0 1 394.476 1.645 20 0 GDADMN O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000823607177 599345882 /nfs/dbraw/zinc/34/58/82/599345882.db2.gz RLBBWQCSNILUHY-ZDUSSCGKSA-N 0 1 394.476 1.645 20 0 GDADMN Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2NCCCCN1CCOCC1 ZINC000822774310 599481952 /nfs/dbraw/zinc/48/19/52/599481952.db2.gz JTXJIKIIDINIEW-UHFFFAOYSA-N 0 1 389.410 1.639 20 0 GDADMN COCC(=O)Nc1cccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000736966409 599482550 /nfs/dbraw/zinc/48/25/50/599482550.db2.gz OSEJUSBJPPNUPG-UHFFFAOYSA-N 0 1 392.423 1.389 20 0 GDADMN COc1cc(CCNC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)ccc1OC(F)F ZINC000262646817 599707757 /nfs/dbraw/zinc/70/77/57/599707757.db2.gz IMUUDKPEURUKCD-CYBMUJFWSA-N 0 1 386.395 1.752 20 0 GDADMN CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000573254163 599713316 /nfs/dbraw/zinc/71/33/16/599713316.db2.gz RVXSIFAJZNOQNX-BNOWGMLFSA-N 0 1 378.429 1.253 20 0 GDADMN CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737370391 599715448 /nfs/dbraw/zinc/71/54/48/599715448.db2.gz QAXAGHYYLSFLTC-UHFFFAOYSA-N 0 1 377.894 1.152 20 0 GDADMN CC(C)COC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736443204 599716519 /nfs/dbraw/zinc/71/65/19/599716519.db2.gz GJYFHOYMCHKQRJ-HNNXBMFYSA-N 0 1 383.489 1.498 20 0 GDADMN CC(C)COC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736443204 599716520 /nfs/dbraw/zinc/71/65/20/599716520.db2.gz GJYFHOYMCHKQRJ-HNNXBMFYSA-N 0 1 383.489 1.498 20 0 GDADMN CN1CC[NH+](Cc2ccc(CNS(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC000737528246 599770987 /nfs/dbraw/zinc/77/09/87/599770987.db2.gz AGOPCABPORWNBZ-UHFFFAOYSA-N 0 1 393.465 1.204 20 0 GDADMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000736776254 599792900 /nfs/dbraw/zinc/79/29/00/599792900.db2.gz VGYCANPAESGVOB-OKILXGFUSA-N 0 1 376.457 1.885 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000737348722 599795523 /nfs/dbraw/zinc/79/55/23/599795523.db2.gz UZRMBGJEVBMMNK-OAHLLOKOSA-N 0 1 380.420 1.588 20 0 GDADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000676214899 599810100 /nfs/dbraw/zinc/81/01/00/599810100.db2.gz UHKKISFQDVEOCJ-QAPCUYQASA-N 0 1 376.453 1.865 20 0 GDADMN Cc1cc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1C(=O)[O-] ZINC000738442211 599821671 /nfs/dbraw/zinc/82/16/71/599821671.db2.gz SIATYXUWBGBXRV-INIZCTEOSA-N 0 1 376.457 1.757 20 0 GDADMN C[N@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](CO)c1ccccc1 ZINC000737392804 599885786 /nfs/dbraw/zinc/88/57/86/599885786.db2.gz HZVOYOVKSBYDJW-PMACEKPBSA-N 0 1 395.459 1.945 20 0 GDADMN C[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](CO)c1ccccc1 ZINC000737392804 599885787 /nfs/dbraw/zinc/88/57/87/599885787.db2.gz HZVOYOVKSBYDJW-PMACEKPBSA-N 0 1 395.459 1.945 20 0 GDADMN CC(C)C[C@H](NC(=O)CN1CC[N@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000736413342 599958900 /nfs/dbraw/zinc/95/89/00/599958900.db2.gz SEVJZKTXHLLKMS-NZSAHSFTSA-N 0 1 391.512 1.342 20 0 GDADMN CC(C)C[C@H](NC(=O)CN1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000736413342 599958902 /nfs/dbraw/zinc/95/89/02/599958902.db2.gz SEVJZKTXHLLKMS-NZSAHSFTSA-N 0 1 391.512 1.342 20 0 GDADMN O=C([O-])C1(NC(=O)CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCCCC1 ZINC000739290705 599959204 /nfs/dbraw/zinc/95/92/04/599959204.db2.gz YIVBAVZHHZLBKW-SFHVURJKSA-N 0 1 389.496 1.241 20 0 GDADMN COCC[N@@H+](C)CCNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000737766459 600001253 /nfs/dbraw/zinc/00/12/53/600001253.db2.gz ZGTJZCFTGGEYRV-HNNXBMFYSA-N 0 1 378.473 1.183 20 0 GDADMN COC(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc(C(=O)[O-])c1 ZINC000737665223 600027874 /nfs/dbraw/zinc/02/78/74/600027874.db2.gz DZNAJFIBROPKIO-LBPRGKRZSA-N 0 1 391.424 1.087 20 0 GDADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc(C(=O)[O-])c1 ZINC000737665223 600027878 /nfs/dbraw/zinc/02/78/78/600027878.db2.gz DZNAJFIBROPKIO-LBPRGKRZSA-N 0 1 391.424 1.087 20 0 GDADMN O=C([O-])C1CCC(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000739402354 600031834 /nfs/dbraw/zinc/03/18/34/600031834.db2.gz JYMMNDQTOFBDGG-VMWRSERWSA-N 0 1 375.469 1.348 20 0 GDADMN Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1C(=O)[O-] ZINC000738405608 600046858 /nfs/dbraw/zinc/04/68/58/600046858.db2.gz DLSRXPCHLLGKIL-MRXNPFEDSA-N 0 1 389.452 1.345 20 0 GDADMN CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000737115973 600047957 /nfs/dbraw/zinc/04/79/57/600047957.db2.gz SPOHCFXMBLLTHE-HNNXBMFYSA-N 0 1 379.482 1.543 20 0 GDADMN CC(C)C[C@@H](NC(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)C(=O)[O-] ZINC000736414548 600083824 /nfs/dbraw/zinc/08/38/24/600083824.db2.gz YZHXGDZJRSSWTG-GOSISDBHSA-N 0 1 389.496 1.630 20 0 GDADMN CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CC1 ZINC000737350733 600098378 /nfs/dbraw/zinc/09/83/78/600098378.db2.gz SRUCNXXULYRQES-UHFFFAOYSA-N 0 1 377.445 1.475 20 0 GDADMN CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000737349857 600098476 /nfs/dbraw/zinc/09/84/76/600098476.db2.gz IEAJFGQZLMPTCR-UHFFFAOYSA-N 0 1 376.457 1.079 20 0 GDADMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000164523818 600128367 /nfs/dbraw/zinc/12/83/67/600128367.db2.gz SGIIUABDZKYORM-MRXNPFEDSA-N 0 1 379.888 1.781 20 0 GDADMN CC[C@]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)(C(=O)[O-])c1ccccc1 ZINC000736916510 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C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820760980 606168334 /nfs/dbraw/zinc/16/83/34/606168334.db2.gz VBPSFWAMRZKZDN-BBRMVZONSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820760980 606168335 /nfs/dbraw/zinc/16/83/35/606168335.db2.gz VBPSFWAMRZKZDN-BBRMVZONSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820760980 606168336 /nfs/dbraw/zinc/16/83/36/606168336.db2.gz VBPSFWAMRZKZDN-BBRMVZONSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820760980 606168337 /nfs/dbraw/zinc/16/83/37/606168337.db2.gz VBPSFWAMRZKZDN-BBRMVZONSA-N 0 1 395.471 1.632 20 0 GDADMN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3-c3nn[nH]n3)ccc21 ZINC000819797333 606177895 /nfs/dbraw/zinc/17/78/95/606177895.db2.gz ZWJZCUXILCGLOM-UHFFFAOYSA-N 0 1 398.448 1.967 20 0 GDADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819922589 606189049 /nfs/dbraw/zinc/18/90/49/606189049.db2.gz MQPPKJHIFZLGIU-UHFFFAOYSA-N 0 1 399.499 1.223 20 0 GDADMN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)ccc1F ZINC000819810820 606211441 /nfs/dbraw/zinc/21/14/41/606211441.db2.gz QWFXTJIHNSCOJO-UHFFFAOYSA-N 0 1 392.372 1.471 20 0 GDADMN COC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)c1C ZINC000821669970 606211761 /nfs/dbraw/zinc/21/17/61/606211761.db2.gz HHXYOPHIQNQGKS-UHFFFAOYSA-N 0 1 389.393 1.468 20 0 GDADMN O=C(NCCc1nc[nH]n1)c1cccc(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823229271 606286701 /nfs/dbraw/zinc/28/67/01/606286701.db2.gz KBQNRHLDUALMKZ-UHFFFAOYSA-N 0 1 375.396 1.701 20 0 GDADMN CN1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C2(CCCCC2)C1 ZINC000821625484 606290791 /nfs/dbraw/zinc/29/07/91/606290791.db2.gz OXUIBITZDHSORU-UHFFFAOYSA-N 0 1 397.483 1.073 20 0 GDADMN Cc1c(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)cnn1[C@H]1CCOC1 ZINC000530138182 649965198 /nfs/dbraw/zinc/96/51/98/649965198.db2.gz LGLNRAJJDARMFA-VIFPVBQESA-N 0 1 379.364 1.706 20 0 GDADMN CC(C)(C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000530140690 649965931 /nfs/dbraw/zinc/96/59/31/649965931.db2.gz JPZXXNFGRJHWTK-UHFFFAOYSA-N 0 1 381.376 1.270 20 0 GDADMN O=C([C@@H]1CC12CCOCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822917227 606379167 /nfs/dbraw/zinc/37/91/67/606379167.db2.gz QHKFUVFFWJVSOZ-ZDUSSCGKSA-N 0 1 399.455 1.197 20 0 GDADMN Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000822694152 606411302 /nfs/dbraw/zinc/41/13/02/606411302.db2.gz XFEHEMMAMBCVFI-CYBMUJFWSA-N 0 1 387.391 1.592 20 0 GDADMN Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000822694152 606411303 /nfs/dbraw/zinc/41/13/03/606411303.db2.gz XFEHEMMAMBCVFI-CYBMUJFWSA-N 0 1 387.391 1.592 20 0 GDADMN Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC000822694153 606411561 /nfs/dbraw/zinc/41/15/61/606411561.db2.gz XFEHEMMAMBCVFI-ZDUSSCGKSA-N 0 1 387.391 1.592 20 0 GDADMN Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC000822694153 606411562 /nfs/dbraw/zinc/41/15/62/606411562.db2.gz XFEHEMMAMBCVFI-ZDUSSCGKSA-N 0 1 387.391 1.592 20 0 GDADMN O=C(CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccccn2)CC1 ZINC000822968877 606415187 /nfs/dbraw/zinc/41/51/87/606415187.db2.gz DEUWTOLJQZTMHX-UHFFFAOYSA-N 0 1 398.496 1.152 20 0 GDADMN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821575731 606461973 /nfs/dbraw/zinc/46/19/73/606461973.db2.gz NHKHVHRZGYDGHF-LBPRGKRZSA-N 0 1 378.868 1.270 20 0 GDADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821575731 606461974 /nfs/dbraw/zinc/46/19/74/606461974.db2.gz NHKHVHRZGYDGHF-LBPRGKRZSA-N 0 1 378.868 1.270 20 0 GDADMN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821575731 606461976 /nfs/dbraw/zinc/46/19/76/606461976.db2.gz NHKHVHRZGYDGHF-LBPRGKRZSA-N 0 1 378.868 1.270 20 0 GDADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821575731 606461978 /nfs/dbraw/zinc/46/19/78/606461978.db2.gz NHKHVHRZGYDGHF-LBPRGKRZSA-N 0 1 378.868 1.270 20 0 GDADMN CN1CCN(C[C@H](NC(=O)c2cc(-c3nn[nH]n3)cs2)c2ccccc2)CC1 ZINC000821627263 606505812 /nfs/dbraw/zinc/50/58/12/606505812.db2.gz UNAKHOJKTHPOIP-INIZCTEOSA-N 0 1 397.508 1.647 20 0 GDADMN CCn1nc(C)cc1NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000530158116 649967084 /nfs/dbraw/zinc/96/70/84/649967084.db2.gz QQFACCHYWDTMEE-UHFFFAOYSA-N 0 1 384.483 1.552 20 0 GDADMN CCC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)CC1 ZINC000820944303 606522736 /nfs/dbraw/zinc/52/27/36/606522736.db2.gz KBOAORRSXHTGKK-UHFFFAOYSA-N 0 1 383.412 1.954 20 0 GDADMN O=C1NC[C@@H]2CN(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)CCN12 ZINC000823540372 606523737 /nfs/dbraw/zinc/52/37/37/606523737.db2.gz BPHOQSZDSMJDEG-MRXNPFEDSA-N 0 1 375.436 1.743 20 0 GDADMN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820684217 606542667 /nfs/dbraw/zinc/54/26/67/606542667.db2.gz NMCOIRCDLXCPTJ-KBPBESRZSA-N 0 1 389.529 1.559 20 0 GDADMN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820684217 606542669 /nfs/dbraw/zinc/54/26/69/606542669.db2.gz NMCOIRCDLXCPTJ-KBPBESRZSA-N 0 1 389.529 1.559 20 0 GDADMN CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821573605 606556588 /nfs/dbraw/zinc/55/65/88/606556588.db2.gz XHEWCQJNYXUMCK-UHFFFAOYSA-N 0 1 386.485 1.361 20 0 GDADMN C[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820349823 606601297 /nfs/dbraw/zinc/60/12/97/606601297.db2.gz IXRCAKZISZEVAP-HUUCEWRRSA-N 0 1 385.472 1.291 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000821601624 606700942 /nfs/dbraw/zinc/70/09/42/606700942.db2.gz QTEUHHMAGQDIFT-UHFFFAOYSA-N 0 1 398.406 1.426 20 0 GDADMN COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000821831916 606702333 /nfs/dbraw/zinc/70/23/33/606702333.db2.gz SKCMWJHNOXCFDO-NSHDSACASA-N 0 1 399.459 1.072 20 0 GDADMN COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000821831916 606702334 /nfs/dbraw/zinc/70/23/34/606702334.db2.gz SKCMWJHNOXCFDO-NSHDSACASA-N 0 1 399.459 1.072 20 0 GDADMN CN(C)Cc1ccsc1C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000821588505 606720137 /nfs/dbraw/zinc/72/01/37/606720137.db2.gz WFOFPBSRKYZFQR-UHFFFAOYSA-N 0 1 398.496 1.347 20 0 GDADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1Cl)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000823290064 606737363 /nfs/dbraw/zinc/73/73/63/606737363.db2.gz TWQRGMKYUNOQJN-JSGCOSHPSA-N 0 1 389.847 1.202 20 0 GDADMN C[C@@H](NC[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cn(-c2ccccc2)nn1 ZINC000820419732 606741798 /nfs/dbraw/zinc/74/17/98/606741798.db2.gz JQSYOMVCWGNOHL-CHWSQXEVSA-N 0 1 391.443 1.036 20 0 GDADMN Cc1n[nH]c([C@H]2CCCN([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)n1 ZINC000822437164 606755671 /nfs/dbraw/zinc/75/56/71/606755671.db2.gz XFAJNVRDVVNERQ-HOCLYGCPSA-N 0 1 393.455 1.278 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1-c1nn[nH]n1 ZINC000821979523 606817153 /nfs/dbraw/zinc/81/71/53/606817153.db2.gz SNTUHYMDTZFAOY-ZBEGNZNMSA-N 0 1 378.458 1.360 20 0 GDADMN Cc1nn(C)c(C)c1CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822492523 606886923 /nfs/dbraw/zinc/88/69/23/606886923.db2.gz ZPLXKHCJNVGMRM-UHFFFAOYSA-N 0 1 397.411 1.016 20 0 GDADMN O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@@H](N2CCCC2)C1 ZINC000823595114 606889875 /nfs/dbraw/zinc/88/98/75/606889875.db2.gz XBFLYMODMJQCIW-LLVKDONJSA-N 0 1 384.412 1.004 20 0 GDADMN CCO[C@H]1C[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C12CCC2 ZINC000821362257 606892190 /nfs/dbraw/zinc/89/21/90/606892190.db2.gz YWVLAOUUSPAULR-STQMWFEESA-N 0 1 399.423 1.771 20 0 GDADMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821572210 606908824 /nfs/dbraw/zinc/90/88/24/606908824.db2.gz VYRDBYMZAUFZMS-HOTGVXAUSA-N 0 1 388.472 1.841 20 0 GDADMN CCCCN(CCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821064859 606924792 /nfs/dbraw/zinc/92/47/92/606924792.db2.gz BATYEMIVWPXQSY-MRXNPFEDSA-N 0 1 393.513 1.925 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCc2nc(C)c(C)s2)cc1-c1nn[nH]n1 ZINC000821979785 606967991 /nfs/dbraw/zinc/96/79/91/606967991.db2.gz XDKPTVWJMKPYIG-UHFFFAOYSA-N 0 1 391.482 1.735 20 0 GDADMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820563031 607062231 /nfs/dbraw/zinc/06/22/31/607062231.db2.gz LTMYDRHLTIGIPE-NSHDSACASA-N 0 1 390.444 1.846 20 0 GDADMN CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1N1CCOCC1 ZINC000820993914 607177373 /nfs/dbraw/zinc/17/73/73/607177373.db2.gz BZXDKABBQPEUOW-IIDMSEBBSA-N 0 1 399.499 1.236 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 ZINC000823136315 607208476 /nfs/dbraw/zinc/20/84/76/607208476.db2.gz VGQVLDHJVVYBJY-UHFFFAOYSA-N 0 1 390.411 1.366 20 0 GDADMN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819817377 607210972 /nfs/dbraw/zinc/21/09/72/607210972.db2.gz CQVITDDSUHOTNM-UHFFFAOYSA-N 0 1 395.305 1.074 20 0 GDADMN Cc1ccc(-c2nc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)sc2C)s1 ZINC000822214288 607214570 /nfs/dbraw/zinc/21/45/70/607214570.db2.gz YMBFXHNFRXKNTH-UHFFFAOYSA-N 0 1 387.454 1.899 20 0 GDADMN O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822941301 607215316 /nfs/dbraw/zinc/21/53/16/607215316.db2.gz UAXBSLBCNMKMJH-LBPRGKRZSA-N 0 1 393.411 1.392 20 0 GDADMN CC(C)(CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(F)cc1Cl ZINC000819981109 607216676 /nfs/dbraw/zinc/21/66/76/607216676.db2.gz MTQVJZLMGFCGDO-UHFFFAOYSA-N 0 1 378.799 1.345 20 0 GDADMN Cc1ccccc1COc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822361722 607217041 /nfs/dbraw/zinc/21/70/41/607217041.db2.gz HPBFGQWKSFYHEY-UHFFFAOYSA-N 0 1 390.407 1.984 20 0 GDADMN CC[C@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)Oc1ccccc1Cl ZINC000820908543 607221649 /nfs/dbraw/zinc/22/16/49/607221649.db2.gz NKXMEWTZUTURSU-SNVBAGLBSA-N 0 1 376.808 1.085 20 0 GDADMN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820819730 607222707 /nfs/dbraw/zinc/22/27/07/607222707.db2.gz KAOWZDDCOUEHBM-MRVPVSSYSA-N 0 1 393.238 1.911 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Cl)c(Br)c1 ZINC000823131670 607223584 /nfs/dbraw/zinc/22/35/84/607223584.db2.gz LRXPVTKUAKPVLY-UHFFFAOYSA-N 0 1 383.597 1.513 20 0 GDADMN CCN1CCN(C(=O)CCCOc2ccc(-c3nn[nH]n3)cc2OC)C[C@@H]1C ZINC000825458245 607824628 /nfs/dbraw/zinc/82/46/28/607824628.db2.gz BDMAREMXZJGNAI-AWEZNQCLSA-N 0 1 388.472 1.587 20 0 GDADMN CCN1CCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000825459438 607831739 /nfs/dbraw/zinc/83/17/39/607831739.db2.gz KOXMYZZGLKPISY-RYUDHWBXSA-N 0 1 377.880 1.873 20 0 GDADMN CO[C@@H]1CC[C@H]2OCCN(CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)[C@H]2C1 ZINC000826146196 607858255 /nfs/dbraw/zinc/85/82/55/607858255.db2.gz RMTBLIZWMNNIQD-IXDOHACOSA-N 0 1 386.456 1.464 20 0 GDADMN CN(CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000825892138 607859798 /nfs/dbraw/zinc/85/97/98/607859798.db2.gz GYPFRZNPCYCYST-CJNGLKHVSA-N 0 1 396.455 1.084 20 0 GDADMN Cn1ccnc1[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826363923 607958670 /nfs/dbraw/zinc/95/86/70/607958670.db2.gz GBSVFCJAGWGGQG-GDBMZVCRSA-N 0 1 378.440 1.195 20 0 GDADMN CCC(CC)n1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)n1 ZINC000825113738 608020183 /nfs/dbraw/zinc/02/01/83/608020183.db2.gz FCOCSDGBNGNGLP-UHFFFAOYSA-N 0 1 386.464 1.552 20 0 GDADMN CCC(CC)n1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)n1 ZINC000825113738 608020184 /nfs/dbraw/zinc/02/01/84/608020184.db2.gz FCOCSDGBNGNGLP-UHFFFAOYSA-N 0 1 386.464 1.552 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(CCOC)CCCC2)c1-c1nnn[n-]1 ZINC000826073485 608020225 /nfs/dbraw/zinc/02/02/25/608020225.db2.gz ULFLRPGGXOUDCM-UHFFFAOYSA-N 0 1 376.465 1.277 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(CCOC)CCCC2)c1-c1nn[n-]n1 ZINC000826073485 608020226 /nfs/dbraw/zinc/02/02/26/608020226.db2.gz ULFLRPGGXOUDCM-UHFFFAOYSA-N 0 1 376.465 1.277 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826077531 608020430 /nfs/dbraw/zinc/02/04/30/608020430.db2.gz LEAYKDOSNHKZDC-ZHACJKMWSA-N 0 1 384.419 1.923 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826077531 608020431 /nfs/dbraw/zinc/02/04/31/608020431.db2.gz LEAYKDOSNHKZDC-ZHACJKMWSA-N 0 1 384.419 1.923 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826077165 608021765 /nfs/dbraw/zinc/02/17/65/608021765.db2.gz BWXDEKPNHJKASR-CHWSQXEVSA-N 0 1 384.419 1.623 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826077165 608021766 /nfs/dbraw/zinc/02/17/66/608021766.db2.gz BWXDEKPNHJKASR-CHWSQXEVSA-N 0 1 384.419 1.623 20 0 GDADMN CCOC(=O)C[C@H](C)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825499734 608026578 /nfs/dbraw/zinc/02/65/78/608026578.db2.gz SRCWBNGHOKENHB-QMMMGPOBSA-N 0 1 389.384 1.013 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000825933767 608033948 /nfs/dbraw/zinc/03/39/48/608033948.db2.gz GAOCUJBHWBWPHI-CYBMUJFWSA-N 0 1 397.443 1.062 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000825933767 608033949 /nfs/dbraw/zinc/03/39/49/608033949.db2.gz GAOCUJBHWBWPHI-CYBMUJFWSA-N 0 1 397.443 1.062 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000825933767 608033950 /nfs/dbraw/zinc/03/39/50/608033950.db2.gz GAOCUJBHWBWPHI-CYBMUJFWSA-N 0 1 397.443 1.062 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000825933767 608033951 /nfs/dbraw/zinc/03/39/51/608033951.db2.gz GAOCUJBHWBWPHI-CYBMUJFWSA-N 0 1 397.443 1.062 20 0 GDADMN CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@@H]1O ZINC000825210688 608044967 /nfs/dbraw/zinc/04/49/67/608044967.db2.gz IWVCQSOCNUPJNU-AAEUAGOBSA-N 0 1 390.513 1.838 20 0 GDADMN CC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@@H]1O ZINC000825210688 608044968 /nfs/dbraw/zinc/04/49/68/608044968.db2.gz IWVCQSOCNUPJNU-AAEUAGOBSA-N 0 1 390.513 1.838 20 0 GDADMN COc1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)ccn1 ZINC000826179625 608104566 /nfs/dbraw/zinc/10/45/66/608104566.db2.gz WRCVNTXQBDIMEG-UHFFFAOYSA-N 0 1 382.428 1.458 20 0 GDADMN CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000824207108 608194580 /nfs/dbraw/zinc/19/45/80/608194580.db2.gz PVOFPBHSXAINDD-SJKOYZFVSA-N 0 1 381.440 1.667 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000826175891 608202632 /nfs/dbraw/zinc/20/26/32/608202632.db2.gz UGMLBVNTFGYHRO-KBPBESRZSA-N 0 1 388.472 1.585 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000826175893 608203040 /nfs/dbraw/zinc/20/30/40/608203040.db2.gz UGMLBVNTFGYHRO-UONOGXRCSA-N 0 1 388.472 1.585 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000825739467 608204720 /nfs/dbraw/zinc/20/47/20/608204720.db2.gz DURKXTRCOCWDMN-BXUZGUMPSA-N 0 1 381.444 1.393 20 0 GDADMN C[C@@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000824563137 608425608 /nfs/dbraw/zinc/42/56/08/608425608.db2.gz LWENWCOGENTIEY-CYBMUJFWSA-N 0 1 394.435 1.605 20 0 GDADMN COc1ccc([C@@H](C)NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826187687 608428205 /nfs/dbraw/zinc/42/82/05/608428205.db2.gz BMUJOAYZSJEVQO-GFCCVEGCSA-N 0 1 384.415 1.981 20 0 GDADMN O=S(=O)(CCN[C@H](CCO)c1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484739 608433068 /nfs/dbraw/zinc/43/30/68/608433068.db2.gz NUSUGDBVEPVMST-QGZVFWFLSA-N 0 1 387.465 1.354 20 0 GDADMN C[C@@H]([NH2+]Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824626160 608450309 /nfs/dbraw/zinc/45/03/09/608450309.db2.gz MVEKQVPDFZOTGG-CYBMUJFWSA-N 0 1 393.451 1.770 20 0 GDADMN C[C@@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824626160 608450310 /nfs/dbraw/zinc/45/03/10/608450310.db2.gz MVEKQVPDFZOTGG-CYBMUJFWSA-N 0 1 393.451 1.770 20 0 GDADMN COCCN(CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000826158674 608451065 /nfs/dbraw/zinc/45/10/65/608451065.db2.gz YLNCWVKUGKEEOD-UHFFFAOYSA-N 0 1 382.490 1.901 20 0 GDADMN COCCN(CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000826158674 608451067 /nfs/dbraw/zinc/45/10/67/608451067.db2.gz YLNCWVKUGKEEOD-UHFFFAOYSA-N 0 1 382.490 1.901 20 0 GDADMN C[C@H](CN1CCOCC1)C(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824412986 608480052 /nfs/dbraw/zinc/48/00/52/608480052.db2.gz ICBSLMPVWCMIKK-OAHLLOKOSA-N 0 1 382.468 1.451 20 0 GDADMN C[C@@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1sccc1C(N)=O ZINC000824532844 608487766 /nfs/dbraw/zinc/48/77/66/608487766.db2.gz XEBZWDYJOZAQQB-VHSXEESVSA-N 0 1 385.453 1.705 20 0 GDADMN CNC(=O)[C@@H](NC(=O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000826051848 608491444 /nfs/dbraw/zinc/49/14/44/608491444.db2.gz OGCAYUPHCQFVLV-UGSOOPFHSA-N 0 1 393.451 1.121 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2cccc(-c3nn[nH]n3)c2)CCC1=O ZINC000824865706 608545592 /nfs/dbraw/zinc/54/55/92/608545592.db2.gz JBDNHEAGTCZXBT-RHSMWYFYSA-N 0 1 384.484 1.762 20 0 GDADMN O=C(CNC1(c2ccc3c(c2)OCO3)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826412147 608555618 /nfs/dbraw/zinc/55/56/18/608555618.db2.gz CXKZCPBPHVCDIY-UHFFFAOYSA-N 0 1 378.392 1.813 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cccc(OC(C)(C)C)n1 ZINC000825935278 608582889 /nfs/dbraw/zinc/58/28/89/608582889.db2.gz YTFVLJYWIYRFRT-UHFFFAOYSA-N 0 1 385.476 1.809 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cccc(OC(C)(C)C)n1 ZINC000825935278 608582892 /nfs/dbraw/zinc/58/28/92/608582892.db2.gz YTFVLJYWIYRFRT-UHFFFAOYSA-N 0 1 385.476 1.809 20 0 GDADMN CN(C)c1ncc(CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC000825883966 608584673 /nfs/dbraw/zinc/58/46/73/608584673.db2.gz SEPYVOQHSXHBCS-UHFFFAOYSA-N 0 1 379.472 1.435 20 0 GDADMN CN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H](O)COCc1ccccc1 ZINC000825991731 608630576 /nfs/dbraw/zinc/63/05/76/608630576.db2.gz IVNUIWLHJJPYLA-GOSISDBHSA-N 0 1 393.451 1.524 20 0 GDADMN C[C@H]1C[C@H](NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824893769 608761699 /nfs/dbraw/zinc/76/16/99/608761699.db2.gz UMYZTEYLSSVUJV-MAUKXSAKSA-N 0 1 399.499 1.652 20 0 GDADMN O=C(c1c(O)cccc1O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826469026 608861642 /nfs/dbraw/zinc/86/16/42/608861642.db2.gz REENHOVQGKGDBV-UHFFFAOYSA-N 0 1 397.395 1.106 20 0 GDADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1ncn(-c2ccccc2)n1 ZINC000826294814 608888701 /nfs/dbraw/zinc/88/87/01/608888701.db2.gz DWDZOXGLKOWCTP-UHFFFAOYSA-N 0 1 385.391 1.514 20 0 GDADMN CCS(=O)(=O)c1ccc(CNCc2ccc(OC)c(-c3nn[nH]n3)c2)cc1 ZINC000825668987 609187907 /nfs/dbraw/zinc/18/79/07/609187907.db2.gz NSPGFRNDYHSYKI-UHFFFAOYSA-N 0 1 387.465 1.959 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(C)cc(C)c2)c1-c1nnn[n-]1 ZINC000826077732 609267734 /nfs/dbraw/zinc/26/77/34/609267734.db2.gz SHQXFPBLSNKIDQ-UHFFFAOYSA-N 0 1 382.472 1.930 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(C)cc(C)c2)c1-c1nn[n-]n1 ZINC000826077732 609267735 /nfs/dbraw/zinc/26/77/35/609267735.db2.gz SHQXFPBLSNKIDQ-UHFFFAOYSA-N 0 1 382.472 1.930 20 0 GDADMN COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCN2C2CC2)c1 ZINC000826215695 609336932 /nfs/dbraw/zinc/33/69/32/609336932.db2.gz WJWYLEKJUIHETR-WMZOPIPTSA-N 0 1 393.451 1.911 20 0 GDADMN C[NH+]1CCC(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000826021956 609363424 /nfs/dbraw/zinc/36/34/24/609363424.db2.gz GLZSHZCMSQVVHB-UHFFFAOYSA-N 0 1 399.434 1.655 20 0 GDADMN CN(CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H]1CCCC[C@H]1O ZINC000825892109 609375859 /nfs/dbraw/zinc/37/58/59/609375859.db2.gz GEKQLAQXEJAHAA-XHDPSFHLSA-N 0 1 378.864 1.942 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)C2CCCCC2)cc1-c1nn[nH]n1 ZINC000826229584 609406710 /nfs/dbraw/zinc/40/67/10/609406710.db2.gz JQVIULYTUJJOCM-GFCCVEGCSA-N 0 1 378.458 1.360 20 0 GDADMN COc1c(NS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cccc1C(N)=O ZINC000826167351 609456868 /nfs/dbraw/zinc/45/68/68/609456868.db2.gz ZTWJRPPMUPCSIH-UHFFFAOYSA-N 0 1 388.409 1.083 20 0 GDADMN CN(C)[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000530840782 649981883 /nfs/dbraw/zinc/98/18/83/649981883.db2.gz 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QFAGFJLBUBEWMM-GOSISDBHSA-N 0 1 379.482 1.278 20 0 GDADMN Cc1cccc([C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C(=O)[O-])c1C ZINC000908855909 939337288 /nfs/dbraw/zinc/33/72/88/939337288.db2.gz HKDTZPQKKYBCEZ-RDTXWAMCSA-N 0 1 376.501 1.612 20 0 GDADMN CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000908859700 939338374 /nfs/dbraw/zinc/33/83/74/939338374.db2.gz VPNYLGJOLWFNIV-WMLDXEAASA-N 0 1 380.464 1.524 20 0 GDADMN O=C([O-])[C@]1(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCSC1 ZINC000908905567 939349083 /nfs/dbraw/zinc/34/90/83/939349083.db2.gz KXUSVAULZHXICY-LPHOPBHVSA-N 0 1 377.510 1.811 20 0 GDADMN Cc1cccc([C@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])c1C ZINC000909026042 939371593 /nfs/dbraw/zinc/37/15/93/939371593.db2.gz FLSYOOKOWZANCD-KRWDZBQOSA-N 0 1 376.501 1.754 20 0 GDADMN COc1ccc([C@@H](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])cc1F ZINC000909027601 939371669 /nfs/dbraw/zinc/37/16/69/939371669.db2.gz QSRKCEIKMHIFKP-MRXNPFEDSA-N 0 1 396.463 1.285 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)cc2)C[C@H](C)O1 ZINC000909546701 939405879 /nfs/dbraw/zinc/40/58/79/939405879.db2.gz RMZMJWZOBBHFLV-QXGSTGNESA-N 0 1 390.480 1.905 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)cc2)C[C@H](C)O1 ZINC000909546701 939405881 /nfs/dbraw/zinc/40/58/81/939405881.db2.gz RMZMJWZOBBHFLV-QXGSTGNESA-N 0 1 390.480 1.905 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)N1CC[NH+](C)CC1 ZINC000910939072 939762281 /nfs/dbraw/zinc/76/22/81/939762281.db2.gz YYNRGAGHGKAVRC-SMDDNHRTSA-N 0 1 389.374 1.463 20 0 GDADMN COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000630487053 939821982 /nfs/dbraw/zinc/82/19/82/939821982.db2.gz QEWREYSJOWINEP-KBXCAEBGSA-N 0 1 379.482 1.529 20 0 GDADMN COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000630487053 939821985 /nfs/dbraw/zinc/82/19/85/939821985.db2.gz QEWREYSJOWINEP-KBXCAEBGSA-N 0 1 379.482 1.529 20 0 GDADMN O=C([O-])[C@@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000663116287 939856799 /nfs/dbraw/zinc/85/67/99/939856799.db2.gz GIXWMDLLLFXZLL-GOSISDBHSA-N 0 1 377.460 1.955 20 0 GDADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000735563299 944671265 /nfs/dbraw/zinc/67/12/65/944671265.db2.gz SPYHZAUYIJHTAD-GDBMZVCRSA-N 0 1 397.483 1.528 20 0 GDADMN CC[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)N1CCc2ccccc2C1 ZINC000736349681 944807869 /nfs/dbraw/zinc/80/78/69/944807869.db2.gz IEYYWRFCTZNTBA-QGZVFWFLSA-N 0 1 377.452 1.828 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c(=O)[nH]1 ZINC001571262519 945440293 /nfs/dbraw/zinc/44/02/93/945440293.db2.gz SEWOZFDZFSQZGS-LLVKDONJSA-N 0 1 385.453 1.342 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c(=O)[nH]1 ZINC001571262519 945440298 /nfs/dbraw/zinc/44/02/98/945440298.db2.gz SEWOZFDZFSQZGS-LLVKDONJSA-N 0 1 385.453 1.342 20 0 GDADMN CC(=O)N1CCC([C@@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)CCO2)CC1 ZINC001571263565 945461323 /nfs/dbraw/zinc/46/13/23/945461323.db2.gz UALUJLXDELOOJU-YJBOKZPZSA-N 0 1 385.472 1.210 20 0 GDADMN CO[C@H](CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCC1 ZINC001571264196 945478213 /nfs/dbraw/zinc/47/82/13/945478213.db2.gz INHFYLPDXANZAN-HLLBOEOZSA-N 0 1 385.472 1.299 20 0 GDADMN C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571264558 945485211 /nfs/dbraw/zinc/48/52/11/945485211.db2.gz RHDCFBAWXTWOIW-AJNGGQMLSA-N 0 1 385.472 1.196 20 0 GDADMN CC[C@@H]1CC[C@@H](C(=O)NCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)O1 ZINC001571264660 945489616 /nfs/dbraw/zinc/48/96/16/945489616.db2.gz TUPBSFRJOVUCQN-PBHICJAKSA-N 0 1 385.472 1.552 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)C3CCOCC3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264955 945495393 /nfs/dbraw/zinc/49/53/93/945495393.db2.gz ABJAJDATKUNYIK-INIZCTEOSA-N 0 1 385.472 1.068 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@@H](N(C)c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571266114 945530714 /nfs/dbraw/zinc/53/07/14/945530714.db2.gz WKQNPBOXRNNTLH-RKDXNWHRSA-N 0 1 385.881 1.439 20 0 GDADMN O=C(C[C@@H]1CCCOC1)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571266193 945533321 /nfs/dbraw/zinc/53/33/21/945533321.db2.gz NFXXPBWKVBBAJP-LSDHHAIUSA-N 0 1 385.472 1.293 20 0 GDADMN O=C(CC1CCCC1)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571266365 945538517 /nfs/dbraw/zinc/53/85/17/945538517.db2.gz PHGINFSFJPYZMD-UHFFFAOYSA-N 0 1 385.472 1.029 20 0 GDADMN Cc1cc(F)c(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1F ZINC001571267002 945559687 /nfs/dbraw/zinc/55/96/87/945559687.db2.gz FXINJXRSNLZKDX-MGCOHNPYSA-N 0 1 386.366 1.038 20 0 GDADMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000820993910 945605695 /nfs/dbraw/zinc/60/56/95/945605695.db2.gz BZKVDZCUMDNVGB-HUUCEWRRSA-N 0 1 399.499 1.602 20 0 GDADMN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820993910 945605701 /nfs/dbraw/zinc/60/57/01/945605701.db2.gz BZKVDZCUMDNVGB-HUUCEWRRSA-N 0 1 399.499 1.602 20 0 GDADMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820993910 945605708 /nfs/dbraw/zinc/60/57/08/945605708.db2.gz BZKVDZCUMDNVGB-HUUCEWRRSA-N 0 1 399.499 1.602 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1cccn1 ZINC001571271661 945647876 /nfs/dbraw/zinc/64/78/76/945647876.db2.gz GUKUJYNTGKKWGT-OCCSQVGLSA-N 0 1 386.485 1.294 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1cccn1 ZINC001571271661 945647879 /nfs/dbraw/zinc/64/78/79/945647879.db2.gz GUKUJYNTGKKWGT-OCCSQVGLSA-N 0 1 386.485 1.294 20 0 GDADMN Cc1ncsc1CN(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571271683 945648011 /nfs/dbraw/zinc/64/80/11/945648011.db2.gz HDBXRKUOJIFADX-LBPRGKRZSA-N 0 1 386.485 1.696 20 0 GDADMN CCn1cnc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571272112 945655685 /nfs/dbraw/zinc/65/56/85/945655685.db2.gz PPUNHLPONHDTCY-TXEJJXNPSA-N 0 1 386.485 1.443 20 0 GDADMN CCn1cnc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571272112 945655690 /nfs/dbraw/zinc/65/56/90/945655690.db2.gz PPUNHLPONHDTCY-TXEJJXNPSA-N 0 1 386.485 1.443 20 0 GDADMN CC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571272113 945656696 /nfs/dbraw/zinc/65/66/96/945656696.db2.gz PQIUTOVICWTPLL-UHFFFAOYSA-N 0 1 386.485 1.365 20 0 GDADMN CC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571272113 945656701 /nfs/dbraw/zinc/65/67/01/945656701.db2.gz PQIUTOVICWTPLL-UHFFFAOYSA-N 0 1 386.485 1.365 20 0 GDADMN CCOC(=O)c1cc(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cn1C ZINC000821337176 945672826 /nfs/dbraw/zinc/67/28/26/945672826.db2.gz CIYZLRDQZMBGRG-UHFFFAOYSA-N 0 1 376.398 1.183 20 0 GDADMN Cc1cc(N[C@H]2CCCN(C(=O)c3ccc(Cl)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571275128 945702618 /nfs/dbraw/zinc/70/26/18/945702618.db2.gz PVZLGQNIPRZCLP-NSHDSACASA-N 0 1 386.847 1.690 20 0 GDADMN COc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571278951 945765580 /nfs/dbraw/zinc/76/55/80/945765580.db2.gz SMEGAJGIGIDBED-PBHICJAKSA-N 0 1 386.456 1.135 20 0 GDADMN CCc1cc(C(=O)N2C[C@H](C)[C@H](Nc3snc(C)c3-c3nn[nH]n3)C2)n[nH]1 ZINC001571281175 945799904 /nfs/dbraw/zinc/79/99/04/945799904.db2.gz DYMNQIKCQCRUTP-QPUJVOFHSA-N 0 1 387.473 1.490 20 0 GDADMN Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282372 945843763 /nfs/dbraw/zinc/84/37/63/945843763.db2.gz WNJNFWOHLRDDQY-MNOVXSKESA-N 0 1 387.473 1.186 20 0 GDADMN Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282372 945843775 /nfs/dbraw/zinc/84/37/75/945843775.db2.gz WNJNFWOHLRDDQY-MNOVXSKESA-N 0 1 387.473 1.186 20 0 GDADMN CC[C@@H](C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1)[NH+](C)C ZINC001571283702 945888793 /nfs/dbraw/zinc/88/87/93/945888793.db2.gz HEAWGDWPZKISQV-WFASDCNBSA-N 0 1 387.492 1.036 20 0 GDADMN Cc1cc(NCC2(O)CCN(C(=O)CC(C)(C)C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571284579 945902563 /nfs/dbraw/zinc/90/25/63/945902563.db2.gz RAJPINWOLAVBLJ-UHFFFAOYSA-N 0 1 387.488 1.194 20 0 GDADMN Cn1cc(Cl)cc1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571285721 945924794 /nfs/dbraw/zinc/92/47/94/945924794.db2.gz MHRCZHJCSRKKOB-UHFFFAOYSA-N 0 1 387.835 1.001 20 0 GDADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289709 946015522 /nfs/dbraw/zinc/01/55/22/946015522.db2.gz KUFUWOXAIXDVOL-SNVBAGLBSA-N 0 1 388.457 1.060 20 0 GDADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289709 946015535 /nfs/dbraw/zinc/01/55/35/946015535.db2.gz KUFUWOXAIXDVOL-SNVBAGLBSA-N 0 1 388.457 1.060 20 0 GDADMN O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccoc1Cl ZINC001571290444 946042970 /nfs/dbraw/zinc/04/29/70/946042970.db2.gz FFOXHTRAZFPERN-ZJUUUORDSA-N 0 1 388.819 1.478 20 0 GDADMN CN(C(=O)[C@H]1CC1(F)F)[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571294978 946150476 /nfs/dbraw/zinc/15/04/76/946150476.db2.gz RJUMSJMNELGPHN-RNFRBKRXSA-N 0 1 389.819 1.669 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@]3(CCN(c4ccncc4-c4nn[nH]n4)C3)C2)cn1 ZINC001571298174 946208599 /nfs/dbraw/zinc/20/85/99/946208599.db2.gz BGSRWNLWXONSPW-HXUWFJFHSA-N 0 1 390.451 1.708 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3nc(Cl)cs3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298524 946217878 /nfs/dbraw/zinc/21/78/78/946217878.db2.gz AEVIBYXSPWINAO-SECBINFHSA-N 0 1 390.860 1.689 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)c1C ZINC001571298610 946221119 /nfs/dbraw/zinc/22/11/19/946221119.db2.gz HQVUJRIJUKQCNG-BMFZPTHFSA-N 0 1 390.451 1.813 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1csc(Cl)c1 ZINC001571298609 946222513 /nfs/dbraw/zinc/22/25/13/946222513.db2.gz BNNWPVVVNZPBFF-SCZZXKLOSA-N 0 1 390.860 1.509 20 0 GDADMN O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccccn1 ZINC001571298765 946228264 /nfs/dbraw/zinc/22/82/64/946228264.db2.gz DFIYGNCNKGZVCA-DTORHVGOSA-N 0 1 390.860 1.992 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571299062 946237589 /nfs/dbraw/zinc/23/75/89/946237589.db2.gz UEGQUYVHROIXRL-UHFFFAOYSA-N 0 1 390.498 1.516 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571299062 946237597 /nfs/dbraw/zinc/23/75/97/946237597.db2.gz UEGQUYVHROIXRL-UHFFFAOYSA-N 0 1 390.498 1.516 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571299062 946237604 /nfs/dbraw/zinc/23/76/04/946237604.db2.gz UEGQUYVHROIXRL-UHFFFAOYSA-N 0 1 390.498 1.516 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)c2cnns2)CC1 ZINC001571299062 946237611 /nfs/dbraw/zinc/23/76/11/946237611.db2.gz UEGQUYVHROIXRL-UHFFFAOYSA-N 0 1 390.498 1.516 20 0 GDADMN CC(=O)N[C@@H]1C[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)Oc2ccccc21 ZINC001573493009 946296253 /nfs/dbraw/zinc/29/62/53/946296253.db2.gz FTPBHFBQZZFEIZ-AUUYWEPGSA-N 0 1 392.423 1.266 20 0 GDADMN CN1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)c2ccc(Cl)cc21 ZINC001571305406 946360855 /nfs/dbraw/zinc/36/08/55/946360855.db2.gz ALVPGDOOQBNRIQ-UHFFFAOYSA-N 0 1 391.844 1.560 20 0 GDADMN O=C(N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C1(F)CCOCC1 ZINC001571307890 946427836 /nfs/dbraw/zinc/42/78/36/946427836.db2.gz IZNCMHHVKJPTOJ-CQSZACIVSA-N 0 1 392.410 1.215 20 0 GDADMN O=C(NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCC(F)(F)C1 ZINC001571309479 946445093 /nfs/dbraw/zinc/44/50/93/946445093.db2.gz BDXXGCWPRLILSS-NSHDSACASA-N 0 1 392.414 1.567 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571309475 946445256 /nfs/dbraw/zinc/44/52/56/946445256.db2.gz BCFPDLMLKTUXSF-RYUDHWBXSA-N 0 1 392.414 1.567 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001571310533 946476194 /nfs/dbraw/zinc/47/61/94/946476194.db2.gz ITDLGYBSRADFPG-ZTFGCOKTSA-N 0 1 392.467 1.357 20 0 GDADMN Cc1cc(NC[C@H]2CCCN2C(=O)Cc2ccncc2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314952 946547926 /nfs/dbraw/zinc/54/79/26/946547926.db2.gz FFYPCBBTZQNQNK-MRXNPFEDSA-N 0 1 392.467 1.341 20 0 GDADMN Cc1ccc(CC(=O)N2C[C@@H](CNc3ccncc3-c3nn[nH]n3)[C@H](C)C2)cn1 ZINC001571315859 946561479 /nfs/dbraw/zinc/56/14/79/946561479.db2.gz PUKCKFWURRICJV-CZUORRHYSA-N 0 1 392.467 1.136 20 0 GDADMN Cc1cc(C)c(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c(C)n1 ZINC001571316120 946567182 /nfs/dbraw/zinc/56/71/82/946567182.db2.gz UMMWWYRJPMCVCK-OAHLLOKOSA-N 0 1 392.467 1.721 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571316335 946574132 /nfs/dbraw/zinc/57/41/32/946574132.db2.gz ACIKGDNWFXLXGU-HZPDHXFCSA-N 0 1 392.467 1.400 20 0 GDADMN Cc1ccccc1CCC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316735 946588028 /nfs/dbraw/zinc/58/80/28/946588028.db2.gz KZMQEAFMWCTRES-MRXNPFEDSA-N 0 1 392.467 1.635 20 0 GDADMN Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571317371 946609215 /nfs/dbraw/zinc/60/92/15/946609215.db2.gz FJRSQUWYWXEVNH-SECBINFHSA-N 0 1 392.876 1.617 20 0 GDADMN Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571317371 946609221 /nfs/dbraw/zinc/60/92/21/946609221.db2.gz FJRSQUWYWXEVNH-SECBINFHSA-N 0 1 392.876 1.617 20 0 GDADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H](CNCc2csc(Cl)n2)C1 ZINC001571317774 946621724 /nfs/dbraw/zinc/62/17/24/946621724.db2.gz VORHQMLENLALDM-SECBINFHSA-N 0 1 392.876 1.557 20 0 GDADMN C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553884 946795190 /nfs/dbraw/zinc/79/51/90/946795190.db2.gz JVDYMUFASZTIJI-LBPRGKRZSA-N 0 1 377.408 1.503 20 0 GDADMN C[C@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824563847 946801371 /nfs/dbraw/zinc/80/13/71/946801371.db2.gz QRAZZEKNXILKIV-OIJAAMDRSA-N 0 1 398.492 1.571 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001573585870 947269934 /nfs/dbraw/zinc/26/99/34/947269934.db2.gz JADHCCHPSQFFGO-VXGBXAGGSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001573585870 947269945 /nfs/dbraw/zinc/26/99/45/947269945.db2.gz JADHCCHPSQFFGO-VXGBXAGGSA-N 0 1 388.501 1.402 20 0 GDADMN CC(C)N(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001573603420 947486576 /nfs/dbraw/zinc/48/65/76/947486576.db2.gz GMZVTXJAAGHSRW-RHSMWYFYSA-N 0 1 387.488 1.750 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001573605128 947525603 /nfs/dbraw/zinc/52/56/03/947525603.db2.gz YPFOUIYWZPQRJY-GFCCVEGCSA-N 0 1 384.419 1.494 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573614826 947593990 /nfs/dbraw/zinc/59/39/90/947593990.db2.gz HRFWZWBCYUKBQC-KGLIPLIRSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573614826 947593995 /nfs/dbraw/zinc/59/39/95/947593995.db2.gz HRFWZWBCYUKBQC-KGLIPLIRSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573615802 947613144 /nfs/dbraw/zinc/61/31/44/947613144.db2.gz KUTHUNDNMMMZHZ-CQSZACIVSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573617417 947635766 /nfs/dbraw/zinc/63/57/66/947635766.db2.gz OZOXUOXZFKCGKX-ZIAGYGMSSA-N 0 1 381.440 1.943 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC001573355439 947642588 /nfs/dbraw/zinc/64/25/88/947642588.db2.gz PIVUFJKUYQKQKP-HNNXBMFYSA-N 0 1 376.424 1.342 20 0 GDADMN CSc1nc(C2CC2)cc(C(=O)NCC2=CC[N@@H+](C)CC2)c1-c1nn[nH]n1 ZINC000826231367 947676801 /nfs/dbraw/zinc/67/68/01/947676801.db2.gz ISDZNJKKYZGIIQ-UHFFFAOYSA-N 0 1 385.497 1.853 20 0 GDADMN CSc1nc(C2CC2)cc(C(=O)NCC2=CC[N@H+](C)CC2)c1-c1nn[n-]n1 ZINC000826231367 947676805 /nfs/dbraw/zinc/67/68/05/947676805.db2.gz ISDZNJKKYZGIIQ-UHFFFAOYSA-N 0 1 385.497 1.853 20 0 GDADMN CSc1nc(C2CC2)cc(C(=O)NCC2=CC[N@@H+](C)CC2)c1-c1nn[n-]n1 ZINC000826231367 947676814 /nfs/dbraw/zinc/67/68/14/947676814.db2.gz ISDZNJKKYZGIIQ-UHFFFAOYSA-N 0 1 385.497 1.853 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573625194 947699722 /nfs/dbraw/zinc/69/97/22/947699722.db2.gz NPOAHCMJQREXFL-OLZOCXBDSA-N 0 1 381.415 1.639 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001573368859 947770835 /nfs/dbraw/zinc/77/08/35/947770835.db2.gz PZSDYBHHZIAQER-WBMJQRKESA-N 0 1 388.447 1.844 20 0 GDADMN CC(=O)CCCC(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573373725 947797352 /nfs/dbraw/zinc/79/73/52/947797352.db2.gz KTMJFNGGIYQWNS-UHFFFAOYSA-N 0 1 386.460 1.091 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCCO1 ZINC001573637828 947823824 /nfs/dbraw/zinc/82/38/24/947823824.db2.gz RPUBIIWSAYUTRL-MAUKXSAKSA-N 0 1 384.484 1.716 20 0 GDADMN C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573640093 947849859 /nfs/dbraw/zinc/84/98/59/947849859.db2.gz FKAVMCBWPKFVOF-WCQYABFASA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573640093 947849866 /nfs/dbraw/zinc/84/98/66/947849866.db2.gz FKAVMCBWPKFVOF-WCQYABFASA-N 0 1 376.486 1.291 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@]1(C)CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573380324 947857608 /nfs/dbraw/zinc/85/76/08/947857608.db2.gz AWUCANFHMALVDG-LJQANCHMSA-N 0 1 385.472 1.744 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573380942 947866919 /nfs/dbraw/zinc/86/69/19/947866919.db2.gz KSZHRDOTLLUWMD-SECBINFHSA-N 0 1 383.865 1.431 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573650684 947910991 /nfs/dbraw/zinc/91/09/91/947910991.db2.gz CTELUMJGODPPGV-IMJJTQAJSA-N 0 1 396.499 1.768 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C1CCC1 ZINC001573651720 947922858 /nfs/dbraw/zinc/92/28/58/947922858.db2.gz PVSQVPMKMPLWGS-TVZGQMOCSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(C)(F)F ZINC001573652578 947942942 /nfs/dbraw/zinc/94/29/42/947942942.db2.gz DURUPEKEZCBDHY-BJOHPYRUSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CCC1 ZINC001573653281 947955688 /nfs/dbraw/zinc/95/56/88/947955688.db2.gz KIKLBEZAGZUBAJ-WFASDCNBSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1)C1CC1 ZINC001573655229 947977845 /nfs/dbraw/zinc/97/78/45/947977845.db2.gz WNUCFHDREUIIRW-WFASDCNBSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573664344 948053570 /nfs/dbraw/zinc/05/35/70/948053570.db2.gz TZLHXXUOBOOPTG-DNOWBOINSA-N 0 1 378.440 1.189 20 0 GDADMN Cn1cc([C@@H]2CCN([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000826360027 948117964 /nfs/dbraw/zinc/11/79/64/948117964.db2.gz VRXGMVNMZFTWEY-QAPCUYQASA-N 0 1 392.467 1.585 20 0 GDADMN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC001573678617 948153375 /nfs/dbraw/zinc/15/33/75/948153375.db2.gz FOSIVKUPHYOEHU-GHMZBOCLSA-N 0 1 392.510 1.360 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573678990 948156749 /nfs/dbraw/zinc/15/67/49/948156749.db2.gz HGGJVKRCPQIVNE-NWDGAFQWSA-N 0 1 386.485 1.497 20 0 GDADMN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccc1 ZINC001573679356 948160150 /nfs/dbraw/zinc/16/01/50/948160150.db2.gz IBYUHUGXIQSLPG-IUODEOHRSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccc1 ZINC001573679356 948160157 /nfs/dbraw/zinc/16/01/57/948160157.db2.gz IBYUHUGXIQSLPG-IUODEOHRSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)n1cccc1 ZINC001573691083 948234152 /nfs/dbraw/zinc/23/41/52/948234152.db2.gz COSWJTCUGRHJLZ-AWEZNQCLSA-N 0 1 380.456 1.587 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573703390 948355450 /nfs/dbraw/zinc/35/54/50/948355450.db2.gz JVPGTEKNLGFZJK-HIFRSBDPSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573704324 948369537 /nfs/dbraw/zinc/36/95/37/948369537.db2.gz APHXEZBACHLAOO-VXGBXAGGSA-N 0 1 384.469 1.464 20 0 GDADMN O=C1[C@@H](N2CCC(c3c[nH]cn3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477136 948386821 /nfs/dbraw/zinc/38/68/21/948386821.db2.gz WJYLRIHKMLHLNA-SFHVURJKSA-N 0 1 392.467 1.965 20 0 GDADMN O=C1C[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c2ccccc21 ZINC000826478712 948390026 /nfs/dbraw/zinc/39/00/26/948390026.db2.gz IKVCHWSKFCCDII-CYBMUJFWSA-N 0 1 391.359 1.751 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccc(Cl)s1 ZINC001573718103 948514319 /nfs/dbraw/zinc/51/43/19/948514319.db2.gz HSHRUGPNUDWKSF-VIFPVBQESA-N 0 1 392.876 1.728 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)C(F)(F)F ZINC001573727411 948554049 /nfs/dbraw/zinc/55/40/49/948554049.db2.gz NEUVRZURUYUFOR-GMTAPVOTSA-N 0 1 383.378 1.649 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573727553 948555614 /nfs/dbraw/zinc/55/56/14/948555614.db2.gz AETLWTIMDAEBBM-JHJVBQTASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573727553 948555617 /nfs/dbraw/zinc/55/56/17/948555617.db2.gz AETLWTIMDAEBBM-JHJVBQTASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573731230 948589124 /nfs/dbraw/zinc/58/91/24/948589124.db2.gz FRAUHLGUCMMLSI-STQMWFEESA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573751544 948703823 /nfs/dbraw/zinc/70/38/23/948703823.db2.gz BDVVTDDJVSRINV-RZFFKMDDSA-N 0 1 382.472 1.709 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575222157 948754617 /nfs/dbraw/zinc/75/46/17/948754617.db2.gz FPDMJLLNSLLRST-QWRGUYRKSA-N 0 1 392.414 1.211 20 0 GDADMN C[C@H](C(=O)Nc1c(Cl)n(C)nc1C(F)(F)F)n1cnc(-c2nn[nH]n2)n1 ZINC001573755352 948762480 /nfs/dbraw/zinc/76/24/80/948762480.db2.gz CBSIZHUHGAVQOA-SCSAIBSYSA-N 0 1 390.717 1.064 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1cccs1 ZINC001573755437 948766813 /nfs/dbraw/zinc/76/68/13/948766813.db2.gz DTLUZPSWVGMTHA-KZWBYHQPSA-N 0 1 382.453 1.073 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccccc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574915479 948766975 /nfs/dbraw/zinc/76/69/75/948766975.db2.gz VGSXYLLXTPXRBG-GFCCVEGCSA-N 0 1 384.419 1.015 20 0 GDADMN CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)c1 ZINC001574417465 948770010 /nfs/dbraw/zinc/77/00/10/948770010.db2.gz OKJXSSJHIYYMNJ-HNNXBMFYSA-N 0 1 381.440 1.010 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574418219 948775804 /nfs/dbraw/zinc/77/58/04/948775804.db2.gz VRKXBDHRHGATIO-NWDGAFQWSA-N 0 1 381.444 1.216 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001575224352 948785104 /nfs/dbraw/zinc/78/51/04/948785104.db2.gz VBBPDBNVTLVKMC-CQSZACIVSA-N 0 1 376.411 1.993 20 0 GDADMN C[C@@H](C(=O)Nc1ccccc1N=S(C)(C)=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573756035 948792390 /nfs/dbraw/zinc/79/23/90/948792390.db2.gz WFOCHWRLTAHICR-VIFPVBQESA-N 0 1 375.418 1.017 20 0 GDADMN C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2)C(C)(F)F ZINC001573756182 948803534 /nfs/dbraw/zinc/80/35/34/948803534.db2.gz NEUXNKCQMOKUFC-DINDLPBHSA-N 0 1 392.414 1.423 20 0 GDADMN CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420867 948806557 /nfs/dbraw/zinc/80/65/57/948806557.db2.gz CFQWFHAQIHZOFD-YPMHNXCESA-N 0 1 382.428 1.368 20 0 GDADMN C[C@@H](C(=O)Nc1ccnc(C(=O)OC(C)(C)C)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756261 948807728 /nfs/dbraw/zinc/80/77/28/948807728.db2.gz YFKZVFOZASFNCQ-VIFPVBQESA-N 0 1 385.388 1.008 20 0 GDADMN CC(C)[C@@H](F)C(=O)NCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574081071 948815681 /nfs/dbraw/zinc/81/56/81/948815681.db2.gz PDMXAJIJOCFTSE-QGZVFWFLSA-N 0 1 389.479 1.095 20 0 GDADMN CC(F)(F)CC(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001575229144 948836991 /nfs/dbraw/zinc/83/69/91/948836991.db2.gz CPUMWHRCNCFIGI-HAQNSBGRSA-N 0 1 379.415 1.816 20 0 GDADMN CC(F)(F)CC(=O)NC[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001575229531 948851999 /nfs/dbraw/zinc/85/19/99/948851999.db2.gz MBDOQSMDEVLJTM-SSDOTTSWSA-N 0 1 391.835 1.964 20 0 GDADMN CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573764290 948886854 /nfs/dbraw/zinc/88/68/54/948886854.db2.gz LTAUJSYQJORBJN-JSGCOSHPSA-N 0 1 382.472 1.520 20 0 GDADMN CC(F)(F)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575233556 948888208 /nfs/dbraw/zinc/88/82/08/948888208.db2.gz LJRWSBSWBHSEML-MNOVXSKESA-N 0 1 380.403 1.211 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1CCCCO1 ZINC001574685669 948915855 /nfs/dbraw/zinc/91/58/55/948915855.db2.gz YTPNCXUZFIRCBI-RKDXNWHRSA-N 0 1 385.881 1.852 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001575235858 948928666 /nfs/dbraw/zinc/92/86/66/948928666.db2.gz RVNMDNAOIWZSBN-JYAVWHMHSA-N 0 1 380.374 1.598 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001573771047 948933658 /nfs/dbraw/zinc/93/36/58/948933658.db2.gz AGSMOWSGBQRFGB-CYBMUJFWSA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573771695 948944452 /nfs/dbraw/zinc/94/44/52/948944452.db2.gz LBMBFFDNDMSCCM-GXTWGEPZSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573772891 948970200 /nfs/dbraw/zinc/97/02/00/948970200.db2.gz XWWCRLFZXSSDLQ-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)c1nnc(CN[C@@H](C)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)s1 ZINC001574435769 949000752 /nfs/dbraw/zinc/00/07/52/949000752.db2.gz ZYGMBUMNJFUQSA-JTQLQIEISA-N 0 1 389.489 1.468 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091919 949040481 /nfs/dbraw/zinc/04/04/81/949040481.db2.gz MUHGUJOIWIYIDT-HUUCEWRRSA-N 0 1 384.488 1.411 20 0 GDADMN CC(C)c1occc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441685 949073962 /nfs/dbraw/zinc/07/39/62/949073962.db2.gz SDZILZRLUQSJJG-GFCCVEGCSA-N 0 1 382.428 1.369 20 0 GDADMN CC(C)c1nocc1C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574442192 949091291 /nfs/dbraw/zinc/09/12/91/949091291.db2.gz LSKQKCUURIEFGH-UHFFFAOYSA-N 0 1 382.428 1.510 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573780431 949096934 /nfs/dbraw/zinc/09/69/34/949096934.db2.gz ZAJGUKZTITWADZ-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574695158 949105347 /nfs/dbraw/zinc/10/53/47/949105347.db2.gz CYWSIQDTMHSSDN-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574695158 949105355 /nfs/dbraw/zinc/10/53/55/949105355.db2.gz CYWSIQDTMHSSDN-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574695158 949105367 /nfs/dbraw/zinc/10/53/67/949105367.db2.gz CYWSIQDTMHSSDN-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574695158 949105376 /nfs/dbraw/zinc/10/53/76/949105376.db2.gz CYWSIQDTMHSSDN-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574445789 949115682 /nfs/dbraw/zinc/11/56/82/949115682.db2.gz DBFDJHDOXXXGKC-GFCCVEGCSA-N 0 1 382.428 1.772 20 0 GDADMN C[C@@H](CNC(=O)COCC(F)F)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574932257 949133194 /nfs/dbraw/zinc/13/31/94/949133194.db2.gz WTLJSTXDUPTNNR-JTQLQIEISA-N 0 1 386.378 1.224 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001573783121 949140973 /nfs/dbraw/zinc/14/09/73/949140973.db2.gz RJURPYOLBFLBLB-ZIAGYGMSSA-N 0 1 399.503 1.370 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001573783121 949140985 /nfs/dbraw/zinc/14/09/85/949140985.db2.gz RJURPYOLBFLBLB-ZIAGYGMSSA-N 0 1 399.503 1.370 20 0 GDADMN C[C@H](NC(=O)C1(c2ccccc2)CCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251657 949145640 /nfs/dbraw/zinc/14/56/40/949145640.db2.gz BVZNWDNJLZGTTP-KBPBESRZSA-N 0 1 392.467 1.506 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602795043 971555293 /nfs/dbraw/zinc/55/52/93/971555293.db2.gz BEAODCUJQYCASF-MMPTUQATSA-N 0 1 383.242 1.809 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574934564 949168191 /nfs/dbraw/zinc/16/81/91/949168191.db2.gz LDORYLYTFWNQIC-CYBMUJFWSA-N 0 1 384.415 1.679 20 0 GDADMN C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575252702 949169545 /nfs/dbraw/zinc/16/95/45/949169545.db2.gz GWWQQYMKPQPLLC-QWHCGFSZSA-N 0 1 387.463 1.939 20 0 GDADMN C[C@H](c1cnccn1)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514759 949175551 /nfs/dbraw/zinc/17/55/51/949175551.db2.gz DUKOKHCJNKLUQX-OLZOCXBDSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574698720 949201743 /nfs/dbraw/zinc/20/17/43/949201743.db2.gz NUTFRCIGBLLHES-WDEREUQCSA-N 0 1 387.423 1.262 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001575853262 949207430 /nfs/dbraw/zinc/20/74/30/949207430.db2.gz MVIXQBAFTBJIBU-UHFFFAOYSA-N 0 1 392.467 1.607 20 0 GDADMN C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574937785 949231313 /nfs/dbraw/zinc/23/13/13/949231313.db2.gz QPIZGMNGQVYWLD-JTQLQIEISA-N 0 1 387.469 1.631 20 0 GDADMN C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574937785 949231334 /nfs/dbraw/zinc/23/13/34/949231334.db2.gz QPIZGMNGQVYWLD-JTQLQIEISA-N 0 1 387.469 1.631 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574451394 949233094 /nfs/dbraw/zinc/23/30/94/949233094.db2.gz OVHIZEUZHOABLE-OAHLLOKOSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574938117 949234201 /nfs/dbraw/zinc/23/42/01/949234201.db2.gz SKSWYAZQAYIXDA-JTQLQIEISA-N 0 1 375.433 1.299 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574938117 949234226 /nfs/dbraw/zinc/23/42/26/949234226.db2.gz SKSWYAZQAYIXDA-JTQLQIEISA-N 0 1 375.433 1.299 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574699476 949238424 /nfs/dbraw/zinc/23/84/24/949238424.db2.gz VERXZUZSAVMCRH-STQMWFEESA-N 0 1 390.463 1.757 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC001589605466 949255044 /nfs/dbraw/zinc/25/50/44/949255044.db2.gz SBUKRDYTIWTXKF-SJCJKPOMSA-N 0 1 383.470 1.238 20 0 GDADMN CC1=C(C)C[C@H](C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)C)CC1 ZINC001575860075 949288395 /nfs/dbraw/zinc/28/83/95/949288395.db2.gz CHAVFWWLBKNSGS-CABCVRRESA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575259137 949318838 /nfs/dbraw/zinc/31/88/38/949318838.db2.gz MKSBJJGYRINJJZ-HIFRSBDPSA-N 0 1 383.456 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]1(C)CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703354 949324017 /nfs/dbraw/zinc/32/40/17/949324017.db2.gz UTUBPJNSKQDAGU-KZULUSFZSA-N 0 1 376.436 1.369 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001574458274 949343498 /nfs/dbraw/zinc/34/34/98/949343498.db2.gz RUWKOLXHSNCYLG-INIZCTEOSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@H](NC(=O)C1CCC(O)CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575260646 949358947 /nfs/dbraw/zinc/35/89/47/949358947.db2.gz WQTLWNFJUCYYFI-DCBWTQNWSA-N 0 1 390.513 1.416 20 0 GDADMN CC(C)n1ccc(CC(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001574459604 949360220 /nfs/dbraw/zinc/36/02/20/949360220.db2.gz JTAYIWHYWLBGBZ-LBPRGKRZSA-N 0 1 388.501 1.543 20 0 GDADMN CC(C)n1ccc(CC(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001574459604 949360243 /nfs/dbraw/zinc/36/02/43/949360243.db2.gz JTAYIWHYWLBGBZ-LBPRGKRZSA-N 0 1 388.501 1.543 20 0 GDADMN C[C@@H](NC(=O)C1=COCCO1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575260881 949365465 /nfs/dbraw/zinc/36/54/65/949365465.db2.gz YEZVTSQIGSKIJX-RQJHMYQMSA-N 0 1 385.837 1.170 20 0 GDADMN CC(C)(C)C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O ZINC001573799388 949367204 /nfs/dbraw/zinc/36/72/04/949367204.db2.gz LZZTZGAPSUGKTF-JGVFFNPUSA-N 0 1 385.881 1.079 20 0 GDADMN CC(C)n1ccc(CNC2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC2)n1 ZINC001574459820 949367605 /nfs/dbraw/zinc/36/76/05/949367605.db2.gz LMBLTVYOWLETTQ-UHFFFAOYSA-N 0 1 383.460 1.415 20 0 GDADMN C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575527772 949379140 /nfs/dbraw/zinc/37/91/40/949379140.db2.gz HFJWIBSCKXOSSZ-FUHIMQAGSA-N 0 1 382.468 1.469 20 0 GDADMN C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001575528393 949401250 /nfs/dbraw/zinc/40/12/50/949401250.db2.gz UVLAATXJAYFTQS-FUHIMQAGSA-N 0 1 382.468 1.469 20 0 GDADMN CC(C)n1cccc1C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574465134 949427611 /nfs/dbraw/zinc/42/76/11/949427611.db2.gz PKGSNOYQTDPMRI-UHFFFAOYSA-N 0 1 380.456 1.783 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574705540 949429513 /nfs/dbraw/zinc/42/95/13/949429513.db2.gz IFBJQPDQGKDWHQ-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705540 949429527 /nfs/dbraw/zinc/42/95/27/949429527.db2.gz IFBJQPDQGKDWHQ-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705540 949429543 /nfs/dbraw/zinc/42/95/43/949429543.db2.gz IFBJQPDQGKDWHQ-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574705542 949429831 /nfs/dbraw/zinc/42/98/31/949429831.db2.gz IFBJQPDQGKDWHQ-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705542 949429846 /nfs/dbraw/zinc/42/98/46/949429846.db2.gz IFBJQPDQGKDWHQ-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705542 949429859 /nfs/dbraw/zinc/42/98/59/949429859.db2.gz IFBJQPDQGKDWHQ-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@@H](CN(C)C(=O)C1CCC(C2CC2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574708226 949488885 /nfs/dbraw/zinc/48/88/85/949488885.db2.gz UKMCDLCOITZNKS-GRTSSRMGSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576158817 949507669 /nfs/dbraw/zinc/50/76/69/949507669.db2.gz UTJWZUCGKMWLOK-UONOGXRCSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575268730 949527824 /nfs/dbraw/zinc/52/78/24/949527824.db2.gz OLGRLYKYNBOBCP-UONOGXRCSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@]1(C(=O)N2CC[C@@]3(CCN(c4ccncc4-c4nn[nH]n4)C3)C2)CCOC1 ZINC001575538906 949532648 /nfs/dbraw/zinc/53/26/48/949532648.db2.gz KXCNJLQUBLUDEI-RBUKOAKNSA-N 0 1 383.456 1.117 20 0 GDADMN C[C@H]1CCCC[C@H]1OCC(=O)NCCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576163578 949535745 /nfs/dbraw/zinc/53/57/45/949535745.db2.gz CCCHSLHSABVOSU-UONOGXRCSA-N 0 1 388.476 1.195 20 0 GDADMN CC(C)[C@H](C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1)[NH+](C)C ZINC001574950430 949537679 /nfs/dbraw/zinc/53/76/79/949537679.db2.gz OMPQLJLAFYHIHY-RKDXNWHRSA-N 0 1 386.913 1.479 20 0 GDADMN CC(C)[C@H](C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1)[NH+](C)C ZINC001574950430 949537694 /nfs/dbraw/zinc/53/76/94/949537694.db2.gz OMPQLJLAFYHIHY-RKDXNWHRSA-N 0 1 386.913 1.479 20 0 GDADMN C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575269201 949540367 /nfs/dbraw/zinc/54/03/67/949540367.db2.gz SBIWSIXWOJUGRT-UONOGXRCSA-N 0 1 385.472 1.288 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574955728 949567436 /nfs/dbraw/zinc/56/74/36/949567436.db2.gz DPFPOEXWBWIDEG-FVQBIDKESA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574955729 949567931 /nfs/dbraw/zinc/56/79/31/949567931.db2.gz DPFPOEXWBWIDEG-NUEKZKHPSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574956453 949578540 /nfs/dbraw/zinc/57/85/40/949578540.db2.gz IPFYFJDRJWPOMO-DOZNAXDZSA-N 0 1 386.431 1.024 20 0 GDADMN CC1(C(=O)N2CCCC[C@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CC1 ZINC001575544453 949582294 /nfs/dbraw/zinc/58/22/94/949582294.db2.gz CWZCXMHCNOCGIN-LJQANCHMSA-N 0 1 382.472 1.666 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574713162 949599068 /nfs/dbraw/zinc/59/90/68/949599068.db2.gz WCYHKAUHXUGLOV-IUODEOHRSA-N 0 1 379.424 1.119 20 0 GDADMN C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001576167235 949605352 /nfs/dbraw/zinc/60/53/52/949605352.db2.gz BGIVOEVCNQRSBR-HUUCEWRRSA-N 0 1 387.488 1.133 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574716432 949692210 /nfs/dbraw/zinc/69/22/10/949692210.db2.gz OJQSEVWBABAWJG-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001573817958 949710259 /nfs/dbraw/zinc/71/02/59/949710259.db2.gz CHDANPFRTXHXQY-MRXNPFEDSA-N 0 1 380.456 1.264 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170155 949710532 /nfs/dbraw/zinc/71/05/32/949710532.db2.gz JJXZMXVROOKSRD-ZIAGYGMSSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170155 949710544 /nfs/dbraw/zinc/71/05/44/949710544.db2.gz JJXZMXVROOKSRD-ZIAGYGMSSA-N 0 1 387.492 1.038 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573818238 949727455 /nfs/dbraw/zinc/72/74/55/949727455.db2.gz ISINLEFPQHWOHB-NSHDSACASA-N 0 1 389.851 1.317 20 0 GDADMN C[C@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001574479662 949740455 /nfs/dbraw/zinc/74/04/55/949740455.db2.gz FAZGGEDPLFPXNG-CQSZACIVSA-N 0 1 380.456 1.539 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717732 949741755 /nfs/dbraw/zinc/74/17/55/949741755.db2.gz WUXWCODXSCYATD-CHWSQXEVSA-N 0 1 388.501 1.713 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717732 949741766 /nfs/dbraw/zinc/74/17/66/949741766.db2.gz WUXWCODXSCYATD-CHWSQXEVSA-N 0 1 388.501 1.713 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574480126 949741913 /nfs/dbraw/zinc/74/19/13/949741913.db2.gz GYPUCJOQNQDCQK-CHWSQXEVSA-N 0 1 382.428 1.126 20 0 GDADMN C[C@H]1CCCN(C(=O)CN2CCCC2)[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576171010 949743622 /nfs/dbraw/zinc/74/36/22/949743622.db2.gz ONZIRWYTOCSALS-HOCLYGCPSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CC=CCC1 ZINC001575559052 949747813 /nfs/dbraw/zinc/74/78/13/949747813.db2.gz UHMYHGWPCMBLNY-QEEYODRMSA-N 0 1 394.483 1.688 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574136708 949748978 /nfs/dbraw/zinc/74/89/78/949748978.db2.gz PYSNGUXLUCNKLK-GJZGRUSLSA-N 0 1 389.504 1.590 20 0 GDADMN CC(C)C[C@H](C)CN1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574138427 949787626 /nfs/dbraw/zinc/78/76/26/949787626.db2.gz CFXOJOPOHWUDLU-ZDUSSCGKSA-N 0 1 375.477 1.044 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC2CCC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172581 949809395 /nfs/dbraw/zinc/80/93/95/949809395.db2.gz XONSGISQNPZHPK-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)CCc1cnc[nH]1 ZINC001573823243 949819368 /nfs/dbraw/zinc/81/93/68/949819368.db2.gz SEDSTYWILHLYHR-AWEZNQCLSA-N 0 1 383.460 1.560 20 0 GDADMN C[C@@H](NC(=O)COCC1CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575282178 949828629 /nfs/dbraw/zinc/82/86/29/949828629.db2.gz IUSDHPSQIPKZIT-LLVKDONJSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574724705 949876873 /nfs/dbraw/zinc/87/68/73/949876873.db2.gz JRJLHCCYQHDPMB-VIFPVBQESA-N 0 1 384.897 1.331 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574968216 949891595 /nfs/dbraw/zinc/89/15/95/949891595.db2.gz NQKQZUIFGVTBBI-MRVPVSSYSA-N 0 1 379.396 1.510 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574968216 949891610 /nfs/dbraw/zinc/89/16/10/949891610.db2.gz NQKQZUIFGVTBBI-MRVPVSSYSA-N 0 1 379.396 1.510 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574484652 949894082 /nfs/dbraw/zinc/89/40/82/949894082.db2.gz LKMKLHAFKSRPJV-STQMWFEESA-N 0 1 382.428 1.268 20 0 GDADMN C[C@H](CC(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001574484796 949902321 /nfs/dbraw/zinc/90/23/21/949902321.db2.gz OLJJWQZQVFUTTN-HIFRSBDPSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H](CC(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001574484798 949906176 /nfs/dbraw/zinc/90/61/76/949906176.db2.gz OLJJWQZQVFUTTN-ZFWWWQNUSA-N 0 1 385.472 1.149 20 0 GDADMN CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCC(F)(F)CC1 ZINC001575569550 949926670 /nfs/dbraw/zinc/92/66/70/949926670.db2.gz KZNUZJRKBJLPKI-LLVKDONJSA-N 0 1 392.414 1.567 20 0 GDADMN C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001574489360 949965880 /nfs/dbraw/zinc/96/58/80/949965880.db2.gz JEBZIVGGZJKRQQ-BBRMVZONSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H](NC(=O)CCn1cccc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575286474 949983338 /nfs/dbraw/zinc/98/33/38/949983338.db2.gz XAYMFOMIEGWWPS-HNNXBMFYSA-N 0 1 379.468 1.695 20 0 GDADMN C[C@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCCOC1 ZINC001575573733 950000712 /nfs/dbraw/zinc/00/07/12/950000712.db2.gz OKGXZHCDJZEFGJ-KSSFIOAISA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCCOC1 ZINC001575573733 950000734 /nfs/dbraw/zinc/00/07/34/950000734.db2.gz OKGXZHCDJZEFGJ-KSSFIOAISA-N 0 1 390.513 1.729 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccnn1C ZINC001574150254 950024987 /nfs/dbraw/zinc/02/49/87/950024987.db2.gz AUTWLBBEKKYECE-GFCCVEGCSA-N 0 1 388.501 1.596 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccnn1C ZINC001574150254 950025010 /nfs/dbraw/zinc/02/50/10/950025010.db2.gz AUTWLBBEKKYECE-GFCCVEGCSA-N 0 1 388.501 1.596 20 0 GDADMN C[C@@H](CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574491129 950024844 /nfs/dbraw/zinc/02/48/44/950024844.db2.gz AAONVANHSJGRGW-NFOMZHRRSA-N 0 1 380.456 1.443 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCO1 ZINC001574150270 950026293 /nfs/dbraw/zinc/02/62/93/950026293.db2.gz AWCKUXZFDTVUHT-OCCSQVGLSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCO1 ZINC001574150270 950026312 /nfs/dbraw/zinc/02/63/12/950026312.db2.gz AWCKUXZFDTVUHT-OCCSQVGLSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccon1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574730886 950035149 /nfs/dbraw/zinc/03/51/49/950035149.db2.gz SKYNAQLMLOTHEW-SSDOTTSWSA-N 0 1 382.837 1.466 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccon1 ZINC001574150851 950042687 /nfs/dbraw/zinc/04/26/87/950042687.db2.gz FKZYWMJPHRUTCG-CQSZACIVSA-N 0 1 387.419 1.928 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001574491786 950046711 /nfs/dbraw/zinc/04/67/11/950046711.db2.gz FXVZZTTYAOCAIO-TZMCWYRMSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cnccn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575894583 950101271 /nfs/dbraw/zinc/10/12/71/950101271.db2.gz FJPXTQZVRRUTKS-CZUORRHYSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574152737 950118220 /nfs/dbraw/zinc/11/82/20/950118220.db2.gz JAKLKJRWTXVXKC-GDBMZVCRSA-N 0 1 386.504 1.546 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574152737 950118229 /nfs/dbraw/zinc/11/82/29/950118229.db2.gz JAKLKJRWTXVXKC-GDBMZVCRSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@H]1CCN(C(=O)CCC2CCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184947 950146890 /nfs/dbraw/zinc/14/68/90/950146890.db2.gz YVYBOWVYZWFCPM-ZFWWWQNUSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cnc(Cl)s1 ZINC001574737990 950164204 /nfs/dbraw/zinc/16/42/04/950164204.db2.gz AIPUMNQHIPPLDT-MRVPVSSYSA-N 0 1 380.865 1.555 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573844567 950198096 /nfs/dbraw/zinc/19/80/96/950198096.db2.gz BMUCZVKOPMEMIA-MELADBBJSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001574495210 950198454 /nfs/dbraw/zinc/19/84/54/950198454.db2.gz RNIDQBNBTPQVQL-NWDGAFQWSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@@H]1[C@H](NCc2cc(C3CC3)no2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575901201 950223412 /nfs/dbraw/zinc/22/34/12/950223412.db2.gz MCVALCGEGQPQKA-ZWNOBZJWSA-N 0 1 382.428 1.453 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573846147 950245319 /nfs/dbraw/zinc/24/53/19/950245319.db2.gz OYGSOHVKADQIFV-GXTWGEPZSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001574497974 950251581 /nfs/dbraw/zinc/25/15/81/950251581.db2.gz HKOQZLFTUXKPJR-HIFRSBDPSA-N 0 1 387.488 1.179 20 0 GDADMN C[C@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192701 950259980 /nfs/dbraw/zinc/25/99/80/950259980.db2.gz QBXUJEINWKVDIB-NWDGAFQWSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379617741 971649362 /nfs/dbraw/zinc/64/93/62/971649362.db2.gz NNLHUGRGQCPEDG-OCCSQVGLSA-N 0 1 378.454 1.439 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1sccc1F ZINC001574158768 950287592 /nfs/dbraw/zinc/28/75/92/950287592.db2.gz SEBPUSGUIOWJES-JTQLQIEISA-N 0 1 390.448 1.536 20 0 GDADMN C[C@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574742509 950292224 /nfs/dbraw/zinc/29/22/24/950292224.db2.gz MMZBSXZNECDKPK-SNVBAGLBSA-N 0 1 386.485 1.779 20 0 GDADMN C[C@H](CN(C)C(=O)c1c[nH]nc1C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574742509 950292241 /nfs/dbraw/zinc/29/22/41/950292241.db2.gz MMZBSXZNECDKPK-SNVBAGLBSA-N 0 1 386.485 1.779 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905772 950298203 /nfs/dbraw/zinc/29/82/03/950298203.db2.gz FHYFYCCCXSCJNN-ZYHUDNBSSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905772 950298221 /nfs/dbraw/zinc/29/82/21/950298221.db2.gz FHYFYCCCXSCJNN-ZYHUDNBSSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H](CC(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574499450 950302608 /nfs/dbraw/zinc/30/26/08/950302608.db2.gz VRIQGZARWNJWBL-DJJJIMSYSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCC(C)CC1 ZINC001576193924 950316999 /nfs/dbraw/zinc/31/69/99/950316999.db2.gz WHKYLUOWVHQFGC-LBPRGKRZSA-N 0 1 382.465 1.405 20 0 GDADMN C[C@@]1(C(=O)NCCC2(CNc3ccncc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575594509 950333511 /nfs/dbraw/zinc/33/35/11/950333511.db2.gz KMSCHECXTRRCON-GOSISDBHSA-N 0 1 385.472 1.199 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccncc1F ZINC001575908622 950372283 /nfs/dbraw/zinc/37/22/83/950372283.db2.gz VUWAVISXVBLCRF-QMTHXVAHSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccncc1F ZINC001575908622 950372299 /nfs/dbraw/zinc/37/22/99/950372299.db2.gz VUWAVISXVBLCRF-QMTHXVAHSA-N 0 1 387.444 1.855 20 0 GDADMN CC(C)CC1(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)CCC1 ZINC001574162454 950382384 /nfs/dbraw/zinc/38/23/84/950382384.db2.gz AUHSHWMIWNUTKB-KBPBESRZSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574502685 950388421 /nfs/dbraw/zinc/38/84/21/950388421.db2.gz PVXXHPZYMYVRFG-AWEZNQCLSA-N 0 1 380.456 1.263 20 0 GDADMN CC1(C(=O)NC[C@@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)CCO2)CC1 ZINC001575596820 950390081 /nfs/dbraw/zinc/39/00/81/950390081.db2.gz VRPGLBUBQGSROY-MRVPVSSYSA-N 0 1 383.865 1.098 20 0 GDADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001573856810 950396201 /nfs/dbraw/zinc/39/62/01/950396201.db2.gz JSACSTLAYXTAGQ-ZIAGYGMSSA-N 0 1 385.472 1.951 20 0 GDADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001573856810 950396221 /nfs/dbraw/zinc/39/62/21/950396221.db2.gz JSACSTLAYXTAGQ-ZIAGYGMSSA-N 0 1 385.472 1.951 20 0 GDADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573856810 950396245 /nfs/dbraw/zinc/39/62/45/950396245.db2.gz JSACSTLAYXTAGQ-ZIAGYGMSSA-N 0 1 385.472 1.951 20 0 GDADMN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573856810 950396267 /nfs/dbraw/zinc/39/62/67/950396267.db2.gz JSACSTLAYXTAGQ-ZIAGYGMSSA-N 0 1 385.472 1.951 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576197507 950396610 /nfs/dbraw/zinc/39/66/10/950396610.db2.gz PBWASVFTEKNOKX-CQSZACIVSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576197507 950396628 /nfs/dbraw/zinc/39/66/28/950396628.db2.gz PBWASVFTEKNOKX-CQSZACIVSA-N 0 1 384.488 1.397 20 0 GDADMN CC1(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575597283 950407607 /nfs/dbraw/zinc/40/76/07/950407607.db2.gz NYAZLZOEQPMRHF-WDEREUQCSA-N 0 1 392.414 1.211 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1ccc(F)cc1F ZINC001574747742 950414500 /nfs/dbraw/zinc/41/45/00/950414500.db2.gz WQRKRYJCRINHKL-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574503690 950417618 /nfs/dbraw/zinc/41/76/18/950417618.db2.gz YSWIKIGGLJSZRF-STQMWFEESA-N 0 1 382.428 1.529 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(F)cc(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574750573 950431495 /nfs/dbraw/zinc/43/14/95/950431495.db2.gz DAGRYFOBRMNPRN-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CC(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574506776 950441040 /nfs/dbraw/zinc/44/10/40/950441040.db2.gz FMDRIPHFXMRDGY-OLZOCXBDSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(C)OC(=O)N[C@H]1CCCN(C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573862495 950467042 /nfs/dbraw/zinc/46/70/42/950467042.db2.gz UCOCGAKBWFBYLM-JKSUJKDBSA-N 0 1 388.472 1.889 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC(F)(F)CC1 ZINC001575607114 950503482 /nfs/dbraw/zinc/50/34/82/950503482.db2.gz HTHHFIHTOOBWPS-XYPYZODXSA-N 0 1 392.414 1.353 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Br)co1)Nc1ccncc1-c1nn[nH]n1 ZINC001574995660 950509117 /nfs/dbraw/zinc/50/91/17/950509117.db2.gz GENHKMMYDLHUSN-QMMMGPOBSA-N 0 1 392.217 1.270 20 0 GDADMN C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001574995395 950512039 /nfs/dbraw/zinc/51/20/39/950512039.db2.gz FOOSTWTVFTYMKP-MRVPVSSYSA-N 0 1 391.233 1.005 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575609560 950526020 /nfs/dbraw/zinc/52/60/20/950526020.db2.gz YAOUEAPIBJTNLS-LAPQFRIASA-N 0 1 390.451 1.042 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753796 950546815 /nfs/dbraw/zinc/54/68/15/950546815.db2.gz SMCLHPPNZSSCNV-GFCCVEGCSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207132 950587200 /nfs/dbraw/zinc/58/72/00/950587200.db2.gz CWJCVGRTWAFYNO-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207132 950587247 /nfs/dbraw/zinc/58/72/47/950587247.db2.gz CWJCVGRTWAFYNO-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207132 950587263 /nfs/dbraw/zinc/58/72/63/950587263.db2.gz CWJCVGRTWAFYNO-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN CC1(C)C(C(=O)NC[C@@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)C1(C)C ZINC001575618206 950607342 /nfs/dbraw/zinc/60/73/42/950607342.db2.gz HXZGJXAEGGBRDQ-LBPRGKRZSA-N 0 1 390.463 1.255 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574758419 950612334 /nfs/dbraw/zinc/61/23/34/950612334.db2.gz CMDAGQQYSZAXCU-GFCCVEGCSA-N 0 1 379.424 1.191 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCC1CCCCC1 ZINC001575919394 950613908 /nfs/dbraw/zinc/61/39/08/950613908.db2.gz HPZXYWTXJCNKHG-HIFRSBDPSA-N 0 1 384.488 1.840 20 0 GDADMN CC(C)(C)OCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001573871519 950617470 /nfs/dbraw/zinc/61/74/70/950617470.db2.gz QNRDTOGMFNSTPA-UHFFFAOYSA-N 0 1 388.476 1.125 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C(F)(F)F ZINC001574515202 950624241 /nfs/dbraw/zinc/62/42/41/950624241.db2.gz BYIYBIXDAWVUPW-GJTWSCIVSA-N 0 1 381.362 1.401 20 0 GDADMN C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001236 950628952 /nfs/dbraw/zinc/62/89/52/950628952.db2.gz IXBOZHVVPKACPW-LLVKDONJSA-N 0 1 385.497 1.995 20 0 GDADMN C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001236 950628967 /nfs/dbraw/zinc/62/89/67/950628967.db2.gz IXBOZHVVPKACPW-LLVKDONJSA-N 0 1 385.497 1.995 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCCO1 ZINC001574516192 950631717 /nfs/dbraw/zinc/63/17/17/950631717.db2.gz GKDLKCLVXJSKCE-VTGNEUPOSA-N 0 1 383.456 1.018 20 0 GDADMN CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cc(C(=O)[O-])n[nH]3)cc2)CC1 ZINC001589743840 950635308 /nfs/dbraw/zinc/63/53/08/950635308.db2.gz CAGNWYQFRNBVPI-UHFFFAOYSA-N 0 1 385.424 1.067 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575922392 950644399 /nfs/dbraw/zinc/64/43/99/950644399.db2.gz PILNRHJLGKPYDI-RNCFNFMXSA-N 0 1 386.366 1.072 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574518690 950655495 /nfs/dbraw/zinc/65/54/95/950655495.db2.gz PQXIFAQJDPPMES-YUELXQCFSA-N 0 1 378.440 1.332 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CC1 ZINC001574518749 950662088 /nfs/dbraw/zinc/66/20/88/950662088.db2.gz QWPAGDJQYCDGSM-GLCQIGPWSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cn(C)cn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574760591 950673776 /nfs/dbraw/zinc/67/37/76/950673776.db2.gz JORLISYKUKVJOA-ZETCQYMHSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccsn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574761152 950691670 /nfs/dbraw/zinc/69/16/70/950691670.db2.gz RGHSGSORXNIJAT-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576215360 950694940 /nfs/dbraw/zinc/69/49/40/950694940.db2.gz AQZWFGHNFGZWIJ-OCCSQVGLSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C)CC(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCOCC2)C1 ZINC001575628823 950729005 /nfs/dbraw/zinc/72/90/05/950729005.db2.gz HVHVYHCZPHFEEZ-UHFFFAOYSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926983 950731640 /nfs/dbraw/zinc/73/16/40/950731640.db2.gz NBVACXYTDAASFY-GWCFXTLKSA-N 0 1 380.412 1.264 20 0 GDADMN CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)[nH]n1 ZINC001573880117 950742608 /nfs/dbraw/zinc/74/26/08/950742608.db2.gz SNNSMIJIOKIRFW-PHIMTYICSA-N 0 1 381.444 1.077 20 0 GDADMN COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000312605545 950762982 /nfs/dbraw/zinc/76/29/82/950762982.db2.gz SZKPDWNDCPJRPO-PXNSSMCTSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575928085 950774024 /nfs/dbraw/zinc/77/40/24/950774024.db2.gz YLBFHFLXZIUZPC-GWCFXTLKSA-N 0 1 380.412 1.264 20 0 GDADMN C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCc1cnc[nH]1 ZINC001575934774 950867445 /nfs/dbraw/zinc/86/74/45/950867445.db2.gz TWTFEGUJLSSFCC-YGRLFVJLSA-N 0 1 385.407 1.158 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576222359 950869865 /nfs/dbraw/zinc/86/98/65/950869865.db2.gz YHKARSMXAIALKT-UWVGGRQHSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576226482 950885254 /nfs/dbraw/zinc/88/52/54/950885254.db2.gz BSIDZVROLYNKQN-IUODEOHRSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576226482 950885270 /nfs/dbraw/zinc/88/52/70/950885270.db2.gz BSIDZVROLYNKQN-IUODEOHRSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)CCCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574189574 950888616 /nfs/dbraw/zinc/88/86/16/950888616.db2.gz NYDMFUGFIJEBFK-UHFFFAOYSA-N 0 1 387.488 1.587 20 0 GDADMN CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590345390 950900108 /nfs/dbraw/zinc/90/01/08/950900108.db2.gz AVKMOSLKUMZVSP-AAEUAGOBSA-N 0 1 396.406 1.952 20 0 GDADMN CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590345390 950900120 /nfs/dbraw/zinc/90/01/20/950900120.db2.gz AVKMOSLKUMZVSP-AAEUAGOBSA-N 0 1 396.406 1.952 20 0 GDADMN CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590345392 950900553 /nfs/dbraw/zinc/90/05/53/950900553.db2.gz AVKMOSLKUMZVSP-WCQYABFASA-N 0 1 396.406 1.952 20 0 GDADMN CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590345392 950900560 /nfs/dbraw/zinc/90/05/60/950900560.db2.gz AVKMOSLKUMZVSP-WCQYABFASA-N 0 1 396.406 1.952 20 0 GDADMN CC(C)(C)n1cc(CNCC=CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001573893906 950911277 /nfs/dbraw/zinc/91/12/77/950911277.db2.gz BKRVTFPODYEZOX-PLNGDYQASA-N 0 1 383.460 1.222 20 0 GDADMN CC(C)CCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574190465 950913226 /nfs/dbraw/zinc/91/32/26/950913226.db2.gz YDFYRJYYYNMGCE-SFHVURJKSA-N 0 1 388.476 1.195 20 0 GDADMN CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)CC(F)F ZINC001573897493 950964937 /nfs/dbraw/zinc/96/49/37/950964937.db2.gz RASIULQJTQYGSP-JTQLQIEISA-N 0 1 380.403 1.423 20 0 GDADMN CC(C)(CC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573897810 950965881 /nfs/dbraw/zinc/96/58/81/950965881.db2.gz TVPJQAWUBUUWOM-JSGCOSHPSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)CCCN1CCO[C@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574195409 950983708 /nfs/dbraw/zinc/98/37/08/950983708.db2.gz NIONUEYKFKIEOI-GOSISDBHSA-N 0 1 375.477 1.452 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N[C@@H](C)c1ccc(F)cc1F ZINC001575019164 951034911 /nfs/dbraw/zinc/03/49/11/951034911.db2.gz SLKXHGLIWZFDAQ-UWVGGRQHSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575020205 951055145 /nfs/dbraw/zinc/05/51/45/951055145.db2.gz ZTRDMSCZCHDMTF-MRVPVSSYSA-N 0 1 378.343 1.442 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575024389 951102029 /nfs/dbraw/zinc/10/20/29/951102029.db2.gz CRXDMZQXFDVVLN-GFCCVEGCSA-N 0 1 379.424 1.451 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CO1 ZINC001595000498 951115924 /nfs/dbraw/zinc/11/59/24/951115924.db2.gz CHSACXWKIIHUPT-HCXYKTFWSA-N 0 1 390.480 1.256 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(C(F)F)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025833 951132671 /nfs/dbraw/zinc/13/26/71/951132671.db2.gz BQYOAUUZPPEYRA-SNVBAGLBSA-N 0 1 388.382 1.494 20 0 GDADMN C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575035541 951277593 /nfs/dbraw/zinc/27/75/93/951277593.db2.gz KFMZMERJXJIFIX-NSHDSACASA-N 0 1 379.428 1.184 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575042400 951363490 /nfs/dbraw/zinc/36/34/90/951363490.db2.gz JEKWQNPNSJENOT-NSHDSACASA-N 0 1 388.501 1.693 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575042400 951363503 /nfs/dbraw/zinc/36/35/03/951363503.db2.gz JEKWQNPNSJENOT-NSHDSACASA-N 0 1 388.501 1.693 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575047152 951452246 /nfs/dbraw/zinc/45/22/46/951452246.db2.gz XZSHZJYOOGUWDP-NSHDSACASA-N 0 1 384.419 1.057 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)cn1 ZINC001575051980 951457684 /nfs/dbraw/zinc/45/76/84/951457684.db2.gz CPVPTECWAFCHFW-GFCCVEGCSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575052393 951464611 /nfs/dbraw/zinc/46/46/11/951464611.db2.gz IEVJELNHJWWIGD-GFCCVEGCSA-N 0 1 381.444 1.083 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001575052627 951469389 /nfs/dbraw/zinc/46/93/89/951469389.db2.gz MTNTWCODJREMSR-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001575052627 951469401 /nfs/dbraw/zinc/46/94/01/951469401.db2.gz MTNTWCODJREMSR-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@H](CNC(=O)c1cnsn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055315 951504386 /nfs/dbraw/zinc/50/43/86/951504386.db2.gz QDRZZQGAVHZFHG-SECBINFHSA-N 0 1 376.421 1.108 20 0 GDADMN C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575064806 951578281 /nfs/dbraw/zinc/57/82/81/951578281.db2.gz DIIIQCFUCBJQLE-MRVPVSSYSA-N 0 1 378.343 1.087 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575067846 951623672 /nfs/dbraw/zinc/62/36/72/951623672.db2.gz PNHLWZOSZOTYAV-LURJTMIESA-N 0 1 380.821 1.308 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC001595074225 951627749 /nfs/dbraw/zinc/62/77/49/951627749.db2.gz OQARSLGZHQCDJX-HUUCEWRRSA-N 0 1 375.473 1.717 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC001595074225 951627756 /nfs/dbraw/zinc/62/77/56/951627756.db2.gz OQARSLGZHQCDJX-HUUCEWRRSA-N 0 1 375.473 1.717 20 0 GDADMN CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC[N@@H+]2CCC1(C(=O)[O-])CCC1 ZINC001602881840 971762799 /nfs/dbraw/zinc/76/27/99/971762799.db2.gz MHKDGETXPPYRCM-UHFFFAOYSA-N 0 1 381.473 1.443 20 0 GDADMN CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC[N@H+]2CCC1(C(=O)[O-])CCC1 ZINC001602881840 971762805 /nfs/dbraw/zinc/76/28/05/971762805.db2.gz MHKDGETXPPYRCM-UHFFFAOYSA-N 0 1 381.473 1.443 20 0 GDADMN O=C([O-])CN1CC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC001595079900 951671145 /nfs/dbraw/zinc/67/11/45/951671145.db2.gz XBBVDYZYPMQBBR-NEPJUHHUSA-N 0 1 380.750 1.667 20 0 GDADMN C[C@@H](CNCc1cc(O)ccc1Cl)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575082148 951730515 /nfs/dbraw/zinc/73/05/15/951730515.db2.gz UYEACVYGZBPUSH-JTQLQIEISA-N 0 1 389.847 1.804 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575090956 951766965 /nfs/dbraw/zinc/76/69/65/951766965.db2.gz ONNCSKFOQKYUBQ-QGZVFWFLSA-N 0 1 386.485 1.199 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575090956 951766967 /nfs/dbraw/zinc/76/69/67/951766967.db2.gz ONNCSKFOQKYUBQ-QGZVFWFLSA-N 0 1 386.485 1.199 20 0 GDADMN O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1=O ZINC001595091967 951785522 /nfs/dbraw/zinc/78/55/22/951785522.db2.gz XFQZUMDKODPQKX-DLBZAZTESA-N 0 1 394.516 1.548 20 0 GDADMN C[C@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099611 951837211 /nfs/dbraw/zinc/83/72/11/951837211.db2.gz OBWOZWAXLDVQJF-GXTWGEPZSA-N 0 1 390.513 1.587 20 0 GDADMN C[C@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099611 951837219 /nfs/dbraw/zinc/83/72/19/951837219.db2.gz OBWOZWAXLDVQJF-GXTWGEPZSA-N 0 1 390.513 1.587 20 0 GDADMN C[C@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099777 951840144 /nfs/dbraw/zinc/84/01/44/951840144.db2.gz OKRGQMHRAWYLKJ-QWHCGFSZSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@H](CNC(=O)CC[C@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099777 951840149 /nfs/dbraw/zinc/84/01/49/951840149.db2.gz OKRGQMHRAWYLKJ-QWHCGFSZSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099786 951840350 /nfs/dbraw/zinc/84/03/50/951840350.db2.gz ONLLPTFXGXPRCP-MRVPVSSYSA-N 0 1 381.849 1.725 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099786 951840363 /nfs/dbraw/zinc/84/03/63/951840363.db2.gz ONLLPTFXGXPRCP-MRVPVSSYSA-N 0 1 381.849 1.725 20 0 GDADMN CC(C)n1ccc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001575101364 951858335 /nfs/dbraw/zinc/85/83/35/951858335.db2.gz CHRKIGNWJOYTAT-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1ccc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001575101364 951858342 /nfs/dbraw/zinc/85/83/42/951858342.db2.gz CHRKIGNWJOYTAT-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ncccc1F ZINC001575101735 951863295 /nfs/dbraw/zinc/86/32/95/951863295.db2.gz IZOVJOJVAYJSJT-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ncccc1F ZINC001575101735 951863304 /nfs/dbraw/zinc/86/33/04/951863304.db2.gz IZOVJOJVAYJSJT-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575104268 951883526 /nfs/dbraw/zinc/88/35/26/951883526.db2.gz YULYSIHLYYRQGE-DWQUBVKVSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575104268 951883537 /nfs/dbraw/zinc/88/35/37/951883537.db2.gz YULYSIHLYYRQGE-DWQUBVKVSA-N 0 1 390.513 1.824 20 0 GDADMN O=C([O-])COCCOCCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001595114137 951934080 /nfs/dbraw/zinc/93/40/80/951934080.db2.gz QZLLFIZIMFRKPT-MSOLQXFVSA-N 0 1 391.468 1.020 20 0 GDADMN C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC001575125549 952045233 /nfs/dbraw/zinc/04/52/33/952045233.db2.gz OLDDONPVEZCGBN-MRVPVSSYSA-N 0 1 377.359 1.495 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC1=CCCCC1)C1CC1 ZINC001575133824 952107827 /nfs/dbraw/zinc/10/78/27/952107827.db2.gz GVNPOXGOEHQNAQ-LJQANCHMSA-N 0 1 382.472 1.666 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575141579 952145698 /nfs/dbraw/zinc/14/56/98/952145698.db2.gz IFHXNLYQGPDALT-VHDGCEQUSA-N 0 1 378.440 1.141 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575143808 952157563 /nfs/dbraw/zinc/15/75/63/952157563.db2.gz CSEIAWYCESXATI-ZDUSSCGKSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575143885 952159444 /nfs/dbraw/zinc/15/94/44/952159444.db2.gz DKMGBAVZYYRWDQ-GOSISDBHSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575144190 952162942 /nfs/dbraw/zinc/16/29/42/952162942.db2.gz UQQDWBFZMYDBGH-KRWDZBQOSA-N 0 1 384.469 1.080 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001575144575 952167516 /nfs/dbraw/zinc/16/75/16/952167516.db2.gz JBLYNLRYKAKAAL-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc(C(F)F)c1 ZINC001575145491 952185566 /nfs/dbraw/zinc/18/55/66/952185566.db2.gz YRGMIQHRUYUYOA-JTQLQIEISA-N 0 1 388.382 1.589 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575145619 952187564 /nfs/dbraw/zinc/18/75/64/952187564.db2.gz BFNLQZMBIHSGKF-SECBINFHSA-N 0 1 391.357 1.674 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575145993 952190506 /nfs/dbraw/zinc/19/05/06/952190506.db2.gz FIBQVSHLJXCSNR-VHDGCEQUSA-N 0 1 378.440 1.141 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001575148153 952202445 /nfs/dbraw/zinc/20/24/45/952202445.db2.gz YEMDPXAGNHAWQI-LLVKDONJSA-N 0 1 377.412 1.133 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)COCC1CC1 ZINC001575164503 952293640 /nfs/dbraw/zinc/29/36/40/952293640.db2.gz DZNIYNNKBZRJRZ-MRVPVSSYSA-N 0 1 385.881 1.662 20 0 GDADMN CC(C)(C)OC(=O)N[C@H](C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CC(F)(F)F ZINC001602895609 971820843 /nfs/dbraw/zinc/82/08/43/971820843.db2.gz LRMNTLOPLDJUKJ-PGUXBMHVSA-N 0 1 382.379 1.865 20 0 GDADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)[O-])CC2)C12CCOCC2 ZINC001602902549 971825995 /nfs/dbraw/zinc/82/59/95/971825995.db2.gz BUUIHJOPXUUICK-CVEARBPZSA-N 0 1 397.516 1.587 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188555 952448460 /nfs/dbraw/zinc/44/84/60/952448460.db2.gz JKJWSFHCVVOFDN-QWHCGFSZSA-N 0 1 383.431 1.618 20 0 GDADMN C[C@]12CN(C(=O)[C@H]3CC3(F)F)C[C@H]1CN(c1ccncc1-c1nn[nH]n1)C2 ZINC001571115579 952469399 /nfs/dbraw/zinc/46/93/99/952469399.db2.gz YIZACZMIFOWONQ-SIVJFFJCSA-N 0 1 375.383 1.202 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001575195394 952472138 /nfs/dbraw/zinc/47/21/38/952472138.db2.gz ASKBPOILQHJLAT-RRFJBIMHSA-N 0 1 395.467 1.922 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575197032 952479576 /nfs/dbraw/zinc/47/95/76/952479576.db2.gz MCSOSOPGEPTKRV-CHWSQXEVSA-N 0 1 382.428 1.071 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575197304 952481547 /nfs/dbraw/zinc/48/15/47/952481547.db2.gz SJTAMNXSWBMUQB-OLZOCXBDSA-N 0 1 382.428 1.214 20 0 GDADMN CN(C(=O)c1cncs1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571118767 952489821 /nfs/dbraw/zinc/48/98/21/952489821.db2.gz ZTIYCMMJCGNSTB-UHFFFAOYSA-N 0 1 375.483 1.778 20 0 GDADMN CN(C(=O)c1cncs1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571118767 952489824 /nfs/dbraw/zinc/48/98/24/952489824.db2.gz ZTIYCMMJCGNSTB-UHFFFAOYSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200197 952492224 /nfs/dbraw/zinc/49/22/24/952492224.db2.gz ACDCFBXWUPPPQV-JSGCOSHPSA-N 0 1 381.444 1.267 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575200430 952495647 /nfs/dbraw/zinc/49/56/47/952495647.db2.gz JKHLOZBLTLATCW-LRDDRELGSA-N 0 1 383.460 1.416 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC1(F)F ZINC001571120050 952498358 /nfs/dbraw/zinc/49/83/58/952498358.db2.gz IPOCHJIQQSAQFF-HUUCEWRRSA-N 0 1 376.411 1.993 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001575201667 952507262 /nfs/dbraw/zinc/50/72/62/952507262.db2.gz KBNPGSWBUPGRTO-OLZOCXBDSA-N 0 1 381.444 1.267 20 0 GDADMN CC(C)[C@@H](F)C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571121663 952520637 /nfs/dbraw/zinc/52/06/37/952520637.db2.gz BJMUHCLJFZBEKK-GXTWGEPZSA-N 0 1 376.440 1.113 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575203324 952520789 /nfs/dbraw/zinc/52/07/89/952520789.db2.gz TZSDFZTWCOQIAU-AWEZNQCLSA-N 0 1 380.456 1.113 20 0 GDADMN O=C(c1csnn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123437 952530562 /nfs/dbraw/zinc/53/05/62/952530562.db2.gz RZHVRUWTWRIJLH-VIFPVBQESA-N 0 1 376.471 1.032 20 0 GDADMN O=C(c1csnn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123437 952530567 /nfs/dbraw/zinc/53/05/67/952530567.db2.gz RZHVRUWTWRIJLH-VIFPVBQESA-N 0 1 376.471 1.032 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123836 952532262 /nfs/dbraw/zinc/53/22/62/952532262.db2.gz WQVPZNABGLRGJV-BNOWGMLFSA-N 0 1 376.486 1.528 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123836 952532264 /nfs/dbraw/zinc/53/22/64/952532264.db2.gz WQVPZNABGLRGJV-BNOWGMLFSA-N 0 1 376.486 1.528 20 0 GDADMN CO[C@H](C)C(=O)N1CC[C@@H](CN(C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571123701 952532527 /nfs/dbraw/zinc/53/25/27/952532527.db2.gz UMYYOIGJWOSHPR-OLZOCXBDSA-N 0 1 376.436 1.321 20 0 GDADMN CO[C@H](C)C(=O)N1CC[C@H](CN(C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571123700 952532939 /nfs/dbraw/zinc/53/29/39/952532939.db2.gz UMYYOIGJWOSHPR-CHWSQXEVSA-N 0 1 376.436 1.321 20 0 GDADMN O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001571127318 952554216 /nfs/dbraw/zinc/55/42/16/952554216.db2.gz CUKMXTDPOASLNA-KRWDZBQOSA-N 0 1 377.452 1.790 20 0 GDADMN O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001571127318 952554220 /nfs/dbraw/zinc/55/42/20/952554220.db2.gz CUKMXTDPOASLNA-KRWDZBQOSA-N 0 1 377.452 1.790 20 0 GDADMN O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001571127318 952554222 /nfs/dbraw/zinc/55/42/22/952554222.db2.gz CUKMXTDPOASLNA-KRWDZBQOSA-N 0 1 377.452 1.790 20 0 GDADMN O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001571127318 952554225 /nfs/dbraw/zinc/55/42/25/952554225.db2.gz CUKMXTDPOASLNA-KRWDZBQOSA-N 0 1 377.452 1.790 20 0 GDADMN C[C@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)Cc2ccccc2)C1 ZINC001571128434 952567382 /nfs/dbraw/zinc/56/73/82/952567382.db2.gz RXRINPOXFVFRGL-HXUWFJFHSA-N 0 1 377.452 1.577 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575215074 952567910 /nfs/dbraw/zinc/56/79/10/952567910.db2.gz SLOHCLJOYQPCDI-PHIMTYICSA-N 0 1 379.415 1.672 20 0 GDADMN Cc1cc(N2CCC3(C[C@@H]3NC(=O)c3ccc[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134587 952593002 /nfs/dbraw/zinc/59/30/02/952593002.db2.gz HLPBSSGKDHLIHJ-INIZCTEOSA-N 0 1 378.440 1.687 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571134802 952594684 /nfs/dbraw/zinc/59/46/84/952594684.db2.gz MZRFQCZXWDPZQD-LSDHHAIUSA-N 0 1 378.440 1.473 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)c1 ZINC001571134810 952595159 /nfs/dbraw/zinc/59/51/59/952595159.db2.gz NDJKRCJKEXOSAI-ZFWWWQNUSA-N 0 1 378.440 1.350 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)[C@H](C)c3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135375 952603524 /nfs/dbraw/zinc/60/35/24/952603524.db2.gz WEANAVQOHGBDOH-HIFRSBDPSA-N 0 1 378.440 1.464 20 0 GDADMN Cc1nnccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571140514 952626378 /nfs/dbraw/zinc/62/63/78/952626378.db2.gz BRVVDQOBUWTSNN-OAHLLOKOSA-N 0 1 378.440 1.360 20 0 GDADMN Cc1ccc([C@@H](C)C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)o1 ZINC001571141226 952631770 /nfs/dbraw/zinc/63/17/70/952631770.db2.gz IRMPJJDKKLITEI-CVGURMSBSA-N 0 1 379.424 1.518 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1ncoc1C1CC1 ZINC001571142036 952637721 /nfs/dbraw/zinc/63/77/21/952637721.db2.gz OEPGTVNICZISAB-CQSZACIVSA-N 0 1 379.424 1.736 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571142153 952638674 /nfs/dbraw/zinc/63/86/74/952638674.db2.gz QBIURHFUVNXMDT-BRXULGCHSA-N 0 1 379.424 1.339 20 0 GDADMN O=C(Cc1ccc[nH]1)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571142680 952644896 /nfs/dbraw/zinc/64/48/96/952644896.db2.gz VFUWRHLPVHZCON-SECBINFHSA-N 0 1 378.849 1.242 20 0 GDADMN O=C(c1ccoc1)N1C[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C1 ZINC001571147808 952664654 /nfs/dbraw/zinc/66/46/54/952664654.db2.gz QKLZPIQDKZEMPP-VBNZEHGJSA-N 0 1 379.424 1.629 20 0 GDADMN O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571148450 952667644 /nfs/dbraw/zinc/66/76/44/952667644.db2.gz ZULRYXCKQJKXJG-MGPQQGTHSA-N 0 1 379.424 1.483 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@H]1C[C@H]1C1CCC1 ZINC001571151348 952674521 /nfs/dbraw/zinc/67/45/21/952674521.db2.gz PIUAMWYVGPUAEN-SSRUIJIPSA-N 0 1 379.468 1.496 20 0 GDADMN Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C4CC4)CC2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571151558 952675237 /nfs/dbraw/zinc/67/52/37/952675237.db2.gz QOAVRYRXKFTIHK-KBMXLJTQSA-N 0 1 379.468 1.986 20 0 GDADMN O=C(N[C@@]12CCC[C@H]1N(Cc1cc(F)ccc1-c1nn[nH]n1)CC2)C(F)F ZINC001571152668 952684000 /nfs/dbraw/zinc/68/40/00/952684000.db2.gz JSPRUKSCGSIKMT-CXAGYDPISA-N 0 1 380.374 1.884 20 0 GDADMN COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C(C)(F)F)C2)cc1-c1nn[nH]n1 ZINC001571154862 952690840 /nfs/dbraw/zinc/69/08/40/952690840.db2.gz CNFFUAYJBZBKDP-ZWNOBZJWSA-N 0 1 380.399 1.467 20 0 GDADMN Cc1n[nH]cc1C(=O)N1[C@@H]2CC[C@H]1CN(c1cc(C)[nH+]cc1-c1nnn[n-]1)C2 ZINC001571156524 952702204 /nfs/dbraw/zinc/70/22/04/952702204.db2.gz CRGCJRQOADIEMC-BETUJISGSA-N 0 1 379.428 1.095 20 0 GDADMN Cc1cncc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571156852 952705511 /nfs/dbraw/zinc/70/55/11/952705511.db2.gz LIKSAFYBXFYGHA-CQSZACIVSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cc(N(C)[C@H]2CCCN(C(=O)c3cnccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158087 952710291 /nfs/dbraw/zinc/71/02/91/952710291.db2.gz QRSFQKNXDHUCQN-ZDUSSCGKSA-N 0 1 379.428 1.101 20 0 GDADMN O=C(N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@]1(F)CCOC1 ZINC001571166515 952762376 /nfs/dbraw/zinc/76/23/76/952762376.db2.gz MQLLKODUYPWFRS-BDJLRTHQSA-N 0 1 380.449 1.137 20 0 GDADMN O=C(N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@]1(F)CCOC1 ZINC001571166515 952762383 /nfs/dbraw/zinc/76/23/83/952762383.db2.gz MQLLKODUYPWFRS-BDJLRTHQSA-N 0 1 380.449 1.137 20 0 GDADMN Cc1cc(N[C@H]2CC[C@H](NC(=O)Cc3ccc[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169518 952775053 /nfs/dbraw/zinc/77/50/53/952775053.db2.gz FMGGBWRPXPXHTN-HDJSIYSDSA-N 0 1 380.456 1.402 20 0 GDADMN CCn1cccc1C(=O)N[C@H]1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571169650 952776990 /nfs/dbraw/zinc/77/69/90/952776990.db2.gz JLSNNNYRMGUUIF-ZFWWWQNUSA-N 0 1 380.456 1.516 20 0 GDADMN O=C(CCn1cccc1)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571172221 952804642 /nfs/dbraw/zinc/80/46/42/952804642.db2.gz PTMRJXDGEJWSCX-OAHLLOKOSA-N 0 1 380.456 1.226 20 0 GDADMN O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C1C=CC=CC=C1 ZINC001571172385 952807312 /nfs/dbraw/zinc/80/73/12/952807312.db2.gz URRVVZBSPPRRBI-QLPKVWCKSA-N 0 1 380.477 1.773 20 0 GDADMN O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C1C=CC=CC=C1 ZINC001571172385 952807317 /nfs/dbraw/zinc/80/73/17/952807317.db2.gz URRVVZBSPPRRBI-QLPKVWCKSA-N 0 1 380.477 1.773 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccncc2)CCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571178399 952840910 /nfs/dbraw/zinc/84/09/10/952840910.db2.gz HPSODLINYHZLJD-PXAZEXFGSA-N 0 1 381.415 1.794 20 0 GDADMN C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1NC(=O)c1ccccn1 ZINC001571178526 952841726 /nfs/dbraw/zinc/84/17/26/952841726.db2.gz LXKWJBPIWQIFKS-SJKOYZFVSA-N 0 1 381.415 1.651 20 0 GDADMN Cc1ccc(CC(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H](C)C2)o1 ZINC001571179216 952850844 /nfs/dbraw/zinc/85/08/44/952850844.db2.gz ACNFPWSCRXGOAQ-GTNSWQLSSA-N 0 1 381.440 1.395 20 0 GDADMN Cc1noc(C)c1C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571181398 952863953 /nfs/dbraw/zinc/86/39/53/952863953.db2.gz WCWILUXHHRKFJO-UHFFFAOYSA-N 0 1 381.440 1.820 20 0 GDADMN CC(C)n1nccc1C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571184420 952894346 /nfs/dbraw/zinc/89/43/46/952894346.db2.gz YUWCTGFTKVICAJ-WFASDCNBSA-N 0 1 381.444 1.034 20 0 GDADMN Cc1c(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571184635 952895412 /nfs/dbraw/zinc/89/54/12/952895412.db2.gz BZODGWOCPUSYLM-DGCLKSJQSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1ccn(C)c1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571188385 952913375 /nfs/dbraw/zinc/91/33/75/952913375.db2.gz KCIPSCGQRNVCTC-CYBMUJFWSA-N 0 1 381.444 1.093 20 0 GDADMN Cc1nc(N[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H](C)C2)ccc1-c1nn[nH]n1 ZINC001571188766 952919226 /nfs/dbraw/zinc/91/92/26/952919226.db2.gz IKMNXXUFOAVAIP-WCQYABFASA-N 0 1 381.444 1.327 20 0 GDADMN Cc1nc(N[C@H]2CCN(C(=O)Cc3ccn[nH]3)[C@H](C)C2)ccc1-c1nn[nH]n1 ZINC001571188767 952919329 /nfs/dbraw/zinc/91/93/29/952919329.db2.gz IKMNXXUFOAVAIP-YPMHNXCESA-N 0 1 381.444 1.327 20 0 GDADMN O=C(N[C@H]1CCCC[C@@H]1CNCc1ncccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571189769 952935355 /nfs/dbraw/zinc/93/53/55/952935355.db2.gz UEGPHZLSSIJKQZ-OCCSQVGLSA-N 0 1 381.444 1.063 20 0 GDADMN O=C([C@H](F)c1ccccc1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571197165 952987188 /nfs/dbraw/zinc/98/71/88/952987188.db2.gz TUVUDWSKXJHPHZ-DZGCQCFKSA-N 0 1 382.403 1.192 20 0 GDADMN CCc1nc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H](C)C2)co1 ZINC001571199015 952995466 /nfs/dbraw/zinc/99/54/66/952995466.db2.gz JXLZREHUQZIMGF-YPMHNXCESA-N 0 1 382.428 1.197 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)oc1C ZINC001571200545 953009830 /nfs/dbraw/zinc/00/98/30/953009830.db2.gz DIMWOCYDUMPBHD-CYBMUJFWSA-N 0 1 382.428 1.253 20 0 GDADMN CCCc1cc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571200795 953011878 /nfs/dbraw/zinc/01/18/78/953011878.db2.gz LVTSBNFRXYTGDP-GFCCVEGCSA-N 0 1 382.428 1.341 20 0 GDADMN Cc1ccc(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571201056 953014188 /nfs/dbraw/zinc/01/41/88/953014188.db2.gz IZIANDBVUQIIAG-ZDUSSCGKSA-N 0 1 382.428 1.477 20 0 GDADMN Cc1cc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571201092 953015096 /nfs/dbraw/zinc/01/50/96/953015096.db2.gz JQVITKFTBSKNIG-HZPDHXFCSA-N 0 1 382.428 1.370 20 0 GDADMN Cc1ncc(CC(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571201390 953017397 /nfs/dbraw/zinc/01/73/97/953017397.db2.gz LTFADCLRJDIFFI-ZDUSSCGKSA-N 0 1 382.428 1.194 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1-c1nn[nH]n1)c1n[nH]cc1F ZINC001571202425 953025330 /nfs/dbraw/zinc/02/53/30/953025330.db2.gz WOYUWKJEDUUFMQ-UGFHNGPFSA-N 0 1 382.403 1.264 20 0 GDADMN Cc1cc(NC[C@@H]2CCN(C(=O)c3ccon3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202593 953026872 /nfs/dbraw/zinc/02/68/72/953026872.db2.gz VNZYJWNCOIEYBX-AAEUAGOBSA-N 0 1 382.428 1.190 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccsc1 ZINC001571210689 953074284 /nfs/dbraw/zinc/07/42/84/953074284.db2.gz VQKLDFWIGYPEID-WUWHUORYSA-N 0 1 382.453 1.073 20 0 GDADMN C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571214493 953102643 /nfs/dbraw/zinc/10/26/43/953102643.db2.gz ZYLJSNWQXIKIPK-GXTWGEPZSA-N 0 1 382.472 1.165 20 0 GDADMN CC[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)O1 ZINC001571231126 953183605 /nfs/dbraw/zinc/18/36/05/953183605.db2.gz SZGCJVCYFKOJCN-YIUHCBHRSA-N 0 1 383.456 1.079 20 0 GDADMN Cc1cc(NC2CC(N(C)C(=O)Cc3cccs3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233862 953196586 /nfs/dbraw/zinc/19/65/86/953196586.db2.gz GHYSLYRATIWFNZ-UHFFFAOYSA-N 0 1 383.481 1.698 20 0 GDADMN Cc1nscc1C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233914 953197068 /nfs/dbraw/zinc/19/70/68/953197068.db2.gz HQOXMESTVUGYBK-OAHLLOKOSA-N 0 1 383.481 1.978 20 0 GDADMN Cc1cc(C(=O)N[C@@H](C)C2CN(Cc3ccc(-c4nn[nH]n4)s3)C2)ccn1 ZINC001571234019 953198190 /nfs/dbraw/zinc/19/81/90/953198190.db2.gz KTGCPSSGWYIHDR-LBPRGKRZSA-N 0 1 383.481 1.882 20 0 GDADMN Cc1cc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)cs1 ZINC001571234397 953201549 /nfs/dbraw/zinc/20/15/49/953201549.db2.gz WDHJMNVZGPLRCS-CZUORRHYSA-N 0 1 383.481 1.911 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571235175 953209520 /nfs/dbraw/zinc/20/95/20/953209520.db2.gz VZTCTIRFSQRXLG-VIKVFOODSA-N 0 1 383.843 1.708 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571235324 953211545 /nfs/dbraw/zinc/21/15/45/953211545.db2.gz ZXPDTBBBHZKMEB-XHNCKOQMSA-N 0 1 383.865 1.462 20 0 GDADMN Cc1nc[nH]c1C(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001571238907 953234113 /nfs/dbraw/zinc/23/41/13/953234113.db2.gz BYOAVXCGTYKBSF-QMTHXVAHSA-N 0 1 384.419 1.430 20 0 GDADMN CCN(C(=O)c1ncc[nH]1)[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239236 953237549 /nfs/dbraw/zinc/23/75/49/953237549.db2.gz IFXDWORGMPLISF-AWEZNQCLSA-N 0 1 384.419 1.466 20 0 GDADMN Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)c1C ZINC001571239419 953239059 /nfs/dbraw/zinc/23/90/59/953239059.db2.gz LDIWXLYJULVMSE-CQSZACIVSA-N 0 1 384.419 1.350 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@@H]2C)nn1 ZINC001571244755 953266743 /nfs/dbraw/zinc/26/67/43/953266743.db2.gz HNISPRJEYQFOMY-AAEUAGOBSA-N 0 1 384.469 1.419 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@@H]2C)nn1 ZINC001571244755 953266746 /nfs/dbraw/zinc/26/67/46/953266746.db2.gz HNISPRJEYQFOMY-AAEUAGOBSA-N 0 1 384.469 1.419 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001571245167 953270799 /nfs/dbraw/zinc/27/07/99/953270799.db2.gz FANKBCHKXYPMGZ-NEPJUHHUSA-N 0 1 384.469 1.607 20 0 GDADMN Cc1ccsc1C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571245581 953274669 /nfs/dbraw/zinc/27/46/69/953274669.db2.gz VZRZFWKSUJFMDS-GFCCVEGCSA-N 0 1 384.469 1.625 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001571246304 953282782 /nfs/dbraw/zinc/28/27/82/953282782.db2.gz XSIYGCIDRLPEEI-WCQYABFASA-N 0 1 384.469 1.347 20 0 GDADMN Cc1nc(CCC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cs1 ZINC001571247885 953287053 /nfs/dbraw/zinc/28/70/53/953287053.db2.gz HFSLHPLCDUGCQZ-LBPRGKRZSA-N 0 1 384.469 1.094 20 0 GDADMN CC1(C)CCC(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571249464 953305319 /nfs/dbraw/zinc/30/53/19/953305319.db2.gz JINHNJCRCHQDOO-AWEZNQCLSA-N 0 1 384.488 1.698 20 0 GDADMN O=C(CC1CCOCC1)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571250248 953308839 /nfs/dbraw/zinc/30/88/39/953308839.db2.gz PAQOMKBBLIOWFX-UHFFFAOYSA-N 0 1 384.484 1.718 20 0 GDADMN Cc1cnc([C@@H](C)NC[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571251200 953315452 /nfs/dbraw/zinc/31/54/52/953315452.db2.gz SGKXJBNWUGYIAT-CHWSQXEVSA-N 0 1 384.444 1.694 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571252495 953329397 /nfs/dbraw/zinc/32/93/97/953329397.db2.gz NUXWIKJDPSXMEO-ZIAGYGMSSA-N 0 1 384.488 1.768 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001571252657 953332044 /nfs/dbraw/zinc/33/20/44/953332044.db2.gz SPPFKQZVWAMJLW-AWEZNQCLSA-N 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ZINC000823573556 606885541 /nfs/dbraw/zinc/88/55/41/606885541.db2.gz WUOZZQUKAFQKIQ-ZDUSSCGKSA-N 0 1 391.403 1.981 20 0 GDADMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCN1C ZINC000820656467 606891622 /nfs/dbraw/zinc/89/16/22/606891622.db2.gz FKOSYSNTIJGTET-ONGXEEELSA-N 0 1 386.428 1.248 20 0 GDADMN CCO[C@@H]1C[C@H](N(C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCC2 ZINC000821357334 606917270 /nfs/dbraw/zinc/91/72/70/606917270.db2.gz CBXRCPCSRGBETK-DLBZAZTESA-N 0 1 384.484 1.762 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2COc3ccc(C)cc32)cc1-c1nn[nH]n1 ZINC000821976607 606968042 /nfs/dbraw/zinc/96/80/42/606968042.db2.gz BWDSZSQDXUZYHX-LBPRGKRZSA-N 0 1 384.421 1.861 20 0 GDADMN C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821621913 607125890 /nfs/dbraw/zinc/12/58/90/607125890.db2.gz LCTQYTCMONSZIE-MRVPVSSYSA-N 0 1 378.853 1.005 20 0 GDADMN C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821621913 607125891 /nfs/dbraw/zinc/12/58/91/607125891.db2.gz LCTQYTCMONSZIE-MRVPVSSYSA-N 0 1 378.853 1.005 20 0 GDADMN C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821621913 607125892 /nfs/dbraw/zinc/12/58/92/607125892.db2.gz LCTQYTCMONSZIE-MRVPVSSYSA-N 0 1 378.853 1.005 20 0 GDADMN C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821621913 607125893 /nfs/dbraw/zinc/12/58/93/607125893.db2.gz LCTQYTCMONSZIE-MRVPVSSYSA-N 0 1 378.853 1.005 20 0 GDADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000823160553 607192217 /nfs/dbraw/zinc/19/22/17/607192217.db2.gz CUJZBTDQRLDZDN-RTBURBONSA-N 0 1 392.463 1.480 20 0 GDADMN CCOc1cccc2cc([C@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)oc21 ZINC000821431581 607205870 /nfs/dbraw/zinc/20/58/70/607205870.db2.gz WLYBAQSWPCWJPZ-JTQLQIEISA-N 0 1 382.384 1.481 20 0 GDADMN Cc1nc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)s2)cs1 ZINC000822419977 607205985 /nfs/dbraw/zinc/20/59/85/607205985.db2.gz YBZRIEKFLKJIEK-UHFFFAOYSA-N 0 1 387.454 1.268 20 0 GDADMN CC(C)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc2ccccc2[nH]1 ZINC000820055228 607206292 /nfs/dbraw/zinc/20/62/92/607206292.db2.gz GDAPRUDYFYBEHJ-ZDUSSCGKSA-N 0 1 380.416 1.238 20 0 GDADMN CC(C)c1ccc(OC2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000820192371 607207650 /nfs/dbraw/zinc/20/76/50/607207650.db2.gz LGPPKVROYPJIOU-UHFFFAOYSA-N 0 1 396.455 1.652 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1COCc1ccccc1 ZINC000823136231 607208259 /nfs/dbraw/zinc/20/82/59/607208259.db2.gz POONEPBZFQIAEN-UHFFFAOYSA-N 0 1 390.407 1.814 20 0 GDADMN Cc1nc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)sc1Cc1cccc(F)c1 ZINC000822449567 607208914 /nfs/dbraw/zinc/20/89/14/607208914.db2.gz DWBFGJXJINDUAG-UHFFFAOYSA-N 0 1 399.415 1.592 20 0 GDADMN Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1NC(=O)c1ccco1 ZINC000822208436 607209655 /nfs/dbraw/zinc/20/96/55/607209655.db2.gz RHISDEAUHNWEAI-UHFFFAOYSA-N 0 1 393.367 1.251 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000823136201 607211826 /nfs/dbraw/zinc/21/18/26/607211826.db2.gz OHIPUKQWDQPFHH-UHFFFAOYSA-N 0 1 379.262 1.257 20 0 GDADMN CCOCCOc1ccc(Cl)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821384336 607213526 /nfs/dbraw/zinc/21/35/26/607213526.db2.gz VPUQDFWSODYFST-UHFFFAOYSA-N 0 1 392.807 1.166 20 0 GDADMN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822242675 607217091 /nfs/dbraw/zinc/21/70/91/607217091.db2.gz UHJJUSOWPWKTQH-UHFFFAOYSA-N 0 1 383.416 1.390 20 0 GDADMN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822236446 607220356 /nfs/dbraw/zinc/22/03/56/607220356.db2.gz ZTJQSBOJNBEUTD-INIZCTEOSA-N 0 1 396.455 1.017 20 0 GDADMN CN1CCC[C@H]1[C@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826034162 607815456 /nfs/dbraw/zinc/81/54/56/607815456.db2.gz OHDJIOKJHFVIGT-DLBZAZTESA-N 0 1 390.513 1.199 20 0 GDADMN CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)[C@H]2C1 ZINC000826145607 607858161 /nfs/dbraw/zinc/85/81/61/607858161.db2.gz JSKDFEUVHKOJSK-IKGGRYGDSA-N 0 1 386.456 1.464 20 0 GDADMN Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000826305669 607869304 /nfs/dbraw/zinc/86/93/04/607869304.db2.gz FAKQKBNKAUJYMU-WMZOPIPTSA-N 0 1 391.435 1.934 20 0 GDADMN C[C@@H](NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cn[nH]c1 ZINC000824488024 607940670 /nfs/dbraw/zinc/94/06/70/607940670.db2.gz DEQDYDZFMVERDF-CQSZACIVSA-N 0 1 395.471 1.568 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)c[nH]2)c1-c1nnn[n-]1 ZINC000826077466 608019537 /nfs/dbraw/zinc/01/95/37/608019537.db2.gz JBXGZXGHOHDSHN-UHFFFAOYSA-N 0 1 394.237 1.085 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)c[nH]2)c1-c1nn[n-]n1 ZINC000826077466 608019538 /nfs/dbraw/zinc/01/95/38/608019538.db2.gz JBXGZXGHOHDSHN-UHFFFAOYSA-N 0 1 394.237 1.085 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(C)ccc3[nH]2)c1-c1nnn[n-]1 ZINC000826077775 608019741 /nfs/dbraw/zinc/01/97/41/608019741.db2.gz VNYPAIVXPSSNDO-UHFFFAOYSA-N 0 1 379.428 1.784 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(C)ccc3[nH]2)c1-c1nn[n-]n1 ZINC000826077775 608019742 /nfs/dbraw/zinc/01/97/42/608019742.db2.gz VNYPAIVXPSSNDO-UHFFFAOYSA-N 0 1 379.428 1.784 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826077801 608019892 /nfs/dbraw/zinc/01/98/92/608019892.db2.gz WKCACNIOZLYLLG-CYBMUJFWSA-N 0 1 394.483 1.876 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826077801 608019893 /nfs/dbraw/zinc/01/98/93/608019893.db2.gz WKCACNIOZLYLLG-CYBMUJFWSA-N 0 1 394.483 1.876 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826077855 608019926 /nfs/dbraw/zinc/01/99/26/608019926.db2.gz XSYQWOCOCUUDHW-KBPBESRZSA-N 0 1 380.456 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826077855 608019927 /nfs/dbraw/zinc/01/99/27/608019927.db2.gz XSYQWOCOCUUDHW-KBPBESRZSA-N 0 1 380.456 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1-c1nnn[n-]1 ZINC000826077807 608020028 /nfs/dbraw/zinc/02/00/28/608020028.db2.gz WKRIVZWSPNSLPJ-XOBRGWDASA-N 0 1 392.467 1.584 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1-c1nn[n-]n1 ZINC000826077807 608020029 /nfs/dbraw/zinc/02/00/29/608020029.db2.gz WKRIVZWSPNSLPJ-XOBRGWDASA-N 0 1 392.467 1.584 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(NC(=O)OC)c2)c1-c1nnn[n-]1 ZINC000826083989 608020895 /nfs/dbraw/zinc/02/08/95/608020895.db2.gz SXNMALIKWDIAJX-UHFFFAOYSA-N 0 1 399.415 1.172 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(NC(=O)OC)c2)c1-c1nn[n-]n1 ZINC000826083989 608020896 /nfs/dbraw/zinc/02/08/96/608020896.db2.gz SXNMALIKWDIAJX-UHFFFAOYSA-N 0 1 399.415 1.172 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OC(C)C)c1-c1nnn[n-]1 ZINC000826083821 608020927 /nfs/dbraw/zinc/02/09/27/608020927.db2.gz RRXNDYLAMDPQRU-UHFFFAOYSA-N 0 1 384.444 1.781 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OC(C)C)c1-c1nn[n-]n1 ZINC000826083821 608020928 /nfs/dbraw/zinc/02/09/28/608020928.db2.gz RRXNDYLAMDPQRU-UHFFFAOYSA-N 0 1 384.444 1.781 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]cc2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826077423 608021169 /nfs/dbraw/zinc/02/11/69/608021169.db2.gz HOSQKISFOJIRBF-UHFFFAOYSA-N 0 1 391.439 1.989 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]cc2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826077423 608021170 /nfs/dbraw/zinc/02/11/70/608021170.db2.gz HOSQKISFOJIRBF-UHFFFAOYSA-N 0 1 391.439 1.989 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(F)ccc3o2)c1-c1nnn[n-]1 ZINC000826082827 608021995 /nfs/dbraw/zinc/02/19/95/608021995.db2.gz BMVSMGVUYIVYMN-UHFFFAOYSA-N 0 1 384.375 1.879 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(F)ccc3o2)c1-c1nn[n-]n1 ZINC000826082827 608021996 /nfs/dbraw/zinc/02/19/96/608021996.db2.gz BMVSMGVUYIVYMN-UHFFFAOYSA-N 0 1 384.375 1.879 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc(Cl)c2)c1-c1nnn[n-]1 ZINC000826077608 608022178 /nfs/dbraw/zinc/02/21/78/608022178.db2.gz OHNASGFSGWIQRF-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc(Cl)c2)c1-c1nn[n-]n1 ZINC000826077608 608022179 /nfs/dbraw/zinc/02/21/79/608022179.db2.gz OHNASGFSGWIQRF-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000826073600 608022794 /nfs/dbraw/zinc/02/27/94/608022794.db2.gz YMRSAOYKKQJFDM-LBPRGKRZSA-N 0 1 398.471 1.568 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000826073600 608022795 /nfs/dbraw/zinc/02/27/95/608022795.db2.gz YMRSAOYKKQJFDM-LBPRGKRZSA-N 0 1 398.471 1.568 20 0 GDADMN CCOC(=O)CC[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825506783 608026311 /nfs/dbraw/zinc/02/63/11/608026311.db2.gz MHLDGGXFVXPZGD-QMMMGPOBSA-N 0 1 389.384 1.155 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCC(=O)Nc1ccc(F)cc1 ZINC000825934735 608037146 /nfs/dbraw/zinc/03/71/46/608037146.db2.gz RAUBOSGMEGKYLU-UHFFFAOYSA-N 0 1 387.423 1.204 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCC(=O)Nc1ccc(F)cc1 ZINC000825934735 608037147 /nfs/dbraw/zinc/03/71/47/608037147.db2.gz RAUBOSGMEGKYLU-UHFFFAOYSA-N 0 1 387.423 1.204 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCC(=O)Nc1ccc(F)cc1 ZINC000825934735 608037148 /nfs/dbraw/zinc/03/71/48/608037148.db2.gz RAUBOSGMEGKYLU-UHFFFAOYSA-N 0 1 387.423 1.204 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCC(=O)Nc1ccc(F)cc1 ZINC000825934735 608037149 /nfs/dbraw/zinc/03/71/49/608037149.db2.gz RAUBOSGMEGKYLU-UHFFFAOYSA-N 0 1 387.423 1.204 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)n[nH]1 ZINC000824358419 608096805 /nfs/dbraw/zinc/09/68/05/608096805.db2.gz JHPFQYLUNQBTMT-QMMMGPOBSA-N 0 1 380.409 1.287 20 0 GDADMN NC(=O)[C@H](N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389462 608099885 /nfs/dbraw/zinc/09/98/85/608099885.db2.gz YWEPYQBWJMIGMC-MAUKXSAKSA-N 0 1 395.442 1.791 20 0 GDADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000825740192 608107707 /nfs/dbraw/zinc/10/77/07/608107707.db2.gz QNIDRBDSCQBKDS-ZETCQYMHSA-N 0 1 389.807 1.017 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000826175092 608108395 /nfs/dbraw/zinc/10/83/95/608108395.db2.gz SOYNAJZRZKCTOR-SNVBAGLBSA-N 0 1 386.416 1.373 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(Cl)nc2C)c1-c1nnn[n-]1 ZINC000826077903 608113862 /nfs/dbraw/zinc/11/38/62/608113862.db2.gz ZUWSFRZENJFDKK-UHFFFAOYSA-N 0 1 389.851 1.280 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(Cl)nc2C)c1-c1nn[n-]n1 ZINC000826077903 608113863 /nfs/dbraw/zinc/11/38/63/608113863.db2.gz ZUWSFRZENJFDKK-UHFFFAOYSA-N 0 1 389.851 1.280 20 0 GDADMN Cc1nsc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)n1 ZINC000826340104 608175887 /nfs/dbraw/zinc/17/58/87/608175887.db2.gz HRTZENOTUGYUGG-UHFFFAOYSA-N 0 1 385.413 1.601 20 0 GDADMN CCc1nc([C@H](C)NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000825740137 608204685 /nfs/dbraw/zinc/20/46/85/608204685.db2.gz OCFFIWOOEGEMFF-XHDPSFHLSA-N 0 1 384.444 1.828 20 0 GDADMN O=Cc1[nH]nc2cc(C(=O)OCC(=O)Nc3sccc3-c3nn[nH]n3)ccc12 ZINC000826483902 608255477 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390.447 1.705 20 0 GDADMN O=C(NC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)C1CCOCC1 ZINC001571298531 946218883 /nfs/dbraw/zinc/21/88/83/946218883.db2.gz AJJJTRUEICLNNT-UHFFFAOYSA-N 0 1 390.513 1.872 20 0 GDADMN O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)C1CCOCC1 ZINC001571298531 946218894 /nfs/dbraw/zinc/21/88/94/946218894.db2.gz AJJJTRUEICLNNT-UHFFFAOYSA-N 0 1 390.513 1.872 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1Cc2ccccc2C1 ZINC001571298488 946220129 /nfs/dbraw/zinc/22/01/29/946220129.db2.gz PINAHZAAGYUHNJ-MRXNPFEDSA-N 0 1 390.451 1.157 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001571299378 946248764 /nfs/dbraw/zinc/24/87/64/946248764.db2.gz LXBKHPNWTONAEH-ABHRYQDASA-N 0 1 390.513 1.728 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001571299378 946248776 /nfs/dbraw/zinc/24/87/76/946248776.db2.gz LXBKHPNWTONAEH-ABHRYQDASA-N 0 1 390.513 1.728 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1csc(Cl)c1 ZINC001571299881 946265624 /nfs/dbraw/zinc/26/56/24/946265624.db2.gz QFJJWFFOZPIPBK-PSASIEDQSA-N 0 1 390.860 1.509 20 0 GDADMN Cc1cc(N2C[C@@H]3CCCN(C(=O)c4cccnn4)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303770 946346979 /nfs/dbraw/zinc/34/69/79/946346979.db2.gz XTGBZHBZANJPCT-SUMWQHHRSA-N 0 1 391.439 1.101 20 0 GDADMN O=C(NCc1n[nH]c(-c2ccccc2)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000823270027 946369616 /nfs/dbraw/zinc/36/96/16/946369616.db2.gz VUKOZFCTSGUVCV-UHFFFAOYSA-N 0 1 393.386 1.790 20 0 GDADMN O=C(NCc1nc(-c2ccccc2)n[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000823270027 946369626 /nfs/dbraw/zinc/36/96/26/946369626.db2.gz VUKOZFCTSGUVCV-UHFFFAOYSA-N 0 1 393.386 1.790 20 0 GDADMN CN(c1nc(-c2nn[nH]n2)c(Cl)s1)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001571305594 946370604 /nfs/dbraw/zinc/37/06/04/946370604.db2.gz GWLBXXWPVKBKMU-QMMMGPOBSA-N 0 1 391.848 1.118 20 0 GDADMN CC[C@H](F)CN1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CCO2 ZINC001571306145 946388223 /nfs/dbraw/zinc/38/82/23/946388223.db2.gz HOSJEUZOIXGJCQ-ZDUSSCGKSA-N 0 1 391.451 1.250 20 0 GDADMN COC(=O)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)[C@H](C)C1 ZINC001571311013 946481743 /nfs/dbraw/zinc/48/17/43/946481743.db2.gz PRJSUIOPWKPXRV-RKDXNWHRSA-N 0 1 392.441 1.103 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)C(C)(C)c3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316303 946572168 /nfs/dbraw/zinc/57/21/68/946572168.db2.gz YSQBUEQSNYFSGO-HNNXBMFYSA-N 0 1 392.467 1.638 20 0 GDADMN Cc1ccncc1CC(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571317123 946600708 /nfs/dbraw/zinc/60/07/08/946600708.db2.gz VUYVCBXHRMZXJZ-OAHLLOKOSA-N 0 1 392.467 1.493 20 0 GDADMN O=C(Cc1ncc[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571317145 946600723 /nfs/dbraw/zinc/60/07/23/946600723.db2.gz WMCROLLKWTYUOL-SJORKVTESA-N 0 1 392.467 1.398 20 0 GDADMN O=C(CCc1cncnc1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571317178 946602078 /nfs/dbraw/zinc/60/20/78/946602078.db2.gz XKHSUKSRGIUERT-UHFFFAOYSA-N 0 1 392.467 1.324 20 0 GDADMN CC(C)[C@H](O)C1(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000824199625 946617876 /nfs/dbraw/zinc/61/78/76/946617876.db2.gz KHVDGVVTMQUBTL-ZDUSSCGKSA-N 0 1 387.412 1.220 20 0 GDADMN CC(=O)Nc1ccc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)cc1 ZINC001573547806 946841202 /nfs/dbraw/zinc/84/12/02/946841202.db2.gz VQGFJKZRMRFSKD-UHFFFAOYSA-N 0 1 392.423 1.017 20 0 GDADMN CC1(C)CN(C(=O)C2CC2)CCN1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000824808512 946939464 /nfs/dbraw/zinc/93/94/64/946939464.db2.gz UEXOBBBQJAZQGM-UHFFFAOYSA-N 0 1 384.484 1.968 20 0 GDADMN C[C@H](C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573594730 947406374 /nfs/dbraw/zinc/40/63/74/947406374.db2.gz RLTKBNBFQCIQGR-SCLBCKFNSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573594872 947410641 /nfs/dbraw/zinc/41/06/41/947410641.db2.gz DCWLFSMWMSHPKS-SWLSCSKDSA-N 0 1 392.479 1.597 20 0 GDADMN CC(C)N(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001573603421 947486968 /nfs/dbraw/zinc/48/69/68/947486968.db2.gz GMZVTXJAAGHSRW-WMLDXEAASA-N 0 1 387.488 1.750 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001573603498 947490322 /nfs/dbraw/zinc/49/03/22/947490322.db2.gz MBKYSGBDDXOFCD-CYBMUJFWSA-N 0 1 386.435 1.354 20 0 GDADMN CC(C)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001573603593 947491531 /nfs/dbraw/zinc/49/15/31/947491531.db2.gz IFSTVGRJQSSHRG-UONOGXRCSA-N 0 1 388.476 1.145 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000327410154 971396585 /nfs/dbraw/zinc/39/65/85/971396585.db2.gz ALFZFNXEIQAHGM-INIZCTEOSA-N 0 1 388.873 1.763 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573615965 947615158 /nfs/dbraw/zinc/61/51/58/947615158.db2.gz LGJINBXKAQFJGV-WDEREUQCSA-N 0 1 380.403 1.233 20 0 GDADMN COc1ccc(S(=O)(=O)Nc2cccc(C)c2-c2nn[nH]n2)cc1OC ZINC000826211635 947618998 /nfs/dbraw/zinc/61/89/98/947618998.db2.gz NJXFOYPSXZRGIR-UHFFFAOYSA-N 0 1 375.410 1.993 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573355949 947648807 /nfs/dbraw/zinc/64/88/07/947648807.db2.gz TWHVCRVDTWTLKW-OAHLLOKOSA-N 0 1 376.424 1.699 20 0 GDADMN C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573618799 947655477 /nfs/dbraw/zinc/65/54/77/947655477.db2.gz SERFARKWSKHXIO-CYBMUJFWSA-N 0 1 384.488 1.910 20 0 GDADMN CC(C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)=C1CCC1 ZINC001573628188 947747530 /nfs/dbraw/zinc/74/75/30/947747530.db2.gz GFXYXXBABZXXRX-AWEZNQCLSA-N 0 1 382.472 1.832 20 0 GDADMN CC(C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)=C1CCC1 ZINC001573628189 947747989 /nfs/dbraw/zinc/74/79/89/947747989.db2.gz GFXYXXBABZXXRX-CQSZACIVSA-N 0 1 382.472 1.832 20 0 GDADMN Cc1cc(CC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[nH]n3)n2)n[nH]1 ZINC000826266665 947771486 /nfs/dbraw/zinc/77/14/86/947771486.db2.gz XEEFSIXFTXCFRA-UHFFFAOYSA-N 0 1 383.803 1.919 20 0 GDADMN C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001573630645 947794643 /nfs/dbraw/zinc/79/46/43/947794643.db2.gz RJYNIPPPOUWGBA-DJJJIMSYSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573630816 947798166 /nfs/dbraw/zinc/79/81/66/947798166.db2.gz SOQAGQPOBHEWPT-HUUCEWRRSA-N 0 1 392.467 1.533 20 0 GDADMN C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCCO1 ZINC001573637827 947825283 /nfs/dbraw/zinc/82/52/83/947825283.db2.gz RPUBIIWSAYUTRL-CRAIPNDOSA-N 0 1 384.484 1.716 20 0 GDADMN CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573376332 947834344 /nfs/dbraw/zinc/83/43/44/947834344.db2.gz ZCCVVKXKNKWZQD-AWEZNQCLSA-N 0 1 386.460 1.021 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)CC1(C)C ZINC001573380936 947866821 /nfs/dbraw/zinc/86/68/21/947866821.db2.gz KMTCNPZJYRZRKP-QGZVFWFLSA-N 0 1 384.484 1.953 20 0 GDADMN Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1-c1nn[nH]n1 ZINC000826299605 947869080 /nfs/dbraw/zinc/86/90/80/947869080.db2.gz MILBITKQRIBQLJ-UHFFFAOYSA-N 0 1 382.405 1.817 20 0 GDADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3cccc(-c4nn[nH]n4)c3)[nH]c21 ZINC000826304180 947873717 /nfs/dbraw/zinc/87/37/17/947873717.db2.gz ANODCAZYBDRYJM-UHFFFAOYSA-N 0 1 376.380 1.306 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573381733 947879028 /nfs/dbraw/zinc/87/90/28/947879028.db2.gz YJZNPIODWFLCGI-KRWDZBQOSA-N 0 1 384.484 1.954 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573647944 947904075 /nfs/dbraw/zinc/90/40/75/947904075.db2.gz VUKQOQSKUHDHLS-PBFPGSCMSA-N 0 1 378.440 1.141 20 0 GDADMN C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)c1ccco1 ZINC001573652896 947948134 /nfs/dbraw/zinc/94/81/34/947948134.db2.gz HZOLAQQKKHTDEN-WCQYABFASA-N 0 1 384.444 1.418 20 0 GDADMN C[C@H](C(=O)NC1(C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1)C1CC1 ZINC001573656845 947995030 /nfs/dbraw/zinc/99/50/30/947995030.db2.gz ISBKRQVKRQPFBB-LBPRGKRZSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573657033 947997040 /nfs/dbraw/zinc/99/70/40/947997040.db2.gz JTYSZHOJHWKBJQ-CYBMUJFWSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573663174 948032916 /nfs/dbraw/zinc/03/29/16/948032916.db2.gz KCDVYBGVNWJFFV-UNXYVOJBSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(C)C ZINC001573664363 948052495 /nfs/dbraw/zinc/05/24/95/948052495.db2.gz UNKAAIVUJGHYLV-QWHCGFSZSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573666004 948079981 /nfs/dbraw/zinc/07/99/81/948079981.db2.gz OMMJBVUHXLUOEO-HOCLYGCPSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)C(C)(F)F ZINC001573673361 948113257 /nfs/dbraw/zinc/11/32/57/948113257.db2.gz KREOMTKRQIBLKU-BQBZGAKWSA-N 0 1 391.835 1.963 20 0 GDADMN NC(=O)c1csc(CN[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826394085 948204216 /nfs/dbraw/zinc/20/42/16/948204216.db2.gz WJFKLJJPAVCDHN-HNNXBMFYSA-N 0 1 397.464 1.312 20 0 GDADMN O=C(C=Cc1ccccc1-c1nn[nH]n1)OCCOCCNC(=O)C(F)(F)F ZINC000826402133 948225454 /nfs/dbraw/zinc/22/54/54/948225454.db2.gz NNMCRTMIOBKUMW-WAYWQWQTSA-N 0 1 399.329 1.118 20 0 GDADMN C[C@H](C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C(C)(C)C ZINC001573691111 948236000 /nfs/dbraw/zinc/23/60/00/948236000.db2.gz HNHQEENVLMNFCA-XIKOKIGWSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573703392 948354912 /nfs/dbraw/zinc/35/49/12/948354912.db2.gz JVPGTEKNLGFZJK-UKRRQHHQSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573703575 948357357 /nfs/dbraw/zinc/35/73/57/948357357.db2.gz LBVJICKADIPHFU-HUUCEWRRSA-N 0 1 392.467 1.793 20 0 GDADMN O=C1[C@H](N2CCN3CCCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477298 948387374 /nfs/dbraw/zinc/38/73/74/948387374.db2.gz ZKAURBKWWMTIFC-QZTJIDSGSA-N 0 1 381.484 1.532 20 0 GDADMN CC(=O)NCC[N@@H+](Cc1ccc(C(=O)OCc2ccccc2)[nH]1)[C@@H](C)C(=O)[O-] ZINC001602758283 971476574 /nfs/dbraw/zinc/47/65/74/971476574.db2.gz AZACPKXEISBZSJ-AWEZNQCLSA-N 0 1 387.436 1.783 20 0 GDADMN O=S(=O)(NCCc1ccc(CO)cc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826491378 948404183 /nfs/dbraw/zinc/40/41/83/948404183.db2.gz HAHPOFPNNHQTMS-UHFFFAOYSA-N 0 1 395.391 1.158 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CC1 ZINC001573707732 948438184 /nfs/dbraw/zinc/43/81/84/948438184.db2.gz PHLYQKHHSZEHRY-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1ncc(Br)cc1O ZINC001292977414 948500018 /nfs/dbraw/zinc/50/00/18/948500018.db2.gz KKIDFPDFANMWGR-UHFFFAOYSA-N 0 1 375.186 1.660 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C1CCC1 ZINC001573717869 948512965 /nfs/dbraw/zinc/51/29/65/948512965.db2.gz NXKSMCOTHFKSOG-VNHYZAJKSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)c1cccnc1 ZINC001573720237 948532991 /nfs/dbraw/zinc/53/29/91/948532991.db2.gz QBVGADMPQCUEGC-VIFPVBQESA-N 0 1 392.876 1.728 20 0 GDADMN C[C@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[C@@H]1CCCO1 ZINC001573720925 948535696 /nfs/dbraw/zinc/53/56/96/948535696.db2.gz SXQGZTYNQMWYSI-KSSFIOAISA-N 0 1 384.484 1.762 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573725529 948541330 /nfs/dbraw/zinc/54/13/30/948541330.db2.gz AETLWTIMDAEBBM-RWMBFGLXSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573725529 948541336 /nfs/dbraw/zinc/54/13/36/948541336.db2.gz AETLWTIMDAEBBM-RWMBFGLXSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573730522 948580401 /nfs/dbraw/zinc/58/04/01/948580401.db2.gz QKPRBCXVCPLNMR-GVXVVHGQSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1)n1cccc1 ZINC001573731161 948588778 /nfs/dbraw/zinc/58/87/78/948588778.db2.gz DZPAPLDYUKGIIB-DTWKUNHWSA-N 0 1 380.865 1.956 20 0 GDADMN C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001573731798 948596009 /nfs/dbraw/zinc/59/60/09/948596009.db2.gz ZEINRHDOSRQYOH-GFCCVEGCSA-N 0 1 390.451 1.839 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573741565 948655873 /nfs/dbraw/zinc/65/58/73/948655873.db2.gz CVXUOQDKGLAHBQ-GHMZBOCLSA-N 0 1 387.394 1.682 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573748973 948699187 /nfs/dbraw/zinc/69/91/87/948699187.db2.gz XUKYSOSYBSCHNR-GVXVVHGQSA-N 0 1 384.469 1.251 20 0 GDADMN CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574416665 948755249 /nfs/dbraw/zinc/75/52/49/948755249.db2.gz BYGPYSQICHVDBW-HOTGVXAUSA-N 0 1 390.451 1.883 20 0 GDADMN C[C@H](CNC(=O)CCc1cccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574915981 948773418 /nfs/dbraw/zinc/77/34/18/948773418.db2.gz ZYSKMAQXCSWRSX-SECBINFHSA-N 0 1 392.876 1.921 20 0 GDADMN C[C@@H](C(=O)Nc1nccc(-c2ccc(F)c(F)c2)n1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755646 948775316 /nfs/dbraw/zinc/77/53/16/948775316.db2.gz RRAHCHMFXFWBCL-QMMMGPOBSA-N 0 1 398.337 1.393 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)n1 ZINC001574419585 948784717 /nfs/dbraw/zinc/78/47/17/948784717.db2.gz FNMRVARIEASCBX-ATCWAGBWSA-N 0 1 391.439 1.040 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncc1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917185 948811178 /nfs/dbraw/zinc/81/11/78/948811178.db2.gz SYUWROYUYXSVND-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917185 948811199 /nfs/dbraw/zinc/81/11/99/948811199.db2.gz SYUWROYUYXSVND-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN CC(C)c1nc(C(=O)N(C)[C@H](C)CNc2ccncc2-c2nn[nH]n2)cs1 ZINC001574424178 948846031 /nfs/dbraw/zinc/84/60/31/948846031.db2.gz HGYQGDAJMOSBIJ-LLVKDONJSA-N 0 1 386.485 1.836 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574684022 948856724 /nfs/dbraw/zinc/85/67/24/948856724.db2.gz AFSUNHNEWIGOKC-BDAKNGLRSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574684022 948856738 /nfs/dbraw/zinc/85/67/38/948856738.db2.gz AFSUNHNEWIGOKC-BDAKNGLRSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574918776 948858365 /nfs/dbraw/zinc/85/83/65/948858365.db2.gz QBQUYUQBPJVQAG-LBPRGKRZSA-N 0 1 386.485 1.682 20 0 GDADMN CC(C)c1nc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)cs1 ZINC001574426422 948890031 /nfs/dbraw/zinc/89/00/31/948890031.db2.gz RNYOAGXCWZBIAB-MNOVXSKESA-N 0 1 399.484 1.634 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C[C@@H]1CCCO1 ZINC001574685660 948914993 /nfs/dbraw/zinc/91/49/93/948914993.db2.gz YOMOGAWZUDFUNB-IUCAKERBSA-N 0 1 385.881 1.852 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C1CCOCC1 ZINC001573765767 948924547 /nfs/dbraw/zinc/92/45/47/948924547.db2.gz FEGAZZYHBCRPHV-AWEZNQCLSA-N 0 1 385.472 1.149 20 0 GDADMN CC(C)c1ncncc1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574431890 948928737 /nfs/dbraw/zinc/92/87/37/948928737.db2.gz DCBQCCVCNLCNCL-UHFFFAOYSA-N 0 1 392.467 1.642 20 0 GDADMN CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089372 948957747 /nfs/dbraw/zinc/95/77/47/948957747.db2.gz JPHFAIODFDLSAQ-ORAYPTAESA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)[C@@H]1C[C@H](C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)CCO1 ZINC001574091744 949028228 /nfs/dbraw/zinc/02/82/28/949028228.db2.gz LQVVJMUAMAQNAA-PBHICJAKSA-N 0 1 387.488 1.608 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574692770 949039737 /nfs/dbraw/zinc/03/97/37/949039737.db2.gz BXZGHYNACFUMPB-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001574694376 949073840 /nfs/dbraw/zinc/07/38/40/949073840.db2.gz OJGNJDSPPKWWOR-XJKSGUPXSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574093050 949093357 /nfs/dbraw/zinc/09/33/57/949093357.db2.gz VXKYSAGPQSRPSY-KUHUBIRLSA-N 0 1 384.488 1.766 20 0 GDADMN C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575249425 949098997 /nfs/dbraw/zinc/09/89/97/949098997.db2.gz BSMZFAHLPUPSRL-MNOVXSKESA-N 0 1 392.414 1.423 20 0 GDADMN C[C@H](NC(=O)[C@]1(F)CCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575251316 949134717 /nfs/dbraw/zinc/13/47/17/949134717.db2.gz ANXOXCOVDGFNAN-VOJFVSQTSA-N 0 1 392.410 1.071 20 0 GDADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001602793058 971552971 /nfs/dbraw/zinc/55/29/71/971552971.db2.gz OPCSOYCSPFUQMS-BPLDGKMQSA-N 0 1 399.451 1.036 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251463 949142330 /nfs/dbraw/zinc/14/23/30/949142330.db2.gz NMAQBNLYAATFGZ-CHWSQXEVSA-N 0 1 380.456 1.362 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001574094626 949142540 /nfs/dbraw/zinc/14/25/40/949142540.db2.gz YZPGAIHNJRJYQX-KBPBESRZSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574447538 949165007 /nfs/dbraw/zinc/16/50/07/949165007.db2.gz SCKBFXWMCSRYGO-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574447538 949165020 /nfs/dbraw/zinc/16/50/20/949165020.db2.gz SCKBFXWMCSRYGO-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573787210 949172568 /nfs/dbraw/zinc/17/25/68/949172568.db2.gz PMWNKKPQXAORNX-SHTZXODSSA-N 0 1 377.452 1.721 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574698497 949195666 /nfs/dbraw/zinc/19/56/66/949195666.db2.gz LTEIAJSYTKSCBK-KBPBESRZSA-N 0 1 381.440 1.410 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575254759 949214311 /nfs/dbraw/zinc/21/43/11/949214311.db2.gz XNAXUKJQUKYJSD-QWHCGFSZSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575254760 949214689 /nfs/dbraw/zinc/21/46/89/949214689.db2.gz XNAXUKJQUKYJSD-STQMWFEESA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574937644 949224049 /nfs/dbraw/zinc/22/40/49/949224049.db2.gz OYOXWNFAARGKAE-LBPRGKRZSA-N 0 1 386.406 1.982 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574451760 949241811 /nfs/dbraw/zinc/24/18/11/949241811.db2.gz XGIBJXSZTDFKKT-OAHLLOKOSA-N 0 1 381.440 1.982 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1 ZINC001589605673 949259086 /nfs/dbraw/zinc/25/90/86/949259086.db2.gz UOJSDQMBSXCIAO-MBOZVWFJSA-N 0 1 376.453 1.945 20 0 GDADMN C[C@@H](c1ncccn1)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575524152 949313300 /nfs/dbraw/zinc/31/33/00/949313300.db2.gz SJAAFUJNZOTVKB-QWHCGFSZSA-N 0 1 381.444 1.188 20 0 GDADMN CC(C)CC(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574109062 949315166 /nfs/dbraw/zinc/31/51/66/949315166.db2.gz VSFKMVJDDUEBJG-AWEZNQCLSA-N 0 1 392.529 1.760 20 0 GDADMN CC(C)CC(=O)N1CCC[C@H]([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574109062 949315193 /nfs/dbraw/zinc/31/51/93/949315193.db2.gz VSFKMVJDDUEBJG-AWEZNQCLSA-N 0 1 392.529 1.760 20 0 GDADMN CC(C)n1ccc(C(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574457172 949316793 /nfs/dbraw/zinc/31/67/93/949316793.db2.gz AUABUBBAGFMVBG-UHFFFAOYSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H](c1ncccn1)N(C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575524597 949320779 /nfs/dbraw/zinc/32/07/79/949320779.db2.gz UXISXQRBIDCDGJ-GFCCVEGCSA-N 0 1 381.444 1.282 20 0 GDADMN C[C@@H](NC(=O)C1=CCOCC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575259657 949331728 /nfs/dbraw/zinc/33/17/28/949331728.db2.gz PWRMMMZUWFHOQA-GFCCVEGCSA-N 0 1 386.431 1.289 20 0 GDADMN CC(C)n1ccc(CNC2CC(N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574459410 949354676 /nfs/dbraw/zinc/35/46/76/949354676.db2.gz FURCTNHULWGEQH-UHFFFAOYSA-N 0 1 383.460 1.365 20 0 GDADMN CC(C)n1ccc(CC(=O)NCC[C@H](C)Nc2ccncc2-c2nn[nH]n2)n1 ZINC001574460134 949367112 /nfs/dbraw/zinc/36/71/12/949367112.db2.gz PTFNOEWKHAAADZ-ZDUSSCGKSA-N 0 1 383.460 1.010 20 0 GDADMN C[C@@H](CNC(=O)Cc1c[nH]cn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574943054 949370120 /nfs/dbraw/zinc/37/01/20/949370120.db2.gz VOKMSPUXEUIDDN-ZETCQYMHSA-N 0 1 381.853 1.107 20 0 GDADMN CC(C)n1cccc1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574460403 949376377 /nfs/dbraw/zinc/37/63/77/949376377.db2.gz UFSFNXMYQYUOIA-ZDUSSCGKSA-N 0 1 381.444 1.390 20 0 GDADMN C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574704445 949388057 /nfs/dbraw/zinc/38/80/57/949388057.db2.gz CMLMOEFEGCNKMY-CYBMUJFWSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CCCOCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263142 949388439 /nfs/dbraw/zinc/38/84/39/949388439.db2.gz DYXMKLCLEGKJQT-ZBFHGGJFSA-N 0 1 384.484 1.620 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574704633 949400719 /nfs/dbraw/zinc/40/07/19/949400719.db2.gz DRWUEXXERCEQCT-UONOGXRCSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574704633 949400732 /nfs/dbraw/zinc/40/07/32/949400732.db2.gz DRWUEXXERCEQCT-UONOGXRCSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574704633 949400740 /nfs/dbraw/zinc/40/07/40/949400740.db2.gz DRWUEXXERCEQCT-UONOGXRCSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574704633 949400748 /nfs/dbraw/zinc/40/07/48/949400748.db2.gz DRWUEXXERCEQCT-UONOGXRCSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574704876 949408286 /nfs/dbraw/zinc/40/82/86/949408286.db2.gz FKHBWPQYUWMCOR-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574704876 949408297 /nfs/dbraw/zinc/40/82/97/949408297.db2.gz FKHBWPQYUWMCOR-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574704876 949408309 /nfs/dbraw/zinc/40/83/09/949408309.db2.gz FKHBWPQYUWMCOR-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574704876 949408318 /nfs/dbraw/zinc/40/83/18/949408318.db2.gz FKHBWPQYUWMCOR-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)n1cnc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001574464361 949410325 /nfs/dbraw/zinc/41/03/25/949410325.db2.gz MBSVXAXEMUGGPC-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263851 949410697 /nfs/dbraw/zinc/41/06/97/949410697.db2.gz KGYXOOVKXFHXGA-VOJFVSQTSA-N 0 1 390.513 1.416 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576156249 949435017 /nfs/dbraw/zinc/43/50/17/949435017.db2.gz MGARESOZRORDNW-SGTLLEGYSA-N 0 1 381.444 1.198 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575535168 949439837 /nfs/dbraw/zinc/43/98/37/949439837.db2.gz SVKYWTCLXBLRNZ-SJKOYZFVSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575535168 949439862 /nfs/dbraw/zinc/43/98/62/949439862.db2.gz SVKYWTCLXBLRNZ-SJKOYZFVSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576157335 949483719 /nfs/dbraw/zinc/48/37/19/949483719.db2.gz PTXCQWIXONRMRV-UKRRQHHQSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574711098 949523423 /nfs/dbraw/zinc/52/34/23/949523423.db2.gz DCPFSXNBCXKCRF-ZDUSSCGKSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574711098 949523434 /nfs/dbraw/zinc/52/34/34/949523434.db2.gz DCPFSXNBCXKCRF-ZDUSSCGKSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576163949 949545651 /nfs/dbraw/zinc/54/56/51/949545651.db2.gz DKQYHXMEYHZSEO-KBPBESRZSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164205 949547973 /nfs/dbraw/zinc/54/79/73/949547973.db2.gz FBEAZFRGTNDNQT-VHSXEESVSA-N 0 1 384.366 1.070 20 0 GDADMN CC(C)CC(=O)NCc1ccccc1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574123273 949550898 /nfs/dbraw/zinc/55/08/98/949550898.db2.gz QKZBMNUBMOSIPT-UHFFFAOYSA-N 0 1 380.456 1.955 20 0 GDADMN CC1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575540279 949568420 /nfs/dbraw/zinc/56/84/20/949568420.db2.gz WLOAUVUVDALDPZ-AWEZNQCLSA-N 0 1 384.488 1.700 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873160 949570365 /nfs/dbraw/zinc/57/03/65/949570365.db2.gz NYHHFZXWMUXKHZ-GHMZBOCLSA-N 0 1 380.403 1.566 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574955841 949572666 /nfs/dbraw/zinc/57/26/66/949572666.db2.gz FUVZWWQDEQLYID-JGFGOQIWSA-N 0 1 388.447 1.415 20 0 GDADMN C[C@@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574712698 949583598 /nfs/dbraw/zinc/58/35/98/949583598.db2.gz SYNRYVPNGCCMHW-JTQLQIEISA-N 0 1 382.419 1.409 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001576167150 949598826 /nfs/dbraw/zinc/59/88/26/949598826.db2.gz OYGYHKOFZMOBQN-RHSMWYFYSA-N 0 1 387.488 1.752 20 0 GDADMN CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574129119 949631764 /nfs/dbraw/zinc/63/17/64/949631764.db2.gz QNRAQLSRWUOSRR-AWEZNQCLSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272396 949640118 /nfs/dbraw/zinc/64/01/18/949640118.db2.gz QDENUEUWSDGTOQ-KGLIPLIRSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272396 949640128 /nfs/dbraw/zinc/64/01/28/949640128.db2.gz QDENUEUWSDGTOQ-KGLIPLIRSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574715135 949640760 /nfs/dbraw/zinc/64/07/60/949640760.db2.gz BONSSQKULYEFMN-KBPBESRZSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575272434 949647310 /nfs/dbraw/zinc/64/73/10/949647310.db2.gz QRUFALZFHZNCLV-DZGCQCFKSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576169041 949663158 /nfs/dbraw/zinc/66/31/58/949663158.db2.gz IAIRIRKSWZTKNW-ZIAGYGMSSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715754 949666064 /nfs/dbraw/zinc/66/60/64/949666064.db2.gz GEOQZQFZYKXFET-CZUORRHYSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573817812 949707362 /nfs/dbraw/zinc/70/73/62/949707362.db2.gz BKWSWUUVIVTUEW-CJNGLKHVSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575881664 949727879 /nfs/dbraw/zinc/72/78/79/949727879.db2.gz ZKYZFLCDBJUKDS-ZJUUUORDSA-N 0 1 384.366 1.473 20 0 GDADMN CC1(C(=O)N2C[C@@H]3CN(c4nc(-c5nn[nH]n5)c(Cl)s4)C[C@@H]3C2)CC1 ZINC001575558054 949733562 /nfs/dbraw/zinc/73/35/62/949733562.db2.gz NPNCGVHZOZUROC-DTORHVGOSA-N 0 1 379.877 1.671 20 0 GDADMN C[C@H]1CCCN(C(=O)CCCC2CC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171015 949746946 /nfs/dbraw/zinc/74/69/46/949746946.db2.gz OPPPYUHDNLKFQO-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCOC1 ZINC001573818967 949747223 /nfs/dbraw/zinc/74/72/23/949747223.db2.gz PURWEYYABCCPOH-BBRMVZONSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@H](NC(=O)CCc1cnccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277922 949761067 /nfs/dbraw/zinc/76/10/67/949761067.db2.gz SOODKSYKSAMYMR-CQSZACIVSA-N 0 1 392.467 1.226 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574480936 949761800 /nfs/dbraw/zinc/76/18/00/949761800.db2.gz LOVLQSKHCVUJEQ-STQMWFEESA-N 0 1 382.428 1.481 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001574137700 949767192 /nfs/dbraw/zinc/76/71/92/949767192.db2.gz WTWQSYOOCSWGRU-RBSFLKMASA-N 0 1 386.504 1.657 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccoc1Cl ZINC001573820690 949768082 /nfs/dbraw/zinc/76/80/82/949768082.db2.gz YTYKSRSELRAIOZ-SNVBAGLBSA-N 0 1 390.835 1.582 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)CCCC1 ZINC001575560217 949782813 /nfs/dbraw/zinc/78/28/13/949782813.db2.gz MRUJTGSCUNWUFO-STQMWFEESA-N 0 1 382.472 1.498 20 0 GDADMN C[C@H](NC(=O)COC1CCCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575281281 949808480 /nfs/dbraw/zinc/80/84/80/949808480.db2.gz FGHKMJSZLPWISH-AWEZNQCLSA-N 0 1 384.484 1.762 20 0 GDADMN CC(C)C[C@@H](C)CN1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574139280 949810506 /nfs/dbraw/zinc/81/05/06/949810506.db2.gz JFOBBYVYSOVIRF-ZIAGYGMSSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576172938 949825834 /nfs/dbraw/zinc/82/58/34/949825834.db2.gz ZTJWMETWTBUERA-DOMZBBRYSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574968217 949894161 /nfs/dbraw/zinc/89/41/61/949894161.db2.gz NQKQZUIFGVTBBI-QMMMGPOBSA-N 0 1 379.396 1.510 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cncc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574968217 949894181 /nfs/dbraw/zinc/89/41/81/949894181.db2.gz NQKQZUIFGVTBBI-QMMMGPOBSA-N 0 1 379.396 1.510 20 0 GDADMN C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1Cl)[C@H](C)NC(=O)CN1CCCC1 ZINC001575284868 949921707 /nfs/dbraw/zinc/92/17/07/949921707.db2.gz KNERDNDEJDDHJH-WDEREUQCSA-N 0 1 378.868 1.316 20 0 GDADMN C[C@H](NC(=O)CCn1cccn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285572 949952945 /nfs/dbraw/zinc/95/29/45/949952945.db2.gz OXNZKYCUEYEIDP-LBPRGKRZSA-N 0 1 386.485 1.152 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2cccnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180522 949961000 /nfs/dbraw/zinc/96/10/00/949961000.db2.gz DWYNVZKIRJIJEX-HOCLYGCPSA-N 0 1 392.467 1.218 20 0 GDADMN CC1(C(=O)NC[C@H](CO)Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCCC1 ZINC001575572649 949983142 /nfs/dbraw/zinc/98/31/42/949983142.db2.gz IHMJLWIKJLDFTB-MRVPVSSYSA-N 0 1 385.881 1.446 20 0 GDADMN CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001575573337 949991302 /nfs/dbraw/zinc/99/13/02/949991302.db2.gz LWBFDTHZCUIPBD-LBPRGKRZSA-N 0 1 378.502 1.465 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891249 949994585 /nfs/dbraw/zinc/99/45/85/949994585.db2.gz GYHZQFPSFOIYEK-UWVGGRQHSA-N 0 1 387.835 1.426 20 0 GDADMN C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001574491790 950046777 /nfs/dbraw/zinc/04/67/77/950046777.db2.gz FZPXGEWZPXOEND-ZDUSSCGKSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1cnns1 ZINC001576182828 950066537 /nfs/dbraw/zinc/06/65/37/950066537.db2.gz POZATLBZAFDQLW-HZMBPMFUSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccccc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182774 950066996 /nfs/dbraw/zinc/06/69/96/950066996.db2.gz PGRLRMHXNPQRKG-ZFWWWQNUSA-N 0 1 378.440 1.431 20 0 GDADMN C[C@]1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCc2ccccc21 ZINC001575581987 950095240 /nfs/dbraw/zinc/09/52/40/950095240.db2.gz AUYRRGRQTRYPSN-IBGZPJMESA-N 0 1 390.451 1.043 20 0 GDADMN C[C@@]1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCCCC2)CCOC1 ZINC001575582072 950097768 /nfs/dbraw/zinc/09/77/68/950097768.db2.gz DGUZAEPHCBOVBA-GOSISDBHSA-N 0 1 385.472 1.341 20 0 GDADMN CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574492764 950104194 /nfs/dbraw/zinc/10/41/94/950104194.db2.gz COQXTDBMOJRPDQ-QWHCGFSZSA-N 0 1 384.444 1.418 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184107 950117848 /nfs/dbraw/zinc/11/78/48/950117848.db2.gz UAIIDQDATRKDGC-OLZOCXBDSA-N 0 1 382.472 1.165 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N[C@@H](C)c1cc(F)ccc1F ZINC001574979211 950149645 /nfs/dbraw/zinc/14/96/45/950149645.db2.gz XNNPZOFKIWYZLO-UWVGGRQHSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cccc(F)c1Cl ZINC001574982587 950176177 /nfs/dbraw/zinc/17/61/77/950176177.db2.gz DXINXRBJXRRWLN-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574494742 950179934 /nfs/dbraw/zinc/17/99/34/950179934.db2.gz NLSCGPNBKSCKQI-UGSOOPFHSA-N 0 1 392.467 1.579 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccoc1 ZINC001574155254 950186634 /nfs/dbraw/zinc/18/66/34/950186634.db2.gz KPURFJWJUKSVIU-AWEZNQCLSA-N 0 1 384.444 1.247 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ncccn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575900128 950190347 /nfs/dbraw/zinc/19/03/47/950190347.db2.gz CJCBOSRUICQLSZ-CJNGLKHVSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ncccn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900657 950204172 /nfs/dbraw/zinc/20/41/72/950204172.db2.gz HBWNETIZMZDSBD-XJKSGUPXSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)(C)CCCN1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845276 950220048 /nfs/dbraw/zinc/22/00/48/950220048.db2.gz UONTWOMYJLJBCJ-ZDUSSCGKSA-N 0 1 375.477 1.452 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575901148 950220361 /nfs/dbraw/zinc/22/03/61/950220361.db2.gz LSVSDLWGTKNGOX-RISCZKNCSA-N 0 1 384.469 1.501 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccoc1Cl ZINC001574159633 950310102 /nfs/dbraw/zinc/31/01/02/950310102.db2.gz XBOMRNLASWCERX-SNVBAGLBSA-N 0 1 390.835 1.582 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)COC(C)(C)C ZINC001574159893 950319911 /nfs/dbraw/zinc/31/99/11/950319911.db2.gz ZGJODULKUMFEQW-CYBMUJFWSA-N 0 1 375.477 1.442 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574502086 950356940 /nfs/dbraw/zinc/35/69/40/950356940.db2.gz ITGHAPVAILVVIW-MNOVXSKESA-N 0 1 383.378 1.793 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574502103 950359125 /nfs/dbraw/zinc/35/91/25/950359125.db2.gz IWLYYXHLAPPTAD-DZGCQCFKSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573856490 950385912 /nfs/dbraw/zinc/38/59/12/950385912.db2.gz AOJLJHPAEIWSGW-RNFRBKRXSA-N 0 1 387.853 1.369 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574503688 950419356 /nfs/dbraw/zinc/41/93/56/950419356.db2.gz YSWIKIGGLJSZRF-OLZOCXBDSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574750662 950433679 /nfs/dbraw/zinc/43/36/79/950433679.db2.gz FRINMFFPYZTYAZ-QMMMGPOBSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(Cl)no1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574750662 950433700 /nfs/dbraw/zinc/43/37/00/950433700.db2.gz FRINMFFPYZTYAZ-QMMMGPOBSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574507403 950454519 /nfs/dbraw/zinc/45/45/19/950454519.db2.gz IFTCLGTWZDEDCU-WBOJAVRRSA-N 0 1 385.472 1.196 20 0 GDADMN CC(C)(C)OC(=O)N=c1[nH]c(CNc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001573861834 950454894 /nfs/dbraw/zinc/45/48/94/950454894.db2.gz IRPHRGAYYQCXGG-UHFFFAOYSA-N 0 1 375.418 1.494 20 0 GDADMN CC1CCN(CC(=O)NC[C@H](Nc2ncccc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576204748 950472235 /nfs/dbraw/zinc/47/22/35/950472235.db2.gz BQMIQIVXJXGGMR-INIZCTEOSA-N 0 1 384.488 1.300 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573866456 950503182 /nfs/dbraw/zinc/50/31/82/950503182.db2.gz CRERJMVZJVGSFZ-QWHCGFSZSA-N 0 1 386.460 1.042 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753839 950544133 /nfs/dbraw/zinc/54/41/33/950544133.db2.gz UFCBUHBIVRUCLR-SNVBAGLBSA-N 0 1 388.382 1.589 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574997887 950554416 /nfs/dbraw/zinc/55/44/16/950554416.db2.gz YYSKGKQFSPXSGZ-NSHDSACASA-N 0 1 383.460 1.537 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207030 950586900 /nfs/dbraw/zinc/58/69/00/950586900.db2.gz BPMHZCNNRVMIDO-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207030 950586915 /nfs/dbraw/zinc/58/69/15/950586915.db2.gz BPMHZCNNRVMIDO-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207030 950586933 /nfs/dbraw/zinc/58/69/33/950586933.db2.gz BPMHZCNNRVMIDO-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207030 950586952 /nfs/dbraw/zinc/58/69/52/950586952.db2.gz BPMHZCNNRVMIDO-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575000259 950597571 /nfs/dbraw/zinc/59/75/71/950597571.db2.gz BSPDICXLYJPALV-MRVPVSSYSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)n(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575000259 950597584 /nfs/dbraw/zinc/59/75/84/950597584.db2.gz BSPDICXLYJPALV-MRVPVSSYSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001575919363 950609732 /nfs/dbraw/zinc/60/97/32/950609732.db2.gz HAPNOXNDHBCURI-WCQYABFASA-N 0 1 384.469 1.174 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC001575920277 950631430 /nfs/dbraw/zinc/63/14/30/950631430.db2.gz MDSMKFHKHSXPIK-JSGCOSHPSA-N 0 1 384.488 1.696 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCCO1 ZINC001574516190 950631634 /nfs/dbraw/zinc/63/16/34/950631634.db2.gz GKDLKCLVXJSKCE-LMJFTQNUSA-N 0 1 383.456 1.018 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575922655 950649853 /nfs/dbraw/zinc/64/98/53/950649853.db2.gz ACACJFKECPTMDT-GXFFZTMASA-N 0 1 380.412 1.264 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccn(C)n1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574760557 950667922 /nfs/dbraw/zinc/66/79/22/950667922.db2.gz WZKUWILQIQTWQA-ZETCQYMHSA-N 0 1 381.853 1.283 20 0 GDADMN CC(C)n1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001574763532 950719188 /nfs/dbraw/zinc/71/91/88/950719188.db2.gz DHWHMQNWGRJBOQ-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001574763532 950719200 /nfs/dbraw/zinc/71/92/00/950719200.db2.gz DHWHMQNWGRJBOQ-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575927039 950729599 /nfs/dbraw/zinc/72/95/99/950729599.db2.gz NFCMTVPJJSWCFA-WCBMZHEXSA-N 0 1 390.860 1.509 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573879891 950733536 /nfs/dbraw/zinc/73/35/36/950733536.db2.gz NQDCKANTOKQDEJ-KSTCHIGDSA-N 0 1 382.472 1.565 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576216605 950738126 /nfs/dbraw/zinc/73/81/26/950738126.db2.gz DYQAVWQXTNCENK-GXSJLCMTSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576216605 950738144 /nfs/dbraw/zinc/73/81/44/950738144.db2.gz DYQAVWQXTNCENK-GXSJLCMTSA-N 0 1 382.440 1.910 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C)cn1 ZINC001575927986 950769702 /nfs/dbraw/zinc/76/97/02/950769702.db2.gz XARJDHXQQHQMKA-IUODEOHRSA-N 0 1 381.444 1.176 20 0 GDADMN CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573884695 950799207 /nfs/dbraw/zinc/79/92/07/950799207.db2.gz IYLILCWJJQURHJ-UHFFFAOYSA-N 0 1 381.444 1.079 20 0 GDADMN CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573884727 950803894 /nfs/dbraw/zinc/80/38/94/950803894.db2.gz KDSNHUUAHLQNSD-LLVKDONJSA-N 0 1 381.444 1.031 20 0 GDADMN CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574186503 950811476 /nfs/dbraw/zinc/81/14/76/950811476.db2.gz FLXDHHMNDKMAJW-PBHICJAKSA-N 0 1 387.488 1.538 20 0 GDADMN CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])NC(=O)N[C@H]1c1ccco1 ZINC001590178167 950853294 /nfs/dbraw/zinc/85/32/94/950853294.db2.gz FMUXARUQSDLWKO-PXAZEXFGSA-N 0 1 391.424 1.780 20 0 GDADMN CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])NC(=O)N[C@H]1c1ccco1 ZINC001590178167 950853307 /nfs/dbraw/zinc/85/33/07/950853307.db2.gz FMUXARUQSDLWKO-PXAZEXFGSA-N 0 1 391.424 1.780 20 0 GDADMN CCOC(=O)C1CCC(O)(C[N@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC1 ZINC001590208411 950887619 /nfs/dbraw/zinc/88/76/19/950887619.db2.gz LRFKEFURYZEXJW-KMFGOTIKSA-N 0 1 393.484 1.395 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527707 950902079 /nfs/dbraw/zinc/90/20/79/950902079.db2.gz GCEADXDKOMGEAC-WDEREUQCSA-N 0 1 387.469 1.716 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527707 950902092 /nfs/dbraw/zinc/90/20/92/950902092.db2.gz GCEADXDKOMGEAC-WDEREUQCSA-N 0 1 387.469 1.716 20 0 GDADMN CC(C)c1cnc(CN[C@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574527900 950912657 /nfs/dbraw/zinc/91/26/57/950912657.db2.gz IJNVXJJEBUYDJT-NEPJUHHUSA-N 0 1 386.460 1.993 20 0 GDADMN CC(C)c1cnc(CN[C@@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574527901 950914675 /nfs/dbraw/zinc/91/46/75/950914675.db2.gz IJNVXJJEBUYDJT-NWDGAFQWSA-N 0 1 386.460 1.993 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574528079 950923873 /nfs/dbraw/zinc/92/38/73/950923873.db2.gz KRWQMVJGRHBESX-ZJUUUORDSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574528079 950923883 /nfs/dbraw/zinc/92/38/83/950923883.db2.gz KRWQMVJGRHBESX-ZJUUUORDSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575936988 950937730 /nfs/dbraw/zinc/93/77/30/950937730.db2.gz BVSXNWCIGVNJOW-CHWSQXEVSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575936988 950937747 /nfs/dbraw/zinc/93/77/47/950937747.db2.gz BVSXNWCIGVNJOW-CHWSQXEVSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575936988 950937761 /nfs/dbraw/zinc/93/77/61/950937761.db2.gz BVSXNWCIGVNJOW-CHWSQXEVSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575936988 950937785 /nfs/dbraw/zinc/93/77/85/950937785.db2.gz BVSXNWCIGVNJOW-CHWSQXEVSA-N 0 1 378.502 1.634 20 0 GDADMN CC1CC(C(=O)N(C)C[C@H](O)CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001575937212 950940086 /nfs/dbraw/zinc/94/00/86/950940086.db2.gz CVVDJTMEKRBQBH-AMDVSUOASA-N 0 1 385.881 1.254 20 0 GDADMN CC(C)(CC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573897454 950961989 /nfs/dbraw/zinc/96/19/89/950961989.db2.gz PRXRTRFSLMNADJ-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)(CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001573897468 950963062 /nfs/dbraw/zinc/96/30/62/950963062.db2.gz QAXBKHQBXSBAIM-UHFFFAOYSA-N 0 1 392.467 1.507 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573897809 950965371 /nfs/dbraw/zinc/96/53/71/950965371.db2.gz TVPJQAWUBUUWOM-GXTWGEPZSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)CCC[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574195500 950990634 /nfs/dbraw/zinc/99/06/34/950990634.db2.gz QCPIYIOEOLZQLG-GOSISDBHSA-N 0 1 375.477 1.188 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)Cc2cc(F)ccc2-c2nn[nH]n2)CCO1 ZINC001575938933 950996258 /nfs/dbraw/zinc/99/62/58/950996258.db2.gz NTRMTJUYAQUVDP-KGLIPLIRSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574773951 950998278 /nfs/dbraw/zinc/99/82/78/950998278.db2.gz AABIHCQXUWRXRW-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575939076 951001055 /nfs/dbraw/zinc/00/10/55/951001055.db2.gz OUIREGFGGYLZJL-CHWSQXEVSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575939076 951001078 /nfs/dbraw/zinc/00/10/78/951001078.db2.gz OUIREGFGGYLZJL-CHWSQXEVSA-N 0 1 392.529 1.927 20 0 GDADMN CC(C)(CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573900245 951001757 /nfs/dbraw/zinc/00/17/57/951001757.db2.gz WUYLIUICRIXWGY-KYZUINATSA-N 0 1 384.366 1.116 20 0 GDADMN CCOC(=O)N1CCC(C)(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1 ZINC001590873153 951003951 /nfs/dbraw/zinc/00/39/51/951003951.db2.gz JDGXSUHSYIFJFA-RDYUPDBUSA-N 0 1 396.484 1.831 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575019424 951037224 /nfs/dbraw/zinc/03/72/24/951037224.db2.gz SZCWFSWFGQOEGC-MRVPVSSYSA-N 0 1 392.345 1.386 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575019376 951038494 /nfs/dbraw/zinc/03/84/94/951038494.db2.gz STKPQJJLMBIWPC-QMMMGPOBSA-N 0 1 392.345 1.386 20 0 GDADMN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](C)CCCC(=O)[O-] ZINC001591269201 951106890 /nfs/dbraw/zinc/10/68/90/951106890.db2.gz WXDFCEABUPDGIE-UHFFFAOYSA-N 0 1 388.424 1.784 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H]2CC[C@H]2OC)c(C(=O)[O-])c1C ZINC001591425933 951134852 /nfs/dbraw/zinc/13/48/52/951134852.db2.gz KDFVJCVYRGBLAT-GHMZBOCLSA-N 0 1 384.454 1.979 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@H]2OC)c(C(=O)[O-])c1C ZINC001591425933 951134857 /nfs/dbraw/zinc/13/48/57/951134857.db2.gz KDFVJCVYRGBLAT-GHMZBOCLSA-N 0 1 384.454 1.979 20 0 GDADMN CCOC(=O)c1sc([C@H]2CC[N@@H+]([C@@H]3CCN(CC(=O)[O-])C3=O)C2)nc1C ZINC001591426623 951139871 /nfs/dbraw/zinc/13/98/71/951139871.db2.gz SCASEBAJAAWBAC-NWDGAFQWSA-N 0 1 381.454 1.103 20 0 GDADMN CCOC(=O)c1sc([C@H]2CC[N@H+]([C@@H]3CCN(CC(=O)[O-])C3=O)C2)nc1C ZINC001591426623 951139877 /nfs/dbraw/zinc/13/98/77/951139877.db2.gz SCASEBAJAAWBAC-NWDGAFQWSA-N 0 1 381.454 1.103 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c(C(=O)[O-])c1C ZINC001591467177 951152145 /nfs/dbraw/zinc/15/21/45/951152145.db2.gz WOTRRDJPIRVGBD-KOLCDFICSA-N 0 1 384.454 1.573 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)c(C(=O)[O-])c1C ZINC001591467177 951152150 /nfs/dbraw/zinc/15/21/50/951152150.db2.gz WOTRRDJPIRVGBD-KOLCDFICSA-N 0 1 384.454 1.573 20 0 GDADMN C[C@H](CNC(=O)c1cccn1C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575031460 951193361 /nfs/dbraw/zinc/19/33/61/951193361.db2.gz ALIOGXIANIEPPU-MRVPVSSYSA-N 0 1 380.865 1.570 20 0 GDADMN C[C@@H](CNC(=O)c1ccnn1C1CCCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001575034631 951254411 /nfs/dbraw/zinc/25/44/11/951254411.db2.gz OZKRMUOTLZRBKV-LBPRGKRZSA-N 0 1 381.444 1.226 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001575035549 951276332 /nfs/dbraw/zinc/27/63/32/951276332.db2.gz KLJRJBRVTHQEIC-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001575035549 951276341 /nfs/dbraw/zinc/27/63/41/951276341.db2.gz KLJRJBRVTHQEIC-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@H](CNC(=O)c1ccoc1Br)Nc1ccncc1-c1nn[nH]n1 ZINC001575039117 951325280 /nfs/dbraw/zinc/32/52/80/951325280.db2.gz NSHAXZGEHABTNB-MRVPVSSYSA-N 0 1 392.217 1.270 20 0 GDADMN C[C@H]1[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000389068297 951344436 /nfs/dbraw/zinc/34/44/36/951344436.db2.gz VPUQCUXGZQASKJ-YOEHRIQHSA-N 0 1 381.498 1.280 20 0 GDADMN O=C([O-])C1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000389999644 951367635 /nfs/dbraw/zinc/36/76/35/951367635.db2.gz PGLWKWRUAXGINT-GOSISDBHSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@H](CNC(=O)c1cnc(Cl)n1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575044790 951418022 /nfs/dbraw/zinc/41/80/22/951418022.db2.gz VCJQMJCDCOGNHK-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(F)c1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575046955 951449977 /nfs/dbraw/zinc/44/99/77/951449977.db2.gz VSBZDVMOTLLREI-LURJTMIESA-N 0 1 382.812 1.741 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)cn1 ZINC001575051981 951459922 /nfs/dbraw/zinc/45/99/22/951459922.db2.gz CPVPTECWAFCHFW-LBPRGKRZSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575056317 951518910 /nfs/dbraw/zinc/51/89/10/951518910.db2.gz HHWRGRNSQCVZAO-VIFPVBQESA-N 0 1 385.457 1.245 20 0 GDADMN C[C@@H](CNC(=O)c1occ2c1CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575067504 951613196 /nfs/dbraw/zinc/61/31/96/951613196.db2.gz UJDQZQXBJZYDCE-NSHDSACASA-N 0 1 384.415 1.996 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CCC(=O)[O-])CC1 ZINC001602881872 971762470 /nfs/dbraw/zinc/76/24/70/971762470.db2.gz NOPLXPLHWMOEKF-IYBDPMFKSA-N 0 1 395.500 1.926 20 0 GDADMN O=C([O-])CN1CCC([NH2+][C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001595079927 951672022 /nfs/dbraw/zinc/67/20/22/951672022.db2.gz YPCOTSFMNBADHZ-SFHVURJKSA-N 0 1 375.469 1.926 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575091347 951773506 /nfs/dbraw/zinc/77/35/06/951773506.db2.gz RUSWAIHOLMSLNL-KPZWWZAWSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575091347 951773512 /nfs/dbraw/zinc/77/35/12/951773512.db2.gz RUSWAIHOLMSLNL-KPZWWZAWSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575091733 951781652 /nfs/dbraw/zinc/78/16/52/951781652.db2.gz XCRLMWBNJXUEPF-SGTLLEGYSA-N 0 1 376.436 1.369 20 0 GDADMN O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1=O ZINC001595092231 951788669 /nfs/dbraw/zinc/78/86/69/951788669.db2.gz ZWWJKBRJWWRZOV-IRXDYDNUSA-N 0 1 394.516 1.548 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001575098385 951820837 /nfs/dbraw/zinc/82/08/37/951820837.db2.gz CBLNTSQYTDFYMN-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001575098385 951820843 /nfs/dbraw/zinc/82/08/43/951820843.db2.gz CBLNTSQYTDFYMN-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098737 951826736 /nfs/dbraw/zinc/82/67/36/951826736.db2.gz FTIWZQNZAQCSOG-QWHCGFSZSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)C[C@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098737 951826748 /nfs/dbraw/zinc/82/67/48/951826748.db2.gz FTIWZQNZAQCSOG-QWHCGFSZSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1nccn1C ZINC001575099029 951828368 /nfs/dbraw/zinc/82/83/68/951828368.db2.gz HKINZEGKKHCGSN-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100938 951850550 /nfs/dbraw/zinc/85/05/50/951850550.db2.gz XGEABGLHQQKEOD-APPDUMDISA-N 0 1 378.502 1.321 20 0 GDADMN C[C@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100938 951850557 /nfs/dbraw/zinc/85/05/57/951850557.db2.gz XGEABGLHQQKEOD-APPDUMDISA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)n1ccc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001575101363 951857675 /nfs/dbraw/zinc/85/76/75/951857675.db2.gz CHRKIGNWJOYTAT-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1ccc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001575101363 951857678 /nfs/dbraw/zinc/85/76/78/951857678.db2.gz CHRKIGNWJOYTAT-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575101396 951857731 /nfs/dbraw/zinc/85/77/31/951857731.db2.gz CZPNLATYPWUUGG-UNJBNNCHSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575101396 951857737 /nfs/dbraw/zinc/85/77/37/951857737.db2.gz CZPNLATYPWUUGG-UNJBNNCHSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575103454 951876434 /nfs/dbraw/zinc/87/64/34/951876434.db2.gz UNNVSMVSCOZIOT-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575103454 951876440 /nfs/dbraw/zinc/87/64/40/951876440.db2.gz UNNVSMVSCOZIOT-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](CNCc1noc2c1CCCC2)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117014 951975222 /nfs/dbraw/zinc/97/52/22/951975222.db2.gz KFTDUBSXOYJYIU-LLVKDONJSA-N 0 1 384.444 1.217 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575134498 952110904 /nfs/dbraw/zinc/11/09/04/952110904.db2.gz INZHLKIWEFVUCJ-YWZLYKJASA-N 0 1 390.451 1.115 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575134518 952112255 /nfs/dbraw/zinc/11/22/55/952112255.db2.gz IUFITPIFRPEFOZ-FZKQIMNGSA-N 0 1 382.472 1.356 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575143933 952159210 /nfs/dbraw/zinc/15/92/10/952159210.db2.gz DTCQOQFWXLLLJO-LIRRHRJNSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575143932 952159663 /nfs/dbraw/zinc/15/96/63/952159663.db2.gz DTCQOQFWXLLLJO-KUHUBIRLSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001575144662 952169230 /nfs/dbraw/zinc/16/92/30/952169230.db2.gz XDGAQRMDKNOOPV-CJNGLKHVSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575144663 952169293 /nfs/dbraw/zinc/16/92/93/952169293.db2.gz KCPGZKKNLBKHJK-FQEVSTJZSA-N 0 1 377.452 1.623 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575144721 952171105 /nfs/dbraw/zinc/17/11/05/952171105.db2.gz XPCSYRLHHYEBPW-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575144868 952173512 /nfs/dbraw/zinc/17/35/12/952173512.db2.gz YRFKZJDGONIUPF-SECBINFHSA-N 0 1 392.876 1.295 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnc2ccccc2c1 ZINC001575144926 952174620 /nfs/dbraw/zinc/17/46/20/952174620.db2.gz NQRROTSCNUJXSI-LBPRGKRZSA-N 0 1 389.423 1.199 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)Oc1ccccc1Br ZINC001575145530 952185785 /nfs/dbraw/zinc/18/57/85/952185785.db2.gz ZJRKTAOTKIEOCF-VIFPVBQESA-N 0 1 376.218 1.721 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575146001 952190637 /nfs/dbraw/zinc/19/06/37/952190637.db2.gz FMTCWKVKNVXEGF-IAQYHMDHSA-N 0 1 381.415 1.421 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575146196 952191076 /nfs/dbraw/zinc/19/10/76/952191076.db2.gz HURNRYQFZMDVFE-GFCCVEGCSA-N 0 1 381.440 1.728 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575146383 952192612 /nfs/dbraw/zinc/19/26/12/952192612.db2.gz JUTNBNPHQZOVMJ-ZDUSSCGKSA-N 0 1 380.456 1.394 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575147914 952201928 /nfs/dbraw/zinc/20/19/28/952201928.db2.gz WXKNREYSHWRRAU-CYBMUJFWSA-N 0 1 380.456 1.322 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575148136 952202510 /nfs/dbraw/zinc/20/25/10/952202510.db2.gz XUROGJFAJADOBP-NSHDSACASA-N 0 1 382.428 1.197 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cn(C)cn1 ZINC001575164215 952288019 /nfs/dbraw/zinc/28/80/19/952288019.db2.gz CAZLNARPBDXEKR-SSDOTTSWSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575164730 952298718 /nfs/dbraw/zinc/29/87/18/952298718.db2.gz GZAIWZQDZNHQPG-SECBINFHSA-N 0 1 384.897 1.331 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnsn1 ZINC001575166501 952325997 /nfs/dbraw/zinc/32/59/97/952325997.db2.gz WVUZYTNMSQNKSH-YFKPBYRVSA-N 0 1 385.866 1.401 20 0 GDADMN C[C@@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575166693 952326797 /nfs/dbraw/zinc/32/67/97/952326797.db2.gz XJNZYNGICKVSOE-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575166693 952326820 /nfs/dbraw/zinc/32/68/20/952326820.db2.gz XJNZYNGICKVSOE-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575166693 952326829 /nfs/dbraw/zinc/32/68/29/952326829.db2.gz XJNZYNGICKVSOE-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575195863 952472836 /nfs/dbraw/zinc/47/28/36/952472836.db2.gz CGKKJDFQUDIVJQ-SGTLLEGYSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001575196165 952474038 /nfs/dbraw/zinc/47/40/38/952474038.db2.gz DXIBIRUWDCUESX-KCQAQPDRSA-N 0 1 394.439 1.166 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575195934 952474563 /nfs/dbraw/zinc/47/45/63/952474563.db2.gz DJWLLAMNEMVRGK-ZIAGYGMSSA-N 0 1 381.440 1.558 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001575196227 952475275 /nfs/dbraw/zinc/47/52/75/952475275.db2.gz FXAHVKUFLLRKGY-OUCADQQQSA-N 0 1 382.428 1.069 20 0 GDADMN CC[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571117549 952483192 /nfs/dbraw/zinc/48/31/92/952483192.db2.gz MXBHLEJMGYZBKT-KCPJHIHWSA-N 0 1 375.452 1.605 20 0 GDADMN CCO[C@@]1(C)C[C@H]1NC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001571117789 952484849 /nfs/dbraw/zinc/48/48/49/952484849.db2.gz QQEZBEMJJPDAKA-PXAZEXFGSA-N 0 1 375.433 1.063 20 0 GDADMN CC[C@H](C(=O)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1)[NH+](C)C ZINC001571118365 952488738 /nfs/dbraw/zinc/48/87/38/952488738.db2.gz WEKNHXMEGPAKJT-OAHLLOKOSA-N 0 1 375.452 1.749 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200196 952492284 /nfs/dbraw/zinc/49/22/84/952492284.db2.gz ACDCFBXWUPPPQV-GXTWGEPZSA-N 0 1 381.444 1.267 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571120764 952508425 /nfs/dbraw/zinc/50/84/25/952508425.db2.gz QTMIQYNATFRATA-AWEZNQCLSA-N 0 1 376.424 1.296 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571121133 952516016 /nfs/dbraw/zinc/51/60/16/952516016.db2.gz WVBOGRVEYAYAAW-SNPRPXQTSA-N 0 1 376.411 1.849 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCN(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575203045 952518634 /nfs/dbraw/zinc/51/86/34/952518634.db2.gz ZBUVIPFGAGXXGD-JTQLQIEISA-N 0 1 389.851 1.069 20 0 GDADMN O=C(NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCCO1 ZINC001571121697 952522133 /nfs/dbraw/zinc/52/21/33/952522133.db2.gz BQVJMVUYPPHNBG-CQSZACIVSA-N 0 1 376.486 1.435 20 0 GDADMN O=C(NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1CCCO1 ZINC001571121697 952522138 /nfs/dbraw/zinc/52/21/38/952522138.db2.gz BQVJMVUYPPHNBG-CQSZACIVSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123080 952527470 /nfs/dbraw/zinc/52/74/70/952527470.db2.gz NWDAOHYVYFRAHA-YRGRVCCFSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571123080 952527474 /nfs/dbraw/zinc/52/74/74/952527474.db2.gz NWDAOHYVYFRAHA-YRGRVCCFSA-N 0 1 376.486 1.291 20 0 GDADMN CC1(C)CN(C(=O)[C@@H]2CCC2(F)F)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571124547 952539698 /nfs/dbraw/zinc/53/96/98/952539698.db2.gz MINQVMSIXKQINN-AAEUAGOBSA-N 0 1 377.399 1.378 20 0 GDADMN CC(F)(F)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575212934 952556524 /nfs/dbraw/zinc/55/65/24/952556524.db2.gz ORUPZJZPEDYOSO-OAHLLOKOSA-N 0 1 386.428 1.027 20 0 GDADMN CC(F)(F)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575212934 952556527 /nfs/dbraw/zinc/55/65/27/952556527.db2.gz ORUPZJZPEDYOSO-OAHLLOKOSA-N 0 1 386.428 1.027 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575214132 952562482 /nfs/dbraw/zinc/56/24/82/952562482.db2.gz ISROSMLSDVFLGH-VWYCJHECSA-N 0 1 392.414 1.564 20 0 GDADMN Cc1cc(N2CCC(C)(NC(=O)c3ccccn3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134184 952587730 /nfs/dbraw/zinc/58/77/30/952587730.db2.gz BSNGGUKVTIAHOB-UHFFFAOYSA-N 0 1 378.440 1.754 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cc(C)c(C)cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134461 952590485 /nfs/dbraw/zinc/59/04/85/952590485.db2.gz IKEGAFZQKUXVFR-CQSZACIVSA-N 0 1 378.440 1.330 20 0 GDADMN CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571134955 952597440 /nfs/dbraw/zinc/59/74/40/952597440.db2.gz NXXMHJBSYLDXKI-UKRRQHHQSA-N 0 1 378.440 1.431 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)Cc3cccnc3)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134982 952598510 /nfs/dbraw/zinc/59/85/10/952598510.db2.gz PMCSCOZSRJEHFX-CZUORRHYSA-N 0 1 378.440 1.031 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)Cc3cccnc3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134978 952598752 /nfs/dbraw/zinc/59/87/52/952598752.db2.gz PMCSCOZSRJEHFX-BBRMVZONSA-N 0 1 378.440 1.031 20 0 GDADMN Cc1cnc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)c(C)c1 ZINC001571135139 952600919 /nfs/dbraw/zinc/60/09/19/952600919.db2.gz SEVTUWMOHLQOSP-BBRMVZONSA-N 0 1 378.440 1.268 20 0 GDADMN CN(C(=O)c1ncccc1[O-])C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571141799 952636991 /nfs/dbraw/zinc/63/69/91/952636991.db2.gz MTAKXVUGNWSWOW-UHFFFAOYSA-N 0 1 379.424 1.360 20 0 GDADMN O=C(c1c[nH]cc1C1CC1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571142274 952639998 /nfs/dbraw/zinc/63/99/98/952639998.db2.gz NYQGZADBHMWOGP-CYBMUJFWSA-N 0 1 378.440 1.606 20 0 GDADMN O=C(c1ncc[nH]1)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571142347 952640821 /nfs/dbraw/zinc/64/08/21/952640821.db2.gz PULOMPHHACFISF-CVEARBPZSA-N 0 1 378.440 1.326 20 0 GDADMN CC[C@H](SC)C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571142527 952643287 /nfs/dbraw/zinc/64/32/87/952643287.db2.gz UBQITJJTYXRTGR-HIFRSBDPSA-N 0 1 378.477 1.838 20 0 GDADMN Cc1c[nH]cc1C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571146711 952652395 /nfs/dbraw/zinc/65/23/95/952652395.db2.gz AUUMALGXRHGDSU-UGSOOPFHSA-N 0 1 379.428 1.225 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571147158 952657982 /nfs/dbraw/zinc/65/79/82/952657982.db2.gz HUNOLIYGRYQRRF-UONOGXRCSA-N 0 1 379.428 1.177 20 0 GDADMN O=C(NC[C@H]1CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CC1(F)F ZINC001571153956 952688337 /nfs/dbraw/zinc/68/83/37/952688337.db2.gz WYRULJGQHNHVIH-DGCLKSJQSA-N 0 1 380.374 1.742 20 0 GDADMN O=C(N[C@@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccoc1 ZINC001571154191 952689709 /nfs/dbraw/zinc/68/97/09/952689709.db2.gz ZJOWSYFOWFJAQP-SECBINFHSA-N 0 1 379.833 1.968 20 0 GDADMN O=C(c1ccon1)N1C[C@@H]2CCC[C@]2(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571160872 952728716 /nfs/dbraw/zinc/72/87/16/952728716.db2.gz NUXJUERTOCATTP-SGTLLEGYSA-N 0 1 380.412 1.026 20 0 GDADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000383339941 971864337 /nfs/dbraw/zinc/86/43/37/971864337.db2.gz QLHBLPOOSPPMPQ-AWEZNQCLSA-N 0 1 378.454 1.251 20 0 GDADMN CCn1nccc1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169338 952772170 /nfs/dbraw/zinc/77/21/70/952772170.db2.gz ABKITKUUQDONRY-INIZCTEOSA-N 0 1 380.456 1.478 20 0 GDADMN Cc1cc(CCC(=O)N2CC[C@@H](N(C)c3cccc(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001571169361 952772859 /nfs/dbraw/zinc/77/28/59/952772859.db2.gz ASGJVHBFSOPJOY-QGZVFWFLSA-N 0 1 380.456 1.568 20 0 GDADMN CCn1cccc1C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571169582 952775896 /nfs/dbraw/zinc/77/58/96/952775896.db2.gz HBJXWCZQNGIGBV-LJQANCHMSA-N 0 1 380.456 1.469 20 0 GDADMN Cc1cccnc1CN1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 ZINC001571169765 952778710 /nfs/dbraw/zinc/77/87/10/952778710.db2.gz MHYCQGLJYVFZGS-INIZCTEOSA-N 0 1 380.456 1.539 20 0 GDADMN Cc1ccncc1CN(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571170849 952789546 /nfs/dbraw/zinc/78/95/46/952789546.db2.gz XSZPCVCXBGTCHM-MRXNPFEDSA-N 0 1 380.456 1.635 20 0 GDADMN CCn1nccc1C(=O)N(C)[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571170933 952791044 /nfs/dbraw/zinc/79/10/44/952791044.db2.gz ZWRJLIYBJFYNAB-INIZCTEOSA-N 0 1 380.456 1.430 20 0 GDADMN O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172271 952803656 /nfs/dbraw/zinc/80/36/56/952803656.db2.gz RLSFYUDUFSJKLV-ZOBORPQBSA-N 0 1 380.456 1.178 20 0 GDADMN C[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cnco1 ZINC001571172311 952806014 /nfs/dbraw/zinc/80/60/14/952806014.db2.gz SMGAYVSEWCHTHE-BQBZGAKWSA-N 0 1 380.821 1.680 20 0 GDADMN CS[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001571172871 952809712 /nfs/dbraw/zinc/80/97/12/952809712.db2.gz ZXVBOIAICSJNJK-GRYCIOLGSA-N 0 1 380.543 1.864 20 0 GDADMN CS[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001571172871 952809716 /nfs/dbraw/zinc/80/97/16/952809716.db2.gz ZXVBOIAICSJNJK-GRYCIOLGSA-N 0 1 380.543 1.864 20 0 GDADMN Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571179217 952850684 /nfs/dbraw/zinc/85/06/84/952850684.db2.gz ACNFPWSCRXGOAQ-PIGZYNQJSA-N 0 1 381.440 1.395 20 0 GDADMN Cc1ocnc1C(=O)N[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001571179266 952851778 /nfs/dbraw/zinc/85/17/78/952851778.db2.gz AVPJWILGMSYNLM-HNNXBMFYSA-N 0 1 381.440 1.804 20 0 GDADMN CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571180479 952860496 /nfs/dbraw/zinc/86/04/96/952860496.db2.gz PFHVRXVLLIKPIQ-MLGOLLRUSA-N 0 1 381.444 1.034 20 0 GDADMN COc1cccc([C@H](C)N2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571182653 952867259 /nfs/dbraw/zinc/86/72/59/952867259.db2.gz AJAFQYHASDPECU-SWLSCSKDSA-N 0 1 381.440 1.769 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC2(C1)CCN(Cc1ccccc1F)C2 ZINC001571183002 952871543 /nfs/dbraw/zinc/87/15/43/952871543.db2.gz LVFZKTDBKXXCOL-UHFFFAOYSA-N 0 1 381.415 1.682 20 0 GDADMN C[C@@H](NCC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1)c1ncccn1 ZINC001571183980 952886164 /nfs/dbraw/zinc/88/61/64/952886164.db2.gz OBTXJMFWIAJKBO-GFCCVEGCSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC001571184048 952886758 /nfs/dbraw/zinc/88/67/58/952886758.db2.gz PDBLZOUPDKHVHU-DOMZBBRYSA-N 0 1 381.444 1.409 20 0 GDADMN C[C@@H]1CN(C(=O)CCc2cnc[nH]2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001571184216 952889501 /nfs/dbraw/zinc/88/95/01/952889501.db2.gz UCVORXJRAWLYJC-DOMZBBRYSA-N 0 1 381.444 1.267 20 0 GDADMN Cc1c(C(=O)N(C)C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)ccn1C ZINC001571185712 952903592 /nfs/dbraw/zinc/90/35/92/952903592.db2.gz OTPBXMREFKVHFD-UHFFFAOYSA-N 0 1 381.444 1.045 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]1 ZINC001571187773 952910012 /nfs/dbraw/zinc/91/00/12/952910012.db2.gz BVZYVDABCUHSIT-CYBMUJFWSA-N 0 1 381.444 1.309 20 0 GDADMN Cc1ccc(C(=O)N2CCC(N(C)c3ccnc(-c4nn[nH]n4)n3)CC2)n1C ZINC001571188418 952914104 /nfs/dbraw/zinc/91/41/04/952914104.db2.gz KMWZHRPTOFTJFU-UHFFFAOYSA-N 0 1 381.444 1.045 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)c3ccnn3C)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188678 952918288 /nfs/dbraw/zinc/91/82/88/952918288.db2.gz MNJTYBHKPDPGHH-OCCSQVGLSA-N 0 1 381.444 1.091 20 0 GDADMN O=C(N[C@@H]1CCCC[C@@H]1CNCc1ncccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571189770 952934790 /nfs/dbraw/zinc/93/47/90/952934790.db2.gz UEGPHZLSSIJKQZ-TZMCWYRMSA-N 0 1 381.444 1.063 20 0 GDADMN Cc1cc(N2C[C@@H](CNC(=O)[C@@H]3CC34CCC4)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571191055 952944758 /nfs/dbraw/zinc/94/47/58/952944758.db2.gz NKMJYWZBOHOMLV-XPKDYRNWSA-N 0 1 381.484 1.949 20 0 GDADMN Cc1cc(N(C)[C@@H]2CCN(C(=O)c3cncc(F)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571195584 952977327 /nfs/dbraw/zinc/97/73/27/952977327.db2.gz CBKVOVPGBGWDKB-CQSZACIVSA-N 0 1 382.403 1.455 20 0 GDADMN CCc1ncoc1C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571199554 953001870 /nfs/dbraw/zinc/00/18/70/953001870.db2.gz UXVOSHQUAFIBMO-AWEZNQCLSA-N 0 1 382.428 1.197 20 0 GDADMN Cc1cnc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)CC[C@H]32)o1 ZINC001571201299 953016079 /nfs/dbraw/zinc/01/60/79/953016079.db2.gz JUBKJDNFOLCRKW-IUODEOHRSA-N 0 1 382.428 1.228 20 0 GDADMN Cc1oncc1CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571204983 953034928 /nfs/dbraw/zinc/03/49/28/953034928.db2.gz FCXZJWZIBAKGMS-KSSFIOAISA-N 0 1 382.428 1.276 20 0 GDADMN O=C(C[C@@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1nn[nH]n1 ZINC001571209758 953066791 /nfs/dbraw/zinc/06/67/91/953066791.db2.gz CVXACEDMVCXDKA-BHYGNILZSA-N 0 1 382.468 1.469 20 0 GDADMN C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212092 953083732 /nfs/dbraw/zinc/08/37/32/953083732.db2.gz IPSOWEQBIXPXNB-VQJWOFKYSA-N 0 1 382.472 1.164 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CC12CCC2)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571213640 953096540 /nfs/dbraw/zinc/09/65/40/953096540.db2.gz SMBKTWXLOJLEOZ-JSGCOSHPSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571214022 953098798 /nfs/dbraw/zinc/09/87/98/953098798.db2.gz VFYLAEJDXUQNMU-ZQDZILKHSA-N 0 1 382.472 1.663 20 0 GDADMN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571216882 953104769 /nfs/dbraw/zinc/10/47/69/953104769.db2.gz BMDSZPAFUXJXCE-TTZDDIAXSA-N 0 1 382.472 1.308 20 0 GDADMN COc1nc(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571219945 953128671 /nfs/dbraw/zinc/12/86/71/953128671.db2.gz UNPFFFPXHARWQS-CQSZACIVSA-N 0 1 383.412 1.258 20 0 GDADMN O=C(c1ccncc1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571234264 953200816 /nfs/dbraw/zinc/20/08/16/953200816.db2.gz REQRWHHASHKFJJ-CYBMUJFWSA-N 0 1 383.481 1.965 20 0 GDADMN O=C(c1ccncc1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571234264 953200818 /nfs/dbraw/zinc/20/08/18/953200818.db2.gz REQRWHHASHKFJJ-CYBMUJFWSA-N 0 1 383.481 1.965 20 0 GDADMN O=S(=O)(c1cccc(CNc2ccncc2-c2nn[nH]n2)c1)C(F)(F)F ZINC001571234524 953202908 /nfs/dbraw/zinc/20/29/08/953202908.db2.gz AOECLBBSKFLHEI-UHFFFAOYSA-N 0 1 384.343 1.589 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571238913 953233938 /nfs/dbraw/zinc/23/39/38/953233938.db2.gz CCCYZLAQPZMZEG-ABAIWWIYSA-N 0 1 384.419 1.512 20 0 GDADMN O=C(NC[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1cn[nH]c1 ZINC001571241795 953249495 /nfs/dbraw/zinc/24/94/95/953249495.db2.gz LXLCKBUYJLVQED-GFCCVEGCSA-N 0 1 384.419 1.371 20 0 GDADMN CCc1nocc1CNC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571243139 953263636 /nfs/dbraw/zinc/26/36/36/953263636.db2.gz WZLVKQBJVJERKQ-CQSZACIVSA-N 0 1 384.444 1.530 20 0 GDADMN Cc1ncc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)s1 ZINC001571244693 953266191 /nfs/dbraw/zinc/26/61/91/953266191.db2.gz FFAAYWVRJXZOSU-GFCCVEGCSA-N 0 1 384.469 1.686 20 0 GDADMN Cc1ncsc1C(=O)NC[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571244726 953266685 /nfs/dbraw/zinc/26/66/85/953266685.db2.gz GMTWQCTYBHCFFO-HAQNSBGRSA-N 0 1 384.469 1.377 20 0 GDADMN Cc1cc(NC[C@H]2CCCCN2C(=O)c2ccsn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245570 953274244 /nfs/dbraw/zinc/27/42/44/953274244.db2.gz VQSFTCGCSNFMFM-GFCCVEGCSA-N 0 1 384.469 1.555 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3cncs3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245642 953275113 /nfs/dbraw/zinc/27/51/13/953275113.db2.gz XYHGLVJVUJAZHB-GFCCVEGCSA-N 0 1 384.469 1.816 20 0 GDADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)c2ccsc2)CC1 ZINC001571246279 953282136 /nfs/dbraw/zinc/28/21/36/953282136.db2.gz XHZAEPGALQBPNK-NSHDSACASA-N 0 1 384.469 1.493 20 0 GDADMN Cc1nsc(C)c1C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571247608 953284667 /nfs/dbraw/zinc/28/46/67/953284667.db2.gz AXRFPNLLSPFIRN-UHFFFAOYSA-N 0 1 384.469 1.734 20 0 GDADMN CC1(C)CCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571249168 953301728 /nfs/dbraw/zinc/30/17/28/953301728.db2.gz FDVNQMVHYJVOBI-UONOGXRCSA-N 0 1 384.488 1.698 20 0 GDADMN CCC(CC)C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571250014 953308293 /nfs/dbraw/zinc/30/82/93/953308293.db2.gz NGUXWKVXXXCNJI-LJQANCHMSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571250271 953310011 /nfs/dbraw/zinc/31/00/11/953310011.db2.gz PVCZMUPXCZKNJF-CQSZACIVSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571250271 953310015 /nfs/dbraw/zinc/31/00/15/953310015.db2.gz PVCZMUPXCZKNJF-CQSZACIVSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)[C@H](C)C2)C1 ZINC001571250646 953312688 /nfs/dbraw/zinc/31/26/88/953312688.db2.gz RKZZCJFDFHGJMW-RBSFLKMASA-N 0 1 384.488 1.110 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)[C@H](C)C2)C1 ZINC001571250646 953312692 /nfs/dbraw/zinc/31/26/92/953312692.db2.gz RKZZCJFDFHGJMW-RBSFLKMASA-N 0 1 384.488 1.110 20 0 GDADMN Cc1cnc([C@H](C)NC[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571251203 953315537 /nfs/dbraw/zinc/31/55/37/953315537.db2.gz SGKXJBNWUGYIAT-STQMWFEESA-N 0 1 384.444 1.694 20 0 GDADMN Cc1cnc([C@H](C)N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001571251694 953319050 /nfs/dbraw/zinc/31/90/50/953319050.db2.gz UHQYXEGYUGPFMW-RWMBFGLXSA-N 0 1 384.444 1.741 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@H](NC(=O)[C@H]3CCCN3C)CC2)n1 ZINC001571251952 953321442 /nfs/dbraw/zinc/32/14/42/953321442.db2.gz CLLOUOFKMIRCBE-GOEBONIOSA-N 0 1 384.488 1.139 20 0 GDADMN Cc1nc(NCC2CC(NC(=O)[C@H]3CCCCN3C)C2)ccc1-c1nn[nH]n1 ZINC001571251960 953322115 /nfs/dbraw/zinc/32/21/15/953322115.db2.gz CUBASYOUHVBNPH-ZBCRRDGASA-N 0 1 384.488 1.361 20 0 GDADMN Cc1nc(N2CC[C@@H](N(C)C(=O)[C@H]3CCCCN3C)C2)ccc1-c1nn[nH]n1 ZINC001571252864 953334041 /nfs/dbraw/zinc/33/40/41/953334041.db2.gz XMINUDZKMALTTA-GDBMZVCRSA-N 0 1 384.488 1.092 20 0 GDADMN O=C(c1cc(F)cc(F)c1)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571255920 953357122 /nfs/dbraw/zinc/35/71/22/953357122.db2.gz RNCSBVYCAIDNNO-UHFFFAOYSA-N 0 1 385.378 1.679 20 0 GDADMN CC(C)C[C@@H](CNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000424397598 953461910 /nfs/dbraw/zinc/46/19/10/953461910.db2.gz SJCVRQCHBLTIHT-INIZCTEOSA-N 0 1 394.491 1.994 20 0 GDADMN CCC(CC)(CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)[O-] ZINC000424443168 953485838 /nfs/dbraw/zinc/48/58/38/953485838.db2.gz APHWKJPJMBGWFH-QGZVFWFLSA-N 0 1 377.485 1.943 20 0 GDADMN C[C@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000530205463 953557116 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ZINC000821943203 606681014 /nfs/dbraw/zinc/68/10/14/606681014.db2.gz UJJYYFQUSTWBFN-UHFFFAOYSA-N 0 1 385.377 1.862 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cccc(Br)c1 ZINC000821601518 606701205 /nfs/dbraw/zinc/70/12/05/606701205.db2.gz LNKSGNOTBGBVGZ-UHFFFAOYSA-N 0 1 391.277 1.999 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cccc(Br)c1 ZINC000821601518 606701206 /nfs/dbraw/zinc/70/12/06/606701206.db2.gz LNKSGNOTBGBVGZ-UHFFFAOYSA-N 0 1 391.277 1.999 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cccc(Br)c1 ZINC000821601518 606701207 /nfs/dbraw/zinc/70/12/07/606701207.db2.gz LNKSGNOTBGBVGZ-UHFFFAOYSA-N 0 1 391.277 1.999 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cccc(Br)c1 ZINC000821601518 606701208 /nfs/dbraw/zinc/70/12/08/606701208.db2.gz LNKSGNOTBGBVGZ-UHFFFAOYSA-N 0 1 391.277 1.999 20 0 GDADMN O=S(=O)(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573577 606740020 /nfs/dbraw/zinc/74/00/20/606740020.db2.gz XCXIAFSWVWDGEG-ZWKOPEQDSA-N 0 1 385.396 1.381 20 0 GDADMN CC[C@@H]1CC[C@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820972966 606775294 /nfs/dbraw/zinc/77/52/94/606775294.db2.gz SHPZMADWFLEDTL-QZTJIDSGSA-N 0 1 384.484 1.859 20 0 GDADMN CCOc1ccccc1[C@H](CC)NC(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000821431397 606824941 /nfs/dbraw/zinc/82/49/41/606824941.db2.gz SQOUAIGVNQJSMV-HNNXBMFYSA-N 0 1 382.424 1.695 20 0 GDADMN CO[C@@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC000821677198 606894438 /nfs/dbraw/zinc/89/44/38/606894438.db2.gz QWTVLALZIHDCEB-NSHDSACASA-N 0 1 375.401 1.484 20 0 GDADMN O=S(=O)(N[C@@H]1CCCc2[nH]ccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572256 606896060 /nfs/dbraw/zinc/89/60/60/606896060.db2.gz FPPIFOOMAQSKAR-CYBMUJFWSA-N 0 1 380.380 1.829 20 0 GDADMN O=C1CN(CN2CCC3(CCC3)C2)C(=O)N1Cc1ccccc1-c1nn[nH]n1 ZINC000823535747 606921475 /nfs/dbraw/zinc/92/14/75/606921475.db2.gz GOMCMYVNJCSGPG-UHFFFAOYSA-N 0 1 381.440 1.464 20 0 GDADMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820563055 606967295 /nfs/dbraw/zinc/96/72/95/606967295.db2.gz MPKFTKPKNSVVCO-NSHDSACASA-N 0 1 390.444 1.846 20 0 GDADMN CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(F)ccc1-c1nn[nH]n1 ZINC000821936484 607075264 /nfs/dbraw/zinc/07/52/64/607075264.db2.gz AZACXJZWNDOKBF-UHFFFAOYSA-N 0 1 391.384 1.734 20 0 GDADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000820093364 607199587 /nfs/dbraw/zinc/19/95/87/607199587.db2.gz WPUFJCDVLUIJKW-ZDUSSCGKSA-N 0 1 393.879 1.998 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000823136410 607206524 /nfs/dbraw/zinc/20/65/24/607206524.db2.gz ZHHAZJMTEYADMK-UHFFFAOYSA-N 0 1 395.408 1.411 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000823131441 607206665 /nfs/dbraw/zinc/20/66/65/607206665.db2.gz HLNPYZKWQDXDHY-UHFFFAOYSA-N 0 1 386.269 1.177 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Sc2nncs2)cc1 ZINC000823136243 607209350 /nfs/dbraw/zinc/20/93/50/607209350.db2.gz QHQHCLQJVAGFAR-UHFFFAOYSA-N 0 1 386.426 1.100 20 0 GDADMN COc1ccc(C2(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)CCCCC2)cc1 ZINC000821782735 607210773 /nfs/dbraw/zinc/21/07/73/607210773.db2.gz MFBMPHCGLGVQGV-UHFFFAOYSA-N 0 1 396.455 1.485 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000823126381 607218010 /nfs/dbraw/zinc/21/80/10/607218010.db2.gz JSOULJPQAUYZPC-GFCCVEGCSA-N 0 1 390.860 1.428 20 0 GDADMN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)n1 ZINC000822197963 607219546 /nfs/dbraw/zinc/21/95/46/607219546.db2.gz WOCOOTDJIJVDDQ-CYBMUJFWSA-N 0 1 392.427 1.138 20 0 GDADMN Cc1c(COc2ccccc2)cccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822034614 607221306 /nfs/dbraw/zinc/22/13/06/607221306.db2.gz IQVDDCHPJGVJJB-UHFFFAOYSA-N 0 1 390.407 1.984 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000823126300 607222467 /nfs/dbraw/zinc/22/24/67/607222467.db2.gz HIFBYNOWIFTMDW-UHFFFAOYSA-N 0 1 379.211 1.350 20 0 GDADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OCCC(C)C)c1 ZINC000822237528 607223141 /nfs/dbraw/zinc/22/31/41/607223141.db2.gz XYKTVJFXSIVMAB-UHFFFAOYSA-N 0 1 384.444 1.508 20 0 GDADMN CC(C)(C)c1ccc(C(C)(C)CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000824136038 607910136 /nfs/dbraw/zinc/91/01/36/607910136.db2.gz MMUKUEVYSLQGEQ-UHFFFAOYSA-N 0 1 382.472 1.850 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2ccncc2)c1-c1nnn[n-]1 ZINC000826077835 608020576 /nfs/dbraw/zinc/02/05/76/608020576.db2.gz XGUUPAAUHIHDBH-UHFFFAOYSA-N 0 1 387.473 1.009 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2ccncc2)c1-c1nn[n-]n1 ZINC000826077835 608020577 /nfs/dbraw/zinc/02/05/77/608020577.db2.gz XGUUPAAUHIHDBH-UHFFFAOYSA-N 0 1 387.473 1.009 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC2CCCCCC2)c1-c1nnn[n-]1 ZINC000826073402 608021276 /nfs/dbraw/zinc/02/12/76/608021276.db2.gz QTDAGMBGGBQADB-GFCCVEGCSA-N 0 1 390.492 1.808 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC2CCCCCC2)c1-c1nn[n-]n1 ZINC000826073402 608021277 /nfs/dbraw/zinc/02/12/77/608021277.db2.gz QTDAGMBGGBQADB-GFCCVEGCSA-N 0 1 390.492 1.808 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC000826077736 608021449 /nfs/dbraw/zinc/02/14/49/608021449.db2.gz SMYLFXCNQMSOAU-GFCCVEGCSA-N 0 1 396.455 1.637 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000826077736 608021450 /nfs/dbraw/zinc/02/14/50/608021450.db2.gz SMYLFXCNQMSOAU-GFCCVEGCSA-N 0 1 396.455 1.637 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2scnc2C(C)(C)C)c1-c1nnn[n-]1 ZINC000826082797 608021511 /nfs/dbraw/zinc/02/15/11/608021511.db2.gz BBLDDZCBSPLRQP-UHFFFAOYSA-N 0 1 389.489 1.748 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2scnc2C(C)(C)C)c1-c1nn[n-]n1 ZINC000826082797 608021512 /nfs/dbraw/zinc/02/15/12/608021512.db2.gz BBLDDZCBSPLRQP-UHFFFAOYSA-N 0 1 389.489 1.748 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2OCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077399 608022043 /nfs/dbraw/zinc/02/20/43/608022043.db2.gz HCVGBMJEZHRTOT-HNNXBMFYSA-N 0 1 396.455 1.384 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2OCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077399 608022044 /nfs/dbraw/zinc/02/20/44/608022044.db2.gz HCVGBMJEZHRTOT-HNNXBMFYSA-N 0 1 396.455 1.384 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2ccccc2C)c1-c1nnn[n-]1 ZINC000826077502 608022273 /nfs/dbraw/zinc/02/22/73/608022273.db2.gz KHSFXDUBKXAJRT-UHFFFAOYSA-N 0 1 398.471 1.848 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2ccccc2C)c1-c1nn[n-]n1 ZINC000826077502 608022274 /nfs/dbraw/zinc/02/22/74/608022274.db2.gz KHSFXDUBKXAJRT-UHFFFAOYSA-N 0 1 398.471 1.848 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1cccc(Cl)c1 ZINC000825935081 608037131 /nfs/dbraw/zinc/03/71/31/608037131.db2.gz UMNKLVIYHBJRCL-ZDUSSCGKSA-N 0 1 376.852 1.423 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1cccc(Cl)c1 ZINC000825935081 608037132 /nfs/dbraw/zinc/03/71/32/608037132.db2.gz UMNKLVIYHBJRCL-ZDUSSCGKSA-N 0 1 376.852 1.423 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1cccc(Cl)c1 ZINC000825935081 608037133 /nfs/dbraw/zinc/03/71/33/608037133.db2.gz UMNKLVIYHBJRCL-ZDUSSCGKSA-N 0 1 376.852 1.423 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1cccc(Cl)c1 ZINC000825935081 608037134 /nfs/dbraw/zinc/03/71/34/608037134.db2.gz UMNKLVIYHBJRCL-ZDUSSCGKSA-N 0 1 376.852 1.423 20 0 GDADMN O=C(CCN1CCOC[C@H]1C1CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407265 608045879 /nfs/dbraw/zinc/04/58/79/608045879.db2.gz HGIAFBPSANBDPR-HNNXBMFYSA-N 0 1 376.848 1.960 20 0 GDADMN Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1C(=O)OC(C)(C)C ZINC000826269990 608072882 /nfs/dbraw/zinc/07/28/82/608072882.db2.gz GJUKEAXVUKNSSA-UHFFFAOYSA-N 0 1 384.400 1.361 20 0 GDADMN O=C(CNc1ccc(-c2nn[nH]n2)cn1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000826413520 608216313 /nfs/dbraw/zinc/21/63/13/608216313.db2.gz IRXFWDKRWPFAKW-HNNXBMFYSA-N 0 1 396.455 1.610 20 0 GDADMN CC(C)(CCCO)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824152529 608250575 /nfs/dbraw/zinc/25/05/75/608250575.db2.gz GLMYVEHEYIIPDP-UHFFFAOYSA-N 0 1 375.401 1.222 20 0 GDADMN O[C@@H](CN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)c1ccc(Cl)cc1 ZINC000826510786 608259614 /nfs/dbraw/zinc/25/96/14/608259614.db2.gz KNBRPLLYPVFXJH-INIZCTEOSA-N 0 1 385.859 1.771 20 0 GDADMN CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1-c1nn[nH]n1 ZINC000826231302 608276935 /nfs/dbraw/zinc/27/69/35/608276935.db2.gz GCSMKQUODHDAAT-JTQLQIEISA-N 0 1 396.480 1.871 20 0 GDADMN CNC(=O)c1cc(Oc2cccc(Oc3nccnc3-c3nn[nH]n3)c2)ccn1 ZINC000826068354 608306410 /nfs/dbraw/zinc/30/64/10/608306410.db2.gz RKCNYJAJNNAHJS-UHFFFAOYSA-N 0 1 390.363 1.996 20 0 GDADMN CCC[C@H]1CN(C(=O)COc2ccccc2-c2nn[nH]n2)CCN1CCOC ZINC000825252175 608313207 /nfs/dbraw/zinc/31/32/07/608313207.db2.gz HCUKWEFRJALGKB-HNNXBMFYSA-N 0 1 388.472 1.205 20 0 GDADMN COC(=O)[C@@H]1C[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000826132637 608313761 /nfs/dbraw/zinc/31/37/61/608313761.db2.gz FOSBRVQXMYTTON-SWLSCSKDSA-N 0 1 381.440 1.602 20 0 GDADMN COC(=O)[C@@H]1C[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000826132637 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O=S(=O)(C[C@H]1CNCCO1)NC1(c2cccc(Br)c2)CCC1 ZINC000631913639 653268398 /nfs/dbraw/zinc/26/83/98/653268398.db2.gz GSGSWGAYEKJOKN-CQSZACIVSA-N 0 1 389.315 1.736 20 0 GDADMN C[C@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)C[C@H]1CNCCO1 ZINC000631915896 653269317 /nfs/dbraw/zinc/26/93/17/653269317.db2.gz PQULEJHCBGFLCJ-VXGBXAGGSA-N 0 1 382.404 1.381 20 0 GDADMN COc1ccc(-c2csc(CNS(=O)(=O)C[C@@H]3CNCCO3)c2)cc1 ZINC000631925357 653272072 /nfs/dbraw/zinc/27/20/72/653272072.db2.gz TWSSIBKUUSKORK-INIZCTEOSA-N 0 1 382.507 1.832 20 0 GDADMN Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)C[C@H]2CNCCO2)C3)cs1 ZINC000631929198 653273288 /nfs/dbraw/zinc/27/32/88/653273288.db2.gz YQJHPNVSJCNNIL-CYBMUJFWSA-N 0 1 399.563 1.856 20 0 GDADMN CCO[C@@H](CCNS(=O)(=O)CCCN1CCN(C)CC1)C1CCCC1 ZINC000632062440 653298511 /nfs/dbraw/zinc/29/85/11/653298511.db2.gz XWVVLABEFUJUSQ-SFHVURJKSA-N 0 1 375.579 1.529 20 0 GDADMN CC1(C)[C@@H](NS(=O)(=O)c2c(F)cc(F)cc2F)C[C@@H]1N1CCOCC1 ZINC000632502617 653366280 /nfs/dbraw/zinc/36/62/80/653366280.db2.gz 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CN(CCCNCc1nc2cc(Br)ccc2o1)S(C)(=O)=O ZINC000638359328 653538864 /nfs/dbraw/zinc/53/88/64/653538864.db2.gz JWATZYAQCCQPAZ-UHFFFAOYSA-N 0 1 376.276 1.961 20 0 GDADMN CC[C@H](NCc1cnn2cc(Br)cnc12)C(=O)N1CCOCC1 ZINC000638722283 653542564 /nfs/dbraw/zinc/54/25/64/653542564.db2.gz QEMJNPWWYYSDTL-ZDUSSCGKSA-N 0 1 382.262 1.219 20 0 GDADMN CN(CC1CC1)C(=O)Cn1cc([C@H](N)c2ccc(Br)cc2)nn1 ZINC000640983545 653561783 /nfs/dbraw/zinc/56/17/83/653561783.db2.gz WEILLUBLGXOPIT-MRXNPFEDSA-N 0 1 378.274 1.957 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)C[C@@H]3COCCN3)C2=O)ccc1Br ZINC000644153459 653596049 /nfs/dbraw/zinc/59/60/49/653596049.db2.gz BFQYILSLQJVDLM-DOMZBBRYSA-N 0 1 396.285 1.358 20 0 GDADMN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1Cl ZINC000644300272 653597414 /nfs/dbraw/zinc/59/74/14/653597414.db2.gz MPTJRYIXRVUPGA-IINYFYTJSA-N 0 1 375.853 1.762 20 0 GDADMN CC(C)[C@@H](CNS(=O)(=O)CCCC1CCOCC1)N1CCN(C)CC1 ZINC000645564326 653604176 /nfs/dbraw/zinc/60/41/76/653604176.db2.gz 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ZINC000649003859 653662071 /nfs/dbraw/zinc/66/20/71/653662071.db2.gz NDGVGGPYJKFVTN-LBPRGKRZSA-N 0 1 375.441 1.186 20 0 GDADMN COc1cc(CNC(=O)[C@H](C)CN2CCOCC2)c(Br)cc1O ZINC000649195345 653664296 /nfs/dbraw/zinc/66/42/96/653664296.db2.gz GNUVNOHHSHSMNF-LLVKDONJSA-N 0 1 387.274 1.748 20 0 GDADMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)n1 ZINC000650457190 653695687 /nfs/dbraw/zinc/69/56/87/653695687.db2.gz GQJVYINMXKPHGO-UHFFFAOYSA-N 0 1 379.463 1.892 20 0 GDADMN CN(C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)N1CCCOCC1 ZINC000651536633 653830284 /nfs/dbraw/zinc/83/02/84/653830284.db2.gz BURZVHCJCZZOGZ-UHFFFAOYSA-N 0 1 377.457 1.296 20 0 GDADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)c1cccc(C(F)(F)F)c1 ZINC000651753979 653853996 /nfs/dbraw/zinc/85/39/96/653853996.db2.gz OIFSDZLIKOYFGL-STQMWFEESA-N 0 1 379.404 1.116 20 0 GDADMN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCN1CCCCC1 ZINC000651926005 653871874 /nfs/dbraw/zinc/87/18/74/653871874.db2.gz BTDFBBRCBCIORU-UHFFFAOYSA-N 0 1 389.543 1.091 20 0 GDADMN COc1cc(C(=O)N2CCCC(F)(F)C2)cc(NS(C)(=O)=O)c1OC ZINC000652745204 653898026 /nfs/dbraw/zinc/89/80/26/653898026.db2.gz LBCFUWKUAUJHKR-UHFFFAOYSA-N 0 1 378.397 1.947 20 0 GDADMN C[C@@H](CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)NC(N)=O ZINC000654697445 653943490 /nfs/dbraw/zinc/94/34/90/653943490.db2.gz QCEGGTKGZCULFX-QMMMGPOBSA-N 0 1 381.234 1.297 20 0 GDADMN C[C@@H](CC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)NC(N)=O ZINC000654697445 653943493 /nfs/dbraw/zinc/94/34/93/653943493.db2.gz QCEGGTKGZCULFX-QMMMGPOBSA-N 0 1 381.234 1.297 20 0 GDADMN C[C@@H]1CCN(CC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)C1 ZINC000654974546 653953177 /nfs/dbraw/zinc/95/31/77/653953177.db2.gz HVZKGCPAYPLTGN-MLGOLLRUSA-N 0 1 380.286 1.790 20 0 GDADMN O=S(=O)(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc(C(F)(F)F)nc1 ZINC000655630419 653981835 /nfs/dbraw/zinc/98/18/35/653981835.db2.gz KFZRPMBFLFXNLJ-VIFPVBQESA-N 0 1 377.348 1.549 20 0 GDADMN C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CC1 ZINC000656062395 654001178 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C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736202574 944759718 /nfs/dbraw/zinc/75/97/18/944759718.db2.gz JSQIGKLIGBPUHI-LLVKDONJSA-N 0 1 390.444 1.846 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCCN1C(=O)c1cncs1 ZINC001571261829 945431029 /nfs/dbraw/zinc/43/10/29/945431029.db2.gz JTLOTMGEHXCPBO-MNOVXSKESA-N 0 1 385.457 1.030 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001571262135 945434612 /nfs/dbraw/zinc/43/46/12/945434612.db2.gz NMBRRANONASNBK-ZWNOBZJWSA-N 0 1 385.453 1.279 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)c1ccc(=O)[nH]c1 ZINC001571262135 945434617 /nfs/dbraw/zinc/43/46/17/945434617.db2.gz NMBRRANONASNBK-ZWNOBZJWSA-N 0 1 385.453 1.279 20 0 GDADMN CC1(C)CC[C@@H](CC(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)OC1 ZINC001571263093 945449505 /nfs/dbraw/zinc/44/95/05/945449505.db2.gz HEHUROTZXSYSFT-IHRRRGAJSA-N 0 1 385.472 1.338 20 0 GDADMN Cc1nc(C)c(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)s1 ZINC001571263329 945455629 /nfs/dbraw/zinc/45/56/29/945455629.db2.gz NAVMJLIGCJOIBM-UHFFFAOYSA-N 0 1 385.457 1.083 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H](CCNc3ccncc3-c3nn[nH]n3)C2)CCOC1 ZINC001571263463 945459941 /nfs/dbraw/zinc/45/99/41/945459941.db2.gz QXRWYXRMQRDZIY-KUHUBIRLSA-N 0 1 385.472 1.151 20 0 GDADMN CC(=O)N1CCC([C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)CCO2)CC1 ZINC001571263563 945462123 /nfs/dbraw/zinc/46/21/23/945462123.db2.gz UALUJLXDELOOJU-MAUKXSAKSA-N 0 1 385.472 1.210 20 0 GDADMN CCC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571264549 945486124 /nfs/dbraw/zinc/48/61/24/945486124.db2.gz QZAJOBJIWJVCCN-RBSFLKMASA-N 0 1 385.472 1.149 20 0 GDADMN CO[C@@H](C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001571264892 945495380 /nfs/dbraw/zinc/49/53/80/945495380.db2.gz ZUBBKQJJNKSJCM-RHSMWYFYSA-N 0 1 385.472 1.292 20 0 GDADMN Cc1cc(NC[C@@H]2CCCN2C(=O)C[C@@H]2CCCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571265715 945517707 /nfs/dbraw/zinc/51/77/07/945517707.db2.gz IXNCHMDXGXHFLJ-GJZGRUSLSA-N 0 1 385.472 1.212 20 0 GDADMN O=C([C@@H]1CCCCO1)N1CCC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571266360 945539023 /nfs/dbraw/zinc/53/90/23/945539023.db2.gz PEBRBNRBORZEFS-PBHICJAKSA-N 0 1 385.472 1.293 20 0 GDADMN O=C(CC1CCOCC1)N[C@@H]1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571266519 945545332 /nfs/dbraw/zinc/54/53/32/945545332.db2.gz SULQOHJAWNSGBX-GOEBONIOSA-N 0 1 385.472 1.197 20 0 GDADMN CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571267057 945561663 /nfs/dbraw/zinc/56/16/63/945561663.db2.gz IBLYNHUPQLFKGE-LLVKDONJSA-N 0 1 386.366 1.286 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001571267048 945561960 /nfs/dbraw/zinc/56/19/60/945561960.db2.gz HSTJXUKAOFQSLP-TVQRCGJNSA-N 0 1 386.366 1.072 20 0 GDADMN CCN(CC(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1)C(=O)OC(C)(C)C ZINC001571268611 945600144 /nfs/dbraw/zinc/60/01/44/945600144.db2.gz USEQFOWQBSBNLC-UHFFFAOYSA-N 0 1 386.416 1.939 20 0 GDADMN CC[C@@H]1CN(C(=O)N[C@H](C)c2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000820989533 945606003 /nfs/dbraw/zinc/60/60/03/945606003.db2.gz VREBIAGMLREPTL-RHSMWYFYSA-N 0 1 387.488 1.680 20 0 GDADMN C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CN1CCc1ccns1 ZINC001571271400 945644699 /nfs/dbraw/zinc/64/46/99/945644699.db2.gz BKPCATIIRLELMW-YPMHNXCESA-N 0 1 386.485 1.477 20 0 GDADMN Cc1cc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)sn1 ZINC001571271792 945650861 /nfs/dbraw/zinc/65/08/61/945650861.db2.gz JSVBNLFPFGCPTR-RYUDHWBXSA-N 0 1 386.485 1.743 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n(C)n1 ZINC001571272274 945658957 /nfs/dbraw/zinc/65/89/57/945658957.db2.gz QMSBDFFJHYKKOY-GFCCVEGCSA-N 0 1 386.485 1.365 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n(C)n1 ZINC001571272274 945658961 /nfs/dbraw/zinc/65/89/61/945658961.db2.gz QMSBDFFJHYKKOY-GFCCVEGCSA-N 0 1 386.485 1.365 20 0 GDADMN O=C(NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccc(Cl)[nH]1 ZINC001571274586 945696683 /nfs/dbraw/zinc/69/66/83/945696683.db2.gz IEEAUXPFKFUSCA-WDEREUQCSA-N 0 1 386.847 1.676 20 0 GDADMN C[C@@H](NCc1nncs1)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571280969 945794985 /nfs/dbraw/zinc/79/49/85/945794985.db2.gz AUUCTOXUDLOXEN-SNVBAGLBSA-N 0 1 387.473 1.077 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@H](C)C2CN(Cc3ccc(-c4nn[nH]n4)s3)C2)o1 ZINC001571282104 945827508 /nfs/dbraw/zinc/82/75/08/945827508.db2.gz SWLJNMDKMLBXTJ-SECBINFHSA-N 0 1 387.469 1.783 20 0 GDADMN CCn1cc(Cl)cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571283548 945885989 /nfs/dbraw/zinc/88/59/89/945885989.db2.gz GFWGERKNCPTNFI-LLVKDONJSA-N 0 1 387.835 1.140 20 0 GDADMN CN(C(=O)C[C@@H]1CCOC1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288924 945995277 /nfs/dbraw/zinc/99/52/77/945995277.db2.gz UNCNMCCMQRYSMD-LSDHHAIUSA-N 0 1 388.447 1.465 20 0 GDADMN Cc1cc(NC[C@H]2CCN(C(=O)c3cc(Cl)no3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571290667 946051445 /nfs/dbraw/zinc/05/14/45/946051445.db2.gz LECODKVZNACEAW-SNVBAGLBSA-N 0 1 388.819 1.208 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H](NCc2cccc(F)c2Cl)C1 ZINC001571294889 946147152 /nfs/dbraw/zinc/14/71/52/946147152.db2.gz PGAIHSOTYZWUEP-LBPRGKRZSA-N 0 1 389.822 1.992 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCc2ccccc2C1 ZINC001571297853 946199644 /nfs/dbraw/zinc/19/96/44/946199644.db2.gz BHNPYBZQSDOGRC-HZPDHXFCSA-N 0 1 390.451 1.157 20 0 GDADMN O=C(NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)C1=COCCO1 ZINC001571298267 946211255 /nfs/dbraw/zinc/21/12/55/946211255.db2.gz MBHDWGGASSYWNG-UHFFFAOYSA-N 0 1 390.469 1.145 20 0 GDADMN O=C(NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1)C1=COCCO1 ZINC001571298267 946211266 /nfs/dbraw/zinc/21/12/66/946211266.db2.gz MBHDWGGASSYWNG-UHFFFAOYSA-N 0 1 390.469 1.145 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1csc(Cl)c1 ZINC001571298607 946222324 /nfs/dbraw/zinc/22/23/24/946222324.db2.gz BNNWPVVVNZPBFF-PSASIEDQSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCN1C1CCCC1 ZINC001571299373 946249416 /nfs/dbraw/zinc/24/94/16/946249416.db2.gz LSDTXRKKUGRBQD-AWEZNQCLSA-N 0 1 390.513 1.645 20 0 GDADMN C[C@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571299890 946264185 /nfs/dbraw/zinc/26/41/85/946264185.db2.gz QGDQUNQHXIQOMO-GZMMTYOYSA-N 0 1 390.860 1.366 20 0 GDADMN C[C@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300182 946275619 /nfs/dbraw/zinc/27/56/19/946275619.db2.gz WIYDPKDAGBWOCP-DOMZBBRYSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300182 946275632 /nfs/dbraw/zinc/27/56/32/946275632.db2.gz WIYDPKDAGBWOCP-DOMZBBRYSA-N 0 1 390.513 1.681 20 0 GDADMN O=C(Cc1ccc(Cl)s1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571300256 946277625 /nfs/dbraw/zinc/27/76/25/946277625.db2.gz XWXXFHKPPFNYTM-SECBINFHSA-N 0 1 390.860 1.309 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571302822 946314625 /nfs/dbraw/zinc/31/46/25/946314625.db2.gz GPPMCKFXPOFJLQ-HIFRSBDPSA-N 0 1 391.439 1.101 20 0 GDADMN O=C(CCc1cccnc1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571305503 946363621 /nfs/dbraw/zinc/36/36/21/946363621.db2.gz CPXNMQFMRDENBQ-UHFFFAOYSA-N 0 1 391.479 1.929 20 0 GDADMN Cc1nccc(C(=O)N2CC[C@@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)n1 ZINC001571306085 946388389 /nfs/dbraw/zinc/38/83/89/946388389.db2.gz PFPLVHBNCYFWCM-MRVPVSSYSA-N 0 1 391.848 1.402 20 0 GDADMN CN(c1nc(-c2nn[nH]n2)c(Cl)s1)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571306173 946390995 /nfs/dbraw/zinc/39/09/95/946390995.db2.gz QINDPRQLISSPEN-QMMMGPOBSA-N 0 1 391.848 1.118 20 0 GDADMN CN(c1nc(-c2nn[nH]n2)c(Cl)s1)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571306171 946392204 /nfs/dbraw/zinc/39/22/04/946392204.db2.gz QINDPRQLISSPEN-MRVPVSSYSA-N 0 1 391.848 1.118 20 0 GDADMN CCc1ccccc1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571313491 946523919 /nfs/dbraw/zinc/52/39/19/946523919.db2.gz QDDLITNPIGROFQ-CJNGLKHVSA-N 0 1 392.467 1.545 20 0 GDADMN C[C@H]1CN(C(=O)CCc2cccnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571314054 946540240 /nfs/dbraw/zinc/54/02/40/946540240.db2.gz ZGBHJFKHXUWTJC-GOEBONIOSA-N 0 1 392.467 1.218 20 0 GDADMN Cc1ccc(C)c(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571314904 946544240 /nfs/dbraw/zinc/54/42/40/946544240.db2.gz DDAXUVPWVMEFDP-HUUCEWRRSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cc(N[C@@H]2CCCN(C(=O)c3cc(C)c(C)cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315282 946550582 /nfs/dbraw/zinc/55/05/82/946550582.db2.gz IVDIGORRBWPFAO-OAHLLOKOSA-N 0 1 392.467 1.721 20 0 GDADMN Cc1cc(N[C@@H]2CCCN(C(=O)CCc3ccncc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315421 946552193 /nfs/dbraw/zinc/55/21/93/946552193.db2.gz KFHSVPQTBOVTAC-MRXNPFEDSA-N 0 1 392.467 1.423 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315854 946561589 /nfs/dbraw/zinc/56/15/89/946561589.db2.gz PTHUIILPEUIRMK-UGSOOPFHSA-N 0 1 392.467 1.279 20 0 GDADMN Cc1c(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)cnn1C ZINC001571316031 946563642 /nfs/dbraw/zinc/56/36/42/946563642.db2.gz SDMDFVCAMPLWRU-NNZMDNLPSA-N 0 1 392.467 1.016 20 0 GDADMN Cc1ccc(C)c(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1 ZINC001571316114 946566697 /nfs/dbraw/zinc/56/66/97/946566697.db2.gz UKJVSOVIPJANJE-HUUCEWRRSA-N 0 1 392.467 1.776 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)Cc3cccnc3C)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316166 946568736 /nfs/dbraw/zinc/56/87/36/946568736.db2.gz VJJMATJGJHPEHW-KPZWWZAWSA-N 0 1 392.467 1.197 20 0 GDADMN Cc1ccccc1CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316426 946577006 /nfs/dbraw/zinc/57/70/06/946577006.db2.gz CGMVNZCYYUZDRR-HNNXBMFYSA-N 0 1 392.467 1.280 20 0 GDADMN Cc1ncncc1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001571317015 946594737 /nfs/dbraw/zinc/59/47/37/946594737.db2.gz RYNMWAOOGKEHLW-KDOFPFPSSA-N 0 1 392.467 1.748 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cc2n(n1)CCCC2 ZINC001571317342 946606409 /nfs/dbraw/zinc/60/64/09/946606409.db2.gz DJXAMYPWESEADX-MRXNPFEDSA-N 0 1 392.467 1.404 20 0 GDADMN CC[C@@H](C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317515 946611825 /nfs/dbraw/zinc/61/18/25/946611825.db2.gz KSUPRWNQRQJRRG-STQMWFEESA-N 0 1 392.533 1.399 20 0 GDADMN CC[C@@H](C(=O)N1CC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317523 946614559 /nfs/dbraw/zinc/61/45/59/946614559.db2.gz LFEXWLMLVOPOMS-STQMWFEESA-N 0 1 392.533 1.622 20 0 GDADMN CC(C)c1nc([C@H](C)NC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824358923 946669379 /nfs/dbraw/zinc/66/93/79/946669379.db2.gz SCKZWVACKKPFDL-NSHDSACASA-N 0 1 385.432 1.547 20 0 GDADMN CCc1cnccc1[C@H](C)NCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825739788 947310117 /nfs/dbraw/zinc/31/01/17/947310117.db2.gz JXLUEYXUEHFCOJ-ZDUSSCGKSA-N 0 1 386.481 1.949 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573593177 947364984 /nfs/dbraw/zinc/36/49/84/947364984.db2.gz REGCYPKHYRATBQ-HIFRSBDPSA-N 0 1 387.488 1.344 20 0 GDADMN C[C@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573594365 947392401 /nfs/dbraw/zinc/39/24/01/947392401.db2.gz YJNDIBKGFXYGLT-SNVBAGLBSA-N 0 1 383.378 1.887 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573595515 947421712 /nfs/dbraw/zinc/42/17/12/947421712.db2.gz GMLHJMVXULEYBK-DGCLKSJQSA-N 0 1 378.502 1.273 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573595515 947421719 /nfs/dbraw/zinc/42/17/19/947421719.db2.gz GMLHJMVXULEYBK-DGCLKSJQSA-N 0 1 378.502 1.273 20 0 GDADMN COC(=O)[C@@H]1CN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1C ZINC000826132399 947446836 /nfs/dbraw/zinc/44/68/36/947446836.db2.gz FCIHLYUZFNFEAM-APHBMKBZSA-N 0 1 384.440 1.103 20 0 GDADMN CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1(C)C ZINC000826144525 947458187 /nfs/dbraw/zinc/45/81/87/947458187.db2.gz LWNACNWKHXVREO-BKDNQFJXSA-N 0 1 378.458 1.479 20 0 GDADMN CC(C)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001573603592 947491666 /nfs/dbraw/zinc/49/16/66/947491666.db2.gz IFSTVGRJQSSHRG-KGLIPLIRSA-N 0 1 388.476 1.145 20 0 GDADMN C[C@@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573613457 947563699 /nfs/dbraw/zinc/56/36/99/947563699.db2.gz APUFFIYYNJMXKW-ZUZCIYMTSA-N 0 1 383.378 1.533 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573615949 947615095 /nfs/dbraw/zinc/61/50/95/947615095.db2.gz LGJINBXKAQFJGV-GHMZBOCLSA-N 0 1 380.403 1.233 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)C(F)(F)F ZINC001573616218 947619701 /nfs/dbraw/zinc/61/97/01/947619701.db2.gz VSHWQCQDTNZSMI-JOYOIKCWSA-N 0 1 383.378 1.531 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573355390 947643407 /nfs/dbraw/zinc/64/34/07/947643407.db2.gz PBEZFYKZFXNZHQ-IBGZPJMESA-N 0 1 376.424 1.699 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573618409 947650592 /nfs/dbraw/zinc/65/05/92/947650592.db2.gz RWEOJJGPJCGTND-VXGBXAGGSA-N 0 1 384.469 1.204 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCc2ccc(CO)cc2)cc1-c1nn[nH]n1 ZINC000826229557 947671842 /nfs/dbraw/zinc/67/18/42/947671842.db2.gz ITDLPTHPALYAJU-UHFFFAOYSA-N 0 1 386.437 1.154 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC2([C@H](C)CCO)CCC2)cc1-c1nn[nH]n1 ZINC000826229486 947672108 /nfs/dbraw/zinc/67/21/08/947672108.db2.gz GGWJXIFPCBODJP-SNVBAGLBSA-N 0 1 392.485 1.608 20 0 GDADMN C[C@H](C(=O)N1CCC(c2nc(C3CCC3)no2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573623454 947688305 /nfs/dbraw/zinc/68/83/05/947688305.db2.gz FXPMUIYGWGDDOJ-SNVBAGLBSA-N 0 1 398.431 1.076 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573628322 947753567 /nfs/dbraw/zinc/75/35/67/947753567.db2.gz KTBVCJGSJNKIAM-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN CC(=O)CCCC(=O)N(C)C1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573369645 947774608 /nfs/dbraw/zinc/77/46/08/947774608.db2.gz VVQSCEMALZQEOD-UHFFFAOYSA-N 0 1 385.472 1.757 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573629244 947775259 /nfs/dbraw/zinc/77/52/59/947775259.db2.gz MUZHFEVQJCNGBB-KBPBESRZSA-N 0 1 381.440 1.731 20 0 GDADMN CC(C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)=C1CCC1 ZINC001573629310 947777453 /nfs/dbraw/zinc/77/74/53/947777453.db2.gz NXZNEXLOHUVYMD-AWEZNQCLSA-N 0 1 382.472 1.620 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001573372699 947781498 /nfs/dbraw/zinc/78/14/98/947781498.db2.gz CGNNJDSWRMEPPU-HNNXBMFYSA-N 0 1 385.472 1.626 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573630250 947790337 /nfs/dbraw/zinc/79/03/37/947790337.db2.gz XCJNCDVGUZTGTC-NEPJUHHUSA-N 0 1 384.469 1.347 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573630252 947790901 /nfs/dbraw/zinc/79/09/01/947790901.db2.gz XCJNCDVGUZTGTC-RYUDHWBXSA-N 0 1 384.469 1.347 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573376025 947829995 /nfs/dbraw/zinc/82/99/95/947829995.db2.gz VMPMHEPNOKGLTR-OAHLLOKOSA-N 0 1 385.472 1.402 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573646510 947876405 /nfs/dbraw/zinc/87/64/05/947876405.db2.gz PJXCIHFRWIAWSA-OASPWFOLSA-N 0 1 388.819 1.007 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C(C)(F)F ZINC001573650978 947916252 /nfs/dbraw/zinc/91/62/52/947916252.db2.gz HDDVLQXHPJTMBA-XQQFMLRXSA-N 0 1 391.426 1.838 20 0 GDADMN C[C@H](C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C)n1cccc1 ZINC001573652728 947945778 /nfs/dbraw/zinc/94/57/78/947945778.db2.gz HAMJSIOFKASZTJ-CZUORRHYSA-N 0 1 382.472 1.689 20 0 GDADMN Cc1onc(CC(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1-c1nnn[n-]1 ZINC000826342808 947984574 /nfs/dbraw/zinc/98/45/74/947984574.db2.gz AURVSQYILZNJNS-UHFFFAOYSA-N 0 1 385.428 1.309 20 0 GDADMN Cc1onc(CC(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1-c1nn[n-]n1 ZINC000826342808 947984578 /nfs/dbraw/zinc/98/45/78/947984578.db2.gz AURVSQYILZNJNS-UHFFFAOYSA-N 0 1 385.428 1.309 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573656835 947994379 /nfs/dbraw/zinc/99/43/79/947994379.db2.gz IPTXVZJKWNBNGM-SNVBAGLBSA-N 0 1 383.378 1.935 20 0 GDADMN C[C@@H](C(=O)NC1(C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1)C1CC1 ZINC001573656844 947995073 /nfs/dbraw/zinc/99/50/73/947995073.db2.gz ISBKRQVKRQPFBB-GFCCVEGCSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573657809 948003469 /nfs/dbraw/zinc/00/34/69/948003469.db2.gz OVGSWESEUSHUSP-CQSZACIVSA-N 0 1 380.456 1.800 20 0 GDADMN Cc1onc(CC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826344645 948012356 /nfs/dbraw/zinc/01/23/56/948012356.db2.gz NMPOOCCJEPVKQQ-AWEZNQCLSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826344645 948012365 /nfs/dbraw/zinc/01/23/65/948012365.db2.gz NMPOOCCJEPVKQQ-AWEZNQCLSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1-c1nnn[n-]1 ZINC000826348277 948070009 /nfs/dbraw/zinc/07/00/09/948070009.db2.gz FKMHDMSPPQDQMY-UHFFFAOYSA-N 0 1 385.428 1.675 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1-c1nn[n-]n1 ZINC000826348277 948070024 /nfs/dbraw/zinc/07/00/24/948070024.db2.gz FKMHDMSPPQDQMY-UHFFFAOYSA-N 0 1 385.428 1.675 20 0 GDADMN C[C@H](C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C(C)(C)C ZINC001573691108 948236902 /nfs/dbraw/zinc/23/69/02/948236902.db2.gz HNHQEENVLMNFCA-KZULUSFZSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@H](C(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573691506 948243116 /nfs/dbraw/zinc/24/31/16/948243116.db2.gz JKKYKFFMFKVGJT-DJJJIMSYSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573703615 948358263 /nfs/dbraw/zinc/35/82/63/948358263.db2.gz LHZNVNSTYUNHMS-KGLIPLIRSA-N 0 1 381.440 1.991 20 0 GDADMN O=C1[C@@H](N2CCC(c3nnc[nH]3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476355 948380368 /nfs/dbraw/zinc/38/03/68/948380368.db2.gz GCALQLSEJFNRAH-INIZCTEOSA-N 0 1 393.455 1.360 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705040 948388459 /nfs/dbraw/zinc/38/84/59/948388459.db2.gz VGMTWWFRBWHGMV-UONOGXRCSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)c1cccnc1 ZINC001573715411 948489891 /nfs/dbraw/zinc/48/98/91/948489891.db2.gz VTTYXDPVRHTFAC-ZDUSSCGKSA-N 0 1 383.431 1.753 20 0 GDADMN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001185597596 948490913 /nfs/dbraw/zinc/49/09/13/948490913.db2.gz CHYOIORSHKNUTG-UHFFFAOYSA-N 0 1 386.437 1.806 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(F)F ZINC001573718751 948519767 /nfs/dbraw/zinc/51/97/67/948519767.db2.gz KDKXSIYGIRGNOF-ZCFIWIBFSA-N 0 1 379.824 1.820 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)[C@@H]1CCCO1 ZINC001573719753 948529109 /nfs/dbraw/zinc/52/91/09/948529109.db2.gz OYDBBHKNZYPRLW-IUCAKERBSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573741964 948657504 /nfs/dbraw/zinc/65/75/04/948657504.db2.gz GYKXGOSAAJUXDO-GHMZBOCLSA-N 0 1 387.394 1.682 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573751905 948707483 /nfs/dbraw/zinc/70/74/83/948707483.db2.gz HPEPGTNMQKBVIL-ZSGPHXLJSA-N 0 1 392.467 1.546 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CCC1 ZINC001573753442 948719196 /nfs/dbraw/zinc/71/91/96/948719196.db2.gz VEOFUFOKGZWIGU-MTYBJYJGSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573753711 948720552 /nfs/dbraw/zinc/72/05/52/948720552.db2.gz XCSGIUKCDKVBCV-ZNSHCXBVSA-N 0 1 378.387 1.174 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574416568 948752114 /nfs/dbraw/zinc/75/21/14/948752114.db2.gz YJBYTEXCCVIWAE-GFCCVEGCSA-N 0 1 381.444 1.170 20 0 GDADMN CC(F)(F)C1(C(=O)NCCN(c2ccnc(-c3nn[nH]n3)n2)C2CC2)CC1 ZINC001575221791 948752285 /nfs/dbraw/zinc/75/22/85/948752285.db2.gz CQIBZYXVMZLMMM-UHFFFAOYSA-N 0 1 378.387 1.177 20 0 GDADMN CC(C)[C@@H](NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1)c1nncn1C ZINC001574078570 948756135 /nfs/dbraw/zinc/75/61/35/948756135.db2.gz DYPJMVBATGJKOY-ZCFIWIBFSA-N 0 1 382.841 1.624 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574914845 948758528 /nfs/dbraw/zinc/75/85/28/948758528.db2.gz NXNUMWGQKAXVHG-NSHDSACASA-N 0 1 386.847 1.281 20 0 GDADMN C[C@H](C(=O)Nc1cc(Cl)ccc1OC(F)F)n1cnc(-c2nn[nH]n2)n1 ZINC001573755361 948762438 /nfs/dbraw/zinc/76/24/38/948762438.db2.gz CHNVRQLXWXCEOR-ZCFIWIBFSA-N 0 1 384.734 1.913 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574080352 948791029 /nfs/dbraw/zinc/79/10/29/948791029.db2.gz PQZSPHSNJHKXTR-MLGOLLRUSA-N 0 1 375.452 1.977 20 0 GDADMN CC(C)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001574420603 948803244 /nfs/dbraw/zinc/80/32/44/948803244.db2.gz ZTFXIVHVFJZWKQ-KBPBESRZSA-N 0 1 390.451 1.883 20 0 GDADMN CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001574421127 948813203 /nfs/dbraw/zinc/81/32/03/948813203.db2.gz HERGYHVNAAZZMO-FOLVSLTJSA-N 0 1 379.424 1.843 20 0 GDADMN CC(C)c1cnc(CNCC2CC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)o1 ZINC001574424339 948848669 /nfs/dbraw/zinc/84/86/69/948848669.db2.gz LBBMZOJTFBRSIV-UHFFFAOYSA-N 0 1 384.444 1.604 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574684054 948855854 /nfs/dbraw/zinc/85/58/54/948855854.db2.gz APTZRHBIPSADLT-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574684054 948855873 /nfs/dbraw/zinc/85/58/73/948855873.db2.gz APTZRHBIPSADLT-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574684054 948855893 /nfs/dbraw/zinc/85/58/93/948855893.db2.gz APTZRHBIPSADLT-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574684054 948855912 /nfs/dbraw/zinc/85/59/12/948855912.db2.gz APTZRHBIPSADLT-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)CCc1cscn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920488 948905762 /nfs/dbraw/zinc/90/57/62/948905762.db2.gz MIXAUTBNBCYLDZ-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN C[C@H](CNC(=O)CCc1cscn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920488 948905777 /nfs/dbraw/zinc/90/57/77/948905777.db2.gz MIXAUTBNBCYLDZ-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001574088582 948927100 /nfs/dbraw/zinc/92/71/00/948927100.db2.gz BKFXTYXPSJDGIT-UONOGXRCSA-N 0 1 391.501 1.145 20 0 GDADMN CC(C)c1ncncc1C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432907 948943881 /nfs/dbraw/zinc/94/38/81/948943881.db2.gz OWRWGWMQRMGBPE-UHFFFAOYSA-N 0 1 380.456 1.642 20 0 GDADMN CC(F)(F)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575239808 948965603 /nfs/dbraw/zinc/96/56/03/948965603.db2.gz VBJAEEGDRWRESI-YOGCLGLASA-N 0 1 392.414 1.708 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001573772832 948967623 /nfs/dbraw/zinc/96/76/23/948967623.db2.gz FZASVCZSUAYDDF-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573772842 948970073 /nfs/dbraw/zinc/97/00/73/948970073.db2.gz WYWBXQNDMPYTQS-NXEZZACHSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)F ZINC001573772899 948970602 /nfs/dbraw/zinc/97/06/02/948970602.db2.gz YBXKFBIZRFERFW-SNVBAGLBSA-N 0 1 380.403 1.423 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001574090859 948998908 /nfs/dbraw/zinc/99/89/08/948998908.db2.gz JQPGPILABHMDQB-UONOGXRCSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)c1nnsc1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574439609 949013410 /nfs/dbraw/zinc/01/34/10/949013410.db2.gz IEXUHXZCHSBAMK-MGCOHNPYSA-N 0 1 385.457 1.031 20 0 GDADMN C[C@H](CNC(=O)COC1CCCC1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574929530 949096445 /nfs/dbraw/zinc/09/64/45/949096445.db2.gz GDQCZKHWZKNMCX-CYBMUJFWSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573781775 949111795 /nfs/dbraw/zinc/11/17/95/949111795.db2.gz NCNTXECSBPFDKA-UHFFFAOYSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](CNC(=O)COCC(F)F)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574932259 949133704 /nfs/dbraw/zinc/13/37/04/949133704.db2.gz WTLJSTXDUPTNNR-SNVBAGLBSA-N 0 1 386.378 1.224 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001574448014 949175927 /nfs/dbraw/zinc/17/59/27/949175927.db2.gz BNEBQLLSUIJQQJ-IMRBUKKESA-N 0 1 380.412 1.238 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1F ZINC001574698278 949183175 /nfs/dbraw/zinc/18/31/75/949183175.db2.gz IQEUMJIGOBKYJM-NWDGAFQWSA-N 0 1 384.419 1.280 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574698718 949204323 /nfs/dbraw/zinc/20/43/23/949204323.db2.gz NUTFRCIGBLLHES-MNOVXSKESA-N 0 1 387.423 1.262 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001575853287 949208654 /nfs/dbraw/zinc/20/86/54/949208654.db2.gz NISMZUHYIIHBTA-UHFFFAOYSA-N 0 1 377.399 1.522 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574936083 949208999 /nfs/dbraw/zinc/20/89/99/949208999.db2.gz HBXVZNQUJCMSHZ-VIFPVBQESA-N 0 1 392.876 1.200 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574450278 949211157 /nfs/dbraw/zinc/21/11/57/949211157.db2.gz YZIFPHCPQDPYFA-CQSZACIVSA-N 0 1 381.440 1.982 20 0 GDADMN C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576151188 949212864 /nfs/dbraw/zinc/21/28/64/949212864.db2.gz DJDBNORUCJATNR-GJZGRUSLSA-N 0 1 387.488 1.752 20 0 GDADMN C[C@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574936258 949215636 /nfs/dbraw/zinc/21/56/36/949215636.db2.gz JBEKQYFOQZKKGL-SNVBAGLBSA-N 0 1 388.382 1.119 20 0 GDADMN CC(C)n1cc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574451963 949249897 /nfs/dbraw/zinc/24/98/97/949249897.db2.gz CBAUVSRSXLMUIM-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN CC(C)c1scnc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574452510 949263042 /nfs/dbraw/zinc/26/30/42/949263042.db2.gz LNWYXIHUUGBHBK-JTQLQIEISA-N 0 1 385.457 1.245 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001589605876 949264830 /nfs/dbraw/zinc/26/48/30/949264830.db2.gz YFCOGHORAPJFOO-HNAYVOBHSA-N 0 1 375.425 1.441 20 0 GDADMN C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575257327 949271806 /nfs/dbraw/zinc/27/18/06/949271806.db2.gz ZYZSUXLOTOUDSL-SGTLLEGYSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)n1cc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001574452947 949275715 /nfs/dbraw/zinc/27/57/15/949275715.db2.gz SGJMMFMSJDYQBK-QGZVFWFLSA-N 0 1 380.456 1.648 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H](C)CNCc2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC001574454796 949289465 /nfs/dbraw/zinc/28/94/65/949289465.db2.gz FGWZTHQOFIWKMH-GFCCVEGCSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574941533 949313810 /nfs/dbraw/zinc/31/38/10/949313810.db2.gz RQKVDQVKLATBDQ-JTQLQIEISA-N 0 1 389.822 1.635 20 0 GDADMN C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575259136 949318740 /nfs/dbraw/zinc/31/87/40/949318740.db2.gz MKSBJJGYRINJJZ-DZGCQCFKSA-N 0 1 383.456 1.330 20 0 GDADMN CC1=C(C)C[C@@H](C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)CC1 ZINC001575861216 949319636 /nfs/dbraw/zinc/31/96/36/949319636.db2.gz PWSHMZLBHXFILO-OTWHNJEPSA-N 0 1 396.495 1.665 20 0 GDADMN CC(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001574109431 949321550 /nfs/dbraw/zinc/32/15/50/949321550.db2.gz ZBADGCDGOMQJHR-UHFFFAOYSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001574109431 949321566 /nfs/dbraw/zinc/32/15/66/949321566.db2.gz ZBADGCDGOMQJHR-UHFFFAOYSA-N 0 1 378.502 1.417 20 0 GDADMN C[C@@H](c1ncccn1)N1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 ZINC001575525204 949337863 /nfs/dbraw/zinc/33/78/63/949337863.db2.gz WPHCECQEJIXCAT-MBNYWOFBSA-N 0 1 381.444 1.044 20 0 GDADMN CC(C)n1ccc(CNC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574460236 949372778 /nfs/dbraw/zinc/37/27/78/949372778.db2.gz SQPSFRCDLHYGRU-OAHLLOKOSA-N 0 1 383.460 1.367 20 0 GDADMN C[C@H](CNC(=O)Cc1cnoc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574944363 949392977 /nfs/dbraw/zinc/39/29/77/949392977.db2.gz BIYAVTIFYBNRRK-SSDOTTSWSA-N 0 1 382.837 1.372 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCC1(F)F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704873 949408999 /nfs/dbraw/zinc/40/89/99/949408999.db2.gz FJBMVOZSQDCWEK-MFKMUULPSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263852 949410826 /nfs/dbraw/zinc/41/08/26/949410826.db2.gz KGYXOOVKXFHXGA-ZMZPIMSZSA-N 0 1 390.513 1.416 20 0 GDADMN C[C@@]1(C(=O)N2CCC(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575534518 949426849 /nfs/dbraw/zinc/42/68/49/949426849.db2.gz NCIQCDCNJOKBGQ-GOSISDBHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)N2CCC(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)CCOC1 ZINC001575534518 949426861 /nfs/dbraw/zinc/42/68/61/949426861.db2.gz NCIQCDCNJOKBGQ-GOSISDBHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@H](CNC(=O)Cc1ncccc1F)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574946178 949429051 /nfs/dbraw/zinc/42/90/51/949429051.db2.gz SNHRYLQZPIWVET-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](CNC(=O)Cc1ncccc1F)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574946178 949429067 /nfs/dbraw/zinc/42/90/67/949429067.db2.gz SNHRYLQZPIWVET-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](CNC(=O)Cc1ncccc1F)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574946180 949429648 /nfs/dbraw/zinc/42/96/48/949429648.db2.gz SNHRYLQZPIWVET-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](CNC(=O)Cc1ncccc1F)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574946180 949429661 /nfs/dbraw/zinc/42/96/61/949429661.db2.gz SNHRYLQZPIWVET-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[NH+](C)C ZINC001576156389 949441662 /nfs/dbraw/zinc/44/16/62/949441662.db2.gz MNXINCLLHZKMFG-UGSOOPFHSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[NH+](C)C ZINC001576156389 949441676 /nfs/dbraw/zinc/44/16/76/949441676.db2.gz MNXINCLLHZKMFG-UGSOOPFHSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575265709 949452704 /nfs/dbraw/zinc/45/27/04/949452704.db2.gz ADNKFFMFLXEIDM-VHSXEESVSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575265840 949457634 /nfs/dbraw/zinc/45/76/34/949457634.db2.gz VUERLVBJPJLPSE-HIFRSBDPSA-N 0 1 385.472 1.409 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575266099 949467742 /nfs/dbraw/zinc/46/77/42/949467742.db2.gz XDQKHTYYHMWWSE-QWHCGFSZSA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575266099 949467755 /nfs/dbraw/zinc/46/77/55/949467755.db2.gz XDQKHTYYHMWWSE-QWHCGFSZSA-N 0 1 387.492 1.082 20 0 GDADMN C[C@@H](CN(C)C(=O)C1CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711193 949527721 /nfs/dbraw/zinc/52/77/21/949527721.db2.gz FBXXWBXSCIXJLR-LBPRGKRZSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575268728 949529207 /nfs/dbraw/zinc/52/92/07/949529207.db2.gz OLGRLYKYNBOBCP-KBPBESRZSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575269648 949558224 /nfs/dbraw/zinc/55/82/24/949558224.db2.gz WCDKORGHCLQOOT-DTWKUNHWSA-N 0 1 384.366 1.116 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC1(O)CCC1 ZINC001573811589 949604349 /nfs/dbraw/zinc/60/43/49/949604349.db2.gz MCTSJJONXMMVIX-CQSZACIVSA-N 0 1 392.529 1.854 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC1(O)CCC1 ZINC001573811589 949604363 /nfs/dbraw/zinc/60/43/63/949604363.db2.gz MCTSJJONXMMVIX-CQSZACIVSA-N 0 1 392.529 1.854 20 0 GDADMN C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576167537 949607726 /nfs/dbraw/zinc/60/77/26/949607726.db2.gz QDSUVLCXGKVRRP-GOEBONIOSA-N 0 1 392.467 1.416 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576167984 949623578 /nfs/dbraw/zinc/62/35/78/949623578.db2.gz AZPDSHZLVILFFX-GOEBONIOSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@H](NC(=O)CC[C@@H]1CCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575272319 949641398 /nfs/dbraw/zinc/64/13/98/949641398.db2.gz OWBITNMJVRUFJO-JSGCOSHPSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576168632 949648751 /nfs/dbraw/zinc/64/87/51/949648751.db2.gz CRKAKCBQYVDWDV-WFASDCNBSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715753 949666616 /nfs/dbraw/zinc/66/66/16/949666616.db2.gz GEOQZQFZYKXFET-CJNGLKHVSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCC12CC2 ZINC001573817290 949697914 /nfs/dbraw/zinc/69/79/14/949697914.db2.gz ZETISFZLXPEKOG-QWHCGFSZSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575880915 949709616 /nfs/dbraw/zinc/70/96/16/949709616.db2.gz VVTQOVQKDXYOFC-IUODEOHRSA-N 0 1 385.497 1.968 20 0 GDADMN C[C@@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575880915 949709629 /nfs/dbraw/zinc/70/96/29/949709629.db2.gz VVTQOVQKDXYOFC-IUODEOHRSA-N 0 1 385.497 1.968 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1CCC(O)CC1 ZINC001573818192 949721290 /nfs/dbraw/zinc/72/12/90/949721290.db2.gz ICOZPKCIOVYHQS-ZUEPYMLJSA-N 0 1 387.488 1.178 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCCO1 ZINC001573818246 949727496 /nfs/dbraw/zinc/72/74/96/949727496.db2.gz IZCFTJILNYUEFX-CJNGLKHVSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@@H]1CCCC[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576170772 949739445 /nfs/dbraw/zinc/73/94/45/949739445.db2.gz MVMKWVUJTYTIQG-UKRRQHHQSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CCOc1ccccc1 ZINC001575277108 949739836 /nfs/dbraw/zinc/73/98/36/949739836.db2.gz NTWBSXFKCQJYLX-KGLIPLIRSA-N 0 1 381.440 1.458 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)COC1CCCC1 ZINC001573819281 949748174 /nfs/dbraw/zinc/74/81/74/949748174.db2.gz SIPFSKUYXACFNX-INIZCTEOSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574136706 949749843 /nfs/dbraw/zinc/74/98/43/949749843.db2.gz PYSNGUXLUCNKLK-CABCVRRESA-N 0 1 389.504 1.590 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574481015 949761964 /nfs/dbraw/zinc/76/19/64/949761964.db2.gz MCUJIEJCWGYVHR-CABCVRRESA-N 0 1 392.467 1.533 20 0 GDADMN CC1(C(=O)N[C@@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)CCCC1 ZINC001575560216 949785610 /nfs/dbraw/zinc/78/56/10/949785610.db2.gz MRUJTGSCUNWUFO-QWHCGFSZSA-N 0 1 382.472 1.498 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1cccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574721167 949808133 /nfs/dbraw/zinc/80/81/33/949808133.db2.gz JWKZMMCDQDVFFH-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1cccnc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574721167 949808157 /nfs/dbraw/zinc/80/81/57/949808157.db2.gz JWKZMMCDQDVFFH-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574721717 949822810 /nfs/dbraw/zinc/82/28/10/949822810.db2.gz NBPGPEDJPDDICQ-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574721717 949822825 /nfs/dbraw/zinc/82/28/25/949822825.db2.gz NBPGPEDJPDDICQ-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172914 949829371 /nfs/dbraw/zinc/82/93/71/949829371.db2.gz ZIURVYCLRNHIBS-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172914 949829390 /nfs/dbraw/zinc/82/93/90/949829390.db2.gz ZIURVYCLRNHIBS-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574966343 949845438 /nfs/dbraw/zinc/84/54/38/949845438.db2.gz XTZRNJPWUYFDBS-SRQIZXRXSA-N 0 1 377.808 1.794 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574966287 949845547 /nfs/dbraw/zinc/84/55/47/949845547.db2.gz WJEABLVHELDQOM-BMFZPTHFSA-N 0 1 377.452 1.652 20 0 GDADMN CC(C)(C)C1CC(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)C1 ZINC001573824152 949848091 /nfs/dbraw/zinc/84/80/91/949848091.db2.gz CZKJQRBGHZHHSS-UHFFFAOYSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576174087 949849097 /nfs/dbraw/zinc/84/90/97/949849097.db2.gz ZUOXEAFZLLVGSA-KGLIPLIRSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576178225 949881400 /nfs/dbraw/zinc/88/14/00/949881400.db2.gz GTHMZMQRRQRCLY-PWSUYJOCSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H](CN(C)C(=O)C[NH+]1CCCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574725634 949902479 /nfs/dbraw/zinc/90/24/79/949902479.db2.gz UNNZXPIVFPHKGU-SECBINFHSA-N 0 1 384.897 1.331 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574484889 949908965 /nfs/dbraw/zinc/90/89/65/949908965.db2.gz QUXIOETYTGGHDN-HOCLYGCPSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575284857 949922280 /nfs/dbraw/zinc/92/22/80/949922280.db2.gz WYVBBRMPASIGIR-QWRGUYRKSA-N 0 1 382.428 1.097 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574728491 949988170 /nfs/dbraw/zinc/98/81/70/949988170.db2.gz BKCDOGAPMGUFQK-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001576181244 949991321 /nfs/dbraw/zinc/99/13/21/949991321.db2.gz LHTGFKAKBHGFMN-BXUZGUMPSA-N 0 1 382.432 1.123 20 0 GDADMN C[C@@H](C(=O)[O-])[N@@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001602820326 971625203 /nfs/dbraw/zinc/62/52/03/971625203.db2.gz RFMOQUDHYAKZGU-KBPBESRZSA-N 0 1 383.489 1.687 20 0 GDADMN CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCCCC1 ZINC001575573912 950005907 /nfs/dbraw/zinc/00/59/07/950005907.db2.gz QEZSKKFKDVHZPX-CYBMUJFWSA-N 0 1 392.529 1.855 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001576182378 950049578 /nfs/dbraw/zinc/04/95/78/950049578.db2.gz OENVZJXFWOVENF-RISCZKNCSA-N 0 1 382.432 1.123 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cn(C)cn1 ZINC001574151666 950090470 /nfs/dbraw/zinc/09/04/70/950090470.db2.gz XOBYAHJFUQQDET-GFCCVEGCSA-N 0 1 388.501 1.596 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cn(C)cn1 ZINC001574151666 950090491 /nfs/dbraw/zinc/09/04/91/950090491.db2.gz XOBYAHJFUQQDET-GFCCVEGCSA-N 0 1 388.501 1.596 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733051 950093318 /nfs/dbraw/zinc/09/33/18/950093318.db2.gz QRJMVXGVZCXONK-UONOGXRCSA-N 0 1 380.456 1.216 20 0 GDADMN C[C@@]1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCc2ccccc21 ZINC001575581988 950095839 /nfs/dbraw/zinc/09/58/39/950095839.db2.gz AUYRRGRQTRYPSN-LJQANCHMSA-N 0 1 390.451 1.043 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575894581 950100578 /nfs/dbraw/zinc/10/05/78/950100578.db2.gz FJPXTQZVRRUTKS-CJNGLKHVSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183936 950111403 /nfs/dbraw/zinc/11/14/03/950111403.db2.gz SHWAVNLRJVGCQE-GDBMZVCRSA-N 0 1 392.467 1.274 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574152866 950121621 /nfs/dbraw/zinc/12/16/21/950121621.db2.gz KYRJORYFUOBVSU-OAHLLOKOSA-N 0 1 386.504 1.689 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574152866 950121636 /nfs/dbraw/zinc/12/16/36/950121636.db2.gz KYRJORYFUOBVSU-OAHLLOKOSA-N 0 1 386.504 1.689 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574152865 950121874 /nfs/dbraw/zinc/12/18/74/950121874.db2.gz KYRJORYFUOBVSU-HNNXBMFYSA-N 0 1 386.504 1.689 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574152865 950121884 /nfs/dbraw/zinc/12/18/84/950121884.db2.gz KYRJORYFUOBVSU-HNNXBMFYSA-N 0 1 386.504 1.689 20 0 GDADMN CN1C(=O)c2ccc(NC(=O)C[N@H+]3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2C1=O ZINC000262560849 950140610 /nfs/dbraw/zinc/14/06/10/950140610.db2.gz WFIMDXMDLHWYNG-LYRGGWFBSA-N 0 1 385.420 1.569 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1ccc(Cl)cc1F ZINC001574982756 950183763 /nfs/dbraw/zinc/18/37/63/950183763.db2.gz GLAOMMQPVXKCIG-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cc(O)ccc1Cl ZINC001574739898 950214403 /nfs/dbraw/zinc/21/44/03/950214403.db2.gz YZVZVIZZWCRARU-JTQLQIEISA-N 0 1 389.847 1.804 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001574497085 950226985 /nfs/dbraw/zinc/22/69/85/950226985.db2.gz YTLKMQWFCIPGOU-CXAGYDPISA-N 0 1 380.456 1.443 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001574497090 950228831 /nfs/dbraw/zinc/22/88/31/950228831.db2.gz YTLKMQWFCIPGOU-SUMWQHHRSA-N 0 1 380.456 1.443 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574157392 950230965 /nfs/dbraw/zinc/23/09/65/950230965.db2.gz AHHIPFLXOKRECR-LIRRHRJNSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)n1cccn1 ZINC001574157818 950253560 /nfs/dbraw/zinc/25/35/60/950253560.db2.gz JFLDWOPEDPOKFP-ZIAGYGMSSA-N 0 1 383.460 1.084 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCOC1 ZINC001574158242 950271223 /nfs/dbraw/zinc/27/12/23/950271223.db2.gz PNSBCVAIYMUJSD-LSDHHAIUSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cnsn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903193 950271800 /nfs/dbraw/zinc/27/18/00/950271800.db2.gz YUYJVMBJSKGANJ-SMDDNHRTSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cnsn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903186 950272991 /nfs/dbraw/zinc/27/29/91/950272991.db2.gz YUYJVMBJSKGANJ-BXUZGUMPSA-N 0 1 384.469 1.501 20 0 GDADMN CC1(C(=O)NCCN(c2ccnc(-c3nn[nH]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575592229 950280309 /nfs/dbraw/zinc/28/03/09/950280309.db2.gz DSIFREZSKFKZGW-UHFFFAOYSA-N 0 1 378.387 1.177 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)C(F)(F)F ZINC001574498639 950280257 /nfs/dbraw/zinc/28/02/57/950280257.db2.gz OVVBAMZNCWBMFJ-JTQLQIEISA-N 0 1 383.378 1.723 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905074 950287992 /nfs/dbraw/zinc/28/79/92/950287992.db2.gz BDMQTDSHBVQEFA-BXUZGUMPSA-N 0 1 386.485 1.363 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905074 950288002 /nfs/dbraw/zinc/28/80/02/950288002.db2.gz BDMQTDSHBVQEFA-BXUZGUMPSA-N 0 1 386.485 1.363 20 0 GDADMN C[C@]1(C(=O)NCCN(Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOC1 ZINC001575592698 950295429 /nfs/dbraw/zinc/29/54/29/950295429.db2.gz JSHMRQMQCKJPPM-KRWDZBQOSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@]1(C(=O)NCCCNc2snc(Cl)c2-c2nn[n-]n2)CCCOC1 ZINC001575593850 950316561 /nfs/dbraw/zinc/31/65/61/950316561.db2.gz OWJFAQIVRUTBIL-AWEZNQCLSA-N 0 1 385.881 1.712 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001574501861 950348860 /nfs/dbraw/zinc/34/88/60/950348860.db2.gz HBGAFHLBISMWCO-KBXCAEBGSA-N 0 1 384.484 1.620 20 0 GDADMN CC1CC[NH+](CC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001576196410 950359649 /nfs/dbraw/zinc/35/96/49/950359649.db2.gz CQWLLISQQWOELM-INIZCTEOSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001574744734 950362853 /nfs/dbraw/zinc/36/28/53/950362853.db2.gz ACNIPEPJRNBEAE-NSHDSACASA-N 0 1 383.460 1.277 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574502664 950389419 /nfs/dbraw/zinc/38/94/19/950389419.db2.gz PFRFOJKANLBWMD-CQSZACIVSA-N 0 1 380.456 1.263 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574503114 950403565 /nfs/dbraw/zinc/40/35/65/950403565.db2.gz UASPVRUIVONZPO-HUUCEWRRSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576203777 950449926 /nfs/dbraw/zinc/44/99/26/950449926.db2.gz JJBBFRRDOBAFOX-KGLIPLIRSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576203777 950449941 /nfs/dbraw/zinc/44/99/41/950449941.db2.gz JJBBFRRDOBAFOX-KGLIPLIRSA-N 0 1 387.463 1.433 20 0 GDADMN CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001575605600 950473088 /nfs/dbraw/zinc/47/30/88/950473088.db2.gz PTGKLKXQXDBAKM-IAGOWNOFSA-N 0 1 375.436 1.678 20 0 GDADMN C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001574508654 950484030 /nfs/dbraw/zinc/48/40/30/950484030.db2.gz LDVRXKHXSVPPLE-VIFPVBQESA-N 0 1 384.366 1.330 20 0 GDADMN CC1CCN(CC(=O)NCC2(Nc3ncc(-c4nn[nH]n4)cc3F)CC2)CC1 ZINC001576205018 950493904 /nfs/dbraw/zinc/49/39/04/950493904.db2.gz FQCCRNODXGNAEE-UHFFFAOYSA-N 0 1 388.451 1.193 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574753382 950521092 /nfs/dbraw/zinc/52/10/92/950521092.db2.gz LXEOWZGWCFBCLK-GFCCVEGCSA-N 0 1 379.424 1.286 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cccc(Cl)c1F ZINC001574996685 950528640 /nfs/dbraw/zinc/52/86/40/950528640.db2.gz OIYIQPKIDOIZJS-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccc(Cl)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753594 950531570 /nfs/dbraw/zinc/53/15/70/950531570.db2.gz QCHFGULHRKWJLB-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001574511437 950561172 /nfs/dbraw/zinc/56/11/72/950561172.db2.gz LMFJOCCAXJDZMC-CHWSQXEVSA-N 0 1 386.485 1.467 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573869675 950569059 /nfs/dbraw/zinc/56/90/59/950569059.db2.gz BACSEQQVMNBDHO-AWEZNQCLSA-N 0 1 390.463 1.902 20 0 GDADMN CC1(C)C(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1(C)C ZINC001575616955 950596216 /nfs/dbraw/zinc/59/62/16/950596216.db2.gz WNTWINZSXVJSNC-CABCVRRESA-N 0 1 384.484 1.210 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575000414 950604202 /nfs/dbraw/zinc/60/42/02/950604202.db2.gz CPJPEDRSLYZWMS-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN CC1(C)C(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1(C)C ZINC001575619795 950621375 /nfs/dbraw/zinc/62/13/75/950621375.db2.gz PTAVTXGXXICCBJ-NEPJUHHUSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574758773 950623233 /nfs/dbraw/zinc/62/32/33/950623233.db2.gz GSHLTDBWQULNCO-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574758773 950623250 /nfs/dbraw/zinc/62/32/50/950623250.db2.gz GSHLTDBWQULNCO-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575001673 950641172 /nfs/dbraw/zinc/64/11/72/950641172.db2.gz XROCNLGIAQSOHI-SECBINFHSA-N 0 1 391.386 1.188 20 0 GDADMN CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC001589744584 950659724 /nfs/dbraw/zinc/65/97/24/950659724.db2.gz UVZFUKWKBDKESF-MOPGFXCFSA-N 0 1 388.512 1.877 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1=O ZINC001589744865 950672355 /nfs/dbraw/zinc/67/23/55/950672355.db2.gz IECIYGFMHKHROZ-GXTWGEPZSA-N 0 1 375.425 1.362 20 0 GDADMN C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575005697 950696814 /nfs/dbraw/zinc/69/68/14/950696814.db2.gz LDAJSSXCRYNKLW-LBPRGKRZSA-N 0 1 381.444 1.049 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575927317 950741343 /nfs/dbraw/zinc/74/13/43/950741343.db2.gz OZTROQKUHSXWJJ-XHDPSFHLSA-N 0 1 379.424 1.480 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575927620 950749319 /nfs/dbraw/zinc/74/93/19/950749319.db2.gz QWPMZZNISOOACJ-WBMJQRKESA-N 0 1 390.451 1.671 20 0 GDADMN CC1(C)CC(C(=O)N[C@@]23CCC[C@@H]2N(c2ccnc(-c4nn[nH]n4)n2)CC3)C1 ZINC001575629988 950753567 /nfs/dbraw/zinc/75/35/67/950753567.db2.gz XUPRCYWWTFQMGB-ORAYPTAESA-N 0 1 382.472 1.711 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cscn1 ZINC001575927853 950758524 /nfs/dbraw/zinc/75/85/24/950758524.db2.gz VHMBBJMHEXUHSS-BXUZGUMPSA-N 0 1 384.469 1.174 20 0 GDADMN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573882005 950763285 /nfs/dbraw/zinc/76/32/85/950763285.db2.gz NJFBRWDWLLOQCN-OAHLLOKOSA-N 0 1 392.467 1.963 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C)c1 ZINC001575927974 950768189 /nfs/dbraw/zinc/76/81/89/950768189.db2.gz WVLLFKZKWSBYFM-JSGCOSHPSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cccnc1 ZINC001574522517 950791685 /nfs/dbraw/zinc/79/16/85/950791685.db2.gz JWCCGYUSQPHKLN-QWHCGFSZSA-N 0 1 385.497 1.939 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cccnc1 ZINC001574522517 950791694 /nfs/dbraw/zinc/79/16/94/950791694.db2.gz JWCCGYUSQPHKLN-QWHCGFSZSA-N 0 1 385.497 1.939 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cccnc1 ZINC001574522515 950794422 /nfs/dbraw/zinc/79/44/22/950794422.db2.gz JWCCGYUSQPHKLN-CHWSQXEVSA-N 0 1 385.497 1.939 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cccnc1 ZINC001574522515 950794440 /nfs/dbraw/zinc/79/44/40/950794440.db2.gz JWCCGYUSQPHKLN-CHWSQXEVSA-N 0 1 385.497 1.939 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ccn(C)n1 ZINC001574522896 950802303 /nfs/dbraw/zinc/80/23/03/950802303.db2.gz LRFAVATWUXXDNF-RYUDHWBXSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ccn(C)n1 ZINC001574522896 950802318 /nfs/dbraw/zinc/80/23/18/950802318.db2.gz LRFAVATWUXXDNF-RYUDHWBXSA-N 0 1 388.501 1.277 20 0 GDADMN CC1(C)C[C@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575638395 950825008 /nfs/dbraw/zinc/82/50/08/950825008.db2.gz BHKZSOJWZOUWAK-MNOVXSKESA-N 0 1 392.414 1.423 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1CCOCC1 ZINC001574524195 950851261 /nfs/dbraw/zinc/85/12/61/950851261.db2.gz UTNGPNCIBLNUTE-VXGBXAGGSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1CCOCC1 ZINC001574524195 950851290 /nfs/dbraw/zinc/85/12/90/950851290.db2.gz UTNGPNCIBLNUTE-VXGBXAGGSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCn1ccnc1 ZINC001574524372 950858467 /nfs/dbraw/zinc/85/84/67/950858467.db2.gz VZDLUJLRNVTDDY-QWHCGFSZSA-N 0 1 388.501 1.588 20 0 GDADMN CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575639377 950863414 /nfs/dbraw/zinc/86/34/14/950863414.db2.gz ACXKELOEAOSMTH-LBPRGKRZSA-N 0 1 382.428 1.675 20 0 GDADMN C[C@@H](CN(C)C[C@H](O)c1ccccc1F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767745 950864939 /nfs/dbraw/zinc/86/49/39/950864939.db2.gz QBNPYRVQDSWZGG-ZBEGNZNMSA-N 0 1 387.419 1.118 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576226486 950881558 /nfs/dbraw/zinc/88/15/58/950881558.db2.gz BSIDZVROLYNKQN-WFASDCNBSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576226486 950881575 /nfs/dbraw/zinc/88/15/75/950881575.db2.gz BSIDZVROLYNKQN-WFASDCNBSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)CCCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001574190494 950912486 /nfs/dbraw/zinc/91/24/86/950912486.db2.gz YKOMNBAYCYXVFC-ZWKOTPCHSA-N 0 1 386.500 1.744 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574528077 950924598 /nfs/dbraw/zinc/92/45/98/950924598.db2.gz KRWQMVJGRHBESX-UWVGGRQHSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccc(=O)[nH]n1 ZINC001574528077 950924614 /nfs/dbraw/zinc/92/46/14/950924614.db2.gz KRWQMVJGRHBESX-UWVGGRQHSA-N 0 1 388.457 1.111 20 0 GDADMN CC(C)(CC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573895455 950936767 /nfs/dbraw/zinc/93/67/67/950936767.db2.gz BKOMTNDCCIYFPM-HNNXBMFYSA-N 0 1 390.463 1.399 20 0 GDADMN CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590414075 950950374 /nfs/dbraw/zinc/95/03/74/950950374.db2.gz PSLAXWUVICQVLL-YPMHNXCESA-N 0 1 382.379 1.706 20 0 GDADMN CCOC(=O)CCCCC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590414075 950950395 /nfs/dbraw/zinc/95/03/95/950950395.db2.gz PSLAXWUVICQVLL-YPMHNXCESA-N 0 1 382.379 1.706 20 0 GDADMN CC(C)n1ncnc1CN[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529603 950956572 /nfs/dbraw/zinc/95/65/72/950956572.db2.gz RGPWRUILEFOKDR-NWDGAFQWSA-N 0 1 386.464 1.054 20 0 GDADMN C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1nn(C)cc1Cl ZINC001574529849 950959804 /nfs/dbraw/zinc/95/98/04/950959804.db2.gz AQODNUJPBCGPKR-UWVGGRQHSA-N 0 1 391.867 1.268 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)CC(F)F ZINC001573899794 950987097 /nfs/dbraw/zinc/98/70/97/950987097.db2.gz KFMGNYMUGGRPBX-MSRIBSCDSA-N 0 1 392.414 1.279 20 0 GDADMN C[C@@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576230286 950999503 /nfs/dbraw/zinc/99/95/03/950999503.db2.gz ANKRLIGRIWOUQY-GDBMZVCRSA-N 0 1 392.467 1.274 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CC(F)(F)C1 ZINC001574774051 951000359 /nfs/dbraw/zinc/00/03/59/951000359.db2.gz BQVLONDEYROOGA-SNVBAGLBSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CCOCC1 ZINC001574774427 951004154 /nfs/dbraw/zinc/00/41/54/951004154.db2.gz CHHALYPANDJVEK-LBPRGKRZSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575028986 951180212 /nfs/dbraw/zinc/18/02/12/951180212.db2.gz YBFFJIITRJONOX-SNVBAGLBSA-N 0 1 388.382 1.849 20 0 GDADMN C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575031913 951210604 /nfs/dbraw/zinc/21/06/04/951210604.db2.gz LZLBOYBHMHQUPS-JTQLQIEISA-N 0 1 388.382 1.849 20 0 GDADMN C[C@@H](CNC(=O)c1cn2c(n1)CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575044621 951415460 /nfs/dbraw/zinc/41/54/60/951415460.db2.gz SRSZRHYPMYGBSX-NSHDSACASA-N 0 1 384.419 1.057 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575044787 951417875 /nfs/dbraw/zinc/41/78/75/951417875.db2.gz VAJSIAQYLXLNMP-NSHDSACASA-N 0 1 379.428 1.184 20 0 GDADMN C[C@H](CNC(=O)c1cncc(F)c1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575046276 951439087 /nfs/dbraw/zinc/43/90/87/951439087.db2.gz MHKNMSIMFYRCCW-LLVKDONJSA-N 0 1 387.394 1.790 20 0 GDADMN C[C@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575053312 951479775 /nfs/dbraw/zinc/47/97/75/951479775.db2.gz SHGIAIMDSBAKSU-GFCCVEGCSA-N 0 1 381.444 1.123 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)C1=O ZINC001595074195 951627708 /nfs/dbraw/zinc/62/77/08/951627708.db2.gz NKMKMOWSTQONII-HZPDHXFCSA-N 0 1 381.473 1.585 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)C1=O ZINC001595074195 951627710 /nfs/dbraw/zinc/62/77/10/951627710.db2.gz NKMKMOWSTQONII-HZPDHXFCSA-N 0 1 381.473 1.585 20 0 GDADMN C[C@H](CNC(=O)c1scnc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575068533 951634367 /nfs/dbraw/zinc/63/43/67/951634367.db2.gz AEEKTXCYAGHOBX-SSDOTTSWSA-N 0 1 379.837 1.021 20 0 GDADMN O=C([O-])CN1CC[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC001595079903 951671322 /nfs/dbraw/zinc/67/13/22/951671322.db2.gz XBBVDYZYPMQBBR-VXGBXAGGSA-N 0 1 380.750 1.667 20 0 GDADMN C[C@H](CNCc1c(F)cccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077639 951672184 /nfs/dbraw/zinc/67/21/84/951672184.db2.gz HKBTYWZCLYRHOK-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575088709 951742661 /nfs/dbraw/zinc/74/26/61/951742661.db2.gz BEHGORNJWBCJOO-GTNSWQLSSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCOC1)C1CC1 ZINC001575088709 951742665 /nfs/dbraw/zinc/74/26/65/951742665.db2.gz BEHGORNJWBCJOO-GTNSWQLSSA-N 0 1 376.486 1.339 20 0 GDADMN O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1=O ZINC001595091969 951785908 /nfs/dbraw/zinc/78/59/08/951785908.db2.gz XFQZUMDKODPQKX-IRXDYDNUSA-N 0 1 394.516 1.548 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncs1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100479 951843799 /nfs/dbraw/zinc/84/37/99/951843799.db2.gz SWRCBBIIGGYTMQ-LLVKDONJSA-N 0 1 391.526 1.859 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncs1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100479 951843812 /nfs/dbraw/zinc/84/38/12/951843812.db2.gz SWRCBBIIGGYTMQ-LLVKDONJSA-N 0 1 391.526 1.859 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)Cc1cncs1 ZINC001575101646 951861967 /nfs/dbraw/zinc/86/19/67/951861967.db2.gz HSPBBNNNQNRJPX-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)Cc1cncs1 ZINC001575101646 951861970 /nfs/dbraw/zinc/86/19/70/951861970.db2.gz HSPBBNNNQNRJPX-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN O=C([O-])Cn1cc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC001595143153 952097852 /nfs/dbraw/zinc/09/78/52/952097852.db2.gz VCAUERMIPNIVOY-IKGGRYGDSA-N 0 1 383.452 1.393 20 0 GDADMN C[C@](CNc1cccc(F)c1-c1nn[nH]n1)(NC(=O)CN1CCCC1)C1CC1 ZINC001575133732 952107156 /nfs/dbraw/zinc/10/71/56/952107156.db2.gz GLZQMKMUKWWKKQ-LJQANCHMSA-N 0 1 387.463 1.798 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575135598 952120045 /nfs/dbraw/zinc/12/00/45/952120045.db2.gz LXVPYXMIGINCCP-MRXNPFEDSA-N 0 1 392.414 1.211 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001575144660 952169183 /nfs/dbraw/zinc/16/91/83/952169183.db2.gz XDGAQRMDKNOOPV-BBRMVZONSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575145008 952176011 /nfs/dbraw/zinc/17/60/11/952176011.db2.gz OBFLPYJQWRJKTM-LBPRGKRZSA-N 0 1 378.440 1.140 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCc1cccnc1)C1CC1 ZINC001575145516 952186173 /nfs/dbraw/zinc/18/61/73/952186173.db2.gz ZBIHCOOINOKRRO-HXUWFJFHSA-N 0 1 392.467 1.408 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCCc1ccccn1 ZINC001575147077 952198210 /nfs/dbraw/zinc/19/82/10/952198210.db2.gz POMNZMNMRLUIBQ-CQSZACIVSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)CC1(O)CCC1 ZINC001575164789 952299110 /nfs/dbraw/zinc/29/91/10/952299110.db2.gz HUQCDKPSRGESJQ-MRVPVSSYSA-N 0 1 385.881 1.541 20 0 GDADMN C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)CCc1cnc[nH]1 ZINC001575165564 952310081 /nfs/dbraw/zinc/31/00/81/952310081.db2.gz PGOLBWVEWRSNMV-JTQLQIEISA-N 0 1 389.851 1.530 20 0 GDADMN C[C@H](COc1ccccc1F)NS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001575179145 952409992 /nfs/dbraw/zinc/40/99/92/952409992.db2.gz TUCHGBQBWVOQKI-SECBINFHSA-N 0 1 383.430 1.813 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188558 952449124 /nfs/dbraw/zinc/44/91/24/952449124.db2.gz JKJWSFHCVVOFDN-STQMWFEESA-N 0 1 383.431 1.618 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575197306 952481339 /nfs/dbraw/zinc/48/13/39/952481339.db2.gz SJTAMNXSWBMUQB-STQMWFEESA-N 0 1 382.428 1.214 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575197273 952481496 /nfs/dbraw/zinc/48/14/96/952481496.db2.gz RNBCVEOGPOMSJD-HSBZDZAISA-N 0 1 381.440 1.462 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001575197324 952483001 /nfs/dbraw/zinc/48/30/01/952483001.db2.gz UBNSBQFPGHSHPL-SJCJKPOMSA-N 0 1 381.440 1.462 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575197786 952487380 /nfs/dbraw/zinc/48/73/80/952487380.db2.gz ZSZICRCIXUSFAR-CHWSQXEVSA-N 0 1 382.428 1.214 20 0 GDADMN OCC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1Br ZINC001571119613 952493721 /nfs/dbraw/zinc/49/37/21/952493721.db2.gz DCVDXCXVDXQLAF-NSHDSACASA-N 0 1 376.218 1.377 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575200234 952494075 /nfs/dbraw/zinc/49/40/75/952494075.db2.gz AYZDJTOBFKQPGW-OCCSQVGLSA-N 0 1 381.444 1.267 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575200432 952495097 /nfs/dbraw/zinc/49/50/97/952495097.db2.gz JKHLOZBLTLATCW-WBMJQRKESA-N 0 1 383.460 1.416 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575200393 952495447 /nfs/dbraw/zinc/49/54/47/952495447.db2.gz JACKSTJFHBXTKI-IUODEOHRSA-N 0 1 383.460 1.416 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001575201055 952500742 /nfs/dbraw/zinc/50/07/42/952500742.db2.gz NDUAGLUKDJWYDB-NSHDSACASA-N 0 1 384.419 1.668 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575201065 952501038 /nfs/dbraw/zinc/50/10/38/952501038.db2.gz GXNZSAQPSMXGBY-XHBSWPGZSA-N 0 1 381.444 1.122 20 0 GDADMN O=C(c1cc(Cl)cs1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571121086 952514949 /nfs/dbraw/zinc/51/49/49/952514949.db2.gz VNDHGDPNOUBYFO-SNVBAGLBSA-N 0 1 375.845 1.725 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCCNc1cccc(F)c1-c1nn[nH]n1 ZINC001575203519 952524073 /nfs/dbraw/zinc/52/40/73/952524073.db2.gz ZAJQEIODWPREJY-LBPRGKRZSA-N 0 1 386.435 1.868 20 0 GDADMN CC(F)(F)C(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1 ZINC001575211671 952550259 /nfs/dbraw/zinc/55/02/59/952550259.db2.gz YBFYHSNTAWNRBM-CQSZACIVSA-N 0 1 380.399 1.229 20 0 GDADMN Cc1ccccc1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571128666 952570344 /nfs/dbraw/zinc/57/03/44/952570344.db2.gz WIXBMDJTQOSJKD-KDOFPFPSSA-N 0 1 377.452 1.494 20 0 GDADMN Cc1c(Br)ccnc1NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001571130571 952580829 /nfs/dbraw/zinc/58/08/29/952580829.db2.gz UAXJSZGTBNWJAI-ZETCQYMHSA-N 0 1 378.194 1.124 20 0 GDADMN Cc1cncc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001571133995 952584122 /nfs/dbraw/zinc/58/41/22/952584122.db2.gz ATCVQCLUZKLHEY-XJKSGUPXSA-N 0 1 378.440 1.398 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cccnn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134345 952589140 /nfs/dbraw/zinc/58/91/40/952589140.db2.gz DLFZCUNCNBIXAK-XJKSGUPXSA-N 0 1 378.440 1.440 20 0 GDADMN Cc1nccc(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571134455 952590807 /nfs/dbraw/zinc/59/08/07/952590807.db2.gz IHGYKRJAZPJPJG-MRXNPFEDSA-N 0 1 378.440 1.360 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(-c3nn[nH]n3)c2)[nH]n1 ZINC001571134557 952591399 /nfs/dbraw/zinc/59/13/99/952591399.db2.gz GTKXNECOCCATNP-INMHGKMJSA-N 0 1 378.440 1.434 20 0 GDADMN Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)c3cc[nH]c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134847 952596539 /nfs/dbraw/zinc/59/65/39/952596539.db2.gz OIKWNGAQXCFYLB-LIRRHRJNSA-N 0 1 378.440 1.687 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccccn2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571135223 952601673 /nfs/dbraw/zinc/60/16/73/952601673.db2.gz RJQIIMVOKQXSNX-KGLIPLIRSA-N 0 1 378.440 1.289 20 0 GDADMN Cc1ccccc1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571136552 952613610 /nfs/dbraw/zinc/61/36/10/952613610.db2.gz QOFMODZUYGXWAZ-MSOLQXFVSA-N 0 1 378.436 1.150 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)c1ccccn1 ZINC001571139319 952620275 /nfs/dbraw/zinc/62/02/75/952620275.db2.gz FTFBGCBSMFKUPX-QLPKVWCKSA-N 0 1 379.399 1.261 20 0 GDADMN Cn1cc(C(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)c(C(F)(F)F)n1 ZINC001571140523 952626425 /nfs/dbraw/zinc/62/64/25/952626425.db2.gz CBYDHPHCHHISFJ-UHFFFAOYSA-N 0 1 378.727 1.981 20 0 GDADMN CCOc1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571140781 952628344 /nfs/dbraw/zinc/62/83/44/952628344.db2.gz GKSVBPXTAGLCDE-CQSZACIVSA-N 0 1 379.424 1.409 20 0 GDADMN Cc1cc[nH]c1C(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571142563 952642908 /nfs/dbraw/zinc/64/29/08/952642908.db2.gz UQTWUCVJNWBMAT-QMMMGPOBSA-N 0 1 378.849 1.940 20 0 GDADMN C[C@H](NC(=O)c1ccncn1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571146951 952655706 /nfs/dbraw/zinc/65/57/06/952655706.db2.gz DNJIXOWXBHCEPC-LBPRGKRZSA-N 0 1 379.428 1.087 20 0 GDADMN O=C(N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ncccc1[O-] ZINC001571148238 952666739 /nfs/dbraw/zinc/66/67/39/952666739.db2.gz WJWUHWCKLJNZSY-AWEZNQCLSA-N 0 1 379.424 1.362 20 0 GDADMN O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ncccc1[O-] ZINC001571148238 952666743 /nfs/dbraw/zinc/66/67/43/952666743.db2.gz WJWUHWCKLJNZSY-AWEZNQCLSA-N 0 1 379.424 1.362 20 0 GDADMN CC(C)c1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571148458 952667806 /nfs/dbraw/zinc/66/78/06/952667806.db2.gz ZYIJKIMJVPSHGL-ZDUSSCGKSA-N 0 1 379.428 1.184 20 0 GDADMN CCc1oncc1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571155060 952691393 /nfs/dbraw/zinc/69/13/93/952691393.db2.gz FZMPILYMRATEFP-TXEJJXNPSA-N 0 1 380.412 1.021 20 0 GDADMN CC(C)(C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001571155306 952694975 /nfs/dbraw/zinc/69/49/75/952694975.db2.gz NLMJHPWOUMNRCO-INIZCTEOSA-N 0 1 380.403 1.020 20 0 GDADMN O=C(NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ocnc1C1CC1 ZINC001571160231 952723759 /nfs/dbraw/zinc/72/37/59/952723759.db2.gz FGVYQVRBXLKBNO-NSHDSACASA-N 0 1 380.412 1.383 20 0 GDADMN Cc1coc(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[nH]n4)n2)C3)c1 ZINC001571161416 952733013 /nfs/dbraw/zinc/73/30/13/952733013.db2.gz VFGYVEFXFSTCJG-UHFFFAOYSA-N 0 1 380.412 1.133 20 0 GDADMN Cc1ncc(C(=O)N[C@H]2CC[C@H](C)N(Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571169371 952772518 /nfs/dbraw/zinc/77/25/18/952772518.db2.gz AUGKADNZIGBIDS-LRDDRELGSA-N 0 1 380.456 1.681 20 0 GDADMN Cc1cc(NCC[C@H]2CCN(C(=O)c3cccn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169461 952773472 /nfs/dbraw/zinc/77/34/72/952773472.db2.gz DDOLLYPDQAWGIK-AWEZNQCLSA-N 0 1 380.456 1.295 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571170908 952790358 /nfs/dbraw/zinc/79/03/58/952790358.db2.gz ZFIHHKFULMMKMG-MEDUHNTESA-N 0 1 380.456 1.591 20 0 GDADMN O=C(NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C1CC2(CC2)C1 ZINC001571171757 952797111 /nfs/dbraw/zinc/79/71/11/952797111.db2.gz GCLPUENZLCSJHD-UHFFFAOYSA-N 0 1 380.456 1.108 20 0 GDADMN Cc1nn(C)cc1C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172589 952808095 /nfs/dbraw/zinc/80/80/95/952808095.db2.gz XYERRJXNMFKNRL-INIZCTEOSA-N 0 1 380.456 1.303 20 0 GDADMN Cc1ccc(F)cc1C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571178174 952835996 /nfs/dbraw/zinc/83/59/96/952835996.db2.gz ALDKGYJEUFXBBV-CYBMUJFWSA-N 0 1 381.415 1.966 20 0 GDADMN Cc1noc(C)c1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC001571180917 952861950 /nfs/dbraw/zinc/86/19/50/952861950.db2.gz REXOKIWGIJXQRR-BDJLRTHQSA-N 0 1 381.440 1.722 20 0 GDADMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccoc1 ZINC001571182968 952871767 /nfs/dbraw/zinc/87/17/67/952871767.db2.gz LAFRZVPKCWRAPM-DZGCQCFKSA-N 0 1 381.440 1.701 20 0 GDADMN O=C(N[C@@H]1CCN([C@H]2CCc3c2cccc3F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183056 952873336 /nfs/dbraw/zinc/87/33/36/952873336.db2.gz NARUDWOQNODPGF-DIFFPNOSSA-N 0 1 381.415 1.826 20 0 GDADMN COCc1cccc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571183153 952874178 /nfs/dbraw/zinc/87/41/78/952874178.db2.gz QDSAKKROTOCHIG-HNNXBMFYSA-N 0 1 381.440 1.346 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183214 952875543 /nfs/dbraw/zinc/87/55/43/952875543.db2.gz SSRHMILQEMSYQC-KBPBESRZSA-N 0 1 381.440 1.558 20 0 GDADMN C[C@H]1CN(C(=O)CCc2cnc[nH]2)CC[C@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001571184218 952889290 /nfs/dbraw/zinc/88/92/90/952889290.db2.gz UCVORXJRAWLYJC-SWLSCSKDSA-N 0 1 381.444 1.267 20 0 GDADMN Cc1c(C(=O)N[C@@H]2CC[C@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571184636 952895540 /nfs/dbraw/zinc/89/55/40/952895540.db2.gz BZODGWOCPUSYLM-WCQYABFASA-N 0 1 381.444 1.091 20 0 GDADMN CCn1cccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001571185013 952899036 /nfs/dbraw/zinc/89/90/36/952899036.db2.gz GSFXHGSKYCEWMH-QWHCGFSZSA-N 0 1 381.444 1.265 20 0 GDADMN Cc1ncn(C)c1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571188582 952916794 /nfs/dbraw/zinc/91/67/94/952916794.db2.gz LKAHGXNPRORIJO-ZDUSSCGKSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3ccnn3C)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188674 952918650 /nfs/dbraw/zinc/91/86/50/952918650.db2.gz MNJTYBHKPDPGHH-GXTWGEPZSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1nc(N[C@H]2C[C@H](C)N(C(=O)CCc3cnc[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189131 952925501 /nfs/dbraw/zinc/92/55/01/952925501.db2.gz MVIJJXGRKKPZCX-FZMZJTMJSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1ncn(C)c1C(=O)N[C@@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189264 952926234 /nfs/dbraw/zinc/92/62/34/952926234.db2.gz UGTPEPVOMIJTPT-SFHVURJKSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1cc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)ncn1 ZINC001571189576 952930612 /nfs/dbraw/zinc/93/06/12/952930612.db2.gz XNRBSQNJFHWVEN-STQMWFEESA-N 0 1 381.444 1.076 20 0 GDADMN Cc1cnc([C@H](C)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)cn1 ZINC001571189572 952931049 /nfs/dbraw/zinc/93/10/49/952931049.db2.gz XNQJMPDJJQILGU-RSAASHCRSA-N 0 1 381.444 1.105 20 0 GDADMN Cc1ccc(F)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1 ZINC001571196034 952979483 /nfs/dbraw/zinc/97/94/83/952979483.db2.gz GUVSZJRVGFQXDG-SMDDNHRTSA-N 0 1 382.403 1.241 20 0 GDADMN O=C([C@H](F)c1ccccc1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571197168 952987559 /nfs/dbraw/zinc/98/75/59/952987559.db2.gz TUVUDWSKXJHPHZ-UKRRQHHQSA-N 0 1 382.403 1.192 20 0 GDADMN CCc1nc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)co1 ZINC001571199009 952995652 /nfs/dbraw/zinc/99/56/52/952995652.db2.gz JXLZREHUQZIMGF-AAEUAGOBSA-N 0 1 382.428 1.197 20 0 GDADMN CCc1cc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C(C)(C)C2)no1 ZINC001571199214 952997754 /nfs/dbraw/zinc/99/77/54/952997754.db2.gz NKUUQGVMJPAGDI-OAHLLOKOSA-N 0 1 382.428 1.197 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H](F)c1ccccc1 ZINC001571199771 953004458 /nfs/dbraw/zinc/00/44/58/953004458.db2.gz BPTISMBDWNPOEI-DZGCQCFKSA-N 0 1 382.403 1.453 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571200496 953009296 /nfs/dbraw/zinc/00/92/96/953009296.db2.gz CPZVPAPNNKMOAM-SFHVURJKSA-N 0 1 382.428 1.574 20 0 GDADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(CF)cc1 ZINC001571201591 953018414 /nfs/dbraw/zinc/01/84/14/953018414.db2.gz RZMQJSCXJNMPHH-UHFFFAOYSA-N 0 1 382.403 1.169 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2CNc2ccncc2-c2nn[nH]n2)on1 ZINC001571202275 953024602 /nfs/dbraw/zinc/02/46/02/953024602.db2.gz SINYQHPFWLNTJB-XHDPSFHLSA-N 0 1 382.428 1.333 20 0 GDADMN Cc1cnoc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571202739 953027897 /nfs/dbraw/zinc/02/78/97/953027897.db2.gz XRVBRRCAQULODE-CHWSQXEVSA-N 0 1 382.428 1.333 20 0 GDADMN Cc1cnoc1C(=O)N1CCC[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571202741 953028275 /nfs/dbraw/zinc/02/82/75/953028275.db2.gz XRVBRRCAQULODE-QWHCGFSZSA-N 0 1 382.428 1.333 20 0 GDADMN Cc1nscc1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571210433 953072303 /nfs/dbraw/zinc/07/23/03/953072303.db2.gz ROFMYPMUYKMQGG-JYAVWHMHSA-N 0 1 382.453 1.200 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCCC[C@H]2NC(=O)c2cnn[nH]2)n1 ZINC001571213762 953097615 /nfs/dbraw/zinc/09/76/15/953097615.db2.gz VLFHRMODWPUIRJ-WCQYABFASA-N 0 1 382.432 1.089 20 0 GDADMN O=C(COc1ccccc1OCC(F)(F)F)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001571217230 953106304 /nfs/dbraw/zinc/10/63/04/953106304.db2.gz CSKLYYLLILRDQO-UHFFFAOYSA-N 0 1 383.290 1.548 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001571217843 953110886 /nfs/dbraw/zinc/11/08/86/953110886.db2.gz QBMINDMZZAWHDF-WDEREUQCSA-N 0 1 383.378 1.533 20 0 GDADMN COCc1ccc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571219316 953124947 /nfs/dbraw/zinc/12/49/47/953124947.db2.gz NUBQKPDTKFVJRF-GFCCVEGCSA-N 0 1 383.412 1.140 20 0 GDADMN Cc1cc(N2CCC3(C[C@@H]3NC(=O)[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233482 953192922 /nfs/dbraw/zinc/19/29/22/953192922.db2.gz WGIHJLGPSKWYSC-CVEARBPZSA-N 0 1 383.456 1.224 20 0 GDADMN Cc1cc(C)nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571233920 953196956 /nfs/dbraw/zinc/19/69/56/953196956.db2.gz IAXYARGMCQRTBJ-JOCQHMNTSA-N 0 1 383.481 1.991 20 0 GDADMN Cc1cc(C)nc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571233920 953196959 /nfs/dbraw/zinc/19/69/59/953196959.db2.gz IAXYARGMCQRTBJ-JOCQHMNTSA-N 0 1 383.481 1.991 20 0 GDADMN O=C(c1ccncc1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571234265 953200767 /nfs/dbraw/zinc/20/07/67/953200767.db2.gz REQRWHHASHKFJJ-ZDUSSCGKSA-N 0 1 383.481 1.965 20 0 GDADMN O=C(c1ccncc1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571234265 953200768 /nfs/dbraw/zinc/20/07/68/953200768.db2.gz REQRWHHASHKFJJ-ZDUSSCGKSA-N 0 1 383.481 1.965 20 0 GDADMN Cc1sccc1CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571234415 953202371 /nfs/dbraw/zinc/20/23/71/953202371.db2.gz WVGPFMKGNMUGEA-CQSZACIVSA-N 0 1 383.481 1.878 20 0 GDADMN O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@@H]1CCCO1 ZINC001571235214 953210598 /nfs/dbraw/zinc/21/05/98/953210598.db2.gz XIECESIGFXIZJY-YIZRAAEISA-N 0 1 383.865 1.462 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CCN1Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571239640 953241405 /nfs/dbraw/zinc/24/14/05/953241405.db2.gz OWCPRGHNWKCEKO-GOEBONIOSA-N 0 1 384.419 1.512 20 0 GDADMN Cc1ncc(C(=O)N(C)C2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)[nH]1 ZINC001571241497 953247583 /nfs/dbraw/zinc/24/75/83/953247583.db2.gz BHAOLUZJINYOQK-UHFFFAOYSA-N 0 1 384.419 1.778 20 0 GDADMN Cc1cc(C)c(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)s1 ZINC001571245232 953271608 /nfs/dbraw/zinc/27/16/08/953271608.db2.gz PVQFXQKMJMFHNG-LBPRGKRZSA-N 0 1 384.469 1.734 20 0 GDADMN CCN(C(=O)c1ccsn1)[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571245620 953275260 /nfs/dbraw/zinc/27/52/60/953275260.db2.gz XCFPHFOMFKIORX-GFCCVEGCSA-N 0 1 384.469 1.768 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CCN(C(=O)c2cscn2)CC1 ZINC001571246073 953280160 /nfs/dbraw/zinc/28/01/60/953280160.db2.gz RVWWPRKBGKQMLF-LLVKDONJSA-N 0 1 384.469 1.493 20 0 GDADMN O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2)c1cn[nH]c1 ZINC001571247625 953284332 /nfs/dbraw/zinc/28/43/32/953284332.db2.gz BFDGQZXRLJCKCK-AWEZNQCLSA-N 0 1 384.469 1.436 20 0 GDADMN O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2)c1cn[nH]c1 ZINC001571247625 953284336 /nfs/dbraw/zinc/28/43/36/953284336.db2.gz BFDGQZXRLJCKCK-AWEZNQCLSA-N 0 1 384.469 1.436 20 0 GDADMN O=C(Cc1cscn1)N[C@H]1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571248189 953290375 /nfs/dbraw/zinc/29/03/75/953290375.db2.gz NCPBUGAZVCGYRM-FZMZJTMJSA-N 0 1 384.469 1.080 20 0 GDADMN CC[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571249720 953307218 /nfs/dbraw/zinc/30/72/18/953307218.db2.gz KWTSAAQHUUIGHR-HNNXBMFYSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C1CCCC1 ZINC001571251563 953318526 /nfs/dbraw/zinc/31/85/26/953318526.db2.gz ZOICVTSMIUAJAQ-GXTWGEPZSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571251869 953320698 /nfs/dbraw/zinc/32/06/98/953320698.db2.gz BRMXKOOPTGSCIK-UKPHBRMFSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571251869 953320701 /nfs/dbraw/zinc/32/07/01/953320701.db2.gz BRMXKOOPTGSCIK-UKPHBRMFSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@@H]1CCN(C(=O)CCC2CCC2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571252049 953322503 /nfs/dbraw/zinc/32/25/03/953322503.db2.gz GFLMPCSWHNPMDT-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN CN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571252091 953322558 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1 376.457 1.190 20 0 GDADMN COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000829174743 603005866 /nfs/dbraw/zinc/00/58/66/603005866.db2.gz WLUDASVAKUZERP-WDEREUQCSA-N 0 1 385.848 1.966 20 0 GDADMN COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000829174743 603005872 /nfs/dbraw/zinc/00/58/72/603005872.db2.gz WLUDASVAKUZERP-WDEREUQCSA-N 0 1 385.848 1.966 20 0 GDADMN CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000739737766 603018904 /nfs/dbraw/zinc/01/89/04/603018904.db2.gz ROEXCUKAYYRKSJ-GUDVDZBRSA-N 0 1 388.512 1.918 20 0 GDADMN C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000739737766 603018908 /nfs/dbraw/zinc/01/89/08/603018908.db2.gz ROEXCUKAYYRKSJ-GUDVDZBRSA-N 0 1 388.512 1.918 20 0 GDADMN C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000739737766 603018912 /nfs/dbraw/zinc/01/89/12/603018912.db2.gz ROEXCUKAYYRKSJ-GUDVDZBRSA-N 0 1 388.512 1.918 20 0 GDADMN CC(C)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[O-] ZINC000738913874 603025719 /nfs/dbraw/zinc/02/57/19/603025719.db2.gz XWCGAZUHMKJVSU-HOTGVXAUSA-N 0 1 392.504 1.184 20 0 GDADMN CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739240220 603050971 /nfs/dbraw/zinc/05/09/71/603050971.db2.gz VMAIBGKFRXJVME-ZDUSSCGKSA-N 0 1 376.457 1.508 20 0 GDADMN CCO[C@H]1C[C@H]([N@H+](C)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1(C)C ZINC000739492653 603051713 /nfs/dbraw/zinc/05/17/13/603051713.db2.gz XNIUQXBVGGUFHR-STQMWFEESA-N 0 1 382.461 1.144 20 0 GDADMN CCO[C@H]1C[C@H]([N@@H+](C)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1(C)C ZINC000739492653 603051715 /nfs/dbraw/zinc/05/17/15/603051715.db2.gz XNIUQXBVGGUFHR-STQMWFEESA-N 0 1 382.461 1.144 20 0 GDADMN C[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000737677877 603061921 /nfs/dbraw/zinc/06/19/21/603061921.db2.gz YWHPMRLNCXDRPS-MAUKXSAKSA-N 0 1 375.469 1.782 20 0 GDADMN C[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000737677877 603061924 /nfs/dbraw/zinc/06/19/24/603061924.db2.gz YWHPMRLNCXDRPS-MAUKXSAKSA-N 0 1 375.469 1.782 20 0 GDADMN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000738682512 603068870 /nfs/dbraw/zinc/06/88/70/603068870.db2.gz KGYLAWWVGQEPLC-JKSUJKDBSA-N 0 1 384.521 1.813 20 0 GDADMN C[C@H](NC(=O)NC[C@H]1CCCN1C(=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738979024 603085056 /nfs/dbraw/zinc/08/50/56/603085056.db2.gz LKDQQOHFNQMGPH-CGTJXYLNSA-N 0 1 390.484 1.718 20 0 GDADMN C[C@H](NC(=O)NC[C@H]1CCCN1C(=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738979024 603085058 /nfs/dbraw/zinc/08/50/58/603085058.db2.gz LKDQQOHFNQMGPH-CGTJXYLNSA-N 0 1 390.484 1.718 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)N[C@H](CNC(=O)[O-])C3CC3)C2)nc(C)[nH+]1 ZINC000740081309 603085940 /nfs/dbraw/zinc/08/59/40/603085940.db2.gz WXWAJJKBQIYHCT-HUUCEWRRSA-N 0 1 376.461 1.408 20 0 GDADMN 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C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000820261745 607201526 /nfs/dbraw/zinc/20/15/26/607201526.db2.gz POIPZGLZBKKZKA-NSHDSACASA-N 0 1 378.868 1.278 20 0 GDADMN CCOc1cccc2cc([C@@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)oc21 ZINC000821431582 607205925 /nfs/dbraw/zinc/20/59/25/607205925.db2.gz WLYBAQSWPCWJPZ-SNVBAGLBSA-N 0 1 382.384 1.481 20 0 GDADMN Cc1nc(-c2ccc([C@@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)cs1 ZINC000822419625 607206618 /nfs/dbraw/zinc/20/66/18/607206618.db2.gz RPLXCCINZHJIFL-SNVBAGLBSA-N 0 1 395.452 1.768 20 0 GDADMN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820293174 607210140 /nfs/dbraw/zinc/21/01/40/607210140.db2.gz IBAZUYRXDWCFOQ-SECBINFHSA-N 0 1 396.333 1.061 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(OC2CCCCC2)cc1 ZINC000823131740 607212976 /nfs/dbraw/zinc/21/29/76/607212976.db2.gz MYGCFLCGPFDRPF-UHFFFAOYSA-N 0 1 382.428 1.486 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000823127182 607213847 /nfs/dbraw/zinc/21/38/47/607213847.db2.gz WAPQWPNHQWXSQN-GFCCVEGCSA-N 0 1 392.345 1.841 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000823127109 607215591 /nfs/dbraw/zinc/21/55/91/607215591.db2.gz UAEAYYSFNYULEI-GOSISDBHSA-N 0 1 386.419 1.633 20 0 GDADMN CCC(CC)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)[NH2+][C@H](C)c1ccccc1 ZINC000820887629 607216425 /nfs/dbraw/zinc/21/64/25/607216425.db2.gz JTGLHWJPSYMNFX-CQSZACIVSA-N 0 1 397.487 1.484 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000823127123 607217253 /nfs/dbraw/zinc/21/72/53/607217253.db2.gz UEJFXCXDJZDQTD-JTQLQIEISA-N 0 1 379.211 1.569 20 0 GDADMN COc1cccc(C=C2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)c1 ZINC000821862585 607223770 /nfs/dbraw/zinc/22/37/70/607223770.db2.gz DCHYDFKPTQJDLB-UHFFFAOYSA-N 0 1 380.412 1.173 20 0 GDADMN CC(C)N(CCc1nccs1)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824293459 607831492 /nfs/dbraw/zinc/83/14/92/607831492.db2.gz MMGWTWFFPOAYLT-UHFFFAOYSA-N 0 1 385.497 1.893 20 0 GDADMN CCN1CCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000825459437 607831652 /nfs/dbraw/zinc/83/16/52/607831652.db2.gz KOXMYZZGLKPISY-NWDGAFQWSA-N 0 1 377.880 1.873 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826077802 608020070 /nfs/dbraw/zinc/02/00/70/608020070.db2.gz WKCACNIOZLYLLG-ZDUSSCGKSA-N 0 1 394.483 1.876 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826077802 608020071 /nfs/dbraw/zinc/02/00/71/608020071.db2.gz WKCACNIOZLYLLG-ZDUSSCGKSA-N 0 1 394.483 1.876 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccccc2OC)c1-c1nnn[n-]1 ZINC000826077154 608020356 /nfs/dbraw/zinc/02/03/56/608020356.db2.gz BLVZXZPJHFERCF-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccccc2OC)c1-c1nn[n-]n1 ZINC000826077154 608020357 /nfs/dbraw/zinc/02/03/57/608020357.db2.gz BLVZXZPJHFERCF-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3cccnc3)on2)c1-c1nnn[n-]1 ZINC000826077904 608020673 /nfs/dbraw/zinc/02/06/73/608020673.db2.gz ZVDVEPVBDUNAPL-UHFFFAOYSA-N 0 1 394.399 1.044 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3cccnc3)on2)c1-c1nn[n-]n1 ZINC000826077904 608020674 /nfs/dbraw/zinc/02/06/74/608020674.db2.gz ZVDVEPVBDUNAPL-UHFFFAOYSA-N 0 1 394.399 1.044 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccccc2OC(C)C)c1-c1nnn[n-]1 ZINC000826077483 608021354 /nfs/dbraw/zinc/02/13/54/608021354.db2.gz JOUYFWXYLUVDDQ-UHFFFAOYSA-N 0 1 398.471 1.710 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccccc2OC(C)C)c1-c1nn[n-]n1 ZINC000826077483 608021355 /nfs/dbraw/zinc/02/13/55/608021355.db2.gz JOUYFWXYLUVDDQ-UHFFFAOYSA-N 0 1 398.471 1.710 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000826077797 608022205 /nfs/dbraw/zinc/02/22/05/608022205.db2.gz WHJWIJKOEDSFNT-LBPRGKRZSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000826077797 608022206 /nfs/dbraw/zinc/02/22/06/608022206.db2.gz WHJWIJKOEDSFNT-LBPRGKRZSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC3CCC3)cc2)c1-c1nnn[n-]1 ZINC000826083606 608022285 /nfs/dbraw/zinc/02/22/85/608022285.db2.gz OHUQIXSMAJQOMN-UHFFFAOYSA-N 0 1 396.455 1.925 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC3CCC3)cc2)c1-c1nn[n-]n1 ZINC000826083606 608022286 /nfs/dbraw/zinc/02/22/86/608022286.db2.gz OHUQIXSMAJQOMN-UHFFFAOYSA-N 0 1 396.455 1.925 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(C(C)C)nc2C)c1-c1nnn[n-]1 ZINC000826083736 608022561 /nfs/dbraw/zinc/02/25/61/608022561.db2.gz PFFPXVBQGUMPDC-UHFFFAOYSA-N 0 1 389.489 1.882 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(C(C)C)nc2C)c1-c1nn[n-]n1 ZINC000826083736 608022562 /nfs/dbraw/zinc/02/25/62/608022562.db2.gz PFFPXVBQGUMPDC-UHFFFAOYSA-N 0 1 389.489 1.882 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000826073599 608022890 /nfs/dbraw/zinc/02/28/90/608022890.db2.gz YMRSAOYKKQJFDM-GFCCVEGCSA-N 0 1 398.471 1.568 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000826073599 608022891 /nfs/dbraw/zinc/02/28/91/608022891.db2.gz YMRSAOYKKQJFDM-GFCCVEGCSA-N 0 1 398.471 1.568 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1csc(-c2ccoc2)n1 ZINC000825933294 608034008 /nfs/dbraw/zinc/03/40/08/608034008.db2.gz AWGRYSPHRMUZOA-UHFFFAOYSA-N 0 1 385.457 1.953 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(OC(F)F)cc1 ZINC000825933884 608034926 /nfs/dbraw/zinc/03/49/26/608034926.db2.gz IGLDQWQGURWVGR-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(OC(F)F)cc1 ZINC000825933884 608034927 /nfs/dbraw/zinc/03/49/27/608034927.db2.gz IGLDQWQGURWVGR-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(OC(F)F)cc1 ZINC000825933884 608034928 /nfs/dbraw/zinc/03/49/28/608034928.db2.gz IGLDQWQGURWVGR-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(OC(F)F)cc1 ZINC000825933884 608034929 /nfs/dbraw/zinc/03/49/29/608034929.db2.gz IGLDQWQGURWVGR-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN COc1ccc(COCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826207070 608036275 /nfs/dbraw/zinc/03/62/75/608036275.db2.gz YWRBKIIRJWYGIC-UHFFFAOYSA-N 0 1 386.460 1.262 20 0 GDADMN COc1ccc(COCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826207070 608036276 /nfs/dbraw/zinc/03/62/76/608036276.db2.gz YWRBKIIRJWYGIC-UHFFFAOYSA-N 0 1 386.460 1.262 20 0 GDADMN COc1ccc(COCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826207070 608036277 /nfs/dbraw/zinc/03/62/77/608036277.db2.gz YWRBKIIRJWYGIC-UHFFFAOYSA-N 0 1 386.460 1.262 20 0 GDADMN COc1ccc(COCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826207070 608036278 /nfs/dbraw/zinc/03/62/78/608036278.db2.gz YWRBKIIRJWYGIC-UHFFFAOYSA-N 0 1 386.460 1.262 20 0 GDADMN O=C1C[C@@H](C2CC2)CN1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826479001 608096689 /nfs/dbraw/zinc/09/66/89/608096689.db2.gz NWIHLFWSVXVFOU-CQSZACIVSA-N 0 1 398.471 1.070 20 0 GDADMN C[C@H]1OCC[C@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825020194 608114657 /nfs/dbraw/zinc/11/46/57/608114657.db2.gz JFQASEUNLFCNRB-RHSMWYFYSA-N 0 1 385.472 1.261 20 0 GDADMN CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825486838 608127286 /nfs/dbraw/zinc/12/72/86/608127286.db2.gz ZUUNFCGFDJVPPP-YUMQZZPRSA-N 0 1 389.384 1.011 20 0 GDADMN CC1([C@H]2CCCN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)OCCO1 ZINC000824816796 608131298 /nfs/dbraw/zinc/13/12/98/608131298.db2.gz IBEAJBYJUGXVPE-HNNXBMFYSA-N 0 1 397.439 1.892 20 0 GDADMN CN(C)C1CN(C(=O)c2cccc(COc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825856364 608209343 /nfs/dbraw/zinc/20/93/43/608209343.db2.gz UGLXPHSZCVRVTR-UHFFFAOYSA-N 0 1 378.436 1.832 20 0 GDADMN O=S(=O)(CCN[C@@]1(CO)CCc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000826485648 608255488 /nfs/dbraw/zinc/25/54/88/608255488.db2.gz ZCLVIBLLPOTHCF-LJQANCHMSA-N 0 1 399.476 1.064 20 0 GDADMN CCC[C@@H]1CN(C(=O)COc2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000825253498 608313750 /nfs/dbraw/zinc/31/37/50/608313750.db2.gz NBYYRCGETKFGMM-MRXNPFEDSA-N 0 1 388.472 1.205 20 0 GDADMN O=C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410788 608326956 /nfs/dbraw/zinc/32/69/56/608326956.db2.gz YNWKNZNSHLZJGD-SJORKVTESA-N 0 1 384.484 1.622 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000826168870 608354623 /nfs/dbraw/zinc/35/46/23/608354623.db2.gz AXZGLEODQQLPTK-OAHLLOKOSA-N 0 1 394.501 1.169 20 0 GDADMN Cn1cc([C@@H](O)C[C@@H]2CCCN2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826360175 608376283 /nfs/dbraw/zinc/37/62/83/608376283.db2.gz ZVTQFPCHKOTOSR-IRXDYDNUSA-N 0 1 396.455 1.127 20 0 GDADMN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000826045446 608386907 /nfs/dbraw/zinc/38/69/07/608386907.db2.gz WEDNLXYYWXSQLL-UHFFFAOYSA-N 0 1 392.467 1.286 20 0 GDADMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)CC1CCS(=O)(=O)CC1 ZINC000826158974 608449648 /nfs/dbraw/zinc/44/96/48/608449648.db2.gz KWNKXKJPNWUGOT-UHFFFAOYSA-N 0 1 379.486 1.140 20 0 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CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571294769 946143760 /nfs/dbraw/zinc/14/37/60/946143760.db2.gz MANHSZJXZXWLRP-HNNXBMFYSA-N 0 1 389.529 1.445 20 0 GDADMN CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571294769 946143767 /nfs/dbraw/zinc/14/37/67/946143767.db2.gz MANHSZJXZXWLRP-HNNXBMFYSA-N 0 1 389.529 1.445 20 0 GDADMN CC[C@@H](F)C(=O)N1CCO[C@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571294906 946148312 /nfs/dbraw/zinc/14/83/12/946148312.db2.gz PSVARUWQVXWHHH-HTQZYQBOSA-N 0 1 389.844 1.364 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCc2cccnc21 ZINC001571294948 946150054 /nfs/dbraw/zinc/15/00/54/946150054.db2.gz MRVMSEATZXWSCB-ZWKOTPCHSA-N 0 1 389.463 1.682 20 0 GDADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCC(F)(F)C1 ZINC001571295080 946152971 /nfs/dbraw/zinc/15/29/71/946152971.db2.gz SFIMIFPDFPBTRC-KKOKHZNYSA-N 0 1 390.398 1.318 20 0 GDADMN Cn1cc(C[C@H]2CCN(Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)cn1 ZINC000822673954 946153327 /nfs/dbraw/zinc/15/33/27/946153327.db2.gz HMDDATZLGBXSGU-CYBMUJFWSA-N 0 1 391.439 1.715 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccc2c1CCC2 ZINC001571297953 946202109 /nfs/dbraw/zinc/20/21/09/946202109.db2.gz FJSFETRVVAIUKA-AWEZNQCLSA-N 0 1 390.451 1.544 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571298003 946204584 /nfs/dbraw/zinc/20/45/84/946204584.db2.gz GWHLJGSVCOHNKU-QGZVFWFLSA-N 0 1 390.463 1.854 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571298003 946204586 /nfs/dbraw/zinc/20/45/86/946204586.db2.gz GWHLJGSVCOHNKU-QGZVFWFLSA-N 0 1 390.463 1.854 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571298003 946204598 /nfs/dbraw/zinc/20/45/98/946204598.db2.gz GWHLJGSVCOHNKU-QGZVFWFLSA-N 0 1 390.463 1.854 20 0 GDADMN Cc1nsc(N2CCC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)c1-c1nn[nH]n1 ZINC001571300248 946277193 /nfs/dbraw/zinc/27/71/93/946277193.db2.gz XVDMWYFZCBTNCU-CHWSQXEVSA-N 0 1 390.517 1.201 20 0 GDADMN C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571300233 946278289 /nfs/dbraw/zinc/27/82/89/946278289.db2.gz XNRQRBWXDXLRKO-HZSPNIEDSA-N 0 1 390.513 1.539 20 0 GDADMN C[C@@H]1CN(C(=O)[C@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571300233 946278308 /nfs/dbraw/zinc/27/83/08/946278308.db2.gz XNRQRBWXDXLRKO-HZSPNIEDSA-N 0 1 390.513 1.539 20 0 GDADMN O=C(CC1CCOCC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571300336 946280711 /nfs/dbraw/zinc/28/07/11/946280711.db2.gz ZZGIVAJOIGMMEE-CQSZACIVSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(CC1CCOCC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571300336 946280719 /nfs/dbraw/zinc/28/07/19/946280719.db2.gz ZZGIVAJOIGMMEE-CQSZACIVSA-N 0 1 390.513 1.826 20 0 GDADMN Cc1nsc(N[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571300313 946281377 /nfs/dbraw/zinc/28/13/77/946281377.db2.gz ZJYZDZBMUBJOAJ-MFKMUULPSA-N 0 1 390.517 1.232 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H](NCc2nccn2C(F)F)C1 ZINC001571302237 946298186 /nfs/dbraw/zinc/29/81/86/946298186.db2.gz SDANWLGNFGYXAL-NSHDSACASA-N 0 1 391.386 1.181 20 0 GDADMN Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001571302691 946309855 /nfs/dbraw/zinc/30/98/55/946309855.db2.gz FXYHMQNBWMOMBE-GOOCMWNKSA-N 0 1 391.439 1.290 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1nc(Cl)cs1 ZINC001571305518 946366730 /nfs/dbraw/zinc/36/67/30/946366730.db2.gz CVDUPGOSJRRMGO-QMMMGPOBSA-N 0 1 391.848 1.165 20 0 GDADMN C[C@@]1(NC(=O)c2cccnn2)CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571306072 946387036 /nfs/dbraw/zinc/38/70/36/946387036.db2.gz OZWIFFGMJZUINC-CQSZACIVSA-N 0 1 391.848 1.165 20 0 GDADMN Cc1cncc(CC(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571306384 946396652 /nfs/dbraw/zinc/39/66/52/946396652.db2.gz UTUFBVQFDAOILC-IBGZPJMESA-N 0 1 391.479 1.893 20 0 GDADMN Cc1cnc(C(=O)N[C@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)cn1 ZINC001571306571 946404315 /nfs/dbraw/zinc/40/43/15/946404315.db2.gz XRDRXGYMKLTJLV-QMMMGPOBSA-N 0 1 391.848 1.084 20 0 GDADMN CN(Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571308544 946432972 /nfs/dbraw/zinc/43/29/72/946432972.db2.gz QPLMIPHFQOBQOV-ACJLOTCBSA-N 0 1 392.410 1.167 20 0 GDADMN Cc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571313350 946519640 /nfs/dbraw/zinc/51/96/40/946519640.db2.gz NDDBTUYRRCVJEN-IMJJTQAJSA-N 0 1 392.467 1.681 20 0 GDADMN CCN(C(=O)c1nccc(C)n1)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571313532 946525057 /nfs/dbraw/zinc/52/50/57/946525057.db2.gz RCFUIELKTAVNTR-KRWDZBQOSA-N 0 1 392.467 1.702 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571313629 946528066 /nfs/dbraw/zinc/52/80/66/946528066.db2.gz ROTMIOYKKDHJEY-FZKQIMNGSA-N 0 1 392.467 1.322 20 0 GDADMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1cccc(N(C)C)c1 ZINC001571313850 946535666 /nfs/dbraw/zinc/53/56/66/946535666.db2.gz XDJFQUPJCJAMJH-ZFWWWQNUSA-N 0 1 392.467 1.465 20 0 GDADMN CC(=O)N[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823989489 946536280 /nfs/dbraw/zinc/53/62/80/946536280.db2.gz ZGYYDLNNWKILSP-QGZVFWFLSA-N 0 1 380.456 1.368 20 0 GDADMN Cc1cc(N[C@@H]2CCC[C@@H]3CN(C(=O)c4cc[nH]c4)C[C@@H]32)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314736 946541924 /nfs/dbraw/zinc/54/19/24/946541924.db2.gz BSDXTAZQTNBWFW-HYVNUMGLSA-N 0 1 392.467 1.673 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314915 946544773 /nfs/dbraw/zinc/54/47/73/946544773.db2.gz DMMNWFZNXKCNQF-SCLBCKFNSA-N 0 1 392.467 1.576 20 0 GDADMN O=C(CCc1ccccn1)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571316754 946587324 /nfs/dbraw/zinc/58/73/24/946587324.db2.gz LMWCAMNWRCCHMP-HNNXBMFYSA-N 0 1 392.467 1.362 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317356 946606200 /nfs/dbraw/zinc/60/62/00/946606200.db2.gz DYLARVJYZKCZBW-PSASIEDQSA-N 0 1 392.876 1.888 20 0 GDADMN Cn1ccc(C(=O)N[C@@H]2CCCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)c1 ZINC001571317717 946618754 /nfs/dbraw/zinc/61/87/54/946618754.db2.gz SFJOENRUAFTZPU-SNVBAGLBSA-N 0 1 392.876 1.714 20 0 GDADMN CC(C)[C@@H](O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571317755 946619571 /nfs/dbraw/zinc/61/95/71/946619571.db2.gz UIBNJNJXRNFKOK-DVOMOZLQSA-N 0 1 392.529 1.662 20 0 GDADMN CC(C)[C@@H](O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571317755 946619578 /nfs/dbraw/zinc/61/95/78/946619578.db2.gz UIBNJNJXRNFKOK-DVOMOZLQSA-N 0 1 392.529 1.662 20 0 GDADMN C[C@@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824564162 946804596 /nfs/dbraw/zinc/80/45/96/946804596.db2.gz SRPTWGMVEHQDGB-QYSRSOONSA-N 0 1 398.492 1.571 20 0 GDADMN C[C@H]1C[C@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824868935 946964223 /nfs/dbraw/zinc/96/42/23/946964223.db2.gz XSPOXVZDTQRJJL-MAUKXSAKSA-N 0 1 384.484 1.716 20 0 GDADMN C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC(C)(C)C1 ZINC000824984981 947023503 /nfs/dbraw/zinc/02/35/03/947023503.db2.gz PZFBGSXVZFXOAB-AWEZNQCLSA-N 0 1 397.483 1.956 20 0 GDADMN CC[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)[N@@H+]1CCc2ccccc2C1 ZINC000825122125 947088595 /nfs/dbraw/zinc/08/85/95/947088595.db2.gz XFIIYKRVFMWFFB-INIZCTEOSA-N 0 1 395.467 1.659 20 0 GDADMN CC[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)[N@H+]1CCc2ccccc2C1 ZINC000825122125 947088606 /nfs/dbraw/zinc/08/86/06/947088606.db2.gz XFIIYKRVFMWFFB-INIZCTEOSA-N 0 1 395.467 1.659 20 0 GDADMN CCCc1nc([C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cc3C)CCO2)n[nH]1 ZINC000825353350 947165106 /nfs/dbraw/zinc/16/51/06/947165106.db2.gz WODPTFRGDVDYRB-CQSZACIVSA-N 0 1 382.428 1.459 20 0 GDADMN CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cc3C)CCO2)n1 ZINC000825353350 947165114 /nfs/dbraw/zinc/16/51/14/947165114.db2.gz WODPTFRGDVDYRB-CQSZACIVSA-N 0 1 382.428 1.459 20 0 GDADMN CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825435396 947189685 /nfs/dbraw/zinc/18/96/85/947189685.db2.gz WSTVFMRFAJLPKY-UHFFFAOYSA-N 0 1 383.456 1.816 20 0 GDADMN CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825435396 947189693 /nfs/dbraw/zinc/18/96/93/947189693.db2.gz WSTVFMRFAJLPKY-UHFFFAOYSA-N 0 1 383.456 1.816 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586194 947279366 /nfs/dbraw/zinc/27/93/66/947279366.db2.gz LNJSHKBRGMZPHT-RYUDHWBXSA-N 0 1 384.419 1.280 20 0 GDADMN C[C@H](C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573592795 947347843 /nfs/dbraw/zinc/34/78/43/947347843.db2.gz MWDLPTIVEZPKEX-CQSZACIVSA-N 0 1 382.472 1.643 20 0 GDADMN C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573594066 947386864 /nfs/dbraw/zinc/38/68/64/947386864.db2.gz WZKACXGLVGOSCG-SECBINFHSA-N 0 1 386.382 1.174 20 0 GDADMN C[C@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573594355 947390774 /nfs/dbraw/zinc/39/07/74/947390774.db2.gz YIABESFUVSQRFX-GUYCJALGSA-N 0 1 385.472 1.504 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826083556 947424329 /nfs/dbraw/zinc/42/43/29/947424329.db2.gz MVZQWFPWEWUXCH-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)c(F)c2)c1-c1nn[n-]n1 ZINC000826083556 947424340 /nfs/dbraw/zinc/42/43/40/947424340.db2.gz MVZQWFPWEWUXCH-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN CC(C(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]cc1-c1nnn[n-]1)=C1CCCC1 ZINC001573596135 947426832 /nfs/dbraw/zinc/42/68/32/947426832.db2.gz IRXUXRPVDVCNGX-OAHLLOKOSA-N 0 1 385.472 1.114 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573596970 947434001 /nfs/dbraw/zinc/43/40/01/947434001.db2.gz MFZXYWARSQEMLR-YOEHRIQHSA-N 0 1 380.456 1.357 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573596967 947434674 /nfs/dbraw/zinc/43/46/74/947434674.db2.gz MFZXYWARSQEMLR-RHSMWYFYSA-N 0 1 380.456 1.357 20 0 GDADMN C[C@@H](C(=O)N(C)CCOCCN(C)c1ccncc1-c1nn[nH]n1)C1CCC1 ZINC001573605757 947534631 /nfs/dbraw/zinc/53/46/31/947534631.db2.gz ZISRGKXOMSMOML-CQSZACIVSA-N 0 1 387.488 1.609 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573614206 947581432 /nfs/dbraw/zinc/58/14/32/947581432.db2.gz DAHLTJCSDMSBKR-ZIAGYGMSSA-N 0 1 381.444 1.004 20 0 GDADMN C[C@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)c1ccco1 ZINC001573615392 947604773 /nfs/dbraw/zinc/60/47/73/947604773.db2.gz DTGWKVCJQSRQJX-ZDUSSCGKSA-N 0 1 381.440 1.731 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573616106 947617907 /nfs/dbraw/zinc/61/79/07/947617907.db2.gz LNIMNVCSLUTUCQ-UONOGXRCSA-N 0 1 381.440 1.731 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618419 947649762 /nfs/dbraw/zinc/64/97/62/947649762.db2.gz SAABLXFCQHBJIF-KGLIPLIRSA-N 0 1 381.444 1.004 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccn1 ZINC001573623375 947684866 /nfs/dbraw/zinc/68/48/66/947684866.db2.gz DWBMHHZFOAMPLO-IUODEOHRSA-N 0 1 384.419 1.154 20 0 GDADMN C/C(=C/C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1)C1CC1 ZINC001573361529 947691832 /nfs/dbraw/zinc/69/18/32/947691832.db2.gz ATTYRMNCKYAJSD-RAXLEYEMSA-N 0 1 390.451 1.663 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573372790 947781565 /nfs/dbraw/zinc/78/15/65/947781565.db2.gz CMNPIEJYSPHLMF-KGLIPLIRSA-N 0 1 386.460 1.019 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573630233 947788855 /nfs/dbraw/zinc/78/88/55/947788855.db2.gz WYJWTSJTZRJFRD-VHSXEESVSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001573630642 947795626 /nfs/dbraw/zinc/79/56/26/947795626.db2.gz RJYNIPPPOUWGBA-BFUOFWGJSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573631461 947801723 /nfs/dbraw/zinc/80/17/23/947801723.db2.gz VIDIIDPWSHOJTE-DZGCQCFKSA-N 0 1 384.488 1.910 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573374572 947809163 /nfs/dbraw/zinc/80/91/63/947809163.db2.gz NZHWPHYZNJMTQK-LJQANCHMSA-N 0 1 383.456 1.450 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573383913 947899825 /nfs/dbraw/zinc/89/98/25/947899825.db2.gz ZTWXGOLLZWOZCM-HNNXBMFYSA-N 0 1 388.447 1.703 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)c1ccco1 ZINC001573648299 947906416 /nfs/dbraw/zinc/90/64/16/947906416.db2.gz YJZIDQWPTMFCDA-MGPQQGTHSA-N 0 1 381.440 1.587 20 0 GDADMN C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(C)(F)F ZINC001573652579 947942435 /nfs/dbraw/zinc/94/24/35/947942435.db2.gz DURUPEKEZCBDHY-PSLIRLAXSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573657808 948002632 /nfs/dbraw/zinc/00/26/32/948002632.db2.gz OVGSWESEUSHUSP-AWEZNQCLSA-N 0 1 380.456 1.800 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346618 948043267 /nfs/dbraw/zinc/04/32/67/948043267.db2.gz QRFMTADUWLKESW-WFASDCNBSA-N 0 1 381.440 1.657 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346618 948043275 /nfs/dbraw/zinc/04/32/75/948043275.db2.gz QRFMTADUWLKESW-WFASDCNBSA-N 0 1 381.440 1.657 20 0 GDADMN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573664076 948045662 /nfs/dbraw/zinc/04/56/62/948045662.db2.gz RUGGVKPQCBYTDB-HIFPTAJRSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573664076 948045672 /nfs/dbraw/zinc/04/56/72/948045672.db2.gz RUGGVKPQCBYTDB-HIFPTAJRSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(C)C ZINC001573664364 948052819 /nfs/dbraw/zinc/05/28/19/948052819.db2.gz UNKAAIVUJGHYLV-STQMWFEESA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573666598 948087607 /nfs/dbraw/zinc/08/76/07/948087607.db2.gz UKMJQRCJSCSGPL-WHXUTIOJSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573666705 948088644 /nfs/dbraw/zinc/08/86/44/948088644.db2.gz VMASKFPRCBDIJR-ZIAGYGMSSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccn1 ZINC001573679032 948158259 /nfs/dbraw/zinc/15/82/59/948158259.db2.gz HQCDSPNKJOCHPS-SMDDNHRTSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccn1 ZINC001573679032 948158265 /nfs/dbraw/zinc/15/82/65/948158265.db2.gz HQCDSPNKJOCHPS-SMDDNHRTSA-N 0 1 386.485 1.370 20 0 GDADMN N=C(NOCCOc1ccccc1-c1nn[nH]n1)[C@H]1COc2ccccc2O1 ZINC000826388333 948194031 /nfs/dbraw/zinc/19/40/31/948194031.db2.gz SCSYUHNEIOGVJK-MRXNPFEDSA-N 0 1 382.380 1.584 20 0 GDADMN Nn1c(CSc2ccccc2)nnc1Sc1nccnc1-c1nn[nH]n1 ZINC000826396493 948207935 /nfs/dbraw/zinc/20/79/35/948207935.db2.gz BALMIRDNWCOXCG-UHFFFAOYSA-N 0 1 384.454 1.406 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573692224 948259558 /nfs/dbraw/zinc/25/95/58/948259558.db2.gz NCOGECLUIKWJOY-RISCZKNCSA-N 0 1 378.452 1.255 20 0 GDADMN C[C@H](C(=O)NC[C@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573696431 948325620 /nfs/dbraw/zinc/32/56/20/948325620.db2.gz QAIYXOUZRVDBAI-HXPMCKFVSA-N 0 1 388.447 1.105 20 0 GDADMN O=C1[C@H](N2CCN(CC3CC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476925 948385803 /nfs/dbraw/zinc/38/58/03/948385803.db2.gz SAEVQDCTDYWKCL-GOSISDBHSA-N 0 1 381.484 1.390 20 0 GDADMN CC(=O)NCC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@H](C)C(=O)[O-] ZINC001602758270 971476748 /nfs/dbraw/zinc/47/67/48/971476748.db2.gz AQWJSGYBGSBQNJ-LLVKDONJSA-N 0 1 380.832 1.844 20 0 GDADMN O[C@@H](CN1CCN(c2nc3ccccn3c2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000826502334 948419709 /nfs/dbraw/zinc/41/97/09/948419709.db2.gz BBKPOCWXEASXDR-INIZCTEOSA-N 0 1 390.451 1.370 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573707498 948433972 /nfs/dbraw/zinc/43/39/72/948433972.db2.gz POEJMUDPJPZVGK-KBPBESRZSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573707498 948433976 /nfs/dbraw/zinc/43/39/76/948433976.db2.gz POEJMUDPJPZVGK-KBPBESRZSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573707498 948433982 /nfs/dbraw/zinc/43/39/82/948433982.db2.gz POEJMUDPJPZVGK-KBPBESRZSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573707498 948433987 /nfs/dbraw/zinc/43/39/87/948433987.db2.gz POEJMUDPJPZVGK-KBPBESRZSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708571 948453446 /nfs/dbraw/zinc/45/34/46/948453446.db2.gz VUMFPHUYPSCVGD-UONOGXRCSA-N 0 1 378.440 1.403 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573714553 948474386 /nfs/dbraw/zinc/47/43/86/948474386.db2.gz ICYIDKKIOPRSSW-CHWSQXEVSA-N 0 1 382.428 1.386 20 0 GDADMN O=C(c1cccnc1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001139852648 948479256 /nfs/dbraw/zinc/47/92/56/948479256.db2.gz PKMQYMUATJGBHX-HDICACEKSA-N 0 1 375.436 1.466 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)c1cccnc1 ZINC001573720234 948532697 /nfs/dbraw/zinc/53/26/97/948532697.db2.gz QBVGADMPQCUEGC-SECBINFHSA-N 0 1 392.876 1.728 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H](C)n1cccc1 ZINC001573731162 948589108 /nfs/dbraw/zinc/58/91/08/948589108.db2.gz DZPAPLDYUKGIIB-IUCAKERBSA-N 0 1 380.865 1.956 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573746472 948682624 /nfs/dbraw/zinc/68/26/24/948682624.db2.gz KCDVYBGVNWJFFV-SRVKXCTJSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](CNC(=O)CCc1cccnc1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574914314 948748346 /nfs/dbraw/zinc/74/83/46/948748346.db2.gz IGAPOFCFIDIQMY-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](CNC(=O)CCc1cccnc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574914314 948748355 /nfs/dbraw/zinc/74/83/55/948748355.db2.gz IGAPOFCFIDIQMY-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574914471 948751119 /nfs/dbraw/zinc/75/11/19/948751119.db2.gz KJIBCPLZPYXNGX-LBPRGKRZSA-N 0 1 384.419 1.370 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccc(F)cc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574915352 948765860 /nfs/dbraw/zinc/76/58/60/948765860.db2.gz RVSVPIKNSDNDLJ-CYBMUJFWSA-N 0 1 383.431 1.620 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001575223447 948767980 /nfs/dbraw/zinc/76/79/80/948767980.db2.gz BKXJIUZKMGAOGQ-CYBMUJFWSA-N 0 1 377.399 1.782 20 0 GDADMN C[C@H](CNC(=O)CCc1cccc(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574915653 948768870 /nfs/dbraw/zinc/76/88/70/948768870.db2.gz WJYIQJLXHQQYKQ-LLVKDONJSA-N 0 1 386.847 1.281 20 0 GDADMN CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001574079670 948774783 /nfs/dbraw/zinc/77/47/83/948774783.db2.gz DTIOGVVHVQYXQK-HNNXBMFYSA-N 0 1 390.467 1.248 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575223918 948775314 /nfs/dbraw/zinc/77/53/14/948775314.db2.gz PIDRMXVHYIWVSP-JTQLQIEISA-N 0 1 378.387 1.177 20 0 GDADMN C[C@H](c1ccccc1)n1cc(NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cn1 ZINC001573755673 948777858 /nfs/dbraw/zinc/77/78/58/948777858.db2.gz SDIMYDRIGCHXDO-NEPJUHHUSA-N 0 1 378.400 1.464 20 0 GDADMN CC(C)[C@H](C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1)[NH+]1CCCC1 ZINC001574679494 948785596 /nfs/dbraw/zinc/78/55/96/948785596.db2.gz WGKRNJNUSNFUKF-CZUORRHYSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@H](C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001574679494 948785611 /nfs/dbraw/zinc/78/56/11/948785611.db2.gz WGKRNJNUSNFUKF-CZUORRHYSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@H](CNC(=O)CCc1cscn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920004 948883858 /nfs/dbraw/zinc/88/38/58/948883858.db2.gz ABTGFHARMNNBBM-LLVKDONJSA-N 0 1 389.460 1.689 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cncnc1 ZINC001574684851 948892342 /nfs/dbraw/zinc/89/23/42/948892342.db2.gz NPRGBAASZSETAH-ZETCQYMHSA-N 0 1 379.837 1.387 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cccn1C ZINC001574685006 948899273 /nfs/dbraw/zinc/89/92/73/948899273.db2.gz QVEMDQPJNMESEJ-MRVPVSSYSA-N 0 1 380.865 1.936 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1CCCCO1 ZINC001574685668 948913537 /nfs/dbraw/zinc/91/35/37/948913537.db2.gz YTPNCXUZFIRCBI-IUCAKERBSA-N 0 1 385.881 1.852 20 0 GDADMN CC(C)c1ncc(CNS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2Cl)[nH]1 ZINC001574428090 948925462 /nfs/dbraw/zinc/92/54/62/948925462.db2.gz ZZVVPGLRLVXOFI-UHFFFAOYSA-N 0 1 381.849 1.845 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1)C1CC1 ZINC001573765989 948929741 /nfs/dbraw/zinc/92/97/41/948929741.db2.gz SEWOTNQDXDXMSN-VLIAUNLRSA-N 0 1 381.484 1.983 20 0 GDADMN CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573771053 948933681 /nfs/dbraw/zinc/93/36/81/948933681.db2.gz AJKCDXSVCWFSJZ-ZJUUUORDSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)(C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573771110 948935277 /nfs/dbraw/zinc/93/52/77/948935277.db2.gz CCEZTPSFNCPHOS-QGZVFWFLSA-N 0 1 392.467 1.363 20 0 GDADMN CC(F)(F)CCC(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575237920 948952510 /nfs/dbraw/zinc/95/25/10/948952510.db2.gz JABTVMDCPVDMQS-UHFFFAOYSA-N 0 1 380.403 1.353 20 0 GDADMN C[C@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574925756 948977951 /nfs/dbraw/zinc/97/79/51/948977951.db2.gz DBQLIPDHIRMQFW-MRVPVSSYSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574925756 948977955 /nfs/dbraw/zinc/97/79/55/948977955.db2.gz DBQLIPDHIRMQFW-MRVPVSSYSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574689562 948987162 /nfs/dbraw/zinc/98/71/62/948987162.db2.gz IULVNXFJMUIPNL-ZDUSSCGKSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574689562 948987175 /nfs/dbraw/zinc/98/71/75/948987175.db2.gz IULVNXFJMUIPNL-ZDUSSCGKSA-N 0 1 387.492 1.228 20 0 GDADMN CC(C)(C(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573773736 948992155 /nfs/dbraw/zinc/99/21/55/948992155.db2.gz GEQWPIUWJNBODO-QMMMGPOBSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)c1n[nH]c2ccccc21 ZINC001574691231 949017610 /nfs/dbraw/zinc/01/76/10/949017610.db2.gz UNSYETGXJRIBQZ-LLVKDONJSA-N 0 1 377.412 1.759 20 0 GDADMN CC(C)(C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573775232 949033130 /nfs/dbraw/zinc/03/31/30/949033130.db2.gz UOAQQSMVVZWQCI-KRWDZBQOSA-N 0 1 392.467 1.363 20 0 GDADMN C[C@@H](Oc1ccccn1)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001575503037 949035759 /nfs/dbraw/zinc/03/57/59/949035759.db2.gz NGAHTFLBMSEUTC-LLVKDONJSA-N 0 1 377.368 1.248 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCC1 ZINC001573780022 949078110 /nfs/dbraw/zinc/07/81/10/949078110.db2.gz PVSURQZGHYKCAT-AWEZNQCLSA-N 0 1 384.488 1.221 20 0 GDADMN CC(C)c1ocnc1C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574446583 949132004 /nfs/dbraw/zinc/13/20/04/949132004.db2.gz RWVUWXWTLGHVHH-GFCCVEGCSA-N 0 1 382.428 1.369 20 0 GDADMN C[C@@H](NC(=O)[C@H](C)n1cccn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251228 949134571 /nfs/dbraw/zinc/13/45/71/949134571.db2.gz MLIVKNOGZFXZQL-NEPJUHHUSA-N 0 1 386.485 1.322 20 0 GDADMN C[C@@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574934134 949151344 /nfs/dbraw/zinc/15/13/44/949151344.db2.gz CBZRVZANDJWZNG-JTQLQIEISA-N 0 1 378.483 1.663 20 0 GDADMN C[C@@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574934134 949151352 /nfs/dbraw/zinc/15/13/52/949151352.db2.gz CBZRVZANDJWZNG-JTQLQIEISA-N 0 1 378.483 1.663 20 0 GDADMN C[C@H](CNC(=O)COc1cccnc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574935080 949192410 /nfs/dbraw/zinc/19/24/10/949192410.db2.gz YMNJTRWIDNCKLZ-GFCCVEGCSA-N 0 1 387.469 1.339 20 0 GDADMN CC(C)c1ocnc1CNC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574449901 949205479 /nfs/dbraw/zinc/20/54/79/949205479.db2.gz VGSKWFWCSVARNI-AULYBMBSSA-N 0 1 384.444 1.604 20 0 GDADMN C[C@H](c1ccccc1F)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001575517340 949227286 /nfs/dbraw/zinc/22/72/86/949227286.db2.gz VDLXJHHQYXEYTQ-RISCZKNCSA-N 0 1 382.403 1.382 20 0 GDADMN CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574103278 949235907 /nfs/dbraw/zinc/23/59/07/949235907.db2.gz PJBDGZSEGKWJSD-AJNGGQMLSA-N 0 1 382.472 1.376 20 0 GDADMN CC(C)(C)C(=O)N1CCC([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001573792153 949239526 /nfs/dbraw/zinc/23/95/26/949239526.db2.gz LXLGQLIXXNTZOU-CQSZACIVSA-N 0 1 384.488 1.768 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@@](CO)(NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573792738 949263646 /nfs/dbraw/zinc/26/36/46/949263646.db2.gz UUCLBDVBDFDNIX-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN CC(C)n1cc(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)cn1 ZINC001574452881 949269659 /nfs/dbraw/zinc/26/96/59/949269659.db2.gz PKCUTZDEIYPEOP-UHFFFAOYSA-N 0 1 381.444 1.438 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703119 949308142 /nfs/dbraw/zinc/30/81/42/949308142.db2.gz RFKPIRYCBMFOKI-ORAYPTAESA-N 0 1 390.463 1.759 20 0 GDADMN CC1=C(C)C[C@@](C)(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575861190 949318565 /nfs/dbraw/zinc/31/85/65/949318565.db2.gz PCXSENSHCCSMFA-LIRRHRJNSA-N 0 1 382.472 1.878 20 0 GDADMN CC(C)n1ccc(C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001574457595 949324577 /nfs/dbraw/zinc/32/45/77/949324577.db2.gz KSXYOFXTDRQEKC-UHFFFAOYSA-N 0 1 382.472 1.848 20 0 GDADMN CC(C)CC(=O)N1CCO[C@@H]([C@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109733 949328178 /nfs/dbraw/zinc/32/81/78/949328178.db2.gz BNNOSHDWMDJBCU-SUMWQHHRSA-N 0 1 390.463 1.757 20 0 GDADMN CC(C)n1ccc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001574458602 949339711 /nfs/dbraw/zinc/33/97/11/949339711.db2.gz UHTHSPWBDIJJDW-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN CC(C)CC(=O)N1CCOC2(CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001574110009 949340921 /nfs/dbraw/zinc/34/09/21/949340921.db2.gz MMDDJMVHJALFAF-UHFFFAOYSA-N 0 1 385.472 1.506 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001574459821 949368733 /nfs/dbraw/zinc/36/87/33/949368733.db2.gz LMIGOPUSXAQZDF-HAQNSBGRSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001574459821 949368754 /nfs/dbraw/zinc/36/87/54/949368754.db2.gz LMIGOPUSXAQZDF-HAQNSBGRSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1ccc(CNC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C2CC2)n1 ZINC001574460699 949378159 /nfs/dbraw/zinc/37/81/59/949378159.db2.gz XZTHUWXHOVGXCW-MRXNPFEDSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263350 949392386 /nfs/dbraw/zinc/39/23/86/949392386.db2.gz GHCCZYMGEWJDLU-NWDGAFQWSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705633 949436482 /nfs/dbraw/zinc/43/64/82/949436482.db2.gz JLEZUSPVHHUHHO-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705633 949436488 /nfs/dbraw/zinc/43/64/88/949436488.db2.gz JLEZUSPVHHUHHO-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575535166 949441121 /nfs/dbraw/zinc/44/11/21/949441121.db2.gz SVKYWTCLXBLRNZ-PXAZEXFGSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575535166 949441132 /nfs/dbraw/zinc/44/11/32/949441132.db2.gz SVKYWTCLXBLRNZ-PXAZEXFGSA-N 0 1 376.486 1.293 20 0 GDADMN CC(C)n1cccc1C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574465740 949446957 /nfs/dbraw/zinc/44/69/57/949446957.db2.gz YHUHQRBPUMURPZ-UHFFFAOYSA-N 0 1 380.456 1.687 20 0 GDADMN CC1(C(=O)N2CCC([C@@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)CC2)CC1 ZINC001575535495 949448310 /nfs/dbraw/zinc/44/83/10/949448310.db2.gz XOQWWANFIQYAFD-CQSZACIVSA-N 0 1 382.472 1.522 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575266097 949467334 /nfs/dbraw/zinc/46/73/34/949467334.db2.gz XDQKHTYYHMWWSE-CHWSQXEVSA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575266097 949467342 /nfs/dbraw/zinc/46/73/42/949467342.db2.gz XDQKHTYYHMWWSE-CHWSQXEVSA-N 0 1 387.492 1.082 20 0 GDADMN C[C@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575266185 949473435 /nfs/dbraw/zinc/47/34/35/949473435.db2.gz XTQDRWTTXYYPHN-VHSXEESVSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574707871 949480783 /nfs/dbraw/zinc/48/07/83/949480783.db2.gz RHVMBRPBXQRSDV-DTWKUNHWSA-N 0 1 385.881 1.805 20 0 GDADMN C[C@H](CNC(=O)Cn1ccc2ccccc21)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574949579 949501563 /nfs/dbraw/zinc/50/15/63/949501563.db2.gz YBHMSLBDEZISIT-CQSZACIVSA-N 0 1 390.451 1.858 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574949828 949515291 /nfs/dbraw/zinc/51/52/91/949515291.db2.gz DWHGLZGUERTISH-KBPBESRZSA-N 0 1 380.456 1.122 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872021 949530403 /nfs/dbraw/zinc/53/04/03/949530403.db2.gz FGNUFILECLMWPV-TZMCWYRMSA-N 0 1 384.488 1.957 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCCO1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575269296 949545705 /nfs/dbraw/zinc/54/57/05/949545705.db2.gz SUYXLXMLGRVLOZ-BLLLJJGKSA-N 0 1 388.447 1.511 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872707 949558561 /nfs/dbraw/zinc/55/85/61/949558561.db2.gz LAYRDGRHIQPOPR-GWMLXNDSSA-N 0 1 382.472 1.711 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573811002 949586999 /nfs/dbraw/zinc/58/69/99/949586999.db2.gz GLBPPTARXPKADW-MIUNTBIASA-N 0 1 390.513 1.585 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573811002 949587014 /nfs/dbraw/zinc/58/70/14/949587014.db2.gz GLBPPTARXPKADW-MIUNTBIASA-N 0 1 390.513 1.585 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnon1 ZINC001573811298 949594775 /nfs/dbraw/zinc/59/47/75/949594775.db2.gz JNTMZQKUQVZNHX-GFCCVEGCSA-N 0 1 376.446 1.246 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnon1 ZINC001573811298 949594791 /nfs/dbraw/zinc/59/47/91/949594791.db2.gz JNTMZQKUQVZNHX-GFCCVEGCSA-N 0 1 376.446 1.246 20 0 GDADMN CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574126036 949601554 /nfs/dbraw/zinc/60/15/54/949601554.db2.gz XCKMGTOYNSMHKK-AWEZNQCLSA-N 0 1 389.504 1.590 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC1(O)CCC1 ZINC001573811588 949604517 /nfs/dbraw/zinc/60/45/17/949604517.db2.gz MCTSJJONXMMVIX-AWEZNQCLSA-N 0 1 392.529 1.854 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC1(O)CCC1 ZINC001573811588 949604528 /nfs/dbraw/zinc/60/45/28/949604528.db2.gz MCTSJJONXMMVIX-AWEZNQCLSA-N 0 1 392.529 1.854 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCOC1 ZINC001573811595 949605641 /nfs/dbraw/zinc/60/56/41/949605641.db2.gz MHFZHCNNOOVTKH-FZMZJTMJSA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCOC1 ZINC001573811595 949605655 /nfs/dbraw/zinc/60/56/55/949605655.db2.gz MHFZHCNNOOVTKH-FZMZJTMJSA-N 0 1 378.502 1.585 20 0 GDADMN C[C@@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574476542 949607382 /nfs/dbraw/zinc/60/73/82/949607382.db2.gz HUZJQDKIBGXGDB-AWEZNQCLSA-N 0 1 380.456 1.745 20 0 GDADMN C[C@@]1(C(=O)N2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575547495 949626315 /nfs/dbraw/zinc/62/63/15/949626315.db2.gz XMSKPGARGBLWPR-IFXJQAMLSA-N 0 1 385.472 1.293 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574715034 949639312 /nfs/dbraw/zinc/63/93/12/949639312.db2.gz ADNALBCAXAFKHH-CHWSQXEVSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574715034 949639324 /nfs/dbraw/zinc/63/93/24/949639324.db2.gz ADNALBCAXAFKHH-CHWSQXEVSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1nccs1 ZINC001576169007 949657348 /nfs/dbraw/zinc/65/73/48/949657348.db2.gz DKYRSVSRWODQHM-RISCZKNCSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001575273261 949659965 /nfs/dbraw/zinc/65/99/65/949659965.db2.gz VCRMHIRDLAWVIU-DTWKUNHWSA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573816156 949669901 /nfs/dbraw/zinc/66/99/01/949669901.db2.gz PEEZQESALNTYTJ-VHSXEESVSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CNc1cccc(F)c1-c1nn[nH]n1 ZINC001574958439 949671356 /nfs/dbraw/zinc/67/13/56/949671356.db2.gz JRVXCRZNGPRVID-IJLUTSLNSA-N 0 1 384.419 1.697 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574958531 949676711 /nfs/dbraw/zinc/67/67/11/949676711.db2.gz SDUIZNHWIIBHKQ-PSJSRTJLSA-N 0 1 384.459 1.892 20 0 GDADMN C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575880917 949709772 /nfs/dbraw/zinc/70/97/72/949709772.db2.gz VVTQOVQKDXYOFC-WFASDCNBSA-N 0 1 385.497 1.968 20 0 GDADMN C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575880917 949709788 /nfs/dbraw/zinc/70/97/88/949709788.db2.gz VVTQOVQKDXYOFC-WFASDCNBSA-N 0 1 385.497 1.968 20 0 GDADMN C[C@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001574479348 949732258 /nfs/dbraw/zinc/73/22/58/949732258.db2.gz DUYXSPZTJMOXQD-SNVBAGLBSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCc1ccns1 ZINC001575881915 949743384 /nfs/dbraw/zinc/74/33/84/949743384.db2.gz DBPPZUPUMWWBRX-SMDDNHRTSA-N 0 1 386.485 1.477 20 0 GDADMN C[C@@H](NC(=O)CCc1ccccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575279526 949783750 /nfs/dbraw/zinc/78/37/50/949783750.db2.gz YNFGKUAANMABPB-OAHLLOKOSA-N 0 1 391.479 1.831 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575281745 949819327 /nfs/dbraw/zinc/81/93/27/949819327.db2.gz AOWPSWZGRTUMNP-IUCAKERBSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575281745 949819346 /nfs/dbraw/zinc/81/93/46/949819346.db2.gz AOWPSWZGRTUMNP-IUCAKERBSA-N 0 1 386.913 1.622 20 0 GDADMN C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574965769 949819454 /nfs/dbraw/zinc/81/94/54/949819454.db2.gz LPGNUHPBLYZJBT-YUELXQCFSA-N 0 1 378.440 1.401 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574965850 949823984 /nfs/dbraw/zinc/82/39/84/949823984.db2.gz NLAMDFMVNULVSJ-SECBINFHSA-N 0 1 375.795 1.707 20 0 GDADMN CC(C)(C)[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CN1CCCC1 ZINC001573823868 949842786 /nfs/dbraw/zinc/84/27/86/949842786.db2.gz ZWSFWUSJEXFGQW-CQSZACIVSA-N 0 1 390.467 1.439 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1cncc(-c2nn[nH]n2)n1 ZINC001576178025 949874050 /nfs/dbraw/zinc/87/40/50/949874050.db2.gz AOQOPBJFYNESPU-BXUZGUMPSA-N 0 1 382.432 1.123 20 0 GDADMN C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575284861 949922865 /nfs/dbraw/zinc/92/28/65/949922865.db2.gz WYVBBRMPASIGIR-WDEREUQCSA-N 0 1 382.428 1.097 20 0 GDADMN C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CC1 ZINC001574487745 949935855 /nfs/dbraw/zinc/93/58/55/949935855.db2.gz BQMZFRUBUXTTRZ-WFASDCNBSA-N 0 1 384.488 1.602 20 0 GDADMN CC1(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)CCCC1 ZINC001575571213 949952187 /nfs/dbraw/zinc/95/21/87/949952187.db2.gz YTNAAIJBKVSYSA-SJORKVTESA-N 0 1 384.484 1.498 20 0 GDADMN CC1(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)CCCC1 ZINC001575571212 949952240 /nfs/dbraw/zinc/95/22/40/949952240.db2.gz YTNAAIJBKVSYSA-IRXDYDNUSA-N 0 1 384.484 1.498 20 0 GDADMN C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574488835 949954723 /nfs/dbraw/zinc/95/47/23/949954723.db2.gz GQIHJNFJJGLSHO-LKFCYVNXSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574489287 949958319 /nfs/dbraw/zinc/95/83/19/949958319.db2.gz IAWRMAQFEFSEMF-ZANVPECISA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574728622 949997167 /nfs/dbraw/zinc/99/71/67/949997167.db2.gz FNZBEMVHSQHSLS-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181482 950007289 /nfs/dbraw/zinc/00/72/89/950007289.db2.gz IMDNRKWSYAOKJP-CHWSQXEVSA-N 0 1 388.451 1.257 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574729615 950021722 /nfs/dbraw/zinc/02/17/22/950021722.db2.gz PDCPZMSREYGRFE-CYBMUJFWSA-N 0 1 392.467 1.069 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574150308 950024262 /nfs/dbraw/zinc/02/42/62/950024262.db2.gz BERLSXTXJMKTKW-ZIAGYGMSSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574150308 950024287 /nfs/dbraw/zinc/02/42/87/950024287.db2.gz BERLSXTXJMKTKW-ZIAGYGMSSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCOC1 ZINC001574150305 950027957 /nfs/dbraw/zinc/02/79/57/950027957.db2.gz BERLSXTXJMKTKW-KBPBESRZSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCOC1 ZINC001574150305 950027978 /nfs/dbraw/zinc/02/79/78/950027978.db2.gz BERLSXTXJMKTKW-KBPBESRZSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182044 950033658 /nfs/dbraw/zinc/03/36/58/950033658.db2.gz KRSNWDUNFWDPEE-CHWSQXEVSA-N 0 1 388.451 1.115 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182382 950049534 /nfs/dbraw/zinc/04/95/34/950049534.db2.gz OHCOSFZFAZOVPE-DYVFJYSZSA-N 0 1 378.440 1.431 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnns1 ZINC001574151068 950055547 /nfs/dbraw/zinc/05/55/47/950055547.db2.gz KMLVAWYKUGCYEY-JTQLQIEISA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnns1 ZINC001574151068 950055567 /nfs/dbraw/zinc/05/55/67/950055567.db2.gz KMLVAWYKUGCYEY-JTQLQIEISA-N 0 1 392.514 1.714 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1cnns1 ZINC001576182830 950065007 /nfs/dbraw/zinc/06/50/07/950065007.db2.gz POZATLBZAFDQLW-IINYFYTJSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574492178 950068102 /nfs/dbraw/zinc/06/81/02/950068102.db2.gz KKQQSQJBUZQRBO-JZIBPQBNSA-N 0 1 382.472 1.709 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001574492287 950071488 /nfs/dbraw/zinc/07/14/88/950071488.db2.gz ABEHDELDMNTXPY-CBAPKCEASA-N 0 1 385.881 1.302 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CC(C)(C)O ZINC001574151655 950089197 /nfs/dbraw/zinc/08/91/97/950089197.db2.gz XGSHXSBZPVPDFM-OAHLLOKOSA-N 0 1 392.479 1.787 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCO1 ZINC001574151648 950090738 /nfs/dbraw/zinc/09/07/38/950090738.db2.gz XAKNEYBCAPSBFF-GFCCVEGCSA-N 0 1 392.485 1.437 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCO1 ZINC001574151648 950090761 /nfs/dbraw/zinc/09/07/61/950090761.db2.gz XAKNEYBCAPSBFF-GFCCVEGCSA-N 0 1 392.485 1.437 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576184431 950127777 /nfs/dbraw/zinc/12/77/77/950127777.db2.gz WJBRWKIPIROPGH-BLLLJJGKSA-N 0 1 381.444 1.150 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734240 950131545 /nfs/dbraw/zinc/13/15/45/950131545.db2.gz LCHFQHOQROPRBQ-AEGPPILISA-N 0 1 378.440 1.141 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001574154688 950174818 /nfs/dbraw/zinc/17/48/18/950174818.db2.gz GATGMYJQICPVRV-KKUMJFAQSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191009 950179944 /nfs/dbraw/zinc/17/99/44/950179944.db2.gz FVISFTJUZUAELH-DZGCQCFKSA-N 0 1 378.440 1.289 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191011 950180176 /nfs/dbraw/zinc/18/01/76/950180176.db2.gz FVISFTJUZUAELH-UKRRQHHQSA-N 0 1 378.440 1.289 20 0 GDADMN C[C@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574494788 950184231 /nfs/dbraw/zinc/18/42/31/950184231.db2.gz OKLSINBXMWCWPY-YPMHNXCESA-N 0 1 382.428 1.172 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574155439 950191344 /nfs/dbraw/zinc/19/13/44/950191344.db2.gz LFINHGYMXGEJTH-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574155439 950191358 /nfs/dbraw/zinc/19/13/58/950191358.db2.gz LFINHGYMXGEJTH-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1ccccc1 ZINC001574155582 950200823 /nfs/dbraw/zinc/20/08/23/950200823.db2.gz OJHMOHCVSZIIBB-HNNXBMFYSA-N 0 1 380.456 1.264 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574496444 950212575 /nfs/dbraw/zinc/21/25/75/950212575.db2.gz WAGCMTPXAMAKNB-CHWSQXEVSA-N 0 1 383.460 1.130 20 0 GDADMN C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574496446 950213334 /nfs/dbraw/zinc/21/33/34/950213334.db2.gz WAGCMTPXAMAKNB-QWHCGFSZSA-N 0 1 383.460 1.130 20 0 GDADMN CC(C)(C)CCC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845093 950214948 /nfs/dbraw/zinc/21/49/48/950214948.db2.gz QHWQYRGWJHULKY-GOSISDBHSA-N 0 1 375.477 1.188 20 0 GDADMN CC(C)(C)CCC[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573845155 950218209 /nfs/dbraw/zinc/21/82/09/950218209.db2.gz SYTTYCDKPVGDEB-SFHVURJKSA-N 0 1 375.477 1.188 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CN[C@@H](C)c1nc(C2CC2)no1 ZINC001574983536 950223086 /nfs/dbraw/zinc/22/30/86/950223086.db2.gz PEJHYYRIANRYQO-UWVGGRQHSA-N 0 1 385.432 1.172 20 0 GDADMN C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574497770 950242941 /nfs/dbraw/zinc/24/29/41/950242941.db2.gz CQIUDNVDCVFCNA-VQCLRJIVSA-N 0 1 392.467 1.579 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001574157718 950251377 /nfs/dbraw/zinc/25/13/77/950251377.db2.gz HHMVPAVSEOOQCE-SOUVJXGZSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)COC1CCCC1 ZINC001574157842 950259518 /nfs/dbraw/zinc/25/95/18/950259518.db2.gz JPOYMKIELIAZOD-CQSZACIVSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@@]1(C(=O)NCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575589205 950259584 /nfs/dbraw/zinc/25/95/84/950259584.db2.gz VVAHCHPRUHUGHE-LJQANCHMSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)C(F)(F)F ZINC001574498098 950261821 /nfs/dbraw/zinc/26/18/21/950261821.db2.gz JXBMWRCNNYJVRM-VIFPVBQESA-N 0 1 384.366 1.118 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)n1cccc1 ZINC001574158038 950266713 /nfs/dbraw/zinc/26/67/13/950266713.db2.gz NDIGEAIXLZGZGP-GJZGRUSLSA-N 0 1 382.472 1.689 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001574498687 950284556 /nfs/dbraw/zinc/28/45/56/950284556.db2.gz PRHPCUXNECEONK-CYBMUJFWSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC001576193939 950324127 /nfs/dbraw/zinc/32/41/27/950324127.db2.gz WOXTVRMCDAOOAC-GUYCJALGSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC001576193939 950324146 /nfs/dbraw/zinc/32/41/46/950324146.db2.gz WOXTVRMCDAOOAC-GUYCJALGSA-N 0 1 384.488 1.252 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCC[C@@H]2CCC(=O)[O-])CC1=O ZINC000263215861 950330926 /nfs/dbraw/zinc/33/09/26/950330926.db2.gz XLVSCSSJJQLWAF-GVDBMIGSSA-N 0 1 379.501 1.565 20 0 GDADMN C[C@]1(C(=O)NCCCCCCNc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575594417 950335237 /nfs/dbraw/zinc/33/52/37/950335237.db2.gz SSFMRNFJOPFOBL-IBGZPJMESA-N 0 1 387.488 1.589 20 0 GDADMN CC1(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[nH]n4)s3)CCCO2)CCC1 ZINC001575597062 950396004 /nfs/dbraw/zinc/39/60/04/950396004.db2.gz XIEWSEYHBQPNER-ZDUSSCGKSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1ccc(F)cc1F ZINC001574747743 950414201 /nfs/dbraw/zinc/41/42/01/950414201.db2.gz WQRKRYJCRINHKL-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574503689 950418973 /nfs/dbraw/zinc/41/89/73/950418973.db2.gz YSWIKIGGLJSZRF-QWHCGFSZSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576203263 950439160 /nfs/dbraw/zinc/43/91/60/950439160.db2.gz FWTXDWXHPKESCB-WLYUNCDWSA-N 0 1 384.488 1.443 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576203263 950439168 /nfs/dbraw/zinc/43/91/68/950439168.db2.gz FWTXDWXHPKESCB-WLYUNCDWSA-N 0 1 384.488 1.443 20 0 GDADMN CC1(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CC(F)(F)C1 ZINC001575605762 950480310 /nfs/dbraw/zinc/48/03/10/950480310.db2.gz SLPAZXDLQKTTOY-AWEZNQCLSA-N 0 1 376.411 1.993 20 0 GDADMN CC(C)(C)OCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001573866543 950504218 /nfs/dbraw/zinc/50/42/18/950504218.db2.gz GZFNRSGWROTFMX-UHFFFAOYSA-N 0 1 390.513 1.778 20 0 GDADMN CC(C)(C)OCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001573866543 950504235 /nfs/dbraw/zinc/50/42/35/950504235.db2.gz GZFNRSGWROTFMX-UHFFFAOYSA-N 0 1 390.513 1.778 20 0 GDADMN CC(C)CCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001574170079 950531815 /nfs/dbraw/zinc/53/18/15/950531815.db2.gz FIWWGNGIGHAFDR-UHFFFAOYSA-N 0 1 392.529 1.808 20 0 GDADMN CC(C)CCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001574170079 950531835 /nfs/dbraw/zinc/53/18/35/950531835.db2.gz FIWWGNGIGHAFDR-UHFFFAOYSA-N 0 1 392.529 1.808 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753820 950543638 /nfs/dbraw/zinc/54/36/38/950543638.db2.gz SXZJNBKMIGIAQK-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573868505 950544002 /nfs/dbraw/zinc/54/40/02/950544002.db2.gz CWSOPIKDYSLLII-KPZWWZAWSA-N 0 1 386.460 1.089 20 0 GDADMN 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/nfs/dbraw/zinc/72/26/42/950722642.db2.gz LKFSUIRNVZKXPH-WMLDXEAASA-N 0 1 377.452 1.718 20 0 GDADMN CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)[nH]n1 ZINC001573880087 950739873 /nfs/dbraw/zinc/73/98/73/950739873.db2.gz RXFHMRIRZGUDTB-LLVKDONJSA-N 0 1 381.444 1.031 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576216679 950740899 /nfs/dbraw/zinc/74/08/99/950740899.db2.gz FEXSYVQRDJFDHD-VXGBXAGGSA-N 0 1 391.426 1.625 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573880265 950744461 /nfs/dbraw/zinc/74/44/61/950744461.db2.gz WZAXTSPAQVZBCY-AAVRWANBSA-N 0 1 384.488 1.600 20 0 GDADMN CC1(C)CC(C(=O)NC2(CO)CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001575630232 950758075 /nfs/dbraw/zinc/75/80/75/950758075.db2.gz ZCYJQLLVNUUEIV-UHFFFAOYSA-N 0 1 385.472 1.145 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574521011 950765282 /nfs/dbraw/zinc/76/52/82/950765282.db2.gz CGQVWQBXVHVDMC-ZWHRIJBZSA-N 0 1 376.486 1.194 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574521011 950765300 /nfs/dbraw/zinc/76/53/00/950765300.db2.gz CGQVWQBXVHVDMC-ZWHRIJBZSA-N 0 1 376.486 1.194 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575928036 950768694 /nfs/dbraw/zinc/76/86/94/950768694.db2.gz XUKPFEIASBLHBA-WBMJQRKESA-N 0 1 391.435 1.334 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC1(O)CCC1 ZINC001574523439 950814270 /nfs/dbraw/zinc/81/42/70/950814270.db2.gz NRNIRPYGUOGUKY-NWDGAFQWSA-N 0 1 378.502 1.606 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574523439 950814291 /nfs/dbraw/zinc/81/42/91/950814291.db2.gz NRNIRPYGUOGUKY-NWDGAFQWSA-N 0 1 378.502 1.606 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574768597 950894746 /nfs/dbraw/zinc/89/47/46/950894746.db2.gz ZSPRMYFVJRHOBC-NSHDSACASA-N 0 1 385.403 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ZINC001575019091 951033161 /nfs/dbraw/zinc/03/31/61/951033161.db2.gz RODFCOXQRMPFCT-GFCCVEGCSA-N 0 1 381.444 1.075 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575022806 951072465 /nfs/dbraw/zinc/07/24/65/951072465.db2.gz JUNBEIUEVZNZHY-GFCCVEGCSA-N 0 1 378.440 1.789 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575023289 951077377 /nfs/dbraw/zinc/07/73/77/951077377.db2.gz MDZZGPSZROIDKF-QMMMGPOBSA-N 0 1 376.783 1.102 20 0 GDADMN CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)cc1 ZINC001575025350 951130693 /nfs/dbraw/zinc/13/06/93/951130693.db2.gz YHXVZIIKTZXFCZ-CYBMUJFWSA-N 0 1 381.440 1.701 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)nc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575025445 951131371 /nfs/dbraw/zinc/13/13/71/951131371.db2.gz ZKVSXJXBPRDQAW-LURJTMIESA-N 0 1 382.812 1.741 20 0 GDADMN CCOC(=O)c1sc(NC(=O)CN2CC[N@@H+](C)C(C)(C)C2)c(C(=O)[O-])c1C ZINC001591466726 951146883 /nfs/dbraw/zinc/14/68/83/951146883.db2.gz LWNVTVCNQRIVKV-UHFFFAOYSA-N 0 1 397.497 1.896 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(C(=O)[O-])c1C ZINC001591466703 951147635 /nfs/dbraw/zinc/14/76/35/951147635.db2.gz KGSHHFOBYSSEQL-JTQLQIEISA-N 0 1 397.453 1.067 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)c(C(=O)[O-])c1C ZINC001591466703 951147640 /nfs/dbraw/zinc/14/76/40/951147640.db2.gz KGSHHFOBYSSEQL-JTQLQIEISA-N 0 1 397.453 1.067 20 0 GDADMN C[C@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027125 951153169 /nfs/dbraw/zinc/15/31/69/951153169.db2.gz PQRBHDRYYDVOQN-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575029747 951189877 /nfs/dbraw/zinc/18/98/77/951189877.db2.gz XEZTVBHSCCIEMD-ZDUSSCGKSA-N 0 1 377.452 1.650 20 0 GDADMN C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575031782 951203303 /nfs/dbraw/zinc/20/33/03/951203303.db2.gz IPZYHDZCFJUQJT-GFCCVEGCSA-N 0 1 378.440 1.789 20 0 GDADMN CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575032293 951220303 /nfs/dbraw/zinc/22/03/03/951220303.db2.gz WLVPFDZSMBVCGE-CYBMUJFWSA-N 0 1 381.440 1.701 20 0 GDADMN C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575032318 951223808 /nfs/dbraw/zinc/22/38/08/951223808.db2.gz XDVJCFXBLYAMHA-SNVBAGLBSA-N 0 1 388.382 1.494 20 0 GDADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC001595019269 951310965 /nfs/dbraw/zinc/31/09/65/951310965.db2.gz PQNFBPXCFRUOFJ-MRXNPFEDSA-N 0 1 379.526 1.969 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575042388 951361506 /nfs/dbraw/zinc/36/15/06/951361506.db2.gz IUKCWYGQANZDRE-LBPRGKRZSA-N 0 1 383.460 1.019 20 0 GDADMN C[C@@H](CNC(=O)c1cncnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575045357 951425662 /nfs/dbraw/zinc/42/56/62/951425662.db2.gz AJZBVZCBMMXCHV-ZETCQYMHSA-N 0 1 379.837 1.245 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575053111 951474962 /nfs/dbraw/zinc/47/49/62/951474962.db2.gz QPXRSXCKBNHHNM-LLVKDONJSA-N 0 1 381.444 1.127 20 0 GDADMN C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575056297 951518943 /nfs/dbraw/zinc/51/89/43/951518943.db2.gz GYCDRSQZGSYZJL-SNVBAGLBSA-N 0 1 385.432 1.197 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575091897 951785362 /nfs/dbraw/zinc/78/53/62/951785362.db2.gz YJMKGZKLZGDHPF-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098500 951823731 /nfs/dbraw/zinc/82/37/31/951823731.db2.gz DRPSVEFASKTZCZ-LBPRGKRZSA-N 0 1 388.501 1.861 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098500 951823734 /nfs/dbraw/zinc/82/37/34/951823734.db2.gz DRPSVEFASKTZCZ-LBPRGKRZSA-N 0 1 388.501 1.861 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099547 951836996 /nfs/dbraw/zinc/83/69/96/951836996.db2.gz MZFFKENCBHFMRI-SNVBAGLBSA-N 0 1 375.433 1.618 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(F)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099547 951837002 /nfs/dbraw/zinc/83/70/02/951837002.db2.gz MZFFKENCBHFMRI-SNVBAGLBSA-N 0 1 375.433 1.618 20 0 GDADMN C[C@H](CNCc1noc2c1CCCC2)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575117402 951979325 /nfs/dbraw/zinc/97/93/25/951979325.db2.gz NOXHYIUCQVLASI-LLVKDONJSA-N 0 1 384.444 1.217 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575145479 952184495 /nfs/dbraw/zinc/18/44/95/952184495.db2.gz YIAOCIDNGXYBMG-ORAYPTAESA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575148198 952203470 /nfs/dbraw/zinc/20/34/70/952203470.db2.gz YUOUXSVXTKMWEH-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001595190889 952280607 /nfs/dbraw/zinc/28/06/07/952280607.db2.gz SOYSRVNGXCXSKK-WNMQOVRZSA-N 0 1 376.236 1.766 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)[O-])CC2)C12CCOCC2 ZINC001602902552 971826049 /nfs/dbraw/zinc/82/60/49/971826049.db2.gz BUUIHJOPXUUICK-JKSUJKDBSA-N 0 1 397.516 1.587 20 0 GDADMN C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001575189376 952455846 /nfs/dbraw/zinc/45/58/46/952455846.db2.gz PDEDIKGXSTXXPZ-CYBMUJFWSA-N 0 1 383.431 1.572 20 0 GDADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N[C@H]3CCOC3(C)C)CC2)o1 ZINC001571116796 952477331 /nfs/dbraw/zinc/47/73/31/952477331.db2.gz CLKSINOCMLLHHY-LBPRGKRZSA-N 0 1 375.433 1.063 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)ns1 ZINC001571116892 952478422 /nfs/dbraw/zinc/47/84/22/952478422.db2.gz FNBPZNAMKKNEHS-SNVBAGLBSA-N 0 1 375.483 1.697 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)ns1 ZINC001571116892 952478427 /nfs/dbraw/zinc/47/84/27/952478427.db2.gz FNBPZNAMKKNEHS-SNVBAGLBSA-N 0 1 375.483 1.697 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575197277 952482133 /nfs/dbraw/zinc/48/21/33/952482133.db2.gz RNBCVEOGPOMSJD-MELADBBJSA-N 0 1 381.440 1.462 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001575197326 952483729 /nfs/dbraw/zinc/48/37/29/952483729.db2.gz UBNSBQFPGHSHPL-YVEFUNNKSA-N 0 1 381.440 1.462 20 0 GDADMN O=C(NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccns1 ZINC001571119877 952496025 /nfs/dbraw/zinc/49/60/25/952496025.db2.gz GEBQJKSSORXXPR-UHFFFAOYSA-N 0 1 375.483 1.683 20 0 GDADMN O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccns1 ZINC001571119877 952496028 /nfs/dbraw/zinc/49/60/28/952496028.db2.gz GEBQJKSSORXXPR-UHFFFAOYSA-N 0 1 375.483 1.683 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1CC(CNc2ncccc2-c2nn[nH]n2)C1 ZINC001575201144 952500925 /nfs/dbraw/zinc/50/09/25/952500925.db2.gz NMTRAMWJMNLBOW-PNESKVBLSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC(Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001575201632 952505152 /nfs/dbraw/zinc/50/51/52/952505152.db2.gz JDSWDMMPBYMDSY-GFCCVEGCSA-N 0 1 381.444 1.267 20 0 GDADMN CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCS(=O)(=O)CC(=O)[O-] ZINC001602904207 971839533 /nfs/dbraw/zinc/83/95/33/971839533.db2.gz QJPVFKQDJPQBDL-CYBMUJFWSA-N 0 1 378.491 1.255 20 0 GDADMN CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCS(=O)(=O)CC(=O)[O-] ZINC001602904207 971839540 /nfs/dbraw/zinc/83/95/40/971839540.db2.gz QJPVFKQDJPQBDL-CYBMUJFWSA-N 0 1 378.491 1.255 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575202014 952510701 /nfs/dbraw/zinc/51/07/01/952510701.db2.gz LYOPKCIRDARVBP-JTQLQIEISA-N 0 1 389.851 1.387 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001575202522 952512772 /nfs/dbraw/zinc/51/27/72/952512772.db2.gz OUSOBVLRLRCSDB-GFCCVEGCSA-N 0 1 386.485 1.174 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001575202523 952513299 /nfs/dbraw/zinc/51/32/99/952513299.db2.gz OUSOBVLRLRCSDB-LBPRGKRZSA-N 0 1 386.485 1.174 20 0 GDADMN O=C(c1ccccc1)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571121934 952523308 /nfs/dbraw/zinc/52/33/08/952523308.db2.gz FLZVPESUAAGLDX-CABCVRRESA-N 0 1 376.424 1.255 20 0 GDADMN CO[C@@H](C)C(=O)N1CC[C@@H](CN(C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571123703 952532591 /nfs/dbraw/zinc/53/25/91/952532591.db2.gz UMYYOIGJWOSHPR-STQMWFEESA-N 0 1 376.436 1.321 20 0 GDADMN O=C(c1cnns1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571124094 952533444 /nfs/dbraw/zinc/53/34/44/952533444.db2.gz YTKYTXBGIIXNOM-VIFPVBQESA-N 0 1 376.471 1.174 20 0 GDADMN O=C(c1cnns1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571124094 952533452 /nfs/dbraw/zinc/53/34/52/952533452.db2.gz YTKYTXBGIIXNOM-VIFPVBQESA-N 0 1 376.471 1.174 20 0 GDADMN C[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001571124174 952534943 /nfs/dbraw/zinc/53/49/43/952534943.db2.gz ACBYYUWTQDJKOL-WZRBSPASSA-N 0 1 377.399 1.496 20 0 GDADMN CC(F)(F)C(=O)NC[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575211167 952544476 /nfs/dbraw/zinc/54/44/76/952544476.db2.gz OMCXNJRINRIOCG-LLVKDONJSA-N 0 1 382.390 1.989 20 0 GDADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1 ZINC001571127392 952555358 /nfs/dbraw/zinc/55/53/58/952555358.db2.gz GFJLNQLXZAGCDW-HOTGVXAUSA-N 0 1 377.452 1.726 20 0 GDADMN Cc1cnccc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571127549 952556693 /nfs/dbraw/zinc/55/66/93/952556693.db2.gz HPQLMDZHTXGKKO-UHFFFAOYSA-N 0 1 377.452 1.918 20 0 GDADMN Cc1cc(C)nc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571128710 952570283 /nfs/dbraw/zinc/57/02/83/952570283.db2.gz WUMJYTBJLCQOEX-QGZVFWFLSA-N 0 1 377.452 1.883 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1CCC1(F)F ZINC001571129499 952575148 /nfs/dbraw/zinc/57/51/48/952575148.db2.gz FEPLXNCBWUXMLY-VHSXEESVSA-N 0 1 378.387 1.033 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3ccncc3)[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134017 952584718 /nfs/dbraw/zinc/58/47/18/952584718.db2.gz BMJGMXLNNHIVPM-DZGCQCFKSA-N 0 1 378.440 1.492 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C)nc1C ZINC001571134330 952588225 /nfs/dbraw/zinc/58/82/25/952588225.db2.gz HNBDNMQDVVACED-ZFWWWQNUSA-N 0 1 378.440 1.411 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134378 952589906 /nfs/dbraw/zinc/58/99/06/952589906.db2.gz HVSHEOVYUOWKKP-HUUCEWRRSA-N 0 1 378.440 1.540 20 0 GDADMN Cc1cc(N[C@@H]2C[C@@H](NC(=O)c3ccc[nH]3)C23CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134464 952590790 /nfs/dbraw/zinc/59/07/90/952590790.db2.gz IKMYOZVZUFGMPF-HZPDHXFCSA-N 0 1 378.440 1.473 20 0 GDADMN Cc1ccccc1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571135033 952598407 /nfs/dbraw/zinc/59/84/07/952598407.db2.gz QKBISKQRTZZEHE-ZIAGYGMSSA-N 0 1 378.440 1.207 20 0 GDADMN Cc1cnc(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571135226 952601332 /nfs/dbraw/zinc/60/13/32/952601332.db2.gz TYWWONQJMVIQIO-UHFFFAOYSA-N 0 1 378.440 1.411 20 0 GDADMN C[C@H]1CN(C(=O)c2ccccn2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571135225 952601649 /nfs/dbraw/zinc/60/16/49/952601649.db2.gz RJQIIMVOKQXSNX-UONOGXRCSA-N 0 1 378.440 1.289 20 0 GDADMN COc1ccc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC001571135914 952610004 /nfs/dbraw/zinc/61/00/04/952610004.db2.gz HTFKLHYNIPVPLY-QGZVFWFLSA-N 0 1 378.436 1.880 20 0 GDADMN Cc1cc(N2CC[C@@H]3CN(C(=O)c4ccoc4)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571140136 952623710 /nfs/dbraw/zinc/62/37/10/952623710.db2.gz AGXMREKZVWKOKE-HIFRSBDPSA-N 0 1 379.424 1.762 20 0 GDADMN O=C(NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1ncccc1[O-] ZINC001571141248 952631601 /nfs/dbraw/zinc/63/16/01/952631601.db2.gz JBTCTIOKUWXMRY-UHFFFAOYSA-N 0 1 379.424 1.266 20 0 GDADMN O=C(c1ccco1)N1CCC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571146963 952655115 /nfs/dbraw/zinc/65/51/15/952655115.db2.gz DTGPHLXXZPYYMY-LJQANCHMSA-N 0 1 379.424 1.987 20 0 GDADMN Cc1cnccc1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571147212 952659048 /nfs/dbraw/zinc/65/90/48/952659048.db2.gz TUSUELMKYKOHFC-UHFFFAOYSA-N 0 1 379.428 1.007 20 0 GDADMN C[C@@H](NC(=O)c1ccnnc1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571147597 952663507 /nfs/dbraw/zinc/66/35/07/952663507.db2.gz OVHZPNDWOMLXDU-OCCSQVGLSA-N 0 1 379.428 1.087 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571153348 952686212 /nfs/dbraw/zinc/68/62/12/952686212.db2.gz PBBSHKQABQXSSH-ZETCQYMHSA-N 0 1 379.837 1.017 20 0 GDADMN O=C(C1CC2(CC2)C1)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571153907 952688755 /nfs/dbraw/zinc/68/87/55/952688755.db2.gz VCZFTYNXDGARTK-UHFFFAOYSA-N 0 1 379.877 1.815 20 0 GDADMN Cc1ccncc1C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571156006 952699709 /nfs/dbraw/zinc/69/97/09/952699709.db2.gz AQKBVAVQAZDQBJ-ZDUSSCGKSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)c3ccon3)C23CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571157884 952708079 /nfs/dbraw/zinc/70/80/79/952708079.db2.gz BKZNHOOPJUNKKF-LSDHHAIUSA-N 0 1 380.412 1.133 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)c3cccnn3)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159661 952721311 /nfs/dbraw/zinc/72/13/11/952721311.db2.gz VLULIJGZSACDHN-OAHLLOKOSA-N 0 1 379.428 1.005 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)o1 ZINC001571159749 952722053 /nfs/dbraw/zinc/72/20/53/952722053.db2.gz ZSOPQFWFPMBFIT-OLZOCXBDSA-N 0 1 380.412 1.157 20 0 GDADMN Cc1cocc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571161280 952731553 /nfs/dbraw/zinc/73/15/53/952731553.db2.gz UEAMOKIBFNCSBR-STQMWFEESA-N 0 1 380.412 1.133 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001571166773 952765352 /nfs/dbraw/zinc/76/53/52/952765352.db2.gz PZMMDMOYWIXBOT-CXAGYDPISA-N 0 1 380.456 1.094 20 0 GDADMN CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CCN(Cc2cccnc2C)C1 ZINC001571167204 952771464 /nfs/dbraw/zinc/77/14/64/952771464.db2.gz YCEQREWCAKTCMW-MRXNPFEDSA-N 0 1 380.456 1.635 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571169384 952772846 /nfs/dbraw/zinc/77/28/46/952772846.db2.gz BCRIWJZLYNKPMJ-CQSZACIVSA-N 0 1 380.456 1.295 20 0 GDADMN Cc1cc(CCC(=O)N2CCC(Nc3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC001571169628 952776214 /nfs/dbraw/zinc/77/62/14/952776214.db2.gz IPMQGNQLCGEUNS-UHFFFAOYSA-N 0 1 380.456 1.934 20 0 GDADMN Cc1cccnc1CN1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC001571169804 952779762 /nfs/dbraw/zinc/77/97/62/952779762.db2.gz NZRNTRVUUBBCHR-DZGCQCFKSA-N 0 1 380.456 1.681 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c(F)c1 ZINC001571178295 952838368 /nfs/dbraw/zinc/83/83/68/952838368.db2.gz FKOBTAYYWQVJNL-ZDUSSCGKSA-N 0 1 381.415 1.705 20 0 GDADMN Cc1cc(N2CCN(C(=O)[C@H](C)Cc3ccco3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179648 952855019 /nfs/dbraw/zinc/85/50/19/952855019.db2.gz HZJXTYDMQRAVGP-CYBMUJFWSA-N 0 1 381.440 1.691 20 0 GDADMN CCCc1cc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]n1 ZINC001571183733 952881909 /nfs/dbraw/zinc/88/19/09/952881909.db2.gz IIBDTNVAMOPCIR-CYBMUJFWSA-N 0 1 381.444 1.254 20 0 GDADMN CC[C@H]1CN(C(=O)c2cc[nH]c2C)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571184022 952886880 /nfs/dbraw/zinc/88/68/80/952886880.db2.gz OOQWVJSHZHZYAM-JSGCOSHPSA-N 0 1 381.444 1.068 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571185753 952903122 /nfs/dbraw/zinc/90/31/22/952903122.db2.gz PDZOZIYPSIISOD-CYBMUJFWSA-N 0 1 381.444 1.282 20 0 GDADMN Cc1nn(C)cc1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571187753 952909879 /nfs/dbraw/zinc/90/98/79/952909879.db2.gz BNJUZYZMBVBSSJ-CYBMUJFWSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1cnc([C@@H](C)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001571187967 952910874 /nfs/dbraw/zinc/91/08/74/952910874.db2.gz DXFJWFRVEKMWCZ-OLZOCXBDSA-N 0 1 381.444 1.249 20 0 GDADMN Cc1cnc([C@@H](C)N2CC[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001571188592 952917246 /nfs/dbraw/zinc/91/72/46/952917246.db2.gz LMWIVAFVEUQYJK-OLZOCXBDSA-N 0 1 381.444 1.106 20 0 GDADMN Cc1cc(N(C)C[C@@H]2CCCN2C(=O)c2ccnn2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188642 952917934 /nfs/dbraw/zinc/91/79/34/952917934.db2.gz MHXAUJHFTFVEDK-ZDUSSCGKSA-N 0 1 381.444 1.045 20 0 GDADMN Cc1cnc(CN[C@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 ZINC001571189526 952931287 /nfs/dbraw/zinc/93/12/87/952931287.db2.gz WUILQGDCGIKLBM-UONOGXRCSA-N 0 1 381.444 1.124 20 0 GDADMN CCc1oncc1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571198962 952995382 /nfs/dbraw/zinc/99/53/82/952995382.db2.gz IVTPLUKFVLDKSB-GFCCVEGCSA-N 0 1 382.428 1.519 20 0 GDADMN CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571199953 953005519 /nfs/dbraw/zinc/00/55/19/953005519.db2.gz FAFLWIMLJBUQBM-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN Cc1cc(N2CCC[C@@H]([C@H](C)NC(=O)c3cnco3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571200151 953007863 /nfs/dbraw/zinc/00/78/63/953007863.db2.gz BCRJJPUZASJBNO-QWHCGFSZSA-N 0 1 382.428 1.593 20 0 GDADMN Cc1cc(C)c(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)o1 ZINC001571201347 953017815 /nfs/dbraw/zinc/01/78/15/953017815.db2.gz KKLQDDOBIAWPDA-UHFFFAOYSA-N 0 1 382.428 1.253 20 0 GDADMN Cc1cnoc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571202406 953025318 /nfs/dbraw/zinc/02/53/18/953025318.db2.gz ULTKVMFPBVOYHR-STQMWFEESA-N 0 1 382.428 1.654 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)c(C)s1 ZINC001571210034 953070161 /nfs/dbraw/zinc/07/01/61/953070161.db2.gz MEEPCRDLZNVCQR-RYUDHWBXSA-N 0 1 382.453 1.438 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571214495 953102651 /nfs/dbraw/zinc/10/26/51/953102651.db2.gz ZYLJSNWQXIKIPK-OCCSQVGLSA-N 0 1 382.472 1.165 20 0 GDADMN O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1ncccc1[O-] ZINC001571216665 953103592 /nfs/dbraw/zinc/10/35/92/953103592.db2.gz AZWNOQVMIQMTIY-JOCQHMNTSA-N 0 1 383.387 1.157 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)C(F)(F)F ZINC001571217001 953105201 /nfs/dbraw/zinc/10/52/01/953105201.db2.gz DSJGQNUMVXXDCJ-OUAUKWLOSA-N 0 1 383.378 1.388 20 0 GDADMN C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001571219325 953124954 /nfs/dbraw/zinc/12/49/54/953124954.db2.gz XMCOPVDFSBTJJO-IUCAKERBSA-N 0 1 382.881 1.084 20 0 GDADMN C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571219325 953124956 /nfs/dbraw/zinc/12/49/56/953124956.db2.gz XMCOPVDFSBTJJO-IUCAKERBSA-N 0 1 382.881 1.084 20 0 GDADMN C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571219325 953124961 /nfs/dbraw/zinc/12/49/61/953124961.db2.gz XMCOPVDFSBTJJO-IUCAKERBSA-N 0 1 382.881 1.084 20 0 GDADMN C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571219325 953124964 /nfs/dbraw/zinc/12/49/64/953124964.db2.gz XMCOPVDFSBTJJO-IUCAKERBSA-N 0 1 382.881 1.084 20 0 GDADMN C[C@@](O)(CN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)c1ccc(F)cc1 ZINC001571230106 953173489 /nfs/dbraw/zinc/17/34/89/953173489.db2.gz RVLADTCATXJPHN-LJQANCHMSA-N 0 1 383.431 1.431 20 0 GDADMN CC[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)O1 ZINC001571231124 953183510 /nfs/dbraw/zinc/18/35/10/953183510.db2.gz SZGCJVCYFKOJCN-BQHCWPDZSA-N 0 1 383.456 1.079 20 0 GDADMN Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571233864 953197046 /nfs/dbraw/zinc/19/70/46/953197046.db2.gz GIGDQUJLUCKISW-ZDUSSCGKSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571233864 953197047 /nfs/dbraw/zinc/19/70/47/953197047.db2.gz GIGDQUJLUCKISW-ZDUSSCGKSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571233864 953197050 /nfs/dbraw/zinc/19/70/50/953197050.db2.gz GIGDQUJLUCKISW-ZDUSSCGKSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571233864 953197052 /nfs/dbraw/zinc/19/70/52/953197052.db2.gz GIGDQUJLUCKISW-ZDUSSCGKSA-N 0 1 383.481 1.884 20 0 GDADMN CN(C)Cc1nc(CNC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)co1 ZINC001571234561 953203273 /nfs/dbraw/zinc/20/32/73/953203273.db2.gz BQKDDBAZWZLMHN-UHFFFAOYSA-N 0 1 383.825 1.348 20 0 GDADMN O=C(C[C@H]1CCCO1)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234650 953204726 /nfs/dbraw/zinc/20/47/26/953204726.db2.gz FGKAZJSNKWVECA-RKDXNWHRSA-N 0 1 383.865 1.559 20 0 GDADMN Cn1cnc(C(=O)N[C@]2(C)CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)c1 ZINC001571241923 953251471 /nfs/dbraw/zinc/25/14/71/953251471.db2.gz PUXITBLFBFEEJT-GOSISDBHSA-N 0 1 384.419 1.134 20 0 GDADMN CCN(C(=O)c1ccncn1)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571244635 953266007 /nfs/dbraw/zinc/26/60/07/953266007.db2.gz CTUPSRSGLCIUEL-LBPRGKRZSA-N 0 1 384.469 1.455 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CNC(=O)c1cnns1 ZINC001571245074 953269969 /nfs/dbraw/zinc/26/99/69/953269969.db2.gz NJXTVNCOEVPDOJ-BXUZGUMPSA-N 0 1 384.469 1.216 20 0 GDADMN Cc1cc(C)c(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)s1 ZINC001571245231 953271422 /nfs/dbraw/zinc/27/14/22/953271422.db2.gz PVQFXQKMJMFHNG-GFCCVEGCSA-N 0 1 384.469 1.734 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001571245429 953273517 /nfs/dbraw/zinc/27/35/17/953273517.db2.gz IGRUGIAATHRQNP-RYUDHWBXSA-N 0 1 384.469 1.347 20 0 GDADMN C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245851 953277456 /nfs/dbraw/zinc/27/74/56/953277456.db2.gz NFMVIMHIKBKJDV-NWDGAFQWSA-N 0 1 384.469 1.350 20 0 GDADMN O=C(N[C@H]1C[C@H](NCc2cscn2)C12CCC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247668 953284416 /nfs/dbraw/zinc/28/44/16/953284416.db2.gz BXNYMCPWRGIHLC-KBPBESRZSA-N 0 1 384.469 1.482 20 0 GDADMN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571249100 953300206 /nfs/dbraw/zinc/30/02/06/953300206.db2.gz DFYYHZQOICZJDP-WBVHZDCISA-N 0 1 384.488 1.539 20 0 GDADMN CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571249100 953300210 /nfs/dbraw/zinc/30/02/10/953300210.db2.gz DFYYHZQOICZJDP-WBVHZDCISA-N 0 1 384.488 1.539 20 0 GDADMN 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598955104 /nfs/dbraw/zinc/95/51/04/598955104.db2.gz GEZTYWUYQGETKC-MRXNPFEDSA-N 0 1 381.488 1.494 20 0 GDADMN CC(C)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)[NH+]1CCN(C)CC1 ZINC000735707086 598955105 /nfs/dbraw/zinc/95/51/05/598955105.db2.gz GEZTYWUYQGETKC-MRXNPFEDSA-N 0 1 381.488 1.494 20 0 GDADMN Cn1c(Sc2c3ccccc3nnc2-c2nn[n-]n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000737594563 598970836 /nfs/dbraw/zinc/97/08/36/598970836.db2.gz YSXDTWMEIBQUFL-SNVBAGLBSA-N 0 1 394.468 1.557 20 0 GDADMN CN(C)Cc1cc(CNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000736771731 599032975 /nfs/dbraw/zinc/03/29/75/599032975.db2.gz PBXUGHPYTDBELA-UHFFFAOYSA-N 0 1 383.431 1.796 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@H](O)c2ccc(C)o2)cc1-c1nn[nH]n1 ZINC000737187324 599056204 /nfs/dbraw/zinc/05/62/04/599056204.db2.gz QFJSBCLOKGWGHN-JTQLQIEISA-N 0 1 376.398 1.054 20 0 GDADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000737739831 599071259 /nfs/dbraw/zinc/07/12/59/599071259.db2.gz KUERXRIAVYTOOM-LNLFQRSKSA-N 0 1 389.463 1.461 20 0 GDADMN NC(=O)[C@H](NCCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737737214 599090239 /nfs/dbraw/zinc/09/02/39/599090239.db2.gz PHSBUFUMJBZZHV-GOSISDBHSA-N 0 1 388.435 1.411 20 0 GDADMN CC(=O)Nc1ccc(CCN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735484114 599097253 /nfs/dbraw/zinc/09/72/53/599097253.db2.gz HLTWIRBSRMBLHL-QGZVFWFLSA-N 0 1 379.424 1.184 20 0 GDADMN C[C@H](NCCC(=O)Nc1sccc1-c1nn[nH]n1)c1nnc2ccccn21 ZINC000736136849 599104550 /nfs/dbraw/zinc/10/45/50/599104550.db2.gz UGSKKZONYDXVEW-JTQLQIEISA-N 0 1 383.441 1.650 20 0 GDADMN CCOC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000736598334 599166896 /nfs/dbraw/zinc/16/68/96/599166896.db2.gz ATDMETLBIFPKER-UHFFFAOYSA-N 0 1 378.186 1.507 20 0 GDADMN O=C(CC1CCOCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737818908 599229303 /nfs/dbraw/zinc/22/93/03/599229303.db2.gz FZGAHTMJUTUTED-UHFFFAOYSA-N 0 1 384.484 1.718 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818009275 597062035 /nfs/dbraw/zinc/06/20/35/597062035.db2.gz ZLAWSIBVVUCZFF-IAGOWNOFSA-N 0 1 389.500 1.488 20 0 GDADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000610897003 597083124 /nfs/dbraw/zinc/08/31/24/597083124.db2.gz SEQDANGHZJXZCJ-GFCCVEGCSA-N 0 1 377.397 1.293 20 0 GDADMN CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000817872149 597084161 /nfs/dbraw/zinc/08/41/61/597084161.db2.gz XKCNMXOENVEMFK-INIZCTEOSA-N 0 1 381.517 1.574 20 0 GDADMN CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)ccc1C ZINC000532712861 597087842 /nfs/dbraw/zinc/08/78/42/597087842.db2.gz YYULZFJTVDQVHM-ZDUSSCGKSA-N 0 1 383.470 1.028 20 0 GDADMN Cc1c(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)cccc1-c1nn[nH]n1 ZINC000822053527 607272323 /nfs/dbraw/zinc/27/23/23/607272323.db2.gz OFKWOHSHZRIFRV-QGZVFWFLSA-N 0 1 393.451 1.533 20 0 GDADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC3(C(=O)[O-])CCCC3)cc2)CC1 ZINC000818207323 597202963 /nfs/dbraw/zinc/20/29/63/597202963.db2.gz AZUAOAFCGMMCHQ-UHFFFAOYSA-N 0 1 388.468 1.983 20 0 GDADMN Cc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cn1 ZINC000822249022 607274840 /nfs/dbraw/zinc/27/48/40/607274840.db2.gz YNKFGFQOMPVNTG-UHFFFAOYSA-N 0 1 395.427 1.790 20 0 GDADMN CC[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C(=O)[O-] ZINC000573844843 597222649 /nfs/dbraw/zinc/22/26/49/597222649.db2.gz MCFIKNLAQFEDTK-XJKCOSOUSA-N 0 1 377.441 1.214 20 0 GDADMN O=C([O-])[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000262668544 597529705 /nfs/dbraw/zinc/52/97/05/597529705.db2.gz QLCUFBSYPNWIBU-ZWNOBZJWSA-N 0 1 385.342 1.699 20 0 GDADMN O=C([O-])[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000262668544 597529707 /nfs/dbraw/zinc/52/97/07/597529707.db2.gz QLCUFBSYPNWIBU-ZWNOBZJWSA-N 0 1 385.342 1.699 20 0 GDADMN CC(=O)NCC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H](C)C(=O)[O-] ZINC000263386325 597675050 /nfs/dbraw/zinc/67/50/50/597675050.db2.gz CYGAIPCLOWXZOB-SECBINFHSA-N 0 1 387.230 1.589 20 0 GDADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000821530726 598067553 /nfs/dbraw/zinc/06/75/53/598067553.db2.gz HRXROKYZFUBOFK-DOTOQJQBSA-N 0 1 392.427 1.770 20 0 GDADMN CC(C)CCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000735820266 598252007 /nfs/dbraw/zinc/25/20/07/598252007.db2.gz RLRNTMDYHWMXLN-UHFFFAOYSA-N 0 1 395.489 1.230 20 0 GDADMN O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000738356229 598269402 /nfs/dbraw/zinc/26/94/02/598269402.db2.gz ZITGMAOWWXXHBJ-UHFFFAOYSA-N 0 1 391.501 1.148 20 0 GDADMN O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000738356229 598269403 /nfs/dbraw/zinc/26/94/03/598269403.db2.gz ZITGMAOWWXXHBJ-UHFFFAOYSA-N 0 1 391.501 1.148 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2ccc3c(c2)CCO3)cc1-c1nn[nH]n1 ZINC000737188100 598288409 /nfs/dbraw/zinc/28/84/09/598288409.db2.gz YSKYRENLWDDFKB-UHFFFAOYSA-N 0 1 384.421 1.554 20 0 GDADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)OCc1cccc(-c2nn[nH]n2)c1 ZINC000737845920 598377491 /nfs/dbraw/zinc/37/74/91/598377491.db2.gz BHKYEKFFCSMJSG-UHFFFAOYSA-N 0 1 391.391 1.606 20 0 GDADMN Fc1ccc(N2CC[C@H]([NH2+]Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C2)c(F)c1 ZINC000737658020 598389923 /nfs/dbraw/zinc/38/99/23/598389923.db2.gz BRQNMNJAQTVEJZ-ZDUSSCGKSA-N 0 1 397.393 1.556 20 0 GDADMN Fc1ccc(N2CC[C@H]([NH2+]Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C2)c(F)c1 ZINC000737658020 598389924 /nfs/dbraw/zinc/38/99/24/598389924.db2.gz BRQNMNJAQTVEJZ-ZDUSSCGKSA-N 0 1 397.393 1.556 20 0 GDADMN O=C(NCc1cocn1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738124448 598473592 /nfs/dbraw/zinc/47/35/92/598473592.db2.gz NWHOKVLXVNUDRP-UHFFFAOYSA-N 0 1 382.428 1.272 20 0 GDADMN c1nn2cc(C[NH2+]C[C@@H]3CCN(c4ccccc4)C3)cnc2c1-c1nnn[n-]1 ZINC000738436089 598494050 /nfs/dbraw/zinc/49/40/50/598494050.db2.gz PCGSIYRHODURMU-AWEZNQCLSA-N 0 1 375.440 1.526 20 0 GDADMN c1nn2cc(C[NH2+]C[C@@H]3CCN(c4ccccc4)C3)cnc2c1-c1nn[n-]n1 ZINC000738436089 598494051 /nfs/dbraw/zinc/49/40/51/598494051.db2.gz PCGSIYRHODURMU-AWEZNQCLSA-N 0 1 375.440 1.526 20 0 GDADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000737486826 598503096 /nfs/dbraw/zinc/50/30/96/598503096.db2.gz FKDCZIIJQHQTQJ-NSHDSACASA-N 0 1 397.487 1.058 20 0 GDADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000737486826 598503098 /nfs/dbraw/zinc/50/30/98/598503098.db2.gz FKDCZIIJQHQTQJ-NSHDSACASA-N 0 1 397.487 1.058 20 0 GDADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000737486826 598503100 /nfs/dbraw/zinc/50/31/00/598503100.db2.gz FKDCZIIJQHQTQJ-NSHDSACASA-N 0 1 397.487 1.058 20 0 GDADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000737486826 598503102 /nfs/dbraw/zinc/50/31/02/598503102.db2.gz FKDCZIIJQHQTQJ-NSHDSACASA-N 0 1 397.487 1.058 20 0 GDADMN COc1ccccc1CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000737152694 598504292 /nfs/dbraw/zinc/50/42/92/598504292.db2.gz NOMFQXXIBVLJGE-UHFFFAOYSA-N 0 1 390.403 1.507 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCc2sc(C)nc2C)cc1-c1nn[nH]n1 ZINC000737186065 598512893 /nfs/dbraw/zinc/51/28/93/598512893.db2.gz FQXSMUPQCYHNKO-UHFFFAOYSA-N 0 1 391.482 1.735 20 0 GDADMN C[C@@H]1C[C@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736241403 598528613 /nfs/dbraw/zinc/52/86/13/598528613.db2.gz XORYVVWEDPNPEU-GHMZBOCLSA-N 0 1 384.400 1.355 20 0 GDADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1cccc(-c2nn[nH]n2)c1 ZINC000736117635 598621330 /nfs/dbraw/zinc/62/13/30/598621330.db2.gz RGLWVWHPHCDQEH-NSHDSACASA-N 0 1 391.391 1.605 20 0 GDADMN O=C1CCCc2cc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)ccc2N1 ZINC000738306008 598663658 /nfs/dbraw/zinc/66/36/58/598663658.db2.gz XOSGEKPJNCYFIL-UHFFFAOYSA-N 0 1 384.421 1.942 20 0 GDADMN C[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)N1CCCC[C@@H]1C ZINC000736267902 598689655 /nfs/dbraw/zinc/68/96/55/598689655.db2.gz QJQPFGJKPSXHKX-NWDGAFQWSA-N 0 1 382.465 1.547 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1-c1nn[nH]n1 ZINC000737186130 598700411 /nfs/dbraw/zinc/70/04/11/598700411.db2.gz HSPUARJQVXZMKG-GFCCVEGCSA-N 0 1 386.441 1.400 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)N(C)Cc1ccccc1 ZINC000736025312 598710700 /nfs/dbraw/zinc/71/07/00/598710700.db2.gz FYRQSKIFLYMJQQ-AWEZNQCLSA-N 0 1 386.481 1.666 20 0 GDADMN O=C(/C=C/C1CCOCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737799748 598755239 /nfs/dbraw/zinc/75/52/39/598755239.db2.gz WGAXYTJUPSJVTA-QPJJXVBHSA-N 0 1 396.495 1.884 20 0 GDADMN O=C1[C@@H](N2CCC[C@H](C3OCCO3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289593 598764078 /nfs/dbraw/zinc/76/40/78/598764078.db2.gz JGYOKBYZTOBMNI-HOCLYGCPSA-N 0 1 384.440 1.057 20 0 GDADMN COC[C@@H](C)CNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736973057 598777581 /nfs/dbraw/zinc/77/75/81/598777581.db2.gz ZPAWYKXPGUYWFG-HNNXBMFYSA-N 0 1 387.488 1.367 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2cnn(C(C)C)c2)cc1-c1nn[nH]n1 ZINC000737188056 598779696 /nfs/dbraw/zinc/77/96/96/598779696.db2.gz XBVPFSOVEJKUIP-VIFPVBQESA-N 0 1 388.457 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/nfs/dbraw/zinc/17/88/45/606178845.db2.gz SYBYABDRHYIONJ-XLIONFOSSA-N 0 1 382.468 1.865 20 0 GDADMN Cc1nc([C@H]2CN(c3c(-c4nn[nH]n4)cnc4c(C)cc(F)cc43)CCO2)n[nH]1 ZINC000822419081 606198849 /nfs/dbraw/zinc/19/88/49/606198849.db2.gz LUEBEQRFUGYMCI-CQSZACIVSA-N 0 1 395.402 1.867 20 0 GDADMN COc1ccccc1[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N1CCCC1 ZINC000821883512 606245301 /nfs/dbraw/zinc/24/53/01/606245301.db2.gz WSOKNYCIDVKSFA-MRXNPFEDSA-N 0 1 381.440 1.770 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000823460706 606267546 /nfs/dbraw/zinc/26/75/46/606267546.db2.gz RUGYHEFOSPQFGR-UHFFFAOYSA-N 0 1 389.423 2.000 20 0 GDADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000821253860 606276930 /nfs/dbraw/zinc/27/69/30/606276930.db2.gz IMURCCPIYALUMC-CABCVRRESA-N 0 1 399.499 1.602 20 0 GDADMN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821253860 606276932 /nfs/dbraw/zinc/27/69/32/606276932.db2.gz IMURCCPIYALUMC-CABCVRRESA-N 0 1 399.499 1.602 20 0 GDADMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821253860 606276934 /nfs/dbraw/zinc/27/69/34/606276934.db2.gz IMURCCPIYALUMC-CABCVRRESA-N 0 1 399.499 1.602 20 0 GDADMN COC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)c1 ZINC000821670221 606337602 /nfs/dbraw/zinc/33/76/02/606337602.db2.gz SCWAFWHABSCAAD-UHFFFAOYSA-N 0 1 375.366 1.160 20 0 GDADMN CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000821583408 606395219 /nfs/dbraw/zinc/39/52/19/606395219.db2.gz UOCGVCYRNFGUHB-MRXNPFEDSA-N 0 1 397.414 1.363 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000821587159 606577793 /nfs/dbraw/zinc/57/77/93/606577793.db2.gz JOXMFZWPTGQWPA-UHFFFAOYSA-N 0 1 375.462 1.257 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000821587159 606577795 /nfs/dbraw/zinc/57/77/95/606577795.db2.gz JOXMFZWPTGQWPA-UHFFFAOYSA-N 0 1 375.462 1.257 20 0 GDADMN O=C(N1CCNCC1)N1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000530174743 649967493 /nfs/dbraw/zinc/96/74/93/649967493.db2.gz AGJFRYUXLXQFCL-UHFFFAOYSA-N 0 1 395.305 1.264 20 0 GDADMN COC(=O)CCC1CCN([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000821660666 606612439 /nfs/dbraw/zinc/61/24/39/606612439.db2.gz ZHLCEGJUAIJENZ-CYBMUJFWSA-N 0 1 386.456 1.859 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857643 606699295 /nfs/dbraw/zinc/69/92/95/606699295.db2.gz TUWZVRMZJRUKIW-LBPRGKRZSA-N 0 1 389.508 1.216 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857643 606699297 /nfs/dbraw/zinc/69/92/97/606699297.db2.gz TUWZVRMZJRUKIW-LBPRGKRZSA-N 0 1 389.508 1.216 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1cccc(Cl)c1 ZINC000821600373 606700443 /nfs/dbraw/zinc/70/04/43/606700443.db2.gz JSGCIBRBJXLJBO-UHFFFAOYSA-N 0 1 376.852 1.769 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1cccc(Cl)c1 ZINC000821600373 606700444 /nfs/dbraw/zinc/70/04/44/606700444.db2.gz JSGCIBRBJXLJBO-UHFFFAOYSA-N 0 1 376.852 1.769 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1cccc(Cl)c1 ZINC000821600373 606700445 /nfs/dbraw/zinc/70/04/45/606700445.db2.gz JSGCIBRBJXLJBO-UHFFFAOYSA-N 0 1 376.852 1.769 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1cccc(Cl)c1 ZINC000821600373 606700446 /nfs/dbraw/zinc/70/04/46/606700446.db2.gz JSGCIBRBJXLJBO-UHFFFAOYSA-N 0 1 376.852 1.769 20 0 GDADMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000821587088 606746020 /nfs/dbraw/zinc/74/60/20/606746020.db2.gz GBOXJEUREBGKOA-UHFFFAOYSA-N 0 1 394.432 1.351 20 0 GDADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000821652513 606755312 /nfs/dbraw/zinc/75/53/12/606755312.db2.gz UNVZCGJYJSCQFB-CABCVRRESA-N 0 1 382.428 1.387 20 0 GDADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000821652513 606755314 /nfs/dbraw/zinc/75/53/14/606755314.db2.gz UNVZCGJYJSCQFB-CABCVRRESA-N 0 1 382.428 1.387 20 0 GDADMN Cc1n[nH]c([C@@H]2CCCN([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)n1 ZINC000822437162 606756008 /nfs/dbraw/zinc/75/60/08/606756008.db2.gz XFAJNVRDVVNERQ-GDBMZVCRSA-N 0 1 393.455 1.278 20 0 GDADMN CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821592523 606792742 /nfs/dbraw/zinc/79/27/42/606792742.db2.gz JRXQKBCWBGHXBI-KRWDZBQOSA-N 0 1 398.492 1.762 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1-c1nn[nH]n1 ZINC000821979513 606817361 /nfs/dbraw/zinc/81/73/61/606817361.db2.gz SNTUHYMDTZFAOY-BDJLRTHQSA-N 0 1 378.458 1.360 20 0 GDADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000821607526 606824092 /nfs/dbraw/zinc/82/40/92/606824092.db2.gz SGJXQFFPFDISBH-UHFFFAOYSA-N 0 1 393.234 1.994 20 0 GDADMN CN(CCCOc1ccc(F)cc1)C(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000821600703 606825213 /nfs/dbraw/zinc/82/52/13/606825213.db2.gz ZLXRGMKKPCQEKJ-UHFFFAOYSA-N 0 1 386.387 1.095 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819939686 606855197 /nfs/dbraw/zinc/85/51/97/606855197.db2.gz IFKDZYQHYGLOHF-CVEARBPZSA-N 0 1 388.472 1.889 20 0 GDADMN CN(C)[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccco1 ZINC000821581198 606882762 /nfs/dbraw/zinc/88/27/62/606882762.db2.gz FRQBCIGSMWCXTC-GFCCVEGCSA-N 0 1 398.395 1.319 20 0 GDADMN Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822709969 606886547 /nfs/dbraw/zinc/88/65/47/606886547.db2.gz SRLPLIQSGRXXTI-GFCCVEGCSA-N 0 1 395.395 1.234 20 0 GDADMN O=S(=O)(N[C@H]1COc2ccccc2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573503 606887396 /nfs/dbraw/zinc/88/73/96/606887396.db2.gz VMHQXXFWHFFEJZ-LLVKDONJSA-N 0 1 393.375 1.427 20 0 GDADMN Cc1nc(C(C)(C)NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)no1 ZINC000822424633 606888883 /nfs/dbraw/zinc/88/88/83/606888883.db2.gz YACXGKZBOBTZDX-UHFFFAOYSA-N 0 1 385.356 1.050 20 0 GDADMN CCN1CCCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000821267323 607049378 /nfs/dbraw/zinc/04/93/78/607049378.db2.gz MLRGKRKAPSRASM-SFHVURJKSA-N 0 1 399.499 1.641 20 0 GDADMN CCOc1ccnc(N2CCCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)n1 ZINC000821438293 607149815 /nfs/dbraw/zinc/14/98/15/607149815.db2.gz XXBPQCCWXFZRQA-UHFFFAOYSA-N 0 1 398.446 1.907 20 0 GDADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000823160551 607192180 /nfs/dbraw/zinc/19/21/80/607192180.db2.gz CUJZBTDQRLDZDN-OALUTQOASA-N 0 1 392.463 1.480 20 0 GDADMN Cc1nc(-c2ccc([C@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)cs1 ZINC000822419623 607206816 /nfs/dbraw/zinc/20/68/16/607206816.db2.gz RPLXCCINZHJIFL-JTQLQIEISA-N 0 1 395.452 1.768 20 0 GDADMN Cc1nc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)sc1Cc1ccccc1 ZINC000822449477 607209076 /nfs/dbraw/zinc/20/90/76/607209076.db2.gz BBCSBSKLZPARKJ-UHFFFAOYSA-N 0 1 381.425 1.453 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1COc1ccccc1 ZINC000823136257 607209705 /nfs/dbraw/zinc/20/97/05/607209705.db2.gz QVORKLVILJMKQO-UHFFFAOYSA-N 0 1 376.380 1.676 20 0 GDADMN Cc1ccccc1CN(Cc1ccccn1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822356430 607214412 /nfs/dbraw/zinc/21/44/12/607214412.db2.gz RYTDTLPAGQCUQO-UHFFFAOYSA-N 0 1 389.423 1.391 20 0 GDADMN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821678239 607218320 /nfs/dbraw/zinc/21/83/20/607218320.db2.gz LNDXBMPTTNOQKP-TVQRCGJNSA-N 0 1 376.808 1.004 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823126960 607222432 /nfs/dbraw/zinc/22/24/32/607222432.db2.gz OUHCVYIJGIXRGE-LJQANCHMSA-N 0 1 378.440 1.355 20 0 GDADMN CC(C)(C)[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(F)cc1F ZINC000819897887 607222631 /nfs/dbraw/zinc/22/26/31/607222631.db2.gz ASEHMBDHYHTOFX-CYBMUJFWSA-N 0 1 376.371 1.640 20 0 GDADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(O[C@H](C)CC(C)C)c1 ZINC000822237236 607223059 /nfs/dbraw/zinc/22/30/59/607223059.db2.gz KXRYGLQTIBOHKP-CQSZACIVSA-N 0 1 398.471 1.896 20 0 GDADMN CCN1CCCC[C@@H]1C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000821268097 607230578 /nfs/dbraw/zinc/23/05/78/607230578.db2.gz SMDHLGOHWVBOFD-MRXNPFEDSA-N 0 1 380.456 1.747 20 0 GDADMN COCc1ccccc1CNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826165345 607814805 /nfs/dbraw/zinc/81/48/05/607814805.db2.gz QKAUCAMYWSALQC-UHFFFAOYSA-N 0 1 387.465 1.577 20 0 GDADMN COc1cc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1C ZINC000826179648 607815478 /nfs/dbraw/zinc/81/54/78/607815478.db2.gz XUGBYGXQZTWRQJ-UHFFFAOYSA-N 0 1 387.465 1.747 20 0 GDADMN Fc1ccc(F)c2c1ncc(-c1nn[nH]n1)c2N1CCN([C@@H]2CCOC2)CC1 ZINC000826375215 607848858 /nfs/dbraw/zinc/84/88/58/607848858.db2.gz DFOJPOCTGVPTAW-LLVKDONJSA-N 0 1 387.394 1.604 20 0 GDADMN C[C@](O)(CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000824670617 607881193 /nfs/dbraw/zinc/88/11/93/607881193.db2.gz SLVOTCISNHBZGE-FQEVSTJZSA-N 0 1 384.484 1.452 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]3COCC[C@H]32)cc1-c1nn[nH]n1 ZINC000826229914 607928775 /nfs/dbraw/zinc/92/87/75/607928775.db2.gz WRTFMQRIPBRUOC-BXKDBHETSA-N 0 1 376.442 1.330 20 0 GDADMN CN(C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)c1ccccn1 ZINC000825866344 607970422 /nfs/dbraw/zinc/97/04/22/607970422.db2.gz WOXUBGMXAZGRMM-UHFFFAOYSA-N 0 1 387.469 1.014 20 0 GDADMN O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488919 607971417 /nfs/dbraw/zinc/97/14/17/607971417.db2.gz CLXVVAPGZBUWGU-KBPBESRZSA-N 0 1 393.375 1.082 20 0 GDADMN CN1CC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC000826029590 607973243 /nfs/dbraw/zinc/97/32/43/607973243.db2.gz UMXSDDAXURBTCX-MSOLQXFVSA-N 0 1 398.492 1.732 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000826077686 608019660 /nfs/dbraw/zinc/01/96/60/608019660.db2.gz QPIKHTUOJXLBCL-KGLIPLIRSA-N 0 1 396.455 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000826077686 608019661 /nfs/dbraw/zinc/01/96/61/608019661.db2.gz QPIKHTUOJXLBCL-KGLIPLIRSA-N 0 1 396.455 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(cc(F)cc3C)[nH]2)c1-c1nnn[n-]1 ZINC000826077729 608019756 /nfs/dbraw/zinc/01/97/56/608019756.db2.gz SEWWZINIUDNMQV-UHFFFAOYSA-N 0 1 397.418 1.923 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(cc(F)cc3C)[nH]2)c1-c1nn[n-]n1 ZINC000826077729 608019757 /nfs/dbraw/zinc/01/97/57/608019757.db2.gz SEWWZINIUDNMQV-UHFFFAOYSA-N 0 1 397.418 1.923 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2ccccc2OC)c1-c1nnn[n-]1 ZINC000826077870 608020091 /nfs/dbraw/zinc/02/00/91/608020091.db2.gz YDJKZRMWTYEJHI-QXMHVHEDSA-N 0 1 396.455 1.792 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000826077870 608020092 /nfs/dbraw/zinc/02/00/92/608020092.db2.gz YDJKZRMWTYEJHI-QXMHVHEDSA-N 0 1 396.455 1.792 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077653 608020534 /nfs/dbraw/zinc/02/05/34/608020534.db2.gz PMKLAJVTFDBWQV-CYBMUJFWSA-N 0 1 380.456 1.800 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077653 608020535 /nfs/dbraw/zinc/02/05/35/608020535.db2.gz PMKLAJVTFDBWQV-CYBMUJFWSA-N 0 1 380.456 1.800 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826083748 608021052 /nfs/dbraw/zinc/02/10/52/608021052.db2.gz PPKCSFABAAFCFH-UHFFFAOYSA-N 0 1 398.399 1.657 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826083748 608021053 /nfs/dbraw/zinc/02/10/53/608021053.db2.gz PPKCSFABAAFCFH-UHFFFAOYSA-N 0 1 398.399 1.657 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(C(C)C)n2)c1-c1nnn[n-]1 ZINC000826083351 608021496 /nfs/dbraw/zinc/02/14/96/608021496.db2.gz JGYUEHKLJRTCOL-UHFFFAOYSA-N 0 1 375.462 1.574 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(C(C)C)n2)c1-c1nn[n-]n1 ZINC000826083351 608021497 /nfs/dbraw/zinc/02/14/97/608021497.db2.gz JGYUEHKLJRTCOL-UHFFFAOYSA-N 0 1 375.462 1.574 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2cccnc2)c1-c1nnn[n-]1 ZINC000826077155 608021762 /nfs/dbraw/zinc/02/17/62/608021762.db2.gz BLYUARGXEDQREU-UHFFFAOYSA-N 0 1 387.473 1.009 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2cccnc2)c1-c1nn[n-]n1 ZINC000826077155 608021763 /nfs/dbraw/zinc/02/17/63/608021763.db2.gz BLYUARGXEDQREU-UHFFFAOYSA-N 0 1 387.473 1.009 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2occc2Br)c1-c1nnn[n-]1 ZINC000826083570 608022379 /nfs/dbraw/zinc/02/23/79/608022379.db2.gz NCZKNXQCTRSKKL-UHFFFAOYSA-N 0 1 395.221 1.350 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2occc2Br)c1-c1nn[n-]n1 ZINC000826083570 608022380 /nfs/dbraw/zinc/02/23/80/608022380.db2.gz NCZKNXQCTRSKKL-UHFFFAOYSA-N 0 1 395.221 1.350 20 0 GDADMN C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824992224 608150869 /nfs/dbraw/zinc/15/08/69/608150869.db2.gz KWNXWDMMPRDSLB-JSGCOSHPSA-N 0 1 376.896 1.377 20 0 GDADMN C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824992224 608150870 /nfs/dbraw/zinc/15/08/70/608150870.db2.gz KWNXWDMMPRDSLB-JSGCOSHPSA-N 0 1 376.896 1.377 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000826175892 608202656 /nfs/dbraw/zinc/20/26/56/608202656.db2.gz UGMLBVNTFGYHRO-KGLIPLIRSA-N 0 1 388.472 1.585 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826470155 608206409 /nfs/dbraw/zinc/20/64/09/608206409.db2.gz FQMUNWCXDUFDGL-CQSZACIVSA-N 0 1 375.396 1.957 20 0 GDADMN O=C([C@@H]1CC12CC[NH+](Cc1ccnc(-c3nnn[n-]3)c1)CC2)N1CCCCC1 ZINC000826397521 608212842 /nfs/dbraw/zinc/21/28/42/608212842.db2.gz FTQJVEJOAMCHRB-INIZCTEOSA-N 0 1 381.484 1.876 20 0 GDADMN O=C([C@@H]1CC12CC[NH+](Cc1ccnc(-c3nn[n-]n3)c1)CC2)N1CCCCC1 ZINC000826397521 608212843 /nfs/dbraw/zinc/21/28/43/608212843.db2.gz FTQJVEJOAMCHRB-INIZCTEOSA-N 0 1 381.484 1.876 20 0 GDADMN O=C(CCN1CCN2C(=O)CC[C@@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407323 608258912 /nfs/dbraw/zinc/25/89/12/608258912.db2.gz JEJVLDWDNKGFCI-GFCCVEGCSA-N 0 1 389.847 1.155 20 0 GDADMN CS[C@H](C)CCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826225443 608292623 /nfs/dbraw/zinc/29/26/23/608292623.db2.gz CGODPOXOBGVTJF-LLVKDONJSA-N 0 1 391.501 1.912 20 0 GDADMN CCCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cc(C)cnc1N ZINC000825331955 608292643 /nfs/dbraw/zinc/29/26/43/608292643.db2.gz DHYSAJWQFDUQHP-UHFFFAOYSA-N 0 1 388.457 1.775 20 0 GDADMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1nn(C)cc1-c1nn[nH]n1 ZINC000824976094 608306473 /nfs/dbraw/zinc/30/64/73/608306473.db2.gz MVBYAFAOJCLXFA-UONOGXRCSA-N 0 1 395.471 1.727 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1-c1nnn[n-]1 ZINC000826332491 608313368 /nfs/dbraw/zinc/31/33/68/608313368.db2.gz WAUPTUBDYBROIM-HNNXBMFYSA-N 0 1 395.467 1.946 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1-c1nnn[n-]1 ZINC000826332491 608313370 /nfs/dbraw/zinc/31/33/70/608313370.db2.gz WAUPTUBDYBROIM-HNNXBMFYSA-N 0 1 395.467 1.946 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1-c1nn[n-]n1 ZINC000826332491 608313371 /nfs/dbraw/zinc/31/33/71/608313371.db2.gz WAUPTUBDYBROIM-HNNXBMFYSA-N 0 1 395.467 1.946 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1-c1nn[n-]n1 ZINC000826332491 608313373 /nfs/dbraw/zinc/31/33/73/608313373.db2.gz WAUPTUBDYBROIM-HNNXBMFYSA-N 0 1 395.467 1.946 20 0 GDADMN CCC[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CCN1CCOC ZINC000825255572 608313879 /nfs/dbraw/zinc/31/38/79/608313879.db2.gz XOQHZCSOHFLLNZ-FVNWOWOISA-N 0 1 384.484 1.839 20 0 GDADMN Cn1cc([C@@H](O)C[C@H]2CCCN2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826360176 608376631 /nfs/dbraw/zinc/37/66/31/608376631.db2.gz ZVTQFPCHKOTOSR-SJORKVTESA-N 0 1 396.455 1.127 20 0 GDADMN CCC[C@@H]1CN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825254763 608383568 /nfs/dbraw/zinc/38/35/68/608383568.db2.gz UKXFAKBZZAEEMI-QGZVFWFLSA-N 0 1 387.488 1.238 20 0 GDADMN CCC[C@H]1CN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825254762 608383659 /nfs/dbraw/zinc/38/36/59/608383659.db2.gz UKXFAKBZZAEEMI-KRWDZBQOSA-N 0 1 387.488 1.238 20 0 GDADMN Cc1oc(NC(=O)[C@@H](C)N2CCC3(CCC[N@@H+]3C)CC2)c(-c2nn[n-]n2)c1C ZINC000826341527 608384381 /nfs/dbraw/zinc/38/43/81/608384381.db2.gz JPYFQBMQZJDJKC-CYBMUJFWSA-N 0 1 387.488 1.964 20 0 GDADMN Cc1oc(NC(=O)[C@@H](C)N2CCC3(CCC[N@H+]3C)CC2)c(-c2nn[n-]n2)c1C ZINC000826341527 608384383 /nfs/dbraw/zinc/38/43/83/608384383.db2.gz JPYFQBMQZJDJKC-CYBMUJFWSA-N 0 1 387.488 1.964 20 0 GDADMN Cc1cccc(N2CC[NH+](CCCCNc3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826298896 608397126 /nfs/dbraw/zinc/39/71/26/608397126.db2.gz JZRQZKXYWBREAL-UHFFFAOYSA-N 0 1 393.499 1.979 20 0 GDADMN Cc1cccc(N2CC[NH+](CCCCNc3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826298896 608397128 /nfs/dbraw/zinc/39/71/28/608397128.db2.gz JZRQZKXYWBREAL-UHFFFAOYSA-N 0 1 393.499 1.979 20 0 GDADMN Cn1nccc1Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000826366424 608397609 /nfs/dbraw/zinc/39/76/09/608397609.db2.gz HGTBSOSGMOJKBD-UHFFFAOYSA-N 0 1 386.213 1.726 20 0 GDADMN O=S(=O)(CCN[C@@H](CCO)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484472 608432929 /nfs/dbraw/zinc/43/29/29/608432929.db2.gz FBNDRWBUPWLGHF-KRWDZBQOSA-N 0 1 387.465 1.354 20 0 GDADMN CC(C)(NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)C(=O)NCC1CCCC1 ZINC000824168230 608458041 /nfs/dbraw/zinc/45/80/41/608458041.db2.gz YLCLPURXDBHAPC-UHFFFAOYSA-N 0 1 399.499 1.158 20 0 GDADMN COCc1ccc(CNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826164564 608459745 /nfs/dbraw/zinc/45/97/45/608459745.db2.gz GZNQYHIREXHFHX-AWEZNQCLSA-N 0 1 380.452 1.980 20 0 GDADMN Fc1ccc(N2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826375669 608563280 /nfs/dbraw/zinc/56/32/80/608563280.db2.gz XQQIRDRGEVOCSA-UHFFFAOYSA-N 0 1 383.431 1.992 20 0 GDADMN C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C[C@H]1O ZINC000824985099 608586855 /nfs/dbraw/zinc/58/68/55/608586855.db2.gz ROIBFHYWCIYLPA-DGCLKSJQSA-N 0 1 390.513 1.838 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C[C@H]1O ZINC000824985099 608586857 /nfs/dbraw/zinc/58/68/57/608586857.db2.gz ROIBFHYWCIYLPA-DGCLKSJQSA-N 0 1 390.513 1.838 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826424927 608588958 /nfs/dbraw/zinc/58/89/58/608588958.db2.gz ISYLAFGQUHTMJF-SNVBAGLBSA-N 0 1 384.297 1.407 20 0 GDADMN O=C(c1cccc(-c2nn[nH]n2)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000826473631 609171036 /nfs/dbraw/zinc/17/10/36/609171036.db2.gz HDQNDWXJWXMKAB-UHFFFAOYSA-N 0 1 384.484 1.831 20 0 GDADMN C[C@@H](CS(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000530605036 649979791 /nfs/dbraw/zinc/97/97/91/649979791.db2.gz YURQHROOCPORNH-QMMMGPOBSA-N 0 1 387.259 1.853 20 0 GDADMN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825326391 609264978 /nfs/dbraw/zinc/26/49/78/609264978.db2.gz CUAHXYRJPKLLCB-IAGOWNOFSA-N 0 1 397.483 1.353 20 0 GDADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCN2C2CC2)c1 ZINC000826215788 609337401 /nfs/dbraw/zinc/33/74/01/609337401.db2.gz YVQBNKYPLRTXFM-FUHWJXTLSA-N 0 1 393.451 1.911 20 0 GDADMN O=C(Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000826458609 609365169 /nfs/dbraw/zinc/36/51/69/609365169.db2.gz XZOKXZMPBUPDRB-GFCCVEGCSA-N 0 1 397.418 1.503 20 0 GDADMN O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000826458609 609365173 /nfs/dbraw/zinc/36/51/73/609365173.db2.gz XZOKXZMPBUPDRB-GFCCVEGCSA-N 0 1 397.418 1.503 20 0 GDADMN O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000826458609 609365176 /nfs/dbraw/zinc/36/51/76/609365176.db2.gz XZOKXZMPBUPDRB-GFCCVEGCSA-N 0 1 397.418 1.503 20 0 GDADMN COCCC[C@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826155468 609367057 /nfs/dbraw/zinc/36/70/57/609367057.db2.gz RFDOBBJHLZWNQA-INIZCTEOSA-N 0 1 386.500 1.964 20 0 GDADMN NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000826392576 609526622 /nfs/dbraw/zinc/52/66/22/609526622.db2.gz DLWNGRPUPWIMJV-UHFFFAOYSA-N 0 1 393.816 1.812 20 0 GDADMN CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cccc(Br)c1O ZINC000530922321 649984588 /nfs/dbraw/zinc/98/45/88/649984588.db2.gz IDXXFYGRLUNZNE-SECBINFHSA-N 0 1 377.260 1.309 20 0 GDADMN O=C(NCc1cc[nH]n1)c1c[nH]c2ccc(I)cc2c1=O ZINC000533254878 650047857 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C[C@H](NC(=O)c1cn[nH]c1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571271359 945641980 /nfs/dbraw/zinc/64/19/80/945641980.db2.gz AVUGFPKXRKOMCP-RYUDHWBXSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@H](NC(=O)c1cn[nH]c1)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571271359 945641986 /nfs/dbraw/zinc/64/19/86/945641986.db2.gz AVUGFPKXRKOMCP-RYUDHWBXSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@H](NC(=O)c1cn[nH]c1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571271359 945641989 /nfs/dbraw/zinc/64/19/89/945641989.db2.gz AVUGFPKXRKOMCP-RYUDHWBXSA-N 0 1 386.485 1.682 20 0 GDADMN CCn1cnc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571271395 945642705 /nfs/dbraw/zinc/64/27/05/945642705.db2.gz BJSASMYDFKBNGK-WCQYABFASA-N 0 1 386.485 1.395 20 0 GDADMN CCn1cnc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571271395 945642708 /nfs/dbraw/zinc/64/27/08/945642708.db2.gz BJSASMYDFKBNGK-WCQYABFASA-N 0 1 386.485 1.395 20 0 GDADMN CCCc1nc(CN[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cs1 ZINC001571271556 945645231 /nfs/dbraw/zinc/64/52/31/945645231.db2.gz DJYSPMWEYCKFRA-XYPYZODXSA-N 0 1 386.485 1.654 20 0 GDADMN Cc1nc[nH]c1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272109 945656480 /nfs/dbraw/zinc/65/64/80/945656480.db2.gz PMNATUYUSLJVQJ-GFCCVEGCSA-N 0 1 386.485 1.602 20 0 GDADMN Cc1nc[nH]c1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272109 945656488 /nfs/dbraw/zinc/65/64/88/945656488.db2.gz PMNATUYUSLJVQJ-GFCCVEGCSA-N 0 1 386.485 1.602 20 0 GDADMN Cc1nc[nH]c1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272109 945656495 /nfs/dbraw/zinc/65/64/95/945656495.db2.gz PMNATUYUSLJVQJ-GFCCVEGCSA-N 0 1 386.485 1.602 20 0 GDADMN Cc1nc[nH]c1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272109 945656501 /nfs/dbraw/zinc/65/65/01/945656501.db2.gz PMNATUYUSLJVQJ-GFCCVEGCSA-N 0 1 386.485 1.602 20 0 GDADMN O=C(Cn1cccn1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272352 945659363 /nfs/dbraw/zinc/65/93/63/945659363.db2.gz SOEIUIRQLQKRRM-CYBMUJFWSA-N 0 1 386.485 1.153 20 0 GDADMN O=C(Cn1cccn1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272352 945659371 /nfs/dbraw/zinc/65/93/71/945659371.db2.gz SOEIUIRQLQKRRM-CYBMUJFWSA-N 0 1 386.485 1.153 20 0 GDADMN O=C(Cn1cccn1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272353 945659797 /nfs/dbraw/zinc/65/97/97/945659797.db2.gz SOEIUIRQLQKRRM-ZDUSSCGKSA-N 0 1 386.485 1.153 20 0 GDADMN O=C(Cn1cccn1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272353 945659802 /nfs/dbraw/zinc/65/98/02/945659802.db2.gz SOEIUIRQLQKRRM-ZDUSSCGKSA-N 0 1 386.485 1.153 20 0 GDADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2)CC1 ZINC000821277227 945664799 /nfs/dbraw/zinc/66/47/99/945664799.db2.gz SCUBIAIATKOENC-UHFFFAOYSA-N 0 1 393.451 1.967 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001571278496 945753350 /nfs/dbraw/zinc/75/33/50/945753350.db2.gz OGJSPKXPBGODEO-VQIMIIECSA-N 0 1 386.456 1.135 20 0 GDADMN COc1ccc(CN2CCC[C@H](NC(=O)[C@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC001571278953 945765412 /nfs/dbraw/zinc/76/54/12/945765412.db2.gz SMEGAJGIGIDBED-WMLDXEAASA-N 0 1 386.456 1.135 20 0 GDADMN Cc1nnc(CN[C@@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571281134 945796769 /nfs/dbraw/zinc/79/67/69/945796769.db2.gz CNVNKRSRGLGSRM-NEPJUHHUSA-N 0 1 387.473 1.186 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001571282951 945868979 /nfs/dbraw/zinc/86/89/79/945868979.db2.gz WNKJSPVHLLFGIW-XBRIKIQZSA-N 0 1 387.447 1.329 20 0 GDADMN CCC(CC)C(=O)N1CCC(O)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571283220 945881535 /nfs/dbraw/zinc/88/15/35/945881535.db2.gz CCEGEKMAUZQQQA-UHFFFAOYSA-N 0 1 387.488 1.194 20 0 GDADMN Cc1cc(C(=O)N(C)[C@H]2CCN(c3ncc(-c4nn[nH]n4)cc3Cl)C2)n[nH]1 ZINC001571285207 945909927 /nfs/dbraw/zinc/90/99/27/945909927.db2.gz ZLSDLHPYNJZGAB-NSHDSACASA-N 0 1 387.835 1.298 20 0 GDADMN CC[C@H](C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1)[NH+](C)C ZINC001571285209 945911372 /nfs/dbraw/zinc/91/13/72/945911372.db2.gz ZMPXZDVFWUPSPY-DZGCQCFKSA-N 0 1 387.492 1.098 20 0 GDADMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@@H](CO)C2)c1-c1nn[nH]n1 ZINC000822016060 945920687 /nfs/dbraw/zinc/92/06/87/945920687.db2.gz UKCHTQDWJHTFOF-OAHLLOKOSA-N 0 1 395.467 1.527 20 0 GDADMN O=C(NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C(F)F)c1 ZINC001571285852 945930106 /nfs/dbraw/zinc/93/01/06/945930106.db2.gz PQGBVAFXVPDHTK-UHFFFAOYSA-N 0 1 388.382 1.320 20 0 GDADMN CN(C(=O)C[C@H]1CCOC1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288923 945996387 /nfs/dbraw/zinc/99/63/87/945996387.db2.gz UNCNMCCMQRYSMD-HUUCEWRRSA-N 0 1 388.447 1.465 20 0 GDADMN COc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)o1 ZINC001571289924 946022989 /nfs/dbraw/zinc/02/29/89/946022989.db2.gz PWMIHWBYYIKLBH-LLVKDONJSA-N 0 1 388.453 1.924 20 0 GDADMN COc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)o1 ZINC001571289924 946023005 /nfs/dbraw/zinc/02/30/05/946023005.db2.gz PWMIHWBYYIKLBH-LLVKDONJSA-N 0 1 388.453 1.924 20 0 GDADMN COC(=O)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@H]([C@H]2CCCO2)C1 ZINC001571293827 946119083 /nfs/dbraw/zinc/11/90/83/946119083.db2.gz SSJYUIDOAZRGGV-XOKHGSTOSA-N 0 1 389.431 1.938 20 0 GDADMN Cc1cccnc1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571295216 946156943 /nfs/dbraw/zinc/15/69/43/946156943.db2.gz QEQWOBFQYCUDSY-UHFFFAOYSA-N 0 1 389.463 1.918 20 0 GDADMN CC(C)CN(Cc1ccc(S(N)(=O)=O)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571297855 946198049 /nfs/dbraw/zinc/19/80/49/946198049.db2.gz BJOCMNZNQUJKHJ-UHFFFAOYSA-N 0 1 390.469 1.765 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571300234 946278985 /nfs/dbraw/zinc/27/89/85/946278985.db2.gz XNRQRBWXDXLRKO-MGPQQGTHSA-N 0 1 390.513 1.539 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2CCCOC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571300234 946278993 /nfs/dbraw/zinc/27/89/93/946278993.db2.gz XNRQRBWXDXLRKO-MGPQQGTHSA-N 0 1 390.513 1.539 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571301872 946286024 /nfs/dbraw/zinc/28/60/24/946286024.db2.gz GNFHZHGNMSGAMY-VXGBXAGGSA-N 0 1 391.426 1.625 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000823126922 946323443 /nfs/dbraw/zinc/32/34/43/946323443.db2.gz NUOAYELOQJFEKG-LBPRGKRZSA-N 0 1 390.354 1.253 20 0 GDADMN Cc1cc(C(=O)N2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)CC2)cnn1 ZINC001571305853 946378489 /nfs/dbraw/zinc/37/84/89/946378489.db2.gz LYZVFHQNRCNGDJ-UHFFFAOYSA-N 0 1 391.848 1.037 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571307547 946422445 /nfs/dbraw/zinc/42/24/45/946422445.db2.gz DPCWWZKNJUCWFC-QWRGUYRKSA-N 0 1 392.414 1.163 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001571308046 946429985 /nfs/dbraw/zinc/42/99/85/946429985.db2.gz KQGPPZXXBFWPDV-KGLIPLIRSA-N 0 1 392.410 1.563 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001571308046 946429990 /nfs/dbraw/zinc/42/99/90/946429990.db2.gz KQGPPZXXBFWPDV-KGLIPLIRSA-N 0 1 392.410 1.563 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCCC1(F)F ZINC001571309519 946447197 /nfs/dbraw/zinc/44/71/97/946447197.db2.gz CIKJBPDUNVBLKE-RYUDHWBXSA-N 0 1 392.414 1.567 20 0 GDADMN CCc1ccnc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571312778 946501346 /nfs/dbraw/zinc/50/13/46/946501346.db2.gz CWRBEWVENVACGL-OAHLLOKOSA-N 0 1 392.467 1.878 20 0 GDADMN CN(C)c1ccnc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571313231 946516403 /nfs/dbraw/zinc/51/64/03/946516403.db2.gz KLMAMPHXZWVBKR-MRXNPFEDSA-N 0 1 392.467 1.332 20 0 GDADMN Cc1cc(C)cc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c1 ZINC001571316024 946563415 /nfs/dbraw/zinc/56/34/15/946563415.db2.gz SAKZKCXUUMKQHC-ZBFHGGJFSA-N 0 1 392.467 1.339 20 0 GDADMN Cc1ccc(CC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)cn1 ZINC001571316195 946569986 /nfs/dbraw/zinc/56/99/86/946569986.db2.gz WANWKQNXSKIAND-GOEBONIOSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)C(C)(C)c3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316304 946570744 /nfs/dbraw/zinc/57/07/44/946570744.db2.gz YSQBUEQSNYFSGO-OAHLLOKOSA-N 0 1 392.467 1.638 20 0 GDADMN Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316637 946584643 /nfs/dbraw/zinc/58/46/43/946584643.db2.gz IYIPIAUNUCHGHG-LSDHHAIUSA-N 0 1 392.467 1.854 20 0 GDADMN CCc1[nH]ccc1C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571317315 946607132 /nfs/dbraw/zinc/60/71/32/946607132.db2.gz CDEQQFODDXZBMN-QMMMGPOBSA-N 0 1 392.876 1.876 20 0 GDADMN C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C1CCC1 ZINC000824489009 946736899 /nfs/dbraw/zinc/73/68/99/946736899.db2.gz IBCCIESLIJMRIJ-NSHDSACASA-N 0 1 386.460 1.752 20 0 GDADMN C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1)c1nnc[nH]1 ZINC000824506056 946752720 /nfs/dbraw/zinc/75/27/20/946752720.db2.gz KHRZBRSLCHQHRH-QMMMGPOBSA-N 0 1 399.806 1.707 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573593945 947382127 /nfs/dbraw/zinc/38/21/27/947382127.db2.gz NRCBSMNELBTZRL-LRVUVFPRSA-N 0 1 384.488 1.696 20 0 GDADMN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573599235 947452065 /nfs/dbraw/zinc/45/20/65/947452065.db2.gz WLVYWGMXIWVWMN-GFCCVEGCSA-N 0 1 389.489 1.061 20 0 GDADMN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573599235 947452076 /nfs/dbraw/zinc/45/20/76/947452076.db2.gz WLVYWGMXIWVWMN-GFCCVEGCSA-N 0 1 389.489 1.061 20 0 GDADMN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001573599235 947452088 /nfs/dbraw/zinc/45/20/88/947452088.db2.gz WLVYWGMXIWVWMN-GFCCVEGCSA-N 0 1 389.489 1.061 20 0 GDADMN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001573599235 947452098 /nfs/dbraw/zinc/45/20/98/947452098.db2.gz WLVYWGMXIWVWMN-GFCCVEGCSA-N 0 1 389.489 1.061 20 0 GDADMN C[C@@H](C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1)c1ccc(F)cc1F ZINC001573603642 947494427 /nfs/dbraw/zinc/49/44/27/947494427.db2.gz IXDQZGMBSIHKBQ-LLVKDONJSA-N 0 1 387.394 1.636 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573615479 947605048 /nfs/dbraw/zinc/60/50/48/947605048.db2.gz RQDLTNQGTZTRNI-LPEHRKFASA-N 0 1 382.350 1.035 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)c1ccco1 ZINC001573616160 947617634 /nfs/dbraw/zinc/61/76/34/947617634.db2.gz VOTHRYADVAUIGS-WCQYABFASA-N 0 1 382.428 1.124 20 0 GDADMN C=Cc1ccc(C(=O)N[C@H](C)C[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573354402 947632041 /nfs/dbraw/zinc/63/20/41/947632041.db2.gz BTDLLFHOHOGDBK-QWHCGFSZSA-N 0 1 378.440 1.731 20 0 GDADMN C[C@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573617900 947642726 /nfs/dbraw/zinc/64/27/26/947642726.db2.gz QGBNZLHSXRKLRL-KUHUBIRLSA-N 0 1 380.456 1.397 20 0 GDADMN C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573619442 947664730 /nfs/dbraw/zinc/66/47/30/947664730.db2.gz WGMOLHJCTXZUEO-GFCCVEGCSA-N 0 1 382.428 1.126 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573367471 947760365 /nfs/dbraw/zinc/76/03/65/947760365.db2.gz DAYCNZGRUJHZQD-BLLLJJGKSA-N 0 1 388.447 1.844 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573628813 947765856 /nfs/dbraw/zinc/76/58/56/947765856.db2.gz KITZWLBOBPYFPU-XIKOKIGWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573628813 947765862 /nfs/dbraw/zinc/76/58/62/947765862.db2.gz KITZWLBOBPYFPU-XIKOKIGWSA-N 0 1 390.513 1.417 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573368306 947767484 /nfs/dbraw/zinc/76/74/84/947767484.db2.gz MMCSRLKHAAAUJJ-SJKOYZFVSA-N 0 1 388.447 1.702 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573372862 947785106 /nfs/dbraw/zinc/78/51/06/947785106.db2.gz DYVHBZFRPVVUHA-GJZGRUSLSA-N 0 1 385.472 1.482 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573630814 947796842 /nfs/dbraw/zinc/79/68/42/947796842.db2.gz SOQAGQPOBHEWPT-CABCVRRESA-N 0 1 392.467 1.533 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573376147 947832045 /nfs/dbraw/zinc/83/20/45/947832045.db2.gz RYIHECQXXZMPIO-KRWDZBQOSA-N 0 1 385.472 1.530 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573638141 947833731 /nfs/dbraw/zinc/83/37/31/947833731.db2.gz GGGFEPDMMMVNAJ-OLZOCXBDSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573638141 947833736 /nfs/dbraw/zinc/83/37/36/947833736.db2.gz GGGFEPDMMMVNAJ-OLZOCXBDSA-N 0 1 386.485 1.467 20 0 GDADMN CC(=O)CCCC(=O)N[C@@](C)(CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573377370 947848181 /nfs/dbraw/zinc/84/81/81/947848181.db2.gz LGCZOUZCTOSDFI-IBGZPJMESA-N 0 1 385.472 1.448 20 0 GDADMN C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)(C)C ZINC001573644070 947867152 /nfs/dbraw/zinc/86/71/52/947867152.db2.gz XTFJOHBFTNCDCT-OLZOCXBDSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)(C)C ZINC001573644070 947867159 /nfs/dbraw/zinc/86/71/59/947867159.db2.gz XTFJOHBFTNCDCT-OLZOCXBDSA-N 0 1 392.529 1.927 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573380943 947867456 /nfs/dbraw/zinc/86/74/56/947867456.db2.gz KSZHRDOTLLUWMD-VIFPVBQESA-N 0 1 383.865 1.431 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1(C)C ZINC001573381374 947872489 /nfs/dbraw/zinc/87/24/89/947872489.db2.gz UKTONNWQWJXABN-INIZCTEOSA-N 0 1 385.472 1.660 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573647198 947887637 /nfs/dbraw/zinc/88/76/37/947887637.db2.gz DQMQNZBFLUIWAZ-GMTAPVOTSA-N 0 1 398.393 1.174 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573384525 947904772 /nfs/dbraw/zinc/90/47/72/947904772.db2.gz QJGPOOYBWOKHAS-KYZUINATSA-N 0 1 383.865 1.795 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1)n1cccc1 ZINC001573650658 947911774 /nfs/dbraw/zinc/91/17/74/947911774.db2.gz CQKANEMGBQCVBZ-MDOVXXIYSA-N 0 1 392.467 1.609 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1-c1nnn[n-]1 ZINC000826344255 948004831 /nfs/dbraw/zinc/00/48/31/948004831.db2.gz BQOPWMYEHSBMSL-HNNXBMFYSA-N 0 1 387.488 1.676 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1-c1nn[n-]n1 ZINC000826344255 948004842 /nfs/dbraw/zinc/00/48/42/948004842.db2.gz BQOPWMYEHSBMSL-HNNXBMFYSA-N 0 1 387.488 1.676 20 0 GDADMN C[C@H](C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573663746 948042159 /nfs/dbraw/zinc/04/21/59/948042159.db2.gz PGPLUCRJLXYGIU-XOBRGWDASA-N 0 1 384.484 1.356 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826347453 948052875 /nfs/dbraw/zinc/05/28/75/948052875.db2.gz ROHKXEAUSGLBLK-HNNXBMFYSA-N 0 1 381.440 1.486 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826347453 948052882 /nfs/dbraw/zinc/05/28/82/948052882.db2.gz ROHKXEAUSGLBLK-HNNXBMFYSA-N 0 1 381.440 1.486 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347453 948052889 /nfs/dbraw/zinc/05/28/89/948052889.db2.gz ROHKXEAUSGLBLK-HNNXBMFYSA-N 0 1 381.440 1.486 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347453 948052898 /nfs/dbraw/zinc/05/28/98/948052898.db2.gz ROHKXEAUSGLBLK-HNNXBMFYSA-N 0 1 381.440 1.486 20 0 GDADMN CC(C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1)=C1CCC1 ZINC001573665003 948064128 /nfs/dbraw/zinc/06/41/28/948064128.db2.gz ZQLJNAWPHGNLSF-UHFFFAOYSA-N 0 1 382.472 1.810 20 0 GDADMN C[C@@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573666673 948088916 /nfs/dbraw/zinc/08/89/16/948088916.db2.gz VGNYTYAQVZBHLM-IDKOKCKLSA-N 0 1 384.366 1.116 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573666864 948092025 /nfs/dbraw/zinc/09/20/25/948092025.db2.gz WXWPWNNZQQBSOV-CHWSQXEVSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573672204 948109584 /nfs/dbraw/zinc/10/95/84/948109584.db2.gz IENFEVIORQDZRU-AAEUAGOBSA-N 0 1 386.485 1.156 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573673798 948115341 /nfs/dbraw/zinc/11/53/41/948115341.db2.gz LHYWQMJHZLYUMK-CABCVRRESA-N 0 1 384.488 1.221 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573673799 948115636 /nfs/dbraw/zinc/11/56/36/948115636.db2.gz LHYWQMJHZLYUMK-GJZGRUSLSA-N 0 1 384.488 1.221 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)n1cccc1 ZINC001573676225 948125500 /nfs/dbraw/zinc/12/55/00/948125500.db2.gz SPWDJBYSXHEKSU-VHSXEESVSA-N 0 1 392.876 1.734 20 0 GDADMN C[C@@H](C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001573677013 948130127 /nfs/dbraw/zinc/13/01/27/948130127.db2.gz BUYRWIRQLILBGS-NWDGAFQWSA-N 0 1 384.419 1.540 20 0 GDADMN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC001573678624 948152960 /nfs/dbraw/zinc/15/29/60/948152960.db2.gz FOSIVKUPHYOEHU-WDEREUQCSA-N 0 1 392.510 1.360 20 0 GDADMN NC(=O)CC[C@@H]1CCCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826390990 948198644 /nfs/dbraw/zinc/19/86/44/948198644.db2.gz STDGQKIIPIYZOT-WMLDXEAASA-N 0 1 397.483 1.340 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC001573691825 948248219 /nfs/dbraw/zinc/24/82/19/948248219.db2.gz KBKPOGXYTUKKFV-WBMJQRKESA-N 0 1 390.463 1.399 20 0 GDADMN C[C@@H](C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)[C@H]1CCCO1 ZINC001573692433 948264347 /nfs/dbraw/zinc/26/43/47/948264347.db2.gz PQPADTKDAGZORD-MLGOLLRUSA-N 0 1 388.447 1.559 20 0 GDADMN C[C@@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@@H]1CCCO1 ZINC001573692695 948271162 /nfs/dbraw/zinc/27/11/62/948271162.db2.gz RVFSWYYVZKBHJD-WBMJQRKESA-N 0 1 388.447 1.559 20 0 GDADMN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573693581 948282818 /nfs/dbraw/zinc/28/28/18/948282818.db2.gz AETLWTIMDAEBBM-PNESKVBLSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573693581 948282824 /nfs/dbraw/zinc/28/28/24/948282824.db2.gz AETLWTIMDAEBBM-PNESKVBLSA-N 0 1 386.485 1.370 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC001602757168 971470435 /nfs/dbraw/zinc/47/04/35/971470435.db2.gz CYYAJDIYOYEMQS-CMPLNLGQSA-N 0 1 381.420 1.446 20 0 GDADMN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573696176 948317967 /nfs/dbraw/zinc/31/79/67/948317967.db2.gz LTUUSKNDGNHVKN-HSBZDZAISA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573696176 948317976 /nfs/dbraw/zinc/31/79/76/948317976.db2.gz LTUUSKNDGNHVKN-HSBZDZAISA-N 0 1 385.497 1.975 20 0 GDADMN O=C1[C@@H](N2CCN(CC3CC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476926 948384807 /nfs/dbraw/zinc/38/48/07/948384807.db2.gz SAEVQDCTDYWKCL-SFHVURJKSA-N 0 1 381.484 1.390 20 0 GDADMN O=S(=O)(Nc1ccccc1-c1nn[nH]n1)c1ccccc1Cn1ccnc1 ZINC000826493076 948405740 /nfs/dbraw/zinc/40/57/40/948405740.db2.gz SAJALBPHEYKJEO-UHFFFAOYSA-N 0 1 381.421 1.912 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1)C1CC1 ZINC001573708700 948457690 /nfs/dbraw/zinc/45/76/90/948457690.db2.gz XIILOGQVZHNZQA-KDOFPFPSSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573715220 948486713 /nfs/dbraw/zinc/48/67/13/948486713.db2.gz RICJTRQASATILD-UWVGGRQHSA-N 0 1 384.366 1.188 20 0 GDADMN C[C@H]([C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573725525 948541805 /nfs/dbraw/zinc/54/18/05/948541805.db2.gz ADHROTUDKBCXLT-RFQIPJPRSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1ccco1 ZINC001573725957 948545439 /nfs/dbraw/zinc/54/54/39/948545439.db2.gz DIQGNTOYTJLMGN-FRRDWIJNSA-N 0 1 382.428 1.242 20 0 GDADMN C[C@@H](C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1)C1CC1 ZINC001573730028 948574775 /nfs/dbraw/zinc/57/47/75/948574775.db2.gz KMZZRIGOIWTHDM-GFCCVEGCSA-N 0 1 378.440 1.353 20 0 GDADMN C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001573730345 948578916 /nfs/dbraw/zinc/57/89/16/948578916.db2.gz OPNBHWULJGOAAQ-BBEJJTJUSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573731785 948596472 /nfs/dbraw/zinc/59/64/72/948596472.db2.gz YZQOFIRGHLEFJP-YDHLFZDLSA-N 0 1 378.440 1.189 20 0 GDADMN CC(C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)=C1CCCC1 ZINC001573736079 948612778 /nfs/dbraw/zinc/61/27/78/948612778.db2.gz GZXWOGOATNWMFQ-HUUCEWRRSA-N 0 1 382.472 1.808 20 0 GDADMN C[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)c1cccc(OC(F)F)c1 ZINC001573754376 948741794 /nfs/dbraw/zinc/74/17/94/948741794.db2.gz FRVMOMKFMNIQRD-IUCAKERBSA-N 0 1 379.327 1.925 20 0 GDADMN CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)CC1 ZINC001575222219 948754337 /nfs/dbraw/zinc/75/43/37/948754337.db2.gz GROSAPZIDNOLGZ-TXEJJXNPSA-N 0 1 389.410 1.592 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574914697 948755544 /nfs/dbraw/zinc/75/55/44/948755544.db2.gz NCODRDNWGKAQOJ-NSHDSACASA-N 0 1 387.394 1.511 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575222803 948761928 /nfs/dbraw/zinc/76/19/28/948761928.db2.gz KMBPOYMOXPQDFO-NSHDSACASA-N 0 1 377.399 1.522 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574079040 948764434 /nfs/dbraw/zinc/76/44/34/948764434.db2.gz IHOAUMSBWJTDII-LQKXBSAESA-N 0 1 376.411 1.546 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1C ZINC001574079734 948778074 /nfs/dbraw/zinc/77/80/74/948778074.db2.gz GNKYRFLRSQZWCO-HLTSFMKQSA-N 0 1 387.872 1.912 20 0 GDADMN CC(C)c1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420008 948794165 /nfs/dbraw/zinc/79/41/65/948794165.db2.gz OQEREIVKRQGPMC-ZDUSSCGKSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CNC(=O)CCc1ccon1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917172 948811437 /nfs/dbraw/zinc/81/14/37/948811437.db2.gz SSTSKTCYUCFTDX-GFCCVEGCSA-N 0 1 387.419 1.563 20 0 GDADMN CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574424183 948845511 /nfs/dbraw/zinc/84/55/11/948845511.db2.gz HMRXRLGBKJPADG-LLVKDONJSA-N 0 1 384.469 1.850 20 0 GDADMN CC(F)(F)CC(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575231917 948870821 /nfs/dbraw/zinc/87/08/21/948870821.db2.gz APPAWXRKWXJEMM-OAHLLOKOSA-N 0 1 380.403 1.425 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573764329 948884846 /nfs/dbraw/zinc/88/48/46/948884846.db2.gz NAYNQDHOECYYCS-HNNXBMFYSA-N 0 1 377.452 1.674 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573765172 948899675 /nfs/dbraw/zinc/89/96/75/948899675.db2.gz VRXBMBLPMVYQQZ-HNNXBMFYSA-N 0 1 384.488 1.539 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573765173 948900069 /nfs/dbraw/zinc/90/00/69/948900069.db2.gz VRXBMBLPMVYQQZ-OAHLLOKOSA-N 0 1 384.488 1.539 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C(F)F ZINC001573765811 948926868 /nfs/dbraw/zinc/92/68/68/948926868.db2.gz JFXHBLNLZGKBTQ-QGHHPUGFSA-N 0 1 392.414 1.233 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001575236087 948935286 /nfs/dbraw/zinc/93/52/86/948935286.db2.gz VIYHMKVARCEZJW-WDEREUQCSA-N 0 1 378.387 1.129 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575237529 948947385 /nfs/dbraw/zinc/94/73/85/948947385.db2.gz HASHWVQEDCCKJQ-GHMZBOCLSA-N 0 1 380.403 1.211 20 0 GDADMN CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001574089361 948953987 /nfs/dbraw/zinc/95/39/87/948953987.db2.gz JNHYZIYEUBMZHL-SCLBCKFNSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)c1nc(CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2Cl)n[nH]1 ZINC001574434028 948973920 /nfs/dbraw/zinc/97/39/20/948973920.db2.gz DAIAYIMLVSXELJ-UHFFFAOYSA-N 0 1 382.837 1.240 20 0 GDADMN C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574689561 948987587 /nfs/dbraw/zinc/98/75/87/948987587.db2.gz IULVNXFJMUIPNL-CYBMUJFWSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574689561 948987599 /nfs/dbraw/zinc/98/75/99/948987599.db2.gz IULVNXFJMUIPNL-CYBMUJFWSA-N 0 1 387.492 1.228 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091045 949002567 /nfs/dbraw/zinc/00/25/67/949002567.db2.gz MPRQTWPXDFZEJB-KGLIPLIRSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001575501347 949004985 /nfs/dbraw/zinc/00/49/85/949004985.db2.gz HERFDVDESYCZQC-MRVPVSSYSA-N 0 1 397.424 1.499 20 0 GDADMN CC(C)(C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573775061 949029784 /nfs/dbraw/zinc/02/97/84/949029784.db2.gz SZEVVSXKKCAKGL-CQSZACIVSA-N 0 1 376.436 1.009 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441147 949055210 /nfs/dbraw/zinc/05/52/10/949055210.db2.gz FYAIQQMAEACGLT-NSHDSACASA-N 0 1 383.416 1.167 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574441596 949064277 /nfs/dbraw/zinc/06/42/77/949064277.db2.gz OQLRRVLAKFANEJ-HAQNSBGRSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCC1 ZINC001573780023 949076529 /nfs/dbraw/zinc/07/65/29/949076529.db2.gz PVSURQZGHYKCAT-CQSZACIVSA-N 0 1 384.488 1.221 20 0 GDADMN C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575250827 949117880 /nfs/dbraw/zinc/11/78/80/949117880.db2.gz HRMSWARKGYHXSC-VHSXEESVSA-N 0 1 383.378 1.721 20 0 GDADMN CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574447125 949153314 /nfs/dbraw/zinc/15/33/14/949153314.db2.gz HCHKAFCWPKAIFJ-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CCC1 ZINC001573786955 949153554 /nfs/dbraw/zinc/15/35/54/949153554.db2.gz JVWDRRNSQGQCQU-SJORKVTESA-N 0 1 384.484 1.354 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001574447650 949164761 /nfs/dbraw/zinc/16/47/61/949164761.db2.gz VXGBVDDKABETPZ-CQSZACIVSA-N 0 1 384.444 1.662 20 0 GDADMN CC(C)CC(=O)N(C)CCN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574098900 949168812 /nfs/dbraw/zinc/16/88/12/949168812.db2.gz HKZHBZGAECMYJN-UHFFFAOYSA-N 0 1 385.516 1.489 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514767 949176785 /nfs/dbraw/zinc/17/67/85/949176785.db2.gz DUKOKHCJNKLUQX-STQMWFEESA-N 0 1 381.444 1.188 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574448391 949186361 /nfs/dbraw/zinc/18/63/61/949186361.db2.gz KIZILCVNJVMABA-HNNXBMFYSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602796064 971560401 /nfs/dbraw/zinc/56/04/01/971560401.db2.gz VOSWWEWEIJMSTQ-PUTJDCORSA-N 0 1 384.335 1.368 20 0 GDADMN C[C@@H](NC(=O)[C@@H](C)n1cccc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254467 949201602 /nfs/dbraw/zinc/20/16/02/949201602.db2.gz WCDDWNLMGJDDDB-HUUCEWRRSA-N 0 1 379.468 1.866 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574698719 949202621 /nfs/dbraw/zinc/20/26/21/949202621.db2.gz NUTFRCIGBLLHES-QWRGUYRKSA-N 0 1 387.423 1.262 20 0 GDADMN CC(C)c1ocnc1CNC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574449918 949206328 /nfs/dbraw/zinc/20/63/28/949206328.db2.gz VVMGYSAOXJYPNN-LBPRGKRZSA-N 0 1 384.444 1.558 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574451256 949223289 /nfs/dbraw/zinc/22/32/89/949223289.db2.gz IPBDXIPPHJXXMP-RTXFEEFZSA-N 0 1 395.427 1.308 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2ccccc2F)CC1 ZINC001575854382 949229103 /nfs/dbraw/zinc/22/91/03/949229103.db2.gz TYOMGARYLKNMEV-UHFFFAOYSA-N 0 1 381.415 1.930 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC001575854463 949233438 /nfs/dbraw/zinc/23/34/38/949233438.db2.gz YEBTYLFBIPCLFX-AWEZNQCLSA-N 0 1 385.472 1.293 20 0 GDADMN CC(C)CC(=O)N1CC2(C[C@H]1C)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001574103684 949260377 /nfs/dbraw/zinc/26/03/77/949260377.db2.gz ZZYITFXTRGSROA-CQSZACIVSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574940376 949260871 /nfs/dbraw/zinc/26/08/71/949260871.db2.gz DHWCVTDHHNUIRJ-CYBMUJFWSA-N 0 1 377.452 1.332 20 0 GDADMN C[C@H](CNC(=O)Cc1cccnc1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574940918 949286336 /nfs/dbraw/zinc/28/63/36/949286336.db2.gz MNBPGPTXTCLPDE-CYBMUJFWSA-N 0 1 383.431 1.580 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](c1ccccc1)C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574703136 949312491 /nfs/dbraw/zinc/31/24/91/949312491.db2.gz RKSXQIPFHURMIW-DYVFJYSZSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](c1ccccc1)C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574703137 949313232 /nfs/dbraw/zinc/31/32/32/949313232.db2.gz RKSXQIPFHURMIW-GUYCJALGSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576154234 949329505 /nfs/dbraw/zinc/32/95/05/949329505.db2.gz OGOJMZWYJAKWGC-YJYMSZOUSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(F)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574942365 949347579 /nfs/dbraw/zinc/34/75/79/949347579.db2.gz ZFUKWIYZOKVHLV-GFCCVEGCSA-N 0 1 386.406 1.982 20 0 GDADMN CC(C)n1ccc(CNC2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC2)n1 ZINC001574460178 949374158 /nfs/dbraw/zinc/37/41/58/949374158.db2.gz ROSNWZKAPLNATK-UHFFFAOYSA-N 0 1 383.460 1.415 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001576155306 949395674 /nfs/dbraw/zinc/39/56/74/949395674.db2.gz HWUNIMPMDLSWGS-BARDWOONSA-N 0 1 382.472 1.378 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574704634 949400273 /nfs/dbraw/zinc/40/02/73/949400273.db2.gz DRWUEXXERCEQCT-ZIAGYGMSSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574704634 949400293 /nfs/dbraw/zinc/40/02/93/949400293.db2.gz DRWUEXXERCEQCT-ZIAGYGMSSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574704634 949400308 /nfs/dbraw/zinc/40/03/08/949400308.db2.gz DRWUEXXERCEQCT-ZIAGYGMSSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574704634 949400322 /nfs/dbraw/zinc/40/03/22/949400322.db2.gz DRWUEXXERCEQCT-ZIAGYGMSSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)c1cnn[nH]1 ZINC001576155974 949425783 /nfs/dbraw/zinc/42/57/83/949425783.db2.gz KUGYABTZFGAIKB-PIGZYNQJSA-N 0 1 382.432 1.171 20 0 GDADMN CC(C)(C)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F ZINC001573803951 949457860 /nfs/dbraw/zinc/45/78/60/949457860.db2.gz YFLSRIMTVQJSSL-JTQLQIEISA-N 0 1 380.403 1.281 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574706487 949459014 /nfs/dbraw/zinc/45/90/14/949459014.db2.gz ZALYICJVQHPDDF-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574706487 949459046 /nfs/dbraw/zinc/45/90/46/949459046.db2.gz ZALYICJVQHPDDF-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)n1cnc2ccc(CNS(=O)(=O)c3ccc(-c4nn[nH]n4)o3)cc21 ZINC001574468808 949467726 /nfs/dbraw/zinc/46/77/26/949467726.db2.gz SCUWOLJILVNQEE-UHFFFAOYSA-N 0 1 387.425 1.869 20 0 GDADMN C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575266182 949471938 /nfs/dbraw/zinc/47/19/38/949471938.db2.gz XTQDRWTTXYYPHN-NXEZZACHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576157337 949481212 /nfs/dbraw/zinc/48/12/12/949481212.db2.gz PTXCQWIXONRMRV-ZFWWWQNUSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001574469845 949485008 /nfs/dbraw/zinc/48/50/08/949485008.db2.gz IKSOSHXHQORDAH-GFCCVEGCSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@]1(C(=O)N2CC[C@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)CCOC1 ZINC001575537169 949490239 /nfs/dbraw/zinc/49/02/39/949490239.db2.gz SHRUIZKHTBHRIK-RTHLEPHNSA-N 0 1 383.865 1.416 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccn[nH]1 ZINC001576158452 949495665 /nfs/dbraw/zinc/49/56/65/949495665.db2.gz SUJDAVLFPCQDGQ-KZULUSFZSA-N 0 1 381.444 1.198 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575871056 949507622 /nfs/dbraw/zinc/50/76/22/949507622.db2.gz YFJRKRLAMMROQM-UWVGGRQHSA-N 0 1 378.387 1.176 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576158835 949507564 /nfs/dbraw/zinc/50/75/64/949507564.db2.gz VAJSFDIWFRFIDY-KBPBESRZSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575871858 949525118 /nfs/dbraw/zinc/52/51/18/949525118.db2.gz CNTPTQWXBKDAHS-WBMJQRKESA-N 0 1 390.463 1.636 20 0 GDADMN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001574950003 949525312 /nfs/dbraw/zinc/52/53/12/949525312.db2.gz JLPUATHJLJDXFB-WFASDCNBSA-N 0 1 376.461 1.745 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001574475628 949572575 /nfs/dbraw/zinc/57/25/75/949572575.db2.gz BPPBBJKMCUYASM-OCCSQVGLSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001574475628 949572595 /nfs/dbraw/zinc/57/25/95/949572595.db2.gz BPPBBJKMCUYASM-OCCSQVGLSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@@H](NC(=O)CCCc1cccs1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270502 949592741 /nfs/dbraw/zinc/59/27/41/949592741.db2.gz CZPBZIMCTZSGNA-VXGBXAGGSA-N 0 1 386.485 1.468 20 0 GDADMN C[C@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270529 949595401 /nfs/dbraw/zinc/59/54/01/949595401.db2.gz DOGQQVGDFFMXCJ-KBPBESRZSA-N 0 1 380.456 1.407 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ncccn1 ZINC001573812733 949621267 /nfs/dbraw/zinc/62/12/67/949621267.db2.gz TVTAZBDLGNJFRZ-ZDUSSCGKSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ncccn1 ZINC001573812733 949621280 /nfs/dbraw/zinc/62/12/80/949621280.db2.gz TVTAZBDLGNJFRZ-ZDUSSCGKSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574128683 949632549 /nfs/dbraw/zinc/63/25/49/949632549.db2.gz OQVHQIMKXWHVJH-KGLIPLIRSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576168933 949652165 /nfs/dbraw/zinc/65/21/65/949652165.db2.gz WTDCELJUYSQUKK-CZUORRHYSA-N 0 1 385.472 1.028 20 0 GDADMN C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@@H]3C2)CCOC1 ZINC001575554462 949698801 /nfs/dbraw/zinc/69/88/01/949698801.db2.gz SUAVDEZLAUVJGZ-FHSNZYRGSA-N 0 1 388.497 1.245 20 0 GDADMN C[C@@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@@H]3C2)CCOC1 ZINC001575554462 949698822 /nfs/dbraw/zinc/69/88/22/949698822.db2.gz SUAVDEZLAUVJGZ-FHSNZYRGSA-N 0 1 388.497 1.245 20 0 GDADMN C[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[n-]n5)s4)C[C@@H]3C2)CCOC1 ZINC001575554462 949698838 /nfs/dbraw/zinc/69/88/38/949698838.db2.gz SUAVDEZLAUVJGZ-FHSNZYRGSA-N 0 1 388.497 1.245 20 0 GDADMN C[C@@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(-c5nn[n-]n5)s4)C[C@@H]3C2)CCOC1 ZINC001575554462 949698857 /nfs/dbraw/zinc/69/88/57/949698857.db2.gz SUAVDEZLAUVJGZ-FHSNZYRGSA-N 0 1 388.497 1.245 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCCO1 ZINC001573818215 949720355 /nfs/dbraw/zinc/72/03/55/949720355.db2.gz IIMDBKNVGWAFNT-CZUORRHYSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574136709 949749146 /nfs/dbraw/zinc/74/91/46/949749146.db2.gz PYSNGUXLUCNKLK-HUUCEWRRSA-N 0 1 389.504 1.590 20 0 GDADMN C[C@H](NC(=O)CCc1ccon1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575278838 949774497 /nfs/dbraw/zinc/77/44/97/949774497.db2.gz WBZBYCACYPSZKK-ZDUSSCGKSA-N 0 1 381.440 1.424 20 0 GDADMN C[C@@H](NC(=O)CCc1cnc[nH]1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575279236 949777846 /nfs/dbraw/zinc/77/78/46/949777846.db2.gz XQTIMFMLNXXDRN-ZJUUUORDSA-N 0 1 389.851 1.576 20 0 GDADMN CC1(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575560228 949785220 /nfs/dbraw/zinc/78/52/20/949785220.db2.gz NAOUBUSBMZAOIF-UHFFFAOYSA-N 0 1 377.399 1.426 20 0 GDADMN CC(C)C[C@@H](C)CN1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574138240 949786125 /nfs/dbraw/zinc/78/61/25/949786125.db2.gz BPJLSNMQTFGYLE-HIFRSBDPSA-N 0 1 375.477 1.308 20 0 GDADMN CC(C)C[C@H](C)CN1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574138246 949786519 /nfs/dbraw/zinc/78/65/19/949786519.db2.gz BPJLSNMQTFGYLE-ZFWWWQNUSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC2CCC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172582 949813148 /nfs/dbraw/zinc/81/31/48/949813148.db2.gz XONSGISQNPZHPK-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN CC1(C(=O)NC2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CCOCC1 ZINC001575562416 949824245 /nfs/dbraw/zinc/82/42/45/949824245.db2.gz GPIWCDJYJDVTKG-UHFFFAOYSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575282241 949827212 /nfs/dbraw/zinc/82/72/12/949827212.db2.gz JJGFGGVOGGCHAM-QWHCGFSZSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576172939 949827597 /nfs/dbraw/zinc/82/75/97/949827597.db2.gz ZTJWMETWTBUERA-IUODEOHRSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H](CN(C)C(=O)CCCn1cccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574722868 949847650 /nfs/dbraw/zinc/84/76/50/949847650.db2.gz XJJAVZXDDUSSKH-CYBMUJFWSA-N 0 1 388.501 1.542 20 0 GDADMN C[C@H](CN(C)C(=O)CCCn1cccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574722868 949847671 /nfs/dbraw/zinc/84/76/71/949847671.db2.gz XJJAVZXDDUSSKH-CYBMUJFWSA-N 0 1 388.501 1.542 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574484004 949853454 /nfs/dbraw/zinc/85/34/54/949853454.db2.gz BWSARRPFISOZGG-WDEREUQCSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576177976 949869372 /nfs/dbraw/zinc/86/93/72/949869372.db2.gz AGIRHUAJGLZPIN-BZNIZROVSA-N 0 1 384.419 1.504 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574484646 949892863 /nfs/dbraw/zinc/89/28/63/949892863.db2.gz LFHOKGUOOAPSEY-UWVGGRQHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H](NC(=O)COC1CCCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575284319 949902012 /nfs/dbraw/zinc/90/20/12/949902012.db2.gz UDWRAFZVYJAKQF-LBPRGKRZSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)CC(C)(C)C ZINC001574484870 949911676 /nfs/dbraw/zinc/91/16/76/949911676.db2.gz QILZYEKCMJUDRX-ZIAGYGMSSA-N 0 1 386.504 1.944 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccon1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725970 949919399 /nfs/dbraw/zinc/91/93/99/949919399.db2.gz WKYHZFNETFFGBU-GFCCVEGCSA-N 0 1 387.419 1.563 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001575284855 949923269 /nfs/dbraw/zinc/92/32/69/949923269.db2.gz WYVBBRMPASIGIR-MNOVXSKESA-N 0 1 382.428 1.097 20 0 GDADMN C[C@H](NC(=O)COCC1CC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575285196 949937186 /nfs/dbraw/zinc/93/71/86/949937186.db2.gz ZPKSAAZBCNGGIN-LBPRGKRZSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574488024 949938625 /nfs/dbraw/zinc/93/86/25/949938625.db2.gz CDIKEUFIZYMGSD-PMUMKWKESA-N 0 1 392.467 1.531 20 0 GDADMN CC(C)(C)/C=C\C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573828739 949940990 /nfs/dbraw/zinc/94/09/90/949940990.db2.gz TUZRDUKYLJBSBC-ZAUARSBASA-N 0 1 382.472 1.877 20 0 GDADMN CC1(C(=O)NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)CCOCC1 ZINC001575571161 949954972 /nfs/dbraw/zinc/95/49/72/949954972.db2.gz XSUHFPXFLGCNBT-UHFFFAOYSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574489981 949973227 /nfs/dbraw/zinc/97/32/27/949973227.db2.gz MIIXUWAWCYZVNN-DGCLKSJQSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)Cc1cccc(F)c1F ZINC001575289615 950001436 /nfs/dbraw/zinc/00/14/36/950001436.db2.gz AKDIONQXRPGKDM-MNOVXSKESA-N 0 1 387.394 1.510 20 0 GDADMN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001576181449 950005438 /nfs/dbraw/zinc/00/54/38/950005438.db2.gz UPHXBWPJAQAHTE-NWDGAFQWSA-N 0 1 382.465 1.405 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccncn1 ZINC001574150871 950040335 /nfs/dbraw/zinc/04/03/35/950040335.db2.gz FWNNXPOXVDOQTM-LBPRGKRZSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccncn1 ZINC001574150871 950040355 /nfs/dbraw/zinc/04/03/55/950040355.db2.gz FWNNXPOXVDOQTM-LBPRGKRZSA-N 0 1 386.485 1.653 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575894083 950097745 /nfs/dbraw/zinc/09/77/45/950097745.db2.gz CXMZHEDTNAGSIF-YPMHNXCESA-N 0 1 386.485 1.445 20 0 GDADMN CC(C)(C)CC(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573837516 950112923 /nfs/dbraw/zinc/11/29/23/950112923.db2.gz ZVZUQXJRTJFFRE-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899476 950170171 /nfs/dbraw/zinc/17/01/71/950170171.db2.gz WRQPLJLRLJZUMX-CJNGLKHVSA-N 0 1 380.456 1.383 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574154757 950178872 /nfs/dbraw/zinc/17/88/72/950178872.db2.gz HDZIZZDOUQCPEI-GDBMZVCRSA-N 0 1 392.467 1.361 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191010 950180819 /nfs/dbraw/zinc/18/08/19/950180819.db2.gz FVISFTJUZUAELH-HIFRSBDPSA-N 0 1 378.440 1.289 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001574155043 950184288 /nfs/dbraw/zinc/18/42/88/950184288.db2.gz IPDAFJDWJQDTCM-SNVBAGLBSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C1CC1)C1CC1 ZINC001574155186 950187371 /nfs/dbraw/zinc/18/73/71/950187371.db2.gz JPKIVDRWCLDHII-AWEZNQCLSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H]1[C@@H](NCc2c(F)cccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901027 950215873 /nfs/dbraw/zinc/21/58/73/950215873.db2.gz KAQZEMUSDHKJDV-BONVTDFDSA-N 0 1 387.394 1.866 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccncc1F ZINC001574157692 950250895 /nfs/dbraw/zinc/25/08/95/950250895.db2.gz GRFKATIYHOLCMD-LBPRGKRZSA-N 0 1 384.419 1.474 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574157760 950254962 /nfs/dbraw/zinc/25/49/62/950254962.db2.gz IBHQRODUOLMKKK-YRBFXIGRSA-N 0 1 399.499 1.442 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCOC1 ZINC001575589896 950273309 /nfs/dbraw/zinc/27/33/09/950273309.db2.gz YQGLUUQHKSVKGQ-IFXJQAMLSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCOC1 ZINC001575589896 950273326 /nfs/dbraw/zinc/27/33/26/950273326.db2.gz YQGLUUQHKSVKGQ-IFXJQAMLSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cnsn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903188 950275188 /nfs/dbraw/zinc/27/51/88/950275188.db2.gz YUYJVMBJSKGANJ-FZMZJTMJSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ncccn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903380 950278704 /nfs/dbraw/zinc/27/87/04/950278704.db2.gz ZSWYOQNPOUUJEX-CJNGLKHVSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@]1(C(=O)NCCN(Cc2ccc(-c3nn[nH]n3)s2)C2CC2)CCOC1 ZINC001575592700 950296471 /nfs/dbraw/zinc/29/64/71/950296471.db2.gz JSHMRQMQCKJPPM-QGZVFWFLSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)COCC(F)F ZINC001575906031 950303008 /nfs/dbraw/zinc/30/30/08/950303008.db2.gz GBXPVCSXMRAVOB-MWLCHTKSSA-N 0 1 386.428 1.289 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)COCC(F)F ZINC001575906031 950303027 /nfs/dbraw/zinc/30/30/27/950303027.db2.gz GBXPVCSXMRAVOB-MWLCHTKSSA-N 0 1 386.428 1.289 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574501278 950323135 /nfs/dbraw/zinc/32/31/35/950323135.db2.gz CKQSECHUXCSXSO-ZJUUUORDSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906879 950323164 /nfs/dbraw/zinc/32/31/64/950323164.db2.gz KILNMOIVEIHTOL-GWCFXTLKSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906879 950323188 /nfs/dbraw/zinc/32/31/88/950323188.db2.gz KILNMOIVEIHTOL-GWCFXTLKSA-N 0 1 385.453 1.422 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCC[C@H]2CCC(=O)[O-])CC1=O ZINC000263215863 950331220 /nfs/dbraw/zinc/33/12/20/950331220.db2.gz XLVSCSSJJQLWAF-YESZJQIVSA-N 0 1 379.501 1.565 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)C[C@@H]1CNc1cccc(F)c1-c1nn[nH]n1 ZINC001576194450 950341541 /nfs/dbraw/zinc/34/15/41/950341541.db2.gz ZZUBKUDGOXQMTK-NEPJUHHUSA-N 0 1 384.419 1.939 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574502088 950358182 /nfs/dbraw/zinc/35/81/82/950358182.db2.gz ITGHAPVAILVVIW-WDEREUQCSA-N 0 1 383.378 1.793 20 0 GDADMN CCN(C)Cc1cc(O[C@H]2CC[N@H+](CC3(O)CCC(C(=O)[O-])CC3)C2)ccn1 ZINC001589715146 950371985 /nfs/dbraw/zinc/37/19/85/950371985.db2.gz NJUHQMDSRDIJMH-BSLVTKGXSA-N 0 1 391.512 1.992 20 0 GDADMN CCN(C)Cc1cc(O[C@H]2CC[N@@H+](CC3(O)CCC(C(=O)[O-])CC3)C2)ccn1 ZINC001589715146 950371999 /nfs/dbraw/zinc/37/19/99/950371999.db2.gz NJUHQMDSRDIJMH-BSLVTKGXSA-N 0 1 391.512 1.992 20 0 GDADMN CC(C)(C)OC(=O)N1CC[C@@]2(CNc3ccnc(-c4nn[nH]n4)n3)CCC[C@@H]12 ZINC001573856586 950389016 /nfs/dbraw/zinc/38/90/16/950389016.db2.gz FAFYMPXMUDQGEU-KZULUSFZSA-N 0 1 386.460 1.670 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909357 950394302 /nfs/dbraw/zinc/39/43/02/950394302.db2.gz YWHKKGYJWOPRDV-MFKMUULPSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909357 950394322 /nfs/dbraw/zinc/39/43/22/950394322.db2.gz YWHKKGYJWOPRDV-MFKMUULPSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575597299 950408053 /nfs/dbraw/zinc/40/80/53/950408053.db2.gz OGKNNZRXAHZSNQ-SNUQEOBHSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575597299 950408072 /nfs/dbraw/zinc/40/80/72/950408072.db2.gz OGKNNZRXAHZSNQ-SNUQEOBHSA-N 0 1 390.513 1.729 20 0 GDADMN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001573857515 950409456 /nfs/dbraw/zinc/40/94/56/950409456.db2.gz TZGHWVYMSWNUTI-SECBINFHSA-N 0 1 394.461 1.271 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576202576 950430056 /nfs/dbraw/zinc/43/00/56/950430056.db2.gz BIKLLGZBRWFYCQ-IHRRRGAJSA-N 0 1 387.513 1.055 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576202576 950430065 /nfs/dbraw/zinc/43/00/65/950430065.db2.gz BIKLLGZBRWFYCQ-IHRRRGAJSA-N 0 1 387.513 1.055 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575605212 950452664 /nfs/dbraw/zinc/45/26/64/950452664.db2.gz APMCBJCSPHUUSE-SNUQEOBHSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)CCOC1 ZINC001575605212 950452675 /nfs/dbraw/zinc/45/26/75/950452675.db2.gz APMCBJCSPHUUSE-SNUQEOBHSA-N 0 1 390.513 1.872 20 0 GDADMN CC(C)CC1(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001574165863 950453566 /nfs/dbraw/zinc/45/35/66/950453566.db2.gz KWHPVEDRTMYOTB-AWEZNQCLSA-N 0 1 387.488 1.179 20 0 GDADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)C1 ZINC001573861953 950457780 /nfs/dbraw/zinc/45/77/80/950457780.db2.gz MOVKQXSHLXBLPP-KLPPZKSPSA-N 0 1 388.428 1.605 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001574166706 950472838 /nfs/dbraw/zinc/47/28/38/950472838.db2.gz WCVPNTMYUPCQNO-CQSZACIVSA-N 0 1 387.488 1.179 20 0 GDADMN CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001574167649 950489927 /nfs/dbraw/zinc/48/99/27/950489927.db2.gz GWWWXEGZIJZDJT-QZTJIDSGSA-N 0 1 383.500 1.706 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCCCC1 ZINC001575606716 950499001 /nfs/dbraw/zinc/49/90/01/950499001.db2.gz DPBTVMQVJAITHW-HDJSIYSDSA-N 0 1 384.488 1.746 20 0 GDADMN CC1CCN(CC(=O)NC[C@@H]2CCCN2c2ncccc2-c2nn[nH]n2)CC1 ZINC001576205734 950535467 /nfs/dbraw/zinc/53/54/67/950535467.db2.gz NWBRFNPWQWSVOJ-HNNXBMFYSA-N 0 1 384.488 1.079 20 0 GDADMN CC1CCN(CC(=O)NCC2(Nc3ccc(-c4nn[nH]n4)cn3)CCC2)CC1 ZINC001576205973 950548145 /nfs/dbraw/zinc/54/81/45/950548145.db2.gz SDTZHOWDPJFILI-UHFFFAOYSA-N 0 1 384.488 1.444 20 0 GDADMN C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575917391 950568782 /nfs/dbraw/zinc/56/87/82/950568782.db2.gz XEMMOTFROGVKFV-UKRRQHHQSA-N 0 1 386.504 1.641 20 0 GDADMN C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575917391 950568811 /nfs/dbraw/zinc/56/88/11/950568811.db2.gz XEMMOTFROGVKFV-UKRRQHHQSA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)(C)OCC(=O)N1C[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573869578 950572257 /nfs/dbraw/zinc/57/22/57/950572257.db2.gz QOYKWFMAHUNTCG-IAGOWNOFSA-N 0 1 384.484 1.715 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C(F)(F)F ZINC001574511985 950582585 /nfs/dbraw/zinc/58/25/85/950582585.db2.gz YUOHFACFXYILBA-OPRDCNLKSA-N 0 1 384.366 1.186 20 0 GDADMN CC(C)(C)OCC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001573870908 950604338 /nfs/dbraw/zinc/60/43/38/950604338.db2.gz ZSGCLNAEPZTGJJ-UHFFFAOYSA-N 0 1 388.476 1.125 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc2ccccc2o1 ZINC001575919074 950605424 /nfs/dbraw/zinc/60/54/24/950605424.db2.gz FWQHYRZBEPEOHJ-DGCLKSJQSA-N 0 1 390.407 1.540 20 0 GDADMN C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575000871 950615960 /nfs/dbraw/zinc/61/59/60/950615960.db2.gz HLEDPCFBTYTMLU-LLVKDONJSA-N 0 1 381.444 1.118 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574759053 950627377 /nfs/dbraw/zinc/62/73/77/950627377.db2.gz KDNHRJWSMPZINL-LBPRGKRZSA-N 0 1 378.440 1.529 20 0 GDADMN CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)CC1 ZINC001589743737 950631561 /nfs/dbraw/zinc/63/15/61/950631561.db2.gz AIYFNFCBRACFOU-UHFFFAOYSA-N 0 1 379.501 1.424 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)no1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575001647 950640940 /nfs/dbraw/zinc/64/09/40/950640940.db2.gz XHHWPIUSXVOUNV-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(F)F)n(C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575001675 950641792 /nfs/dbraw/zinc/64/17/92/950641792.db2.gz XROCNLGIAQSOHI-VIFPVBQESA-N 0 1 391.386 1.188 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574759971 950650379 /nfs/dbraw/zinc/65/03/79/950650379.db2.gz QZBYQSFSRKTNRY-QMMMGPOBSA-N 0 1 378.849 1.944 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573873699 950657293 /nfs/dbraw/zinc/65/72/93/950657293.db2.gz YQWKSPZSEGWMPX-HAQNSBGRSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573873699 950657304 /nfs/dbraw/zinc/65/73/04/950657304.db2.gz YQWKSPZSEGWMPX-HAQNSBGRSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575924216 950668286 /nfs/dbraw/zinc/66/82/86/950668286.db2.gz DYKOOPQKSZETGB-MFKMUULPSA-N 0 1 384.831 1.447 20 0 GDADMN CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]21 ZINC001575624781 950676831 /nfs/dbraw/zinc/67/68/31/950676831.db2.gz OGSHCGFVJIOJET-GLQYFDAESA-N 0 1 388.451 1.516 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C2CCC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576215358 950695787 /nfs/dbraw/zinc/69/57/87/950695787.db2.gz AQZWFGHNFGZWIJ-JSGCOSHPSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573878185 950698921 /nfs/dbraw/zinc/69/89/21/950698921.db2.gz KOGRBMLQTWGTEJ-RBSFLKMASA-N 0 1 390.463 1.255 20 0 GDADMN CC(C)c1ncc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001574761679 950699944 /nfs/dbraw/zinc/69/99/44/950699944.db2.gz VELKOPKCYQHBFE-JTQLQIEISA-N 0 1 387.473 1.231 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccncc1Cl ZINC001575926308 950704055 /nfs/dbraw/zinc/70/40/55/950704055.db2.gz JDMRQGXDRNJHCG-IINYFYTJSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc(Cl)c1 ZINC001575926271 950706394 /nfs/dbraw/zinc/70/63/94/950706394.db2.gz XELPCHRPFKTIRJ-GXFFZTMASA-N 0 1 384.831 1.447 20 0 GDADMN C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575006517 950718720 /nfs/dbraw/zinc/71/87/20/950718720.db2.gz VGWWIIMXHWIHED-ZDUSSCGKSA-N 0 1 380.456 1.654 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575926951 950728323 /nfs/dbraw/zinc/72/83/23/950728323.db2.gz MZKWFWYILQEXEJ-BLLLJJGKSA-N 0 1 381.415 1.467 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C2CCCC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216353 950732764 /nfs/dbraw/zinc/73/27/64/950732764.db2.gz DJSNSEFMDVASRP-TZMCWYRMSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216581 950738312 /nfs/dbraw/zinc/73/83/12/950738312.db2.gz DMDUSVMYNCZXMQ-DZGCQCFKSA-N 0 1 392.467 1.315 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576216597 950738672 /nfs/dbraw/zinc/73/86/72/950738672.db2.gz DUNBUOYATRTIGO-NEPJUHHUSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575928199 950777255 /nfs/dbraw/zinc/77/72/55/950777255.db2.gz ZRUCQOJPJLOICM-WCBMZHEXSA-N 0 1 390.860 1.509 20 0 GDADMN CC(C)(C)c1csc(NC(=O)NCc2n[nH]c(CO)n2)c1-c1nn[nH]n1 ZINC001573884059 950781414 /nfs/dbraw/zinc/78/14/14/950781414.db2.gz FRJDDPKYUGUCER-UHFFFAOYSA-N 0 1 377.434 1.158 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1cccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574522516 950792922 /nfs/dbraw/zinc/79/29/22/950792922.db2.gz JWCCGYUSQPHKLN-OLZOCXBDSA-N 0 1 385.497 1.939 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1cccnc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574522516 950792944 /nfs/dbraw/zinc/79/29/44/950792944.db2.gz JWCCGYUSQPHKLN-OLZOCXBDSA-N 0 1 385.497 1.939 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC1(O)CCC1 ZINC001574523441 950812065 /nfs/dbraw/zinc/81/20/65/950812065.db2.gz NRNIRPYGUOGUKY-VXGBXAGGSA-N 0 1 378.502 1.606 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574523441 950812090 /nfs/dbraw/zinc/81/20/90/950812090.db2.gz NRNIRPYGUOGUKY-VXGBXAGGSA-N 0 1 378.502 1.606 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCc1ccon1 ZINC001574523949 950841810 /nfs/dbraw/zinc/84/18/10/950841810.db2.gz SLGCKBXRXNXXGK-NWDGAFQWSA-N 0 1 389.485 1.922 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCc1ccon1 ZINC001574523949 950841829 /nfs/dbraw/zinc/84/18/29/950841829.db2.gz SLGCKBXRXNXXGK-NWDGAFQWSA-N 0 1 389.485 1.922 20 0 GDADMN C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCc1cnc[nH]1 ZINC001575934769 950866265 /nfs/dbraw/zinc/86/62/65/950866265.db2.gz TWTFEGUJLSSFCC-IINYFYTJSA-N 0 1 385.407 1.158 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnns1 ZINC001574527542 950892347 /nfs/dbraw/zinc/89/23/47/950892347.db2.gz DBNQSQDBSVPNFK-IUCAKERBSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnns1 ZINC001574527542 950892360 /nfs/dbraw/zinc/89/23/60/950892360.db2.gz DBNQSQDBSVPNFK-IUCAKERBSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1n[nH]cc1F ZINC001574528129 950926416 /nfs/dbraw/zinc/92/64/16/950926416.db2.gz LLRTUMBWOFGXNJ-DTWKUNHWSA-N 0 1 378.437 1.477 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1n[nH]cc1F ZINC001574528129 950926435 /nfs/dbraw/zinc/92/64/35/950926435.db2.gz LLRTUMBWOFGXNJ-DTWKUNHWSA-N 0 1 378.437 1.477 20 0 GDADMN C[C@H]1C[C@H](C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CCO1 ZINC001575937747 950962432 /nfs/dbraw/zinc/96/24/32/950962432.db2.gz HAHLBXHEAQTLHX-DZGCQCFKSA-N 0 1 390.463 1.711 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001575017427 950993479 /nfs/dbraw/zinc/99/34/79/950993479.db2.gz FXAQEMBMGOCJAS-CYBMUJFWSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024867 951117090 /nfs/dbraw/zinc/11/70/90/951117090.db2.gz ONYMPLVEXDJAOH-CYBMUJFWSA-N 0 1 390.451 1.516 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575025377 951131510 /nfs/dbraw/zinc/13/15/10/951131510.db2.gz YOINTTQSYAFWKW-NSHDSACASA-N 0 1 384.419 1.119 20 0 GDADMN C[C@@H](CNC(=O)c1cccn1C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575031461 951194171 /nfs/dbraw/zinc/19/41/71/951194171.db2.gz ALIOGXIANIEPPU-QMMMGPOBSA-N 0 1 380.865 1.570 20 0 GDADMN C[C@H](CNC(=O)c1cn(C)nc1Cl)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575042493 951362485 /nfs/dbraw/zinc/36/24/85/951362485.db2.gz KNZKGZKZXMTFNS-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575045376 951425170 /nfs/dbraw/zinc/42/51/70/951425170.db2.gz BBQSAXVZLYJGNY-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575045376 951425178 /nfs/dbraw/zinc/42/51/78/951425178.db2.gz BBQSAXVZLYJGNY-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575053113 951473431 /nfs/dbraw/zinc/47/34/31/951473431.db2.gz QPXRSXCKBNHHNM-NSHDSACASA-N 0 1 381.444 1.127 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054114 951487286 /nfs/dbraw/zinc/48/72/86/951487286.db2.gz VTRPAHUCJFERFN-QMMMGPOBSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575054114 951487294 /nfs/dbraw/zinc/48/72/94/951487294.db2.gz VTRPAHUCJFERFN-QMMMGPOBSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@@H](CNC(=O)c1cnns1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055482 951508487 /nfs/dbraw/zinc/50/84/87/951508487.db2.gz VLQLEUMZAAXWMD-VIFPVBQESA-N 0 1 376.421 1.108 20 0 GDADMN C[C@H](CNC(=O)c1csc(=O)[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575055797 951511407 /nfs/dbraw/zinc/51/14/07/951511407.db2.gz AEJLKTSTTFLPEU-MRVPVSSYSA-N 0 1 377.405 1.076 20 0 GDADMN C[C@H](CNC(=O)c1n[nH]c2ccccc21)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001575062522 951570228 /nfs/dbraw/zinc/57/02/28/951570228.db2.gz XGRPVCYEAFTZGD-SECBINFHSA-N 0 1 381.375 1.508 20 0 GDADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000398202691 951585216 /nfs/dbraw/zinc/58/52/16/951585216.db2.gz NIDPIUJKWKTUCT-GOSISDBHSA-N 0 1 397.541 1.774 20 0 GDADMN C[C@H](CNC(=O)c1ncsc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067233 951606298 /nfs/dbraw/zinc/60/62/98/951606298.db2.gz OUSZJHFRLZBEMW-SNVBAGLBSA-N 0 1 384.469 1.850 20 0 GDADMN C[C@@H](CNCc1cc(F)ccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575080688 951712622 /nfs/dbraw/zinc/71/26/22/951712622.db2.gz MQPMCAFLBBPJPG-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575090542 951760921 /nfs/dbraw/zinc/76/09/21/951760921.db2.gz LUYWFQSOJVOLJW-XDTLVQLUSA-N 0 1 382.390 1.844 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1(C)CCOCC1 ZINC001575091560 951778289 /nfs/dbraw/zinc/77/82/89/951778289.db2.gz VDTQXPXRQDGDQU-ZDUSSCGKSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098394 951822180 /nfs/dbraw/zinc/82/21/80/951822180.db2.gz CGLCPSRICSJGPI-UNJBNNCHSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098394 951822185 /nfs/dbraw/zinc/82/21/85/951822185.db2.gz CGLCPSRICSJGPI-UNJBNNCHSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098664 951823001 /nfs/dbraw/zinc/82/30/01/951823001.db2.gz DZLSAFXWBLUWCY-GFCCVEGCSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098664 951823007 /nfs/dbraw/zinc/82/30/07/951823007.db2.gz DZLSAFXWBLUWCY-GFCCVEGCSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ccon1 ZINC001575099017 951827073 /nfs/dbraw/zinc/82/70/73/951827073.db2.gz HDABEBHZKDWYMH-LLVKDONJSA-N 0 1 375.458 1.486 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ccon1 ZINC001575099017 951827077 /nfs/dbraw/zinc/82/70/77/951827077.db2.gz HDABEBHZKDWYMH-LLVKDONJSA-N 0 1 375.458 1.486 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1cnccn1)C1CC1 ZINC001575099280 951833311 /nfs/dbraw/zinc/83/33/11/951833311.db2.gz JPGYVJKNOCUNAG-QGZVFWFLSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)c1cnccn1)C1CC1 ZINC001575099280 951833319 /nfs/dbraw/zinc/83/33/19/951833319.db2.gz JPGYVJKNOCUNAG-QGZVFWFLSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1cncnc1)C1CC1 ZINC001575099418 951835369 /nfs/dbraw/zinc/83/53/69/951835369.db2.gz LPQMGVJNBZXQDG-KRWDZBQOSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)c1cncnc1)C1CC1 ZINC001575099418 951835377 /nfs/dbraw/zinc/83/53/77/951835377.db2.gz LPQMGVJNBZXQDG-KRWDZBQOSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cncs1 ZINC001575099605 951837356 /nfs/dbraw/zinc/83/73/56/951837356.db2.gz NZEQTSRAULMNRW-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cncs1 ZINC001575099605 951837360 /nfs/dbraw/zinc/83/73/60/951837360.db2.gz NZEQTSRAULMNRW-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1cnsn1)C1CC1 ZINC001575099548 951837412 /nfs/dbraw/zinc/83/74/12/951837412.db2.gz MZGJCOSQKDBHRX-HNNXBMFYSA-N 0 1 390.498 1.468 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)c1cnsn1)C1CC1 ZINC001575099548 951837418 /nfs/dbraw/zinc/83/74/18/951837418.db2.gz MZGJCOSQKDBHRX-HNNXBMFYSA-N 0 1 390.498 1.468 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099788 951839845 /nfs/dbraw/zinc/83/98/45/951839845.db2.gz ONLLPTFXGXPRCP-QMMMGPOBSA-N 0 1 381.849 1.725 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)no1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099788 951839857 /nfs/dbraw/zinc/83/98/57/951839857.db2.gz ONLLPTFXGXPRCP-QMMMGPOBSA-N 0 1 381.849 1.725 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575101172 951855514 /nfs/dbraw/zinc/85/55/14/951855514.db2.gz AOMPWKMMFCQQRF-LMRQPLJMSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575101172 951855519 /nfs/dbraw/zinc/85/55/19/951855519.db2.gz AOMPWKMMFCQQRF-LMRQPLJMSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575136910 952131335 /nfs/dbraw/zinc/13/13/35/952131335.db2.gz ROJWZQKJDQZYGM-SFHVURJKSA-N 0 1 382.472 1.356 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575143632 952156522 /nfs/dbraw/zinc/15/65/22/952156522.db2.gz BWGWOOQBHIZEGU-LLVKDONJSA-N 0 1 382.428 1.123 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(F)cc1Cl ZINC001575144030 952161619 /nfs/dbraw/zinc/16/16/19/952161619.db2.gz FRLNSVNTHJSOJB-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1sccc1Cl ZINC001575144863 952173419 /nfs/dbraw/zinc/17/34/19/952173419.db2.gz MVIYYOTWIQMVDC-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575145001 952175641 /nfs/dbraw/zinc/17/56/41/952175641.db2.gz OAUJKUTZWSZLOG-KRWDZBQOSA-N 0 1 386.847 1.676 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575145166 952178377 /nfs/dbraw/zinc/17/83/77/952178377.db2.gz RPJGRYBIKCXCQK-QMMMGPOBSA-N 0 1 392.345 1.069 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575145208 952179841 /nfs/dbraw/zinc/17/98/41/952179841.db2.gz SOLYYLQVDXMSLQ-JSGCOSHPSA-N 0 1 378.440 1.067 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575145356 952182610 /nfs/dbraw/zinc/18/26/10/952182610.db2.gz WGEGOWOFVOKURF-SFHVURJKSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575145505 952185938 /nfs/dbraw/zinc/18/59/38/952185938.db2.gz YVAPINWOWOELDT-MRVPVSSYSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575147125 952199160 /nfs/dbraw/zinc/19/91/60/952199160.db2.gz QRGBLEJMEPRHFG-LBPRGKRZSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575165960 952318746 /nfs/dbraw/zinc/31/87/46/952318746.db2.gz RJGPXVUOHNCGMR-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575165960 952318754 /nfs/dbraw/zinc/31/87/54/952318754.db2.gz RJGPXVUOHNCGMR-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575165960 952318764 /nfs/dbraw/zinc/31/87/64/952318764.db2.gz RJGPXVUOHNCGMR-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575165960 952318771 /nfs/dbraw/zinc/31/87/71/952318771.db2.gz RJGPXVUOHNCGMR-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575188394 952447753 /nfs/dbraw/zinc/44/77/53/952447753.db2.gz HVHUIKAFGZQHAD-ZDUSSCGKSA-N 0 1 384.444 1.413 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001575196166 952474585 /nfs/dbraw/zinc/47/45/85/952474585.db2.gz DXIBIRUWDCUESX-VNHYZAJKSA-N 0 1 394.439 1.166 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575197142 952479384 /nfs/dbraw/zinc/47/93/84/952479384.db2.gz OAHZMNXUOAWUFI-ZIAGYGMSSA-N 0 1 381.440 1.676 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1cscn1 ZINC001571117098 952479434 /nfs/dbraw/zinc/47/94/34/952479434.db2.gz GUYRLDKCAMPQFI-ZJUUUORDSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1cscn1 ZINC001571117098 952479438 /nfs/dbraw/zinc/47/94/38/952479438.db2.gz GUYRLDKCAMPQFI-ZJUUUORDSA-N 0 1 375.483 1.778 20 0 GDADMN Cc1ccccc1C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001571117389 952482058 /nfs/dbraw/zinc/48/20/58/952482058.db2.gz KVTAPQFWEGSWMH-XGBSXSJOSA-N 0 1 375.436 1.682 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200267 952494223 /nfs/dbraw/zinc/49/42/23/952494223.db2.gz BUSBNNSYAODRJB-YWPYICTPSA-N 0 1 381.444 1.122 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575201049 952501239 /nfs/dbraw/zinc/50/12/39/952501239.db2.gz MZTRZUCJPSDXJD-VXGBXAGGSA-N 0 1 384.419 1.303 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001571120895 952512157 /nfs/dbraw/zinc/51/21/57/952512157.db2.gz SSBFQOUABFIPNJ-GASCZTMLSA-N 0 1 376.424 1.459 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1CC(CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575202320 952513660 /nfs/dbraw/zinc/51/36/60/952513660.db2.gz VJQJNLWGKVYPNT-LKSINWNRSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575203246 952520013 /nfs/dbraw/zinc/52/00/13/952520013.db2.gz SAXFQZYOPTYCIX-CHWSQXEVSA-N 0 1 381.444 1.124 20 0 GDADMN O=C(c1cnns1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571121920 952522626 /nfs/dbraw/zinc/52/26/26/952522626.db2.gz FBWYTKMQSISGRM-SECBINFHSA-N 0 1 376.471 1.174 20 0 GDADMN O=C(c1cnns1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571121920 952522628 /nfs/dbraw/zinc/52/26/28/952522628.db2.gz FBWYTKMQSISGRM-SECBINFHSA-N 0 1 376.471 1.174 20 0 GDADMN O=C(c1ncccn1)N1C[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571122809 952526387 /nfs/dbraw/zinc/52/63/87/952526387.db2.gz LRQDEFDZWAVVKL-GDBMZVCRSA-N 0 1 376.424 1.003 20 0 GDADMN CO[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)C1CC1 ZINC001571123728 952532923 /nfs/dbraw/zinc/53/29/23/952532923.db2.gz VFISLOIENUOZJV-OAHLLOKOSA-N 0 1 376.486 1.434 20 0 GDADMN CO[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)C1CC1 ZINC001571123728 952532926 /nfs/dbraw/zinc/53/29/26/952532926.db2.gz VFISLOIENUOZJV-OAHLLOKOSA-N 0 1 376.486 1.434 20 0 GDADMN O=C(C1CCC(O)CC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571124124 952533432 /nfs/dbraw/zinc/53/34/32/952533432.db2.gz ZHSSQDRXOJQPQB-OTTFEQOBSA-N 0 1 376.486 1.170 20 0 GDADMN O=C(C1CCC(O)CC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571124124 952533433 /nfs/dbraw/zinc/53/34/33/952533433.db2.gz ZHSSQDRXOJQPQB-OTTFEQOBSA-N 0 1 376.486 1.170 20 0 GDADMN CC1(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001571124006 952533735 /nfs/dbraw/zinc/53/37/35/952533735.db2.gz XBSGKIABBQNODV-GFCCVEGCSA-N 0 1 376.486 1.435 20 0 GDADMN CC1(C(=O)N2CCCO[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001571124006 952533739 /nfs/dbraw/zinc/53/37/39/952533739.db2.gz XBSGKIABBQNODV-GFCCVEGCSA-N 0 1 376.486 1.435 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001571124111 952533973 /nfs/dbraw/zinc/53/39/73/952533973.db2.gz YZHXZTCWZWMYDB-GFCCVEGCSA-N 0 1 376.486 1.266 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001571124111 952533978 /nfs/dbraw/zinc/53/39/78/952533978.db2.gz YZHXZTCWZWMYDB-GFCCVEGCSA-N 0 1 376.486 1.266 20 0 GDADMN CC1(C)CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571124549 952539810 /nfs/dbraw/zinc/53/98/10/952539810.db2.gz MINQVMSIXKQINN-WCQYABFASA-N 0 1 377.399 1.378 20 0 GDADMN Cc1cnccc1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571127579 952558322 /nfs/dbraw/zinc/55/83/22/952558322.db2.gz JCMZRXXTVMZGRN-KRWDZBQOSA-N 0 1 377.452 1.965 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575214429 952564191 /nfs/dbraw/zinc/56/41/91/952564191.db2.gz KQGLGCFCDSWGCJ-NSHDSACASA-N 0 1 379.415 1.886 20 0 GDADMN COc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC3(F)F)C2)cc1-c1nn[nH]n1 ZINC001571130718 952582033 /nfs/dbraw/zinc/58/20/33/952582033.db2.gz VHGAKXQNLIENFQ-YPMHNXCESA-N 0 1 378.383 1.221 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3ccncc3)[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134020 952585131 /nfs/dbraw/zinc/58/51/31/952585131.db2.gz BMJGMXLNNHIVPM-ZFWWWQNUSA-N 0 1 378.440 1.492 20 0 GDADMN Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cn1 ZINC001571134125 952586125 /nfs/dbraw/zinc/58/61/25/952586125.db2.gz DZYNPNOBVYKFFH-PIGZYNQJSA-N 0 1 378.440 1.268 20 0 GDADMN Cc1cc(N2C[C@@H](CNC(=O)c3cccnc3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134671 952594400 /nfs/dbraw/zinc/59/44/00/952594400.db2.gz LLBXJRKQAFHRSR-IUODEOHRSA-N 0 1 378.440 1.467 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)c(C)[nH]1 ZINC001571135281 952601802 /nfs/dbraw/zinc/60/18/02/952601802.db2.gz UYDMHRWTNWMXJQ-QLPKVWCKSA-N 0 1 378.440 1.380 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001571135468 952604921 /nfs/dbraw/zinc/60/49/21/952604921.db2.gz YICREIYNXHEKOZ-IAGOWNOFSA-N 0 1 378.440 1.540 20 0 GDADMN COc1ccc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC001571135913 952609928 /nfs/dbraw/zinc/60/99/28/952609928.db2.gz HTFKLHYNIPVPLY-KRWDZBQOSA-N 0 1 378.436 1.880 20 0 GDADMN Cc1cc(NC[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571138923 952618417 /nfs/dbraw/zinc/61/84/17/952618417.db2.gz AFESVMBNDAHBOW-ZYHUDNBSSA-N 0 1 379.415 1.544 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccccc1F ZINC001571139397 952620414 /nfs/dbraw/zinc/62/04/14/952620414.db2.gz GZDKDYCXONYELB-XMQYKBBCSA-N 0 1 379.399 1.513 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1[O-] ZINC001571140258 952624217 /nfs/dbraw/zinc/62/42/17/952624217.db2.gz BAXJFCRCDSKVBL-DOMZBBRYSA-N 0 1 379.424 1.360 20 0 GDADMN Cc1cocc1C(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571142139 952638853 /nfs/dbraw/zinc/63/88/53/952638853.db2.gz PZRIAKKXVCKOJY-KGLIPLIRSA-N 0 1 379.424 1.762 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnc2n1CCC2 ZINC001571142708 952645338 /nfs/dbraw/zinc/64/53/38/952645338.db2.gz WBWYJMSOFFPJLC-HNNXBMFYSA-N 0 1 378.440 1.014 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@H]1CC12CCCC2 ZINC001571151349 952674939 /nfs/dbraw/zinc/67/49/39/952674939.db2.gz PJXJFUHKLDQOQJ-DMRZNYOFSA-N 0 1 379.468 1.640 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CC1(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571152183 952680865 /nfs/dbraw/zinc/68/08/65/952680865.db2.gz CXNBKEYGMPUQAY-NOZJJQNGSA-N 0 1 380.374 1.598 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)c3ncccc3[O-])C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571157896 952707829 /nfs/dbraw/zinc/70/78/29/952707829.db2.gz BVVSRBWTWYWNPV-LBPRGKRZSA-N 0 1 380.412 1.070 20 0 GDADMN Cc1cccnc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001571158030 952708763 /nfs/dbraw/zinc/70/87/63/952708763.db2.gz QADDNCYIRBRYCK-GFCCVEGCSA-N 0 1 379.428 1.005 20 0 GDADMN Cc1ccc([C@@H](C)C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)o1 ZINC001571158943 952715986 /nfs/dbraw/zinc/71/59/86/952715986.db2.gz NVUMJQZOGCVBGP-AGIUHOORSA-N 0 1 380.412 1.151 20 0 GDADMN Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)c3cn[nH]c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159763 952722297 /nfs/dbraw/zinc/72/22/97/952722297.db2.gz WIPYHBUXUCGPCU-UGSOOPFHSA-N 0 1 379.428 1.082 20 0 GDADMN CCc1c(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)ccn1C ZINC001571166808 952765717 /nfs/dbraw/zinc/76/57/17/952765717.db2.gz QDXXJCHPQCQMHG-UHFFFAOYSA-N 0 1 380.456 1.300 20 0 GDADMN Cc1ccncc1CN1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 ZINC001571169658 952777440 /nfs/dbraw/zinc/77/74/40/952777440.db2.gz JVLNBTDNWPDFAQ-INIZCTEOSA-N 0 1 380.456 1.539 20 0 GDADMN C[C@@]12CN(C(=O)[C@@H]3CC34CC4)C[C@]1(C)CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571170851 952789278 /nfs/dbraw/zinc/78/92/78/952789278.db2.gz XTCPPOVSFKICRS-UYHISHBKSA-N 0 1 380.456 1.132 20 0 GDADMN CN(C)c1cccc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571170893 952789961 /nfs/dbraw/zinc/78/99/61/952789961.db2.gz YWUSUMGYNHGKLQ-OAHLLOKOSA-N 0 1 380.456 1.265 20 0 GDADMN O=C(NC[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cocn1 ZINC001571172338 952805027 /nfs/dbraw/zinc/80/50/27/952805027.db2.gz SSZOUFMIDCAYCW-ZETCQYMHSA-N 0 1 380.821 1.221 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)on1 ZINC001571172550 952808069 /nfs/dbraw/zinc/80/80/69/952808069.db2.gz WYOJDUJAOLOQMU-ZETCQYMHSA-N 0 1 380.821 1.600 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571178196 952835525 /nfs/dbraw/zinc/83/55/25/952835525.db2.gz AYGHWVHBIJDADY-CHWSQXEVSA-N 0 1 381.415 1.643 20 0 GDADMN Cc1ncoc1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571179981 952858208 /nfs/dbraw/zinc/85/82/08/952858208.db2.gz LMPJRBDYGFXJAW-OAHLLOKOSA-N 0 1 381.440 1.900 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)Cc3ccoc3)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180438 952860477 /nfs/dbraw/zinc/86/04/77/952860477.db2.gz OLRYQPGEIDVQLA-ZFWWWQNUSA-N 0 1 381.440 1.879 20 0 GDADMN C[C@@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)CCc2ccco2)C1 ZINC001571182956 952871006 /nfs/dbraw/zinc/87/10/06/952871006.db2.gz KPCFCAYBHJWUPA-IBGZPJMESA-N 0 1 381.440 1.560 20 0 GDADMN COc1cccc(CN2CC[C@@](C)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571183137 952874685 /nfs/dbraw/zinc/87/46/85/952874685.db2.gz PUZRERNLZRAOFK-LJQANCHMSA-N 0 1 381.440 1.598 20 0 GDADMN C[C@@H](c1cnccn1)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571183526 952879813 /nfs/dbraw/zinc/87/98/13/952879813.db2.gz CSYYBVDCQNIGPV-JSGCOSHPSA-N 0 1 381.444 1.282 20 0 GDADMN CN(CCC1CCN(C(=O)c2ccn[nH]2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC001571184829 952897454 /nfs/dbraw/zinc/89/74/54/952897454.db2.gz DYBUCQOCXLXWHE-UHFFFAOYSA-N 0 1 381.444 1.364 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2C[C@@H](C)N(C(=O)CCc3cnc[nH]3)C2)n1 ZINC001571187769 952910598 /nfs/dbraw/zinc/91/05/98/952910598.db2.gz BUQLGHLERUACPW-OCCSQVGLSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1ncc(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)n1C ZINC001571188850 952921028 /nfs/dbraw/zinc/92/10/28/952921028.db2.gz OCRXMJWUQYMURQ-CYBMUJFWSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1nc(N[C@@H](C)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189003 952922962 /nfs/dbraw/zinc/92/29/62/952922962.db2.gz LTTTWOBCOVGNIC-WCQYABFASA-N 0 1 381.444 1.646 20 0 GDADMN Cc1c(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)cnn1C ZINC001571189092 952924018 /nfs/dbraw/zinc/92/40/18/952924018.db2.gz RUAUIMAVIHQFRP-ZDUSSCGKSA-N 0 1 381.444 1.011 20 0 GDADMN Cn1cccc1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571189304 952928466 /nfs/dbraw/zinc/92/84/66/952928466.db2.gz PJEINTSVGYXRIQ-ZDUSSCGKSA-N 0 1 381.444 1.174 20 0 GDADMN Cc1ccnc(C(=O)N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571195544 952976065 /nfs/dbraw/zinc/97/60/65/952976065.db2.gz BNBGJNSEUSNKJT-AWEZNQCLSA-N 0 1 382.403 1.109 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1F ZINC001571195549 952976882 /nfs/dbraw/zinc/97/68/82/952976882.db2.gz BQRRNFIQXXRSDV-CYBMUJFWSA-N 0 1 382.403 1.243 20 0 GDADMN CCc1nc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)co1 ZINC001571199636 953002740 /nfs/dbraw/zinc/00/27/40/953002740.db2.gz XBZYULMMIXJWHB-VXGBXAGGSA-N 0 1 382.428 1.258 20 0 GDADMN Cc1nc(C)c(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)o1 ZINC001571201073 953014161 /nfs/dbraw/zinc/01/41/61/953014161.db2.gz JHFWZDHHEUFMOB-CYBMUJFWSA-N 0 1 382.428 1.314 20 0 GDADMN COc1ccc(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC001571201142 953014778 /nfs/dbraw/zinc/01/47/78/953014778.db2.gz NRKDUDJZFFXUBX-HNNXBMFYSA-N 0 1 382.424 1.863 20 0 GDADMN O=C(c1cccc(F)c1)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571201402 953017977 /nfs/dbraw/zinc/01/79/77/953017977.db2.gz PTOGWHCTWBBQEG-UHFFFAOYSA-N 0 1 382.403 1.182 20 0 GDADMN Cc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@]3(C)C2)o1 ZINC001571206368 953050254 /nfs/dbraw/zinc/05/02/54/953050254.db2.gz OVNLSOMWSCPPFK-ACJLOTCBSA-N 0 1 382.428 1.085 20 0 GDADMN Cc1ncc(CN2C[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@]3(C)C2)o1 ZINC001571206368 953050257 /nfs/dbraw/zinc/05/02/57/953050257.db2.gz OVNLSOMWSCPPFK-ACJLOTCBSA-N 0 1 382.428 1.085 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001571210897 953075542 /nfs/dbraw/zinc/07/55/42/953075542.db2.gz ZRAIPTSPUKAHFR-NHAYFPRASA-N 0 1 382.468 1.515 20 0 GDADMN Cc1nn[nH]c1C(=O)N1CCCC[C@@H]1CCNc1ncccc1-c1nn[nH]n1 ZINC001571211479 953077626 /nfs/dbraw/zinc/07/76/26/953077626.db2.gz BNQYOWPZMRVKLV-GFCCVEGCSA-N 0 1 382.432 1.185 20 0 GDADMN Cc1nc(NC[C@@H]2CCCC[C@H]2NC(=O)c2ncn[nH]2)ccc1-c1nn[nH]n1 ZINC001571214144 953100689 /nfs/dbraw/zinc/10/06/89/953100689.db2.gz YNYGFYXHBTVRKS-WCQYABFASA-N 0 1 382.432 1.089 20 0 GDADMN Cc1nc(NC[C@@H]2CCCC[C@H]2NC(=O)c2nc[nH]n2)ccc1-c1nn[nH]n1 ZINC001571214144 953100692 /nfs/dbraw/zinc/10/06/92/953100692.db2.gz YNYGFYXHBTVRKS-WCQYABFASA-N 0 1 382.432 1.089 20 0 GDADMN O=C(CC1CC1)N1CCC(N(CC2CC2)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571217307 953106738 /nfs/dbraw/zinc/10/67/38/953106738.db2.gz FEFRCFRTXGDECE-UHFFFAOYSA-N 0 1 382.472 1.664 20 0 GDADMN O=C(C1=CCOCC1)N1CCCCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571232120 953186335 /nfs/dbraw/zinc/18/63/35/953186335.db2.gz BNKPRASNNSATDI-OAHLLOKOSA-N 0 1 383.456 1.213 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571233479 953193238 /nfs/dbraw/zinc/19/32/38/953193238.db2.gz VXLJYPPVCZJENE-LPHOPBHVSA-N 0 1 383.456 1.260 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC2(CN(Cc3ccsc3)C2)CC1 ZINC001571234475 953202067 /nfs/dbraw/zinc/20/20/67/953202067.db2.gz ZBNCSZXRQLNUJW-UHFFFAOYSA-N 0 1 383.481 1.995 20 0 GDADMN O=C(C[C@H]1CCCO1)N[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234654 953204630 /nfs/dbraw/zinc/20/46/30/953204630.db2.gz FHCJMNKSCXRVPQ-IWSPIJDZSA-N 0 1 383.865 1.605 20 0 GDADMN CC[C@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571235004 953207573 /nfs/dbraw/zinc/20/75/73/953207573.db2.gz PKLJSWDCYPEFOZ-VHSXEESVSA-N 0 1 384.366 1.070 20 0 GDADMN Cc1nn(C)c(F)c1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571242243 953254553 /nfs/dbraw/zinc/25/45/53/953254553.db2.gz XKXYGQABODKTTJ-ZDUSSCGKSA-N 0 1 384.419 1.052 20 0 GDADMN CC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1NCc1ncc(C)o1 ZINC001571243164 953263617 /nfs/dbraw/zinc/26/36/17/953263617.db2.gz XQUIVCGMZDVVSQ-TZMCWYRMSA-N 0 1 384.444 1.522 20 0 GDADMN Cc1ccc(CC(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571244775 953267042 /nfs/dbraw/zinc/26/70/42/953267042.db2.gz HXQMGJJKCNAONQ-LBPRGKRZSA-N 0 1 384.469 1.094 20 0 GDADMN Cc1cc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)c(C)s1 ZINC001571244872 953268236 /nfs/dbraw/zinc/26/82/36/953268236.db2.gz KUDUIGKVHRLEMB-UHFFFAOYSA-N 0 1 384.469 1.472 20 0 GDADMN Cc1cc(NC[C@]2(C)CCN(C(=O)c3ccns3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245142 953270554 /nfs/dbraw/zinc/27/05/54/953270554.db2.gz OPUHJEQPTXDAOW-KRWDZBQOSA-N 0 1 384.469 1.413 20 0 GDADMN Cc1cscc1C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571245297 953272413 /nfs/dbraw/zinc/27/24/13/953272413.db2.gz RJOHWDFWJGKWGL-HAQNSBGRSA-N 0 1 384.469 1.602 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2nccs2)C1 ZINC001571245400 953272893 /nfs/dbraw/zinc/27/28/93/953272893.db2.gz HNUZACABRCYOEQ-RYUDHWBXSA-N 0 1 384.469 1.493 20 0 GDADMN Cc1ncc(C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C)s1 ZINC001571247656 953284376 /nfs/dbraw/zinc/28/43/76/953284376.db2.gz BRFNWZRIYNWIBW-ZYHUDNBSSA-N 0 1 384.469 1.529 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cncnc1 ZINC001571247757 953286154 /nfs/dbraw/zinc/28/61/54/953286154.db2.gz DIAQMOAYKXGMFS-CHWSQXEVSA-N 0 1 384.469 1.549 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cncnc1 ZINC001571247757 953286157 /nfs/dbraw/zinc/28/61/57/953286157.db2.gz DIAQMOAYKXGMFS-CHWSQXEVSA-N 0 1 384.469 1.549 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1)c1cccs1 ZINC001571248150 953289831 /nfs/dbraw/zinc/28/98/31/953289831.db2.gz MIYJNKNSZGEJAH-HAQNSBGRSA-N 0 1 384.469 1.541 20 0 GDADMN O=C(Cc1cscn1)N[C@H]1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571248190 953290427 /nfs/dbraw/zinc/29/04/27/953290427.db2.gz NCPBUGAZVCGYRM-RISCZKNCSA-N 0 1 384.469 1.080 20 0 GDADMN Cc1nc(CC(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)s1 ZINC001571248375 953292403 /nfs/dbraw/zinc/29/24/03/953292403.db2.gz RWVOYQBPTBKZOG-TXEJJXNPSA-N 0 1 384.469 1.059 20 0 GDADMN O=C(Cc1ccsc1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571248739 953296694 /nfs/dbraw/zinc/29/66/94/953296694.db2.gz YPRWXDQZWYXVQL-CYBMUJFWSA-N 0 1 384.469 1.176 20 0 GDADMN O=C(C[C@@H]1CCCOC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571249054 953300957 /nfs/dbraw/zinc/30/09/57/953300957.db2.gz BXUDOJRRPCAGEI-KRWDZBQOSA-N 0 1 384.484 1.718 20 0 GDADMN CCC1(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001571250071 953307786 /nfs/dbraw/zinc/30/77/86/953307786.db2.gz NSHLWDGUGJJXMG-KGLIPLIRSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001571250511 953311384 /nfs/dbraw/zinc/31/13/84/953311384.db2.gz QJXNRDUJUQKTMW-ZFWWWQNUSA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)CC2CC2)CC1 ZINC001571251423 953317149 /nfs/dbraw/zinc/31/71/49/953317149.db2.gz XLCNNFHARKDSCR-UHFFFAOYSA-N 0 1 384.488 1.555 20 0 GDADMN CC1(C)CC(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571251426 953317742 /nfs/dbraw/zinc/31/77/42/953317742.db2.gz XMHBFBKPKHYPEO-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571252464 953328362 /nfs/dbraw/zinc/32/83/62/953328362.db2.gz NIHJECLNEFIIBI-HZSPNIEDSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001589271425 953408616 /nfs/dbraw/zinc/40/86/16/953408616.db2.gz FRHMNTYHKREOSD-APWZRJJASA-N 0 1 388.512 1.686 20 0 GDADMN NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000424265336 953443685 /nfs/dbraw/zinc/44/36/85/953443685.db2.gz VFHYUPPOMJIULZ-CQSZACIVSA-N 0 1 383.470 1.382 20 0 GDADMN C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccc(F)cc1 ZINC000563535498 953600281 /nfs/dbraw/zinc/60/02/81/953600281.db2.gz XQFVEQVIORNSNK-VNHYZAJKSA-N 0 1 379.432 1.304 20 0 GDADMN COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000571881359 953665692 /nfs/dbraw/zinc/66/56/92/953665692.db2.gz QAEGZJRPQNDHBS-UONOGXRCSA-N 0 1 377.441 1.243 20 0 GDADMN Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@H](C)C(=O)[O-])CC3)n2)cc1 ZINC000583993567 953732336 /nfs/dbraw/zinc/73/23/36/953732336.db2.gz KYAQLPCUIUEWDG-HNNXBMFYSA-N 0 1 386.452 1.843 20 0 GDADMN O=C([O-])CC[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)C1CCOCC1 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381.440 1.522 20 0 GDADMN C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736768242 599029648 /nfs/dbraw/zinc/02/96/48/599029648.db2.gz ZEOVOHGGAJMFQU-UHFFFAOYSA-N 0 1 381.440 1.522 20 0 GDADMN CCOCCN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736623108 599053370 /nfs/dbraw/zinc/05/33/70/599053370.db2.gz AGDFDXUYACRPHO-NSHDSACASA-N 0 1 385.394 1.828 20 0 GDADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000737741320 599068837 /nfs/dbraw/zinc/06/88/37/599068837.db2.gz WNRSUUFYPKNTES-IBGZPJMESA-N 0 1 391.479 1.253 20 0 GDADMN CC(C)(C)C(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2-c2nn[nH]n2)cc1 ZINC000735589020 599074564 /nfs/dbraw/zinc/07/45/64/599074564.db2.gz HXVDMZYZJWAQGM-UHFFFAOYSA-N 0 1 379.424 1.598 20 0 GDADMN NC(=O)[C@@H](N[C@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730156 599100394 /nfs/dbraw/zinc/10/03/94/599100394.db2.gz HNTYECNSYIBXEY-WMZOPIPTSA-N 0 1 377.452 1.652 20 0 GDADMN COc1ccc(CN2CC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000737090082 599102230 /nfs/dbraw/zinc/10/22/30/599102230.db2.gz ANOORTJBQFREEU-GOSISDBHSA-N 0 1 378.436 1.766 20 0 GDADMN COC1CCC(N(C)C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CC1 ZINC000736959917 599109124 /nfs/dbraw/zinc/10/91/24/599109124.db2.gz BNZGZSNZENPYAX-UHFFFAOYSA-N 0 1 378.458 1.719 20 0 GDADMN O=C([O-])C1CC[NH+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CC1 ZINC000740482316 596915296 /nfs/dbraw/zinc/91/52/96/596915296.db2.gz VITMGWJXBZTPRP-UHFFFAOYSA-N 0 1 389.452 1.500 20 0 GDADMN Cc1c[nH+]c(N2CC[C@H](C(=O)[O-])C2)nc1N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000818970513 596959412 /nfs/dbraw/zinc/95/94/12/596959412.db2.gz FQPKRKDZXZDIMH-KBPBESRZSA-N 0 1 376.457 1.864 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000737023879 599226856 /nfs/dbraw/zinc/22/68/56/599226856.db2.gz HTQAIAMRLFLTMD-ZFWWWQNUSA-N 0 1 386.456 1.339 20 0 GDADMN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)CCC(=O)[O-])c1 ZINC000818463047 596998624 /nfs/dbraw/zinc/99/86/24/596998624.db2.gz MGOVRIYTXWGHBJ-UHFFFAOYSA-N 0 1 391.877 1.325 20 0 GDADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000819375800 597084520 /nfs/dbraw/zinc/08/45/20/597084520.db2.gz ZSUSTHCQYJRMBG-MRXNPFEDSA-N 0 1 387.480 1.612 20 0 GDADMN Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881706 597085681 /nfs/dbraw/zinc/08/56/81/597085681.db2.gz QMWIFBZEBWFLEY-ZDUSSCGKSA-N 0 1 381.860 1.890 20 0 GDADMN CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C(=O)[O-] ZINC000818113649 597220144 /nfs/dbraw/zinc/22/01/44/597220144.db2.gz RNUIHFYFAZSFRS-CKEIUWERSA-N 0 1 391.468 1.460 20 0 GDADMN O=C([O-])c1ccc(CNC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000819188168 597301050 /nfs/dbraw/zinc/30/10/50/597301050.db2.gz CSLQSIFPJMMYPG-IBGZPJMESA-N 0 1 383.448 1.603 20 0 GDADMN COC(=O)c1cccc(NS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1O ZINC000736947997 599262542 /nfs/dbraw/zinc/26/25/42/599262542.db2.gz IZVOYKZABNSVRS-UHFFFAOYSA-N 0 1 389.393 1.468 20 0 GDADMN COc1ccc([C@@H]2[C@@H](C(=O)OC[C@H]3CCC[N@H+]3CC(=O)[O-])CC(=O)N2C)cc1 ZINC000818585246 597455594 /nfs/dbraw/zinc/45/55/94/597455594.db2.gz ADZBXWPUIBZSSX-SIXWZSSISA-N 0 1 390.436 1.307 20 0 GDADMN C[C@@H]1Oc2ccccc2N(CCC(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])C1=O ZINC000818120855 597456872 /nfs/dbraw/zinc/45/68/72/597456872.db2.gz VPAIUPJXJAIOPT-UONOGXRCSA-N 0 1 376.409 1.283 20 0 GDADMN CC(=O)NCC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@@H](C)C(=O)[O-] ZINC000819779856 597673584 /nfs/dbraw/zinc/67/35/84/597673584.db2.gz AMBGCTCMJRAIFD-VIFPVBQESA-N 0 1 378.454 1.297 20 0 GDADMN CC(=O)NCC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)[C@@H](C)C(=O)[O-] ZINC000819779856 597673587 /nfs/dbraw/zinc/67/35/87/597673587.db2.gz AMBGCTCMJRAIFD-VIFPVBQESA-N 0 1 378.454 1.297 20 0 GDADMN Cc1ccc([C@H]([NH2+]CC(=O)NCC(=O)[O-])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000821070176 597747058 /nfs/dbraw/zinc/74/70/58/597747058.db2.gz QJXMZHMVYKBVRU-IBGZPJMESA-N 0 1 390.461 1.278 20 0 GDADMN O=C([O-])CNC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000262282827 597794001 /nfs/dbraw/zinc/79/40/01/597794001.db2.gz XAPJUGKJMQZFSJ-LBPRGKRZSA-N 0 1 378.816 1.770 20 0 GDADMN O=C([O-])CNC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000262282827 597794002 /nfs/dbraw/zinc/79/40/02/597794002.db2.gz XAPJUGKJMQZFSJ-LBPRGKRZSA-N 0 1 378.816 1.770 20 0 GDADMN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735460051 599290486 /nfs/dbraw/zinc/29/04/86/599290486.db2.gz CKDOVVTYTVVBFD-MRXNPFEDSA-N 0 1 382.428 1.181 20 0 GDADMN C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCCCCC(=O)[O-])cc2)CC1 ZINC000820626983 598166396 /nfs/dbraw/zinc/16/63/96/598166396.db2.gz ZCNUOCSLAJDHEV-UHFFFAOYSA-N 0 1 376.457 1.128 20 0 GDADMN COc1cccc([C@@H]2[C@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)CC[N@H+]2C2CC2)c1 ZINC000820865785 598209294 /nfs/dbraw/zinc/20/92/94/598209294.db2.gz YWCKUJMZXNBLQT-KZNAEPCWSA-N 0 1 389.452 1.468 20 0 GDADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736228499 598264928 /nfs/dbraw/zinc/26/49/28/598264928.db2.gz NZZXJXUMBYZTSR-OKILXGFUSA-N 0 1 393.517 1.298 20 0 GDADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736228499 598264930 /nfs/dbraw/zinc/26/49/30/598264930.db2.gz NZZXJXUMBYZTSR-OKILXGFUSA-N 0 1 393.517 1.298 20 0 GDADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736228499 598264931 /nfs/dbraw/zinc/26/49/31/598264931.db2.gz NZZXJXUMBYZTSR-OKILXGFUSA-N 0 1 393.517 1.298 20 0 GDADMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736228499 598264933 /nfs/dbraw/zinc/26/49/33/598264933.db2.gz NZZXJXUMBYZTSR-OKILXGFUSA-N 0 1 393.517 1.298 20 0 GDADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000471945769 598313741 /nfs/dbraw/zinc/31/37/41/598313741.db2.gz YYCZXOWTSFOLOV-LLVKDONJSA-N 0 1 390.407 1.178 20 0 GDADMN CCOCCN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C[C@H]1CC ZINC000736621129 598345359 /nfs/dbraw/zinc/34/53/59/598345359.db2.gz ZZZPYSOROYGRLT-QGZVFWFLSA-N 0 1 387.488 1.238 20 0 GDADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000735560740 598351233 /nfs/dbraw/zinc/35/12/33/598351233.db2.gz GRHZXBHLEPOJQQ-ZIAGYGMSSA-N 0 1 381.444 1.197 20 0 GDADMN Cn1cc(CN2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000737602555 598358337 /nfs/dbraw/zinc/35/83/37/598358337.db2.gz QUSSFOBXMJFQCN-UHFFFAOYSA-N 0 1 382.472 1.187 20 0 GDADMN Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](Cn3cncn3)C2)c(-c2nn[nH]n2)c1C ZINC000737547340 598369036 /nfs/dbraw/zinc/36/90/36/598369036.db2.gz JYXMNEPHVKKMJO-TZMCWYRMSA-N 0 1 399.459 1.407 20 0 GDADMN CCOc1cccc(N2CCN(CCOc3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000736656460 598406403 /nfs/dbraw/zinc/40/64/03/598406403.db2.gz YPGNQIOCELMDJQ-UHFFFAOYSA-N 0 1 395.467 1.861 20 0 GDADMN c1nn2cc(C[NH2+]CC3(c4ccccc4)CCOCC3)cnc2c1-c1nnn[n-]1 ZINC000738428214 598493951 /nfs/dbraw/zinc/49/39/51/598493951.db2.gz MLYMCCPNCHZUAK-UHFFFAOYSA-N 0 1 390.451 1.747 20 0 GDADMN c1nn2cc(C[NH2+]CC3(c4ccccc4)CCOCC3)cnc2c1-c1nn[n-]n1 ZINC000738428214 598493952 /nfs/dbraw/zinc/49/39/52/598493952.db2.gz MLYMCCPNCHZUAK-UHFFFAOYSA-N 0 1 390.451 1.747 20 0 GDADMN CC(C)(C)c1nc(-c2nn[nH]n2)c(NNC(=S)NCCc2cccnc2)o1 ZINC000735657905 598496167 /nfs/dbraw/zinc/49/61/67/598496167.db2.gz XEZRHBSKRCUBJN-UHFFFAOYSA-N 0 1 387.473 1.581 20 0 GDADMN CN(Cc1ccc(F)cc1)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736820552 598503881 /nfs/dbraw/zinc/50/38/81/598503881.db2.gz YBEUSNXSVLKWSY-UHFFFAOYSA-N 0 1 392.394 1.979 20 0 GDADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCc2ccccc2C1 ZINC000737983508 598504840 /nfs/dbraw/zinc/50/48/40/598504840.db2.gz WRUZCJQOOOLGOE-UHFFFAOYSA-N 0 1 386.415 1.767 20 0 GDADMN Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H]([NH2+]C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737547742 598505903 /nfs/dbraw/zinc/50/59/03/598505903.db2.gz KBQJFQOCUUDXRO-TZMCWYRMSA-N 0 1 375.477 1.866 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2nc3c(s2)COCC3)cc1-c1nn[nH]n1 ZINC000737186060 598530197 /nfs/dbraw/zinc/53/01/97/598530197.db2.gz FMRJUAQXQRTSMK-UHFFFAOYSA-N 0 1 391.438 1.471 20 0 GDADMN O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCN(C2CCCC2)CC1 ZINC000737791392 598581202 /nfs/dbraw/zinc/58/12/02/598581202.db2.gz KEAUKIFLLRNUNW-IBGZPJMESA-N 0 1 395.511 1.922 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1-c1nn[nH]n1 ZINC000737187279 598606061 /nfs/dbraw/zinc/60/60/61/598606061.db2.gz PKUREBLEMQUXGT-UHFFFAOYSA-N 0 1 399.392 1.386 20 0 GDADMN CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736765631 598635436 /nfs/dbraw/zinc/63/54/36/598635436.db2.gz ZGBUWLJPRIWGSX-INIZCTEOSA-N 0 1 397.414 1.363 20 0 GDADMN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736722750 598673754 /nfs/dbraw/zinc/67/37/54/598673754.db2.gz SBMANSXPCPRPBW-UHFFFAOYSA-N 0 1 396.436 1.946 20 0 GDADMN O=C1CCC(=O)N1c1ccccc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738301644 598675804 /nfs/dbraw/zinc/67/58/04/598675804.db2.gz QJZKXEROGVYNHK-UHFFFAOYSA-N 0 1 398.404 1.321 20 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/nfs/dbraw/zinc/76/18/52/606761852.db2.gz BNQOCJGFIRRCLM-SECBINFHSA-N 0 1 389.803 1.665 20 0 GDADMN O=C(CN1CCC[C@H]2COCC[C@H]21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822997019 606774714 /nfs/dbraw/zinc/77/47/14/606774714.db2.gz LCJCEKSXIWVTGO-XHDPSFHLSA-N 0 1 376.848 1.960 20 0 GDADMN CC(C)c1ccc(OCCNC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)cc1 ZINC000820192154 606824208 /nfs/dbraw/zinc/82/42/08/606824208.db2.gz FOWCRGKJCKAMIJ-UHFFFAOYSA-N 0 1 382.424 1.347 20 0 GDADMN COc1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1-c1nn[nH]n1 ZINC000821817922 606868050 /nfs/dbraw/zinc/86/80/50/606868050.db2.gz CCXXZVQQWDVFPU-UHFFFAOYSA-N 0 1 385.449 1.495 20 0 GDADMN O=S(=O)(NCc1ccc(Cl)nc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823577859 606887916 /nfs/dbraw/zinc/88/79/16/606887916.db2.gz BRQNZLDGAINXEQ-UHFFFAOYSA-N 0 1 386.771 1.672 20 0 GDADMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821267040 606893838 /nfs/dbraw/zinc/89/38/38/606893838.db2.gz JFHRWSVFHAJRJN-NSHDSACASA-N 0 1 386.428 1.250 20 0 GDADMN CCSCC[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821462324 606894395 /nfs/dbraw/zinc/89/43/95/606894395.db2.gz ZYIAIUINCGAZOC-QMMMGPOBSA-N 0 1 377.442 1.955 20 0 GDADMN CS[C@H]1CC[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821948191 606894456 /nfs/dbraw/zinc/89/44/56/606894456.db2.gz ATILCZUIUNRZTE-IUCAKERBSA-N 0 1 375.426 1.707 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)Cc2cc(Cl)cn2C)cc1-c1nn[nH]n1 ZINC000821969862 606914816 /nfs/dbraw/zinc/91/48/16/606914816.db2.gz GIGZSPDPFYHJMP-UHFFFAOYSA-N 0 1 393.860 1.953 20 0 GDADMN COC(=O)[C@@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1C ZINC000530340214 649970233 /nfs/dbraw/zinc/97/02/33/649970233.db2.gz NEVYPCKRKLOSGP-ZWNOBZJWSA-N 0 1 380.242 1.840 20 0 GDADMN CCOC(=O)[C@@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736591325 607071756 /nfs/dbraw/zinc/07/17/56/607071756.db2.gz UMOGCKACJDELRF-CQSZACIVSA-N 0 1 375.429 1.529 20 0 GDADMN CC[NH+]1CCN(c2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2)CC1 ZINC000821277127 607109870 /nfs/dbraw/zinc/10/98/70/607109870.db2.gz QEQSCVROFSHKGM-UHFFFAOYSA-N 0 1 384.469 1.717 20 0 GDADMN CCOc1ccnc(N2CCCN(Cc3ccc(F)cc3-c3nn[nH]n3)CC2)n1 ZINC000821437674 607149949 /nfs/dbraw/zinc/14/99/49/607149949.db2.gz QUXCFTRJENVBJX-UHFFFAOYSA-N 0 1 398.446 1.907 20 0 GDADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cc(F)c(Cl)cc1Cl ZINC000820334545 607205783 /nfs/dbraw/zinc/20/57/83/607205783.db2.gz NHANHIIRAVZDGP-LURJTMIESA-N 0 1 385.190 1.782 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc2ccccc2n1C(F)F ZINC000820333812 607205881 /nfs/dbraw/zinc/20/58/81/607205881.db2.gz GSNRLWCKBATPQB-MRVPVSSYSA-N 0 1 388.342 1.080 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000823126905 607205943 /nfs/dbraw/zinc/20/59/43/607205943.db2.gz NFHCTCHSGGOBMM-SNVBAGLBSA-N 0 1 376.833 1.465 20 0 GDADMN CC1CC[NH+](Cc2ccccc2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820726906 607207891 /nfs/dbraw/zinc/20/78/91/607207891.db2.gz CSUPWSBVJZSPKL-UHFFFAOYSA-N 0 1 395.471 1.007 20 0 GDADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1c(Cl)ccc(F)c1Cl ZINC000820333434 607208626 /nfs/dbraw/zinc/20/86/26/607208626.db2.gz BPCVDJDHNAOMGH-LURJTMIESA-N 0 1 385.190 1.782 20 0 GDADMN COc1cccc(Cc2cnc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)s2)c1 ZINC000821871629 607208821 /nfs/dbraw/zinc/20/88/21/607208821.db2.gz BRKJKYQWWNKBBL-UHFFFAOYSA-N 0 1 397.424 1.153 20 0 GDADMN Cc1cc(C)n(-c2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2F)n1 ZINC000822197965 607209079 /nfs/dbraw/zinc/20/90/79/607209079.db2.gz WPFZJKLBJVVVCJ-UHFFFAOYSA-N 0 1 382.363 1.039 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000821154071 607209570 /nfs/dbraw/zinc/20/95/70/607209570.db2.gz IIXQWIIKXIKSGJ-ZBFHGGJFSA-N 0 1 395.471 1.142 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000821154071 607209571 /nfs/dbraw/zinc/20/95/71/607209571.db2.gz IIXQWIIKXIKSGJ-ZBFHGGJFSA-N 0 1 395.471 1.142 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000821154071 607209572 /nfs/dbraw/zinc/20/95/72/607209572.db2.gz IIXQWIIKXIKSGJ-ZBFHGGJFSA-N 0 1 395.471 1.142 20 0 GDADMN CCC(CC)(CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC000820887855 607212495 /nfs/dbraw/zinc/21/24/95/607212495.db2.gz UZOKXZKLYVFHJL-UHFFFAOYSA-N 0 1 388.863 1.986 20 0 GDADMN CC(C)(C)OC(=O)Nc1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819945801 607212934 /nfs/dbraw/zinc/21/29/34/607212934.db2.gz FBXRULSZSDHQDP-UHFFFAOYSA-N 0 1 385.388 1.444 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1NC(=O)c1cccs1 ZINC000823136412 607213279 /nfs/dbraw/zinc/21/32/79/607213279.db2.gz ZIBAQXAGKIZCSV-UHFFFAOYSA-N 0 1 395.408 1.411 20 0 GDADMN Cc1c(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cccc1OCC(F)(F)F ZINC000822076786 607213622 /nfs/dbraw/zinc/21/36/22/607213622.db2.gz RWSDXLZMESDSOE-UHFFFAOYSA-N 0 1 382.306 1.346 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCc2c1cccc2Br ZINC000823126968 607213859 /nfs/dbraw/zinc/21/38/59/607213859.db2.gz PAGXADOBYQZCFD-LLVKDONJSA-N 0 1 389.217 1.024 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000823126007 607219084 /nfs/dbraw/zinc/21/90/84/607219084.db2.gz FDMQZKVBHHBVNZ-JTQLQIEISA-N 0 1 386.725 1.531 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000823126986 607222088 /nfs/dbraw/zinc/22/20/88/607222088.db2.gz PYEJWIJKDVKVQR-QGZVFWFLSA-N 0 1 388.435 1.601 20 0 GDADMN CN1CCN(c2ccc(NC(=O)c3ncc(-c4nn[nH]n4)cc3Cl)nc2)CC1 ZINC000821628645 607233834 /nfs/dbraw/zinc/23/38/34/607233834.db2.gz NIJFPFMKNVQFSZ-UHFFFAOYSA-N 0 1 399.846 1.314 20 0 GDADMN c1cn(CC2CCN(Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC2)nn1 ZINC000826524580 607809815 /nfs/dbraw/zinc/80/98/15/607809815.db2.gz ADZYWFWYTJZNPM-UHFFFAOYSA-N 0 1 390.455 1.691 20 0 GDADMN C[C@H](CN1CCN(C)CC1)NC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000824414072 607833974 /nfs/dbraw/zinc/83/39/74/607833974.db2.gz TUFDVPOXVJWUMX-SNVBAGLBSA-N 0 1 398.298 1.539 20 0 GDADMN CC(=O)N1CC[C@H](CN(C)Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000823975114 607848744 /nfs/dbraw/zinc/84/87/44/607848744.db2.gz UTCAGMSNMSTEON-OAHLLOKOSA-N 0 1 380.456 1.488 20 0 GDADMN CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC000826146197 607858197 /nfs/dbraw/zinc/85/81/97/607858197.db2.gz RMTBLIZWMNNIQD-ZACQAIPSSA-N 0 1 386.456 1.464 20 0 GDADMN CC(=O)c1[nH]c(CCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)nc1C ZINC000824034728 607958098 /nfs/dbraw/zinc/95/80/98/607958098.db2.gz NXTWOPZBGXJBTI-UHFFFAOYSA-N 0 1 380.456 1.466 20 0 GDADMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1ccccc1 ZINC000826028813 607982812 /nfs/dbraw/zinc/98/28/12/607982812.db2.gz IHSGOIUUGLUMNE-SJORKVTESA-N 0 1 391.435 1.367 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ccc3ccccc32)c1-c1nnn[n-]1 ZINC000826077535 608019786 /nfs/dbraw/zinc/01/97/86/608019786.db2.gz LLWPZHNIDIOHHN-UHFFFAOYSA-N 0 1 379.428 1.335 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ccc3ccccc32)c1-c1nn[n-]n1 ZINC000826077535 608019787 /nfs/dbraw/zinc/01/97/87/608019787.db2.gz LLWPZHNIDIOHHN-UHFFFAOYSA-N 0 1 379.428 1.335 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2cscn2)c1-c1nnn[n-]1 ZINC000826077556 608019792 /nfs/dbraw/zinc/01/97/92/608019792.db2.gz MCFGPFMUWWPOHY-UHFFFAOYSA-N 0 1 393.502 1.070 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCc2cscn2)c1-c1nn[n-]n1 ZINC000826077556 608019793 /nfs/dbraw/zinc/01/97/93/608019793.db2.gz MCFGPFMUWWPOHY-UHFFFAOYSA-N 0 1 393.502 1.070 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826077858 608019862 /nfs/dbraw/zinc/01/98/62/608019862.db2.gz XSYQWOCOCUUDHW-ZIAGYGMSSA-N 0 1 380.456 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826077858 608019863 /nfs/dbraw/zinc/01/98/63/608019863.db2.gz XSYQWOCOCUUDHW-ZIAGYGMSSA-N 0 1 380.456 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1-c1nnn[n-]1 ZINC000826077805 608020034 /nfs/dbraw/zinc/02/00/34/608020034.db2.gz WKRIVZWSPNSLPJ-VBKZILBWSA-N 0 1 392.467 1.584 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1-c1nn[n-]n1 ZINC000826077805 608020035 /nfs/dbraw/zinc/02/00/35/608020035.db2.gz WKRIVZWSPNSLPJ-VBKZILBWSA-N 0 1 392.467 1.584 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826073105 608021726 /nfs/dbraw/zinc/02/17/26/608021726.db2.gz FDRSBDSTBBLIJV-UHFFFAOYSA-N 0 1 388.819 1.217 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826073105 608021727 /nfs/dbraw/zinc/02/17/27/608021727.db2.gz FDRSBDSTBBLIJV-UHFFFAOYSA-N 0 1 388.819 1.217 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCn2ccc3ccccc32)c1-c1nnn[n-]1 ZINC000826077444 608022267 /nfs/dbraw/zinc/02/22/67/608022267.db2.gz IIXQLMQIHGIFHA-UHFFFAOYSA-N 0 1 393.455 1.725 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCn2ccc3ccccc32)c1-c1nn[n-]n1 ZINC000826077444 608022268 /nfs/dbraw/zinc/02/22/68/608022268.db2.gz IIXQLMQIHGIFHA-UHFFFAOYSA-N 0 1 393.455 1.725 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccccc3C)CC2)c1-c1nnn[n-]1 ZINC000826073161 608022636 /nfs/dbraw/zinc/02/26/36/608022636.db2.gz HDTQBKMUCSFVGT-UHFFFAOYSA-N 0 1 380.456 1.721 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccccc3C)CC2)c1-c1nn[n-]n1 ZINC000826073161 608022637 /nfs/dbraw/zinc/02/26/37/608022637.db2.gz HDTQBKMUCSFVGT-UHFFFAOYSA-N 0 1 380.456 1.721 20 0 GDADMN CS(=O)(=O)c1ccc(-c2nc(Cn3cccc(-c4nn[nH]n4)c3=O)co2)cc1 ZINC000826224107 608055781 /nfs/dbraw/zinc/05/57/81/608055781.db2.gz OPMOUWWMDYLABU-UHFFFAOYSA-N 0 1 398.404 1.135 20 0 GDADMN c1cncc(CN2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826525548 608079902 /nfs/dbraw/zinc/07/99/02/608079902.db2.gz PCCCTFPAWDYDQP-UHFFFAOYSA-N 0 1 379.468 1.848 20 0 GDADMN C[C@H](Cn1ncc2ccccc2c1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000824465397 608113224 /nfs/dbraw/zinc/11/32/24/608113224.db2.gz OCWBKXBZMNALNN-GFCCVEGCSA-N 0 1 379.399 1.894 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sc3nccn3c2C)c1-c1nnn[n-]1 ZINC000826084392 608113910 /nfs/dbraw/zinc/11/39/10/608113910.db2.gz ZRXSLLWSIRLTPF-UHFFFAOYSA-N 0 1 386.445 1.012 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sc3nccn3c2C)c1-c1nn[n-]n1 ZINC000826084392 608113911 /nfs/dbraw/zinc/11/39/11/608113911.db2.gz ZRXSLLWSIRLTPF-UHFFFAOYSA-N 0 1 386.445 1.012 20 0 GDADMN O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C12CCC(CC1)C2 ZINC000826426274 608146574 /nfs/dbraw/zinc/14/65/74/608146574.db2.gz JUIFUFKYRDBFIY-UHFFFAOYSA-N 0 1 383.456 1.961 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCCC23OCCO3)cc1-c1nn[nH]n1 ZINC000826229495 608196978 /nfs/dbraw/zinc/19/69/78/608196978.db2.gz GUNWPWFHJFMGGV-LLVKDONJSA-N 0 1 392.441 1.105 20 0 GDADMN NC(=O)[C@@H](NCCc1nc2c(s1)CCCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389139 608239441 /nfs/dbraw/zinc/23/94/41/608239441.db2.gz QTEBSVUBQXICHZ-INIZCTEOSA-N 0 1 383.481 1.561 20 0 GDADMN CC[N@H+]1C[C@H](C)N(C(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)C[C@@H]1C ZINC000825443492 608246374 /nfs/dbraw/zinc/24/63/74/608246374.db2.gz CPWOZOUZSCYBCZ-RYUDHWBXSA-N 0 1 387.488 1.458 20 0 GDADMN CC[N@@H+]1C[C@H](C)N(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C[C@@H]1C 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CCOC(=O)C1CCN(C(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825499854 608464039 /nfs/dbraw/zinc/46/40/39/608464039.db2.gz VUEFOGWZSRFTDW-CYBMUJFWSA-N 0 1 386.456 1.319 20 0 GDADMN C[C@@H](N[C@@H](C)C(=O)Nc1sccc1C(N)=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824532845 608487815 /nfs/dbraw/zinc/48/78/15/608487815.db2.gz XEBZWDYJOZAQQB-ZJUUUORDSA-N 0 1 385.453 1.705 20 0 GDADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000826412295 608528365 /nfs/dbraw/zinc/52/83/65/608528365.db2.gz JEWVHOWHRNZXNA-IRXDYDNUSA-N 0 1 382.468 1.615 20 0 GDADMN CO[C@@H]1[C@@H](C)[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1(C)C ZINC000826144815 608590570 /nfs/dbraw/zinc/59/05/70/608590570.db2.gz SUVYBRGHYBHLAI-WCDAPOTHSA-N 0 1 387.412 1.483 20 0 GDADMN CN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H](O)COCc1ccccc1 ZINC000825991732 608630700 /nfs/dbraw/zinc/63/07/00/608630700.db2.gz IVNUIWLHJJPYLA-SFHVURJKSA-N 0 1 393.451 1.524 20 0 GDADMN c1csc(N2CCCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)n1 ZINC000826526866 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/nfs/dbraw/zinc/91/75/06/945917506.db2.gz IGTPCMRIXYOIQH-GOOCMWNKSA-N 0 1 399.499 1.648 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000822004498 945917518 /nfs/dbraw/zinc/91/75/18/945917518.db2.gz IGTPCMRIXYOIQH-GOOCMWNKSA-N 0 1 399.499 1.648 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000822005020 945918074 /nfs/dbraw/zinc/91/80/74/945918074.db2.gz NGVVDQXFEBFDLE-GWCFXTLKSA-N 0 1 385.472 1.258 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000822005020 945918083 /nfs/dbraw/zinc/91/80/83/945918083.db2.gz NGVVDQXFEBFDLE-GWCFXTLKSA-N 0 1 385.472 1.258 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000822005020 945918096 /nfs/dbraw/zinc/91/80/96/945918096.db2.gz NGVVDQXFEBFDLE-GWCFXTLKSA-N 0 1 385.472 1.258 20 0 GDADMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](O)C2)c1-c1nn[nH]n1 ZINC000822015816 945920579 /nfs/dbraw/zinc/92/05/79/945920579.db2.gz PCLUMFAKDJULPN-AWEZNQCLSA-N 0 1 399.455 1.322 20 0 GDADMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000822015816 945920586 /nfs/dbraw/zinc/92/05/86/945920586.db2.gz PCLUMFAKDJULPN-AWEZNQCLSA-N 0 1 399.455 1.322 20 0 GDADMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000822015816 945920592 /nfs/dbraw/zinc/92/05/92/945920592.db2.gz PCLUMFAKDJULPN-AWEZNQCLSA-N 0 1 399.455 1.322 20 0 GDADMN O=C(NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289441 946006373 /nfs/dbraw/zinc/00/63/73/946006373.db2.gz DLFHJHRCVUJXFQ-FOLVSLTJSA-N 0 1 388.497 1.149 20 0 GDADMN O=C(NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289441 946006381 /nfs/dbraw/zinc/00/63/81/946006381.db2.gz DLFHJHRCVUJXFQ-FOLVSLTJSA-N 0 1 388.497 1.149 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571289503 946008731 /nfs/dbraw/zinc/00/87/31/946008731.db2.gz GCDLDIPXFPAVDY-ZNMIVQPWSA-N 0 1 388.497 1.673 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571289503 946008736 /nfs/dbraw/zinc/00/87/36/946008736.db2.gz GCDLDIPXFPAVDY-ZNMIVQPWSA-N 0 1 388.497 1.673 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571289500 946010141 /nfs/dbraw/zinc/01/01/41/946010141.db2.gz GCDLDIPXFPAVDY-ILXRZTDVSA-N 0 1 388.497 1.673 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571289500 946010150 /nfs/dbraw/zinc/01/01/50/946010150.db2.gz GCDLDIPXFPAVDY-ILXRZTDVSA-N 0 1 388.497 1.673 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290207 946032173 /nfs/dbraw/zinc/03/21/73/946032173.db2.gz XOWYQSPYSORTES-OCCSQVGLSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290207 946032190 /nfs/dbraw/zinc/03/21/90/946032190.db2.gz XOWYQSPYSORTES-OCCSQVGLSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290207 946032202 /nfs/dbraw/zinc/03/22/02/946032202.db2.gz XOWYQSPYSORTES-OCCSQVGLSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290207 946032214 /nfs/dbraw/zinc/03/22/14/946032214.db2.gz XOWYQSPYSORTES-OCCSQVGLSA-N 0 1 388.497 1.744 20 0 GDADMN O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccoc1Cl ZINC001571290443 946043007 /nfs/dbraw/zinc/04/30/07/946043007.db2.gz FFOXHTRAZFPERN-VHSXEESVSA-N 0 1 388.819 1.478 20 0 GDADMN CN(C(=O)c1cc(C(F)F)[nH]n1)C1CC(Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571292298 946092490 /nfs/dbraw/zinc/09/24/90/946092490.db2.gz XKQPCRBABCBEFJ-UHFFFAOYSA-N 0 1 389.370 1.638 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001571294236 946130066 /nfs/dbraw/zinc/13/00/66/946130066.db2.gz BVOVVRANQOVSBW-ZDUSSCGKSA-N 0 1 389.822 1.992 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCc2cccnc21 ZINC001571294947 946151067 /nfs/dbraw/zinc/15/10/67/946151067.db2.gz MRVMSEATZXWSCB-ROUUACIJSA-N 0 1 389.463 1.682 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C1(c2ccccn2)CC1 ZINC001571295406 946161227 /nfs/dbraw/zinc/16/12/27/946161227.db2.gz SBBXJSRPYVNBDU-QGZVFWFLSA-N 0 1 389.463 1.684 20 0 GDADMN CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001571295493 946164451 /nfs/dbraw/zinc/16/44/51/946164451.db2.gz VGAUYYSYLCYBTO-HNNXBMFYSA-N 0 1 389.529 1.697 20 0 GDADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001571295493 946164458 /nfs/dbraw/zinc/16/44/58/946164458.db2.gz VGAUYYSYLCYBTO-HNNXBMFYSA-N 0 1 389.529 1.697 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC[N@H+]1C ZINC001571295533 946166765 /nfs/dbraw/zinc/16/67/65/946166765.db2.gz WUBIBPDZHNLDPZ-IHRRRGAJSA-N 0 1 389.529 1.349 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnc(C2CC2)nc1 ZINC001571297915 946200507 /nfs/dbraw/zinc/20/05/07/946200507.db2.gz DCMJJMPGOPZSRR-KRWDZBQOSA-N 0 1 390.451 1.538 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@@H](CN(C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571298309 946213860 /nfs/dbraw/zinc/21/38/60/946213860.db2.gz NERDDNRSRXVPAO-SUMWQHHRSA-N 0 1 390.463 1.711 20 0 GDADMN O=C(NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC001571298561 946222476 /nfs/dbraw/zinc/22/24/76/946222476.db2.gz AWEVQTSYNHRUGD-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(NC[C@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCOC1 ZINC001571298561 946222478 /nfs/dbraw/zinc/22/24/78/946222478.db2.gz AWEVQTSYNHRUGD-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN CC[C@H](OC)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC001571298995 946235499 /nfs/dbraw/zinc/23/54/99/946235499.db2.gz GTCOKOKFUFCNCK-AWEZNQCLSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@H](OC)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC001571298995 946235509 /nfs/dbraw/zinc/23/55/09/946235509.db2.gz GTCOKOKFUFCNCK-AWEZNQCLSA-N 0 1 390.513 1.778 20 0 GDADMN O=C(c1sccc1Cl)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571299351 946249632 /nfs/dbraw/zinc/24/96/32/946249632.db2.gz LKPBCQXHFNIHNF-VIFPVBQESA-N 0 1 390.860 1.510 20 0 GDADMN C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571299765 946262250 /nfs/dbraw/zinc/26/22/50/946262250.db2.gz UFXYJUULFLAOEU-VPCSNGCSSA-N 0 1 390.451 1.116 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001571300204 946274374 /nfs/dbraw/zinc/27/43/74/946274374.db2.gz WVAZCXCGYVPFSL-ACJLOTCBSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCOC1 ZINC001571300204 946274384 /nfs/dbraw/zinc/27/43/84/946274384.db2.gz WVAZCXCGYVPFSL-ACJLOTCBSA-N 0 1 390.513 1.826 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(-c3nn[nH]n3)c2)nn1 ZINC001571300142 946274979 /nfs/dbraw/zinc/27/49/79/946274979.db2.gz ZTSQMPCYKJCBHS-NXHRZFHOSA-N 0 1 390.451 1.500 20 0 GDADMN Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571300199 946276068 /nfs/dbraw/zinc/27/60/68/946276068.db2.gz WPCMJTDPPQGHTI-CHWSQXEVSA-N 0 1 390.517 1.199 20 0 GDADMN Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571300199 946276074 /nfs/dbraw/zinc/27/60/74/946276074.db2.gz WPCMJTDPPQGHTI-CHWSQXEVSA-N 0 1 390.517 1.199 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000823131123 946324638 /nfs/dbraw/zinc/32/46/38/946324638.db2.gz CEWFEDWTBBZRSY-UHFFFAOYSA-N 0 1 395.358 1.101 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001571309211 946441712 /nfs/dbraw/zinc/44/17/12/946441712.db2.gz XPLDUVUOMKDFTB-OGBGREFGSA-N 0 1 391.888 1.574 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571309421 946445239 /nfs/dbraw/zinc/44/52/39/946445239.db2.gz ZNMUHWGHVXZQPV-VXGBXAGGSA-N 0 1 392.414 1.519 20 0 GDADMN CC(C)(Cc1ccccc1)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571310572 946476363 /nfs/dbraw/zinc/47/63/63/946476363.db2.gz JHEZQKGXMKBWFY-HNNXBMFYSA-N 0 1 392.467 1.360 20 0 GDADMN Cc1cc(C)nc(C(=O)N2CC[C@@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571315650 946558094 /nfs/dbraw/zinc/55/80/94/946558094.db2.gz NDMWBGUNVBGSDR-HNNXBMFYSA-N 0 1 392.467 1.872 20 0 GDADMN Cc1ccc(C)c(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315844 946560614 /nfs/dbraw/zinc/56/06/14/946560614.db2.gz PHHITYSDDNNRQC-HNNXBMFYSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315852 946561204 /nfs/dbraw/zinc/56/12/04/946561204.db2.gz PTHUIILPEUIRMK-FZKQIMNGSA-N 0 1 392.467 1.279 20 0 GDADMN Cc1cc(N(C)[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316050 946563840 /nfs/dbraw/zinc/56/38/40/946563840.db2.gz SLCPRXQBNKXTKZ-MRXNPFEDSA-N 0 1 392.467 1.635 20 0 GDADMN Cc1cc(NC[C@@]2(C)CCN(C(=O)c3ncccc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316331 946573344 /nfs/dbraw/zinc/57/33/44/946573344.db2.gz ZZFURTVHHOHCJR-HXUWFJFHSA-N 0 1 392.467 1.660 20 0 GDADMN O=C(CCc1cccnc1)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571316340 946573457 /nfs/dbraw/zinc/57/34/57/946573457.db2.gz ACKMFXIWFVSWMS-MRXNPFEDSA-N 0 1 392.467 1.362 20 0 GDADMN Cc1ccnn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1nn[nH]n1 ZINC001571316690 946585262 /nfs/dbraw/zinc/58/52/62/946585262.db2.gz KALAYQWJTLPIAB-CALCHBBNSA-N 0 1 392.467 1.247 20 0 GDADMN O=C(CCn1cccc1)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571317369 946607994 /nfs/dbraw/zinc/60/79/94/946607994.db2.gz FIPYAKKCFJXVPA-SNVBAGLBSA-N 0 1 392.876 1.881 20 0 GDADMN C[C@H](C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1)n1cccc1 ZINC001571317909 946624327 /nfs/dbraw/zinc/62/43/27/946624327.db2.gz XXUOKPJKNIPCPW-SNVBAGLBSA-N 0 1 392.876 1.688 20 0 GDADMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824859279 946951675 /nfs/dbraw/zinc/95/16/75/946951675.db2.gz PJMBWYXMKJUZCB-KDOFPFPSSA-N 0 1 384.484 1.762 20 0 GDADMN CC[N@@H+](CCC1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1)CC(C)C ZINC000825419027 947182410 /nfs/dbraw/zinc/18/24/10/947182410.db2.gz DNMFHLHVNHOFAR-UHFFFAOYSA-N 0 1 389.508 1.065 20 0 GDADMN CC[N@H+](CCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1)CC(C)C ZINC000825419027 947182423 /nfs/dbraw/zinc/18/24/23/947182423.db2.gz DNMFHLHVNHOFAR-UHFFFAOYSA-N 0 1 389.508 1.065 20 0 GDADMN CC[N@@H+](CCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1)CC(C)C ZINC000825419027 947182430 /nfs/dbraw/zinc/18/24/30/947182430.db2.gz DNMFHLHVNHOFAR-UHFFFAOYSA-N 0 1 389.508 1.065 20 0 GDADMN C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586583 947290546 /nfs/dbraw/zinc/29/05/46/947290546.db2.gz REXXXMZNCJTFGO-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586583 947290553 /nfs/dbraw/zinc/29/05/53/947290553.db2.gz REXXXMZNCJTFGO-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573591881 947323074 /nfs/dbraw/zinc/32/30/74/947323074.db2.gz HDHBMLGTELVDGG-SNVBAGLBSA-N 0 1 382.419 1.266 20 0 GDADMN C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573594071 947387090 /nfs/dbraw/zinc/38/70/90/947387090.db2.gz WZKACXGLVGOSCG-VIFPVBQESA-N 0 1 386.382 1.174 20 0 GDADMN COC[C@H]([NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000826150730 947480870 /nfs/dbraw/zinc/48/08/70/947480870.db2.gz KNWLBNXJHQNCDP-HNNXBMFYSA-N 0 1 382.428 1.006 20 0 GDADMN CC(C)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001573603594 947491471 /nfs/dbraw/zinc/49/14/71/947491471.db2.gz IFSTVGRJQSSHRG-ZIAGYGMSSA-N 0 1 388.476 1.145 20 0 GDADMN C[C@@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573616350 947621130 /nfs/dbraw/zinc/62/11/30/947621130.db2.gz IBKCWRDRGYZOPS-JTQLQIEISA-N 0 1 383.378 1.533 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)cc1 ZINC001573354916 947638503 /nfs/dbraw/zinc/63/85/03/947638503.db2.gz KEKNTCOVJLACJX-PHZGNYQRSA-N 0 1 388.435 1.412 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573355850 947645459 /nfs/dbraw/zinc/64/54/59/947645459.db2.gz QWAHPIFQPWRLSB-CQSZACIVSA-N 0 1 376.424 1.556 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)cc1 ZINC001573356543 947651065 /nfs/dbraw/zinc/65/10/65/947651065.db2.gz XVVJHTVPFSRIRX-OAHLLOKOSA-N 0 1 390.451 1.945 20 0 GDADMN C/C(=C/C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1)C1CC1 ZINC001573361649 947693580 /nfs/dbraw/zinc/69/35/80/947693580.db2.gz DFTORSLSWXVKKJ-XGCIQTSOSA-N 0 1 381.484 1.997 20 0 GDADMN C/C(=C\C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21)C1CC1 ZINC001573361614 947694392 /nfs/dbraw/zinc/69/43/92/947694392.db2.gz CMKIZTFMMITDML-LVGYCTEUSA-N 0 1 391.888 1.884 20 0 GDADMN Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1O ZINC000826281756 947811176 /nfs/dbraw/zinc/81/11/76/947811176.db2.gz IVJPILBEQXGDKD-UHFFFAOYSA-N 0 1 395.423 1.709 20 0 GDADMN C[C@@H](C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573638013 947832250 /nfs/dbraw/zinc/83/22/50/947832250.db2.gz YPYBTZSKTBLMKS-CRAIPNDOSA-N 0 1 384.484 1.716 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C1CCC1 ZINC001573638207 947836516 /nfs/dbraw/zinc/83/65/16/947836516.db2.gz JJOJRIJAHJTSIQ-AEGPPILISA-N 0 1 382.472 1.520 20 0 GDADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)[nH]c21 ZINC000826304614 947873507 /nfs/dbraw/zinc/87/35/07/947873507.db2.gz RQZGXISKXPZMET-UHFFFAOYSA-N 0 1 394.370 1.445 20 0 GDADMN C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573647047 947883182 /nfs/dbraw/zinc/88/31/82/947883182.db2.gz BBDBCTRYVPSZRV-CKNLXJGOSA-N 0 1 398.515 1.801 20 0 GDADMN C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001573652147 947931901 /nfs/dbraw/zinc/93/19/01/947931901.db2.gz BGOUNIGBCIZORP-ZMZPIMSZSA-N 0 1 382.428 1.172 20 0 GDADMN Cc1onc(CC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826344646 948012814 /nfs/dbraw/zinc/01/28/14/948012814.db2.gz NMPOOCCJEPVKQQ-CQSZACIVSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC000826344646 948012823 /nfs/dbraw/zinc/01/28/23/948012823.db2.gz NMPOOCCJEPVKQQ-CQSZACIVSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347197 948051656 /nfs/dbraw/zinc/05/16/56/948051656.db2.gz IHLUPZQFEIWUCR-MRXNPFEDSA-N 0 1 395.467 1.734 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347197 948051661 /nfs/dbraw/zinc/05/16/61/948051661.db2.gz IHLUPZQFEIWUCR-MRXNPFEDSA-N 0 1 395.467 1.734 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347197 948051669 /nfs/dbraw/zinc/05/16/69/948051669.db2.gz IHLUPZQFEIWUCR-MRXNPFEDSA-N 0 1 395.467 1.734 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347197 948051673 /nfs/dbraw/zinc/05/16/73/948051673.db2.gz IHLUPZQFEIWUCR-MRXNPFEDSA-N 0 1 395.467 1.734 20 0 GDADMN CC(=O)N(Cc1ccccc1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573414614 948094877 /nfs/dbraw/zinc/09/48/77/948094877.db2.gz LAUYCVKEDVWXNU-INIZCTEOSA-N 0 1 378.440 1.674 20 0 GDADMN C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cccn1 ZINC001573670285 948102221 /nfs/dbraw/zinc/10/22/21/948102221.db2.gz ANSCASCOHDPNTL-LBPRGKRZSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573670386 948102467 /nfs/dbraw/zinc/10/24/67/948102467.db2.gz BIWJMSHHJVOSDN-NWDGAFQWSA-N 0 1 382.403 1.294 20 0 GDADMN CC(=O)N1CCC2(CC1)CN(c1nc(-c3nn[nH]n3)c(Cl)s1)CCO2 ZINC001573439931 948256643 /nfs/dbraw/zinc/25/66/43/948256643.db2.gz WPUZPMQQMZNLKG-UHFFFAOYSA-N 0 1 383.865 1.194 20 0 GDADMN O=C1[C@@H](N2CCC[C@H](n3ccnc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476419 948381235 /nfs/dbraw/zinc/38/12/35/948381235.db2.gz HJSKMMVJTSJZOS-ROUUACIJSA-N 0 1 392.467 1.896 20 0 GDADMN O=C1[C@H](N2CCC([C@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477036 948385273 /nfs/dbraw/zinc/38/52/73/948385273.db2.gz UOZKVKSHSUSLKI-FUHWJXTLSA-N 0 1 382.468 1.721 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573704912 948386914 /nfs/dbraw/zinc/38/69/14/948386914.db2.gz UTZRUSGEAGVUFW-WDEREUQCSA-N 0 1 383.378 1.793 20 0 GDADMN C[C@@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573706128 948413206 /nfs/dbraw/zinc/41/32/06/948413206.db2.gz YTIMBGZKIIQAHQ-VOMCLLRMSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1)C(C)(C)C ZINC001573707987 948441487 /nfs/dbraw/zinc/44/14/87/948441487.db2.gz QORVYMADYLJSJT-OLZOCXBDSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@@H](C(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573714716 948476492 /nfs/dbraw/zinc/47/64/92/948476492.db2.gz JDXOISKEGNAFHL-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C(C)(C)C ZINC001573716562 948501341 /nfs/dbraw/zinc/50/13/41/948501341.db2.gz HWPYPEQJJJPFPA-HZSPNIEDSA-N 0 1 386.504 1.918 20 0 GDADMN C[C@@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cccn1 ZINC001573718043 948514614 /nfs/dbraw/zinc/51/46/14/948514614.db2.gz GYRCSDCLBSXFNM-AWEZNQCLSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573745657 948674532 /nfs/dbraw/zinc/67/45/32/948674532.db2.gz GHPALBOBYLYKLR-GMTAPVOTSA-N 0 1 380.403 1.209 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573746542 948683595 /nfs/dbraw/zinc/68/35/95/948683595.db2.gz KTOMPIAJQGUHAK-XUXIUFHCSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573749513 948701375 /nfs/dbraw/zinc/70/13/75/948701375.db2.gz ZYGQYATXMBCRNX-SDDRHHMPSA-N 0 1 382.403 1.081 20 0 GDADMN CC(F)(F)C1(C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575221829 948752343 /nfs/dbraw/zinc/75/23/43/948752343.db2.gz DQMRRUNBSARWHF-UHFFFAOYSA-N 0 1 392.414 1.425 20 0 GDADMN CC(C)c1cccc(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574417036 948763003 /nfs/dbraw/zinc/76/30/03/948763003.db2.gz JUHUHXJKWNMJTO-UHFFFAOYSA-N 0 1 392.467 1.917 20 0 GDADMN CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1ccncc1-c1nn[nH]n1)C2 ZINC001575223864 948772063 /nfs/dbraw/zinc/77/20/63/948772063.db2.gz GZKLQUXULMUYAE-UHFFFAOYSA-N 0 1 377.399 1.568 20 0 GDADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001573755852 948788045 /nfs/dbraw/zinc/78/80/45/948788045.db2.gz UAMRKBUBKUSFCR-WZRBSPASSA-N 0 1 388.497 1.855 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574080354 948789738 /nfs/dbraw/zinc/78/97/38/948789738.db2.gz PQZSPHSNJHKXTR-WBMJQRKESA-N 0 1 375.452 1.977 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574080666 948802973 /nfs/dbraw/zinc/80/29/73/948802973.db2.gz ULCUVSGOKYGDHT-LQKXBSAESA-N 0 1 376.411 1.546 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574421989 948827955 /nfs/dbraw/zinc/82/79/55/948827955.db2.gz TZIHXXSTJYAMDV-LBPRGKRZSA-N 0 1 382.428 1.772 20 0 GDADMN C[C@@H](CNC(=O)CCCc1cccs1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574918024 948830924 /nfs/dbraw/zinc/83/09/24/948830924.db2.gz FXQVXSAZCXQGNZ-GFCCVEGCSA-N 0 1 386.485 1.327 20 0 GDADMN CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574424184 948846574 /nfs/dbraw/zinc/84/65/74/948846574.db2.gz HMRXRLGBKJPADG-NSHDSACASA-N 0 1 384.469 1.850 20 0 GDADMN CC(C)c1cnc(CNC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)o1 ZINC001574424787 948861315 /nfs/dbraw/zinc/86/13/15/948861315.db2.gz VOJIAZWKVPLYDR-GFCCVEGCSA-N 0 1 384.444 1.558 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573763109 948862196 /nfs/dbraw/zinc/86/21/96/948862196.db2.gz AYOVBXCGNFPLRD-JTQLQIEISA-N 0 1 380.403 1.020 20 0 GDADMN CC(C)c1cnc(CNC2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001574424916 948862457 /nfs/dbraw/zinc/86/24/57/948862457.db2.gz WMWXZBZXWYEBHJ-UHFFFAOYSA-N 0 1 384.444 1.701 20 0 GDADMN CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001574088331 948916644 /nfs/dbraw/zinc/91/66/44/948916644.db2.gz AWTZSRRHZQKUKF-WVZRYYJFSA-N 0 1 385.472 1.194 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575239051 948958201 /nfs/dbraw/zinc/95/82/01/948958201.db2.gz PRLVNWWXNOEUIW-QWRGUYRKSA-N 0 1 380.403 1.353 20 0 GDADMN CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2)C1CC1 ZINC001573772535 948962061 /nfs/dbraw/zinc/96/20/61/948962061.db2.gz ULHGOFCEJCPDHX-CHWSQXEVSA-N 0 1 382.472 1.354 20 0 GDADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001574090257 948981116 /nfs/dbraw/zinc/98/11/16/948981116.db2.gz MKBJWUNXLLMKGC-FKEXNYPISA-N 0 1 381.484 1.839 20 0 GDADMN CC(C)c1nnsc1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574439164 949000204 /nfs/dbraw/zinc/00/02/04/949000204.db2.gz BDDPRDJLKTWIED-UHFFFAOYSA-N 0 1 385.457 1.033 20 0 GDADMN CC(C)(C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001573775500 949045170 /nfs/dbraw/zinc/04/51/70/949045170.db2.gz XWJLEFNLGGCMFQ-AWEZNQCLSA-N 0 1 387.488 1.179 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574441480 949063613 /nfs/dbraw/zinc/06/36/13/949063613.db2.gz MFUOQQCOWWYLGH-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574441480 949063634 /nfs/dbraw/zinc/06/36/34/949063634.db2.gz MFUOQQCOWWYLGH-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001574694374 949074249 /nfs/dbraw/zinc/07/42/49/949074249.db2.gz OJGNJDSPPKWWOR-CJNGLKHVSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)c1occc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001574441795 949077305 /nfs/dbraw/zinc/07/73/05/949077305.db2.gz XHYCAEQKSKMLDZ-AAEUAGOBSA-N 0 1 382.428 1.368 20 0 GDADMN CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001574443132 949103095 /nfs/dbraw/zinc/10/30/95/949103095.db2.gz VDPKTGLWYGQJMC-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@H](CNC(=O)COC1CCCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574930063 949104057 /nfs/dbraw/zinc/10/40/57/949104057.db2.gz JCWQAORUFRVVOT-GFCCVEGCSA-N 0 1 376.436 1.559 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250935 949123207 /nfs/dbraw/zinc/12/32/07/949123207.db2.gz JFLWKUYTLXMTDX-CHWSQXEVSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250935 949123199 /nfs/dbraw/zinc/12/31/99/949123199.db2.gz JFLWKUYTLXMTDX-CHWSQXEVSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574934459 949163523 /nfs/dbraw/zinc/16/35/23/949163523.db2.gz INCSIIDGAWDXNQ-LBPRGKRZSA-N 0 1 385.403 1.421 20 0 GDADMN CC(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574098729 949165194 /nfs/dbraw/zinc/16/51/94/949165194.db2.gz DRYGXNOCAWTKAC-AWEZNQCLSA-N 0 1 378.452 1.303 20 0 GDADMN CC(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574098729 949165206 /nfs/dbraw/zinc/16/52/06/949165206.db2.gz DRYGXNOCAWTKAC-AWEZNQCLSA-N 0 1 378.452 1.303 20 0 GDADMN CC(C)c1ocnc1CN[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574448028 949179788 /nfs/dbraw/zinc/17/97/88/949179788.db2.gz BXMQMGILHDDJKZ-BJHJDKERSA-N 0 1 384.444 1.604 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574698451 949190122 /nfs/dbraw/zinc/19/01/22/949190122.db2.gz LAKDMYJVTPWTCH-NEPJUHHUSA-N 0 1 386.435 1.867 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698938 949216419 /nfs/dbraw/zinc/21/64/19/949216419.db2.gz QERSJCDNHWINLZ-VXGBXAGGSA-N 0 1 378.502 1.680 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698938 949216442 /nfs/dbraw/zinc/21/64/42/949216442.db2.gz QERSJCDNHWINLZ-VXGBXAGGSA-N 0 1 378.502 1.680 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573791495 949221567 /nfs/dbraw/zinc/22/15/67/949221567.db2.gz ARTZNHWEAMVSIR-QGZVFWFLSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573791495 949221589 /nfs/dbraw/zinc/22/15/89/949221589.db2.gz ARTZNHWEAMVSIR-QGZVFWFLSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)c1scnc1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574451561 949240273 /nfs/dbraw/zinc/24/02/73/949240273.db2.gz SKVYBZKPOBNPKX-UHFFFAOYSA-N 0 1 384.469 1.638 20 0 GDADMN CC(C)(C)C(=O)C(=O)NCCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573792572 949255460 /nfs/dbraw/zinc/25/54/60/949255460.db2.gz AUKRIQFKMWDSCM-UHFFFAOYSA-N 0 1 385.472 1.600 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001589605655 949259945 /nfs/dbraw/zinc/25/99/45/949259945.db2.gz UHFBEOZEQQARIX-GOSISDBHSA-N 0 1 382.482 1.283 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001589605655 949259968 /nfs/dbraw/zinc/25/99/68/949259968.db2.gz UHFBEOZEQQARIX-GOSISDBHSA-N 0 1 382.482 1.283 20 0 GDADMN C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)C1 ZINC001576153360 949284907 /nfs/dbraw/zinc/28/49/07/949284907.db2.gz LZSKDQPGJSAQBK-TUVASFSCSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H](NC(=O)C1=COCCC1)[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575258484 949303445 /nfs/dbraw/zinc/30/34/45/949303445.db2.gz IABMKBGYJZOSJV-HTQZYQBOSA-N 0 1 383.865 1.976 20 0 GDADMN CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574457585 949327345 /nfs/dbraw/zinc/32/73/45/949327345.db2.gz KKGJSMYORAQQAN-CYBMUJFWSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@@H](NC(=O)C1CC(F)(F)C1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575261044 949373439 /nfs/dbraw/zinc/37/34/39/949373439.db2.gz ZXBPYIGRKUPCPQ-SECBINFHSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704212 949373713 /nfs/dbraw/zinc/37/37/13/949373713.db2.gz AZFKJJVMZDJSOX-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573801820 949402598 /nfs/dbraw/zinc/40/25/98/949402598.db2.gz ABPAWAGXTGVWNS-HNNXBMFYSA-N 0 1 392.467 1.750 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576155591 949414001 /nfs/dbraw/zinc/41/40/01/949414001.db2.gz JJCVOSYCFSQUKE-HIFRSBDPSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)n1ncc(C(=O)NCCCNc2ccncc2-c2nn[nH]n2)c1Cl ZINC001574468069 949457370 /nfs/dbraw/zinc/45/73/70/949457370.db2.gz HEEKXSKATCZESW-UHFFFAOYSA-N 0 1 389.851 1.346 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576157098 949473466 /nfs/dbraw/zinc/47/34/66/949473466.db2.gz PMPSHXIGPWHYLC-ZIAGYGMSSA-N 0 1 384.488 1.603 20 0 GDADMN CC(C)n1nccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574469211 949478040 /nfs/dbraw/zinc/47/80/40/949478040.db2.gz YUIIPBFXXXCAQD-GFCCVEGCSA-N 0 1 386.485 1.710 20 0 GDADMN CC(C)n1nccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574469211 949478054 /nfs/dbraw/zinc/47/80/54/949478054.db2.gz YUIIPBFXXXCAQD-GFCCVEGCSA-N 0 1 386.485 1.710 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)c1nc[nH]n1 ZINC001576160038 949527248 /nfs/dbraw/zinc/52/72/48/949527248.db2.gz YWHDLARZPUIDNB-PIGZYNQJSA-N 0 1 382.432 1.171 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)c1ncn[nH]1 ZINC001576160038 949527258 /nfs/dbraw/zinc/52/72/58/949527258.db2.gz YWHDLARZPUIDNB-PIGZYNQJSA-N 0 1 382.432 1.171 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872019 949529755 /nfs/dbraw/zinc/52/97/55/949529755.db2.gz FGNUFILECLMWPV-JSGCOSHPSA-N 0 1 384.488 1.957 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574711262 949530988 /nfs/dbraw/zinc/53/09/88/949530988.db2.gz FMFAGJYOQGLBEN-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574711262 949531042 /nfs/dbraw/zinc/53/10/42/949531042.db2.gz FMFAGJYOQGLBEN-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574711262 949531059 /nfs/dbraw/zinc/53/10/59/949531059.db2.gz FMFAGJYOQGLBEN-DTWKUNHWSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574955095 949560860 /nfs/dbraw/zinc/56/08/60/949560860.db2.gz BCOAKFZCZPDOCT-OPRDCNLKSA-N 0 1 398.924 1.258 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574955095 949560882 /nfs/dbraw/zinc/56/08/82/949560882.db2.gz BCOAKFZCZPDOCT-OPRDCNLKSA-N 0 1 398.924 1.258 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574955095 949560898 /nfs/dbraw/zinc/56/08/98/949560898.db2.gz BCOAKFZCZPDOCT-OPRDCNLKSA-N 0 1 398.924 1.258 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574955095 949560908 /nfs/dbraw/zinc/56/09/08/949560908.db2.gz BCOAKFZCZPDOCT-OPRDCNLKSA-N 0 1 398.924 1.258 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956567 949581794 /nfs/dbraw/zinc/58/17/94/949581794.db2.gz KVDMQOSDBHPALV-YVLXSGLVSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574956567 949581818 /nfs/dbraw/zinc/58/18/18/949581818.db2.gz KVDMQOSDBHPALV-YVLXSGLVSA-N 0 1 376.486 1.338 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ncc[nH]1 ZINC001573812051 949613238 /nfs/dbraw/zinc/61/32/38/949613238.db2.gz PTKDJHJHLWUXPW-ZDUSSCGKSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ncc[nH]1 ZINC001573812051 949613255 /nfs/dbraw/zinc/61/32/55/949613255.db2.gz PTKDJHJHLWUXPW-ZDUSSCGKSA-N 0 1 388.501 1.515 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168085 949625819 /nfs/dbraw/zinc/62/58/19/949625819.db2.gz SRFXGPLDPQJXIH-ZYHUDNBSSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957876 949636672 /nfs/dbraw/zinc/63/66/72/949636672.db2.gz BOWCAXDKZUCEKP-LEWSCRJBSA-N 0 1 386.485 1.060 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574957876 949636686 /nfs/dbraw/zinc/63/66/86/949636686.db2.gz BOWCAXDKZUCEKP-LEWSCRJBSA-N 0 1 386.485 1.060 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001573815021 949649663 /nfs/dbraw/zinc/64/96/63/949649663.db2.gz GANZFEDRMMQHGA-CQSZACIVSA-N 0 1 380.456 1.320 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574958332 949666363 /nfs/dbraw/zinc/66/63/63/949666363.db2.gz IZPFRPMNFGHSDR-OXHZDVMGSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574958332 949666381 /nfs/dbraw/zinc/66/63/81/949666381.db2.gz IZPFRPMNFGHSDR-OXHZDVMGSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716336 949690371 /nfs/dbraw/zinc/69/03/71/949690371.db2.gz JPPZNMNFJDCLFE-CHWSQXEVSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@@]1(C(=O)N2C[C@H]3CCN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)C=CCC1 ZINC001575557115 949708235 /nfs/dbraw/zinc/70/82/35/949708235.db2.gz ARICTZNCBDUCEC-QEEYODRMSA-N 0 1 379.468 1.903 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574959832 949719209 /nfs/dbraw/zinc/71/92/09/949719209.db2.gz UVDJZEMVFCMQHZ-VHDGCEQUSA-N 0 1 378.440 1.401 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cncc(F)c1 ZINC001573818281 949726579 /nfs/dbraw/zinc/72/65/79/949726579.db2.gz JTGUVVPTKKRDSX-HNNXBMFYSA-N 0 1 384.419 1.474 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574134733 949731044 /nfs/dbraw/zinc/73/10/44/949731044.db2.gz IWUYIBNKROOLHA-SOUVJXGZSA-N 0 1 384.488 1.909 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccccc1O ZINC001573818322 949731987 /nfs/dbraw/zinc/73/19/87/949731987.db2.gz KRDGIOCNZHJJHC-ZDUSSCGKSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@@H](CC(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574479320 949734304 /nfs/dbraw/zinc/73/43/04/949734304.db2.gz DOMYYUPMZLUJKW-ZDUSSCGKSA-N 0 1 384.488 1.768 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001573819777 949760581 /nfs/dbraw/zinc/76/05/81/949760581.db2.gz VBAUPPKFNSWWSN-JHJVBQTASA-N 0 1 386.504 1.704 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575559683 949762686 /nfs/dbraw/zinc/76/26/86/949762686.db2.gz XWLQVVYDLWSANE-HNAYVOBHSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(F)s1 ZINC001573820709 949768381 /nfs/dbraw/zinc/76/83/81/949768381.db2.gz ZEUGZEXOIKUPHD-JTQLQIEISA-N 0 1 390.448 1.536 20 0 GDADMN C[C@@H](NC(=O)COc1ccc(F)cc1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575281412 949807506 /nfs/dbraw/zinc/80/75/06/949807506.db2.gz FYZUEBORMQFPPA-VXGBXAGGSA-N 0 1 385.403 1.207 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001574481952 949813700 /nfs/dbraw/zinc/81/37/00/949813700.db2.gz XXORCQYKAMAXPC-CHWSQXEVSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001574481952 949813724 /nfs/dbraw/zinc/81/37/24/949813724.db2.gz XXORCQYKAMAXPC-CHWSQXEVSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575561784 949814845 /nfs/dbraw/zinc/81/48/45/949814845.db2.gz CKFFKEOFPIAKHZ-PXNSSMCTSA-N 0 1 384.484 1.764 20 0 GDADMN CC(C)(C)[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CN1CCCC1 ZINC001573823867 949840972 /nfs/dbraw/zinc/84/09/72/949840972.db2.gz ZWSFWUSJEXFGQW-AWEZNQCLSA-N 0 1 390.467 1.439 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001574140793 949844608 /nfs/dbraw/zinc/84/46/08/949844608.db2.gz QISDAAMKGMBGQY-ZTFGCOKTSA-N 0 1 386.500 1.600 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001573824581 949852419 /nfs/dbraw/zinc/85/24/19/949852419.db2.gz HIGBQQFIJACHMR-UHFFFAOYSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001573825246 949866605 /nfs/dbraw/zinc/86/66/05/949866605.db2.gz OEINGENAELDVQW-NKWVEPMBSA-N 0 1 389.869 1.256 20 0 GDADMN CC1(C(=O)N[C@@H]2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575565793 949889969 /nfs/dbraw/zinc/88/99/69/949889969.db2.gz YKHIENLTMQTQMD-ZIAGYGMSSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575565984 949894868 /nfs/dbraw/zinc/89/48/68/949894868.db2.gz ZICCGWXDNDAROP-PXNSSMCTSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178831 949903547 /nfs/dbraw/zinc/90/35/47/949903547.db2.gz CXDQLZDOOVKWCP-RISCZKNCSA-N 0 1 384.469 1.493 20 0 GDADMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001595277161 949931468 /nfs/dbraw/zinc/93/14/68/949931468.db2.gz WYEWWPRVCOMOKN-JKSUJKDBSA-N 0 1 375.425 1.026 20 0 GDADMN CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574146056 949935416 /nfs/dbraw/zinc/93/54/16/949935416.db2.gz WPBBZPDIPBWRHJ-CABCVRRESA-N 0 1 387.488 1.538 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574488023 949935958 /nfs/dbraw/zinc/93/59/58/949935958.db2.gz CDIKEUFIZYMGSD-HBUWYVDXSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576180794 949969543 /nfs/dbraw/zinc/96/95/43/949969543.db2.gz IZSMFOYYMDISOL-FZMZJTMJSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576180794 949969562 /nfs/dbraw/zinc/96/95/62/949969562.db2.gz IZSMFOYYMDISOL-FZMZJTMJSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCCOC1 ZINC001575573735 950003511 /nfs/dbraw/zinc/00/35/11/950003511.db2.gz OKGXZHCDJZEFGJ-RDTXWAMCSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCCOC1 ZINC001575573735 950003530 /nfs/dbraw/zinc/00/35/30/950003530.db2.gz OKGXZHCDJZEFGJ-RDTXWAMCSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181440 950009711 /nfs/dbraw/zinc/00/97/11/950009711.db2.gz IFWIBEVYKBHLSX-ZFWWWQNUSA-N 0 1 381.440 1.416 20 0 GDADMN C[C@H]1CCN(C(=O)CC2CCCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181664 950010421 /nfs/dbraw/zinc/01/04/21/950010421.db2.gz IQOJFDNFTVFHPR-ZFWWWQNUSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181702 950018774 /nfs/dbraw/zinc/01/87/74/950018774.db2.gz JDPXVEJIAAEPOT-TZMCWYRMSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](CC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CC1 ZINC001574490794 950019573 /nfs/dbraw/zinc/01/95/73/950019573.db2.gz ZFBFBRONMMOVLE-YUELXQCFSA-N 0 1 382.472 1.378 20 0 GDADMN CC1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)c2ccccc2)CCC1 ZINC001575574769 950026315 /nfs/dbraw/zinc/02/63/15/950026315.db2.gz YPTZJMQITFVDEG-CQSZACIVSA-N 0 1 378.440 1.538 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccon1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574730888 950035623 /nfs/dbraw/zinc/03/56/23/950035623.db2.gz SKYNAQLMLOTHEW-ZETCQYMHSA-N 0 1 382.837 1.466 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccn[nH]1 ZINC001574150840 950039394 /nfs/dbraw/zinc/03/93/94/950039394.db2.gz FINOGBJOVYCSBJ-AWEZNQCLSA-N 0 1 386.435 1.663 20 0 GDADMN C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)CC(C)(C)C ZINC001574491966 950048846 /nfs/dbraw/zinc/04/88/46/950048846.db2.gz HWEVHTZSCGPWAA-HSBZDZAISA-N 0 1 386.504 1.848 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnco1 ZINC001574151008 950049423 /nfs/dbraw/zinc/04/94/23/950049423.db2.gz JEEQKDIBOHIGLM-LLVKDONJSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnco1 ZINC001574151008 950049445 /nfs/dbraw/zinc/04/94/45/950049445.db2.gz JEEQKDIBOHIGLM-LLVKDONJSA-N 0 1 375.458 1.851 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001576182376 950050432 /nfs/dbraw/zinc/05/04/32/950050432.db2.gz OENVZJXFWOVENF-FZMZJTMJSA-N 0 1 382.432 1.123 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491986 950057861 /nfs/dbraw/zinc/05/78/61/950057861.db2.gz HYALNMGSNXCBNK-UKRRQHHQSA-N 0 1 378.440 1.545 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCCO1 ZINC001574151207 950067168 /nfs/dbraw/zinc/06/71/68/950067168.db2.gz NKOXCLQZHIMRAL-NVXWUHKLSA-N 0 1 390.463 1.805 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575894079 950097819 /nfs/dbraw/zinc/09/78/19/950097819.db2.gz CXMZHEDTNAGSIF-DGCLKSJQSA-N 0 1 386.485 1.445 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575894696 950106567 /nfs/dbraw/zinc/10/65/67/950106567.db2.gz FZQBIXABAXRFIO-BBRMVZONSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576190894 950176826 /nfs/dbraw/zinc/17/68/26/950176826.db2.gz CJNWEMVLARCXBH-CQSZACIVSA-N 0 1 386.504 1.500 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576190894 950176839 /nfs/dbraw/zinc/17/68/39/950176839.db2.gz CJNWEMVLARCXBH-CQSZACIVSA-N 0 1 386.504 1.500 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2csnn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575900072 950190875 /nfs/dbraw/zinc/19/08/75/950190875.db2.gz BRKBYMHTQSZVBP-FZMZJTMJSA-N 0 1 384.469 1.501 20 0 GDADMN CC(C)c1noc([C@H](C)NC[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574983006 950197024 /nfs/dbraw/zinc/19/70/24/950197024.db2.gz ITSSYQNJBOLBCS-QWRGUYRKSA-N 0 1 387.448 1.418 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(C)CCOCC1 ZINC001574157427 950235864 /nfs/dbraw/zinc/23/58/64/950235864.db2.gz BBSDKKRYGJVIED-AWEZNQCLSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573846670 950249178 /nfs/dbraw/zinc/24/91/78/950249178.db2.gz UHVDCHWYOOHCFZ-QUJCMNEKSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccccc1F ZINC001574158025 950266622 /nfs/dbraw/zinc/26/66/22/950266622.db2.gz NADBKKBDADRLFR-LBPRGKRZSA-N 0 1 384.419 1.474 20 0 GDADMN CC1(C(=O)NCCN2CCC(Nc3cccc(F)c3-c3nn[nH]n3)CC2)CC1 ZINC001575592221 950280880 /nfs/dbraw/zinc/28/08/80/950280880.db2.gz DIMQBHNCUYOQQA-UHFFFAOYSA-N 0 1 387.463 1.798 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904674 950282356 /nfs/dbraw/zinc/28/23/56/950282356.db2.gz ACHBILAGEABFLO-WFASDCNBSA-N 0 1 383.481 1.645 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904674 950282364 /nfs/dbraw/zinc/28/23/64/950282364.db2.gz ACHBILAGEABFLO-WFASDCNBSA-N 0 1 383.481 1.645 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)COCC(F)F ZINC001575906030 950302212 /nfs/dbraw/zinc/30/22/12/950302212.db2.gz GBXPVCSXMRAVOB-KOLCDFICSA-N 0 1 386.428 1.289 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)COCC(F)F ZINC001575906030 950302232 /nfs/dbraw/zinc/30/22/32/950302232.db2.gz GBXPVCSXMRAVOB-KOLCDFICSA-N 0 1 386.428 1.289 20 0 GDADMN C[C@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193942 950321929 /nfs/dbraw/zinc/32/19/29/950321929.db2.gz WSBKSYRHEZJMBN-NWDGAFQWSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574501275 950328020 /nfs/dbraw/zinc/32/80/20/950328020.db2.gz CKQSECHUXCSXSO-NXEZZACHSA-N 0 1 384.366 1.330 20 0 GDADMN CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001575594730 950341183 /nfs/dbraw/zinc/34/11/83/950341183.db2.gz VWMTTZKTGYJYHV-BTTYYORXSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)n1ccnc1 ZINC001574502151 950356411 /nfs/dbraw/zinc/35/64/11/950356411.db2.gz JRWNVGDFTUSAGH-HOCLYGCPSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccncc1F ZINC001575908620 950372903 /nfs/dbraw/zinc/37/29/03/950372903.db2.gz VUWAVISXVBLCRF-HZMBPMFUSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccncc1F ZINC001575908620 950372922 /nfs/dbraw/zinc/37/29/22/950372922.db2.gz VUWAVISXVBLCRF-HZMBPMFUSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574507393 950454094 /nfs/dbraw/zinc/45/40/94/950454094.db2.gz IFTCLGTWZDEDCU-VMUDFCTBSA-N 0 1 385.472 1.196 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[nH]n3)cc2)CCOC1 ZINC001575605901 950490851 /nfs/dbraw/zinc/49/08/51/950490851.db2.gz ZRAIPTSPUKAHFR-WWNBULGVSA-N 0 1 382.468 1.515 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(Cl)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574752940 950503433 /nfs/dbraw/zinc/50/34/33/950503433.db2.gz GOPPNKFZXQYBNA-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN CC(C)CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)CCC1 ZINC001574168509 950518803 /nfs/dbraw/zinc/51/88/03/950518803.db2.gz WTZGKFFVSJRLPH-KGLIPLIRSA-N 0 1 384.488 1.957 20 0 GDADMN C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575917389 950568690 /nfs/dbraw/zinc/56/86/90/950568690.db2.gz XEMMOTFROGVKFV-DZGCQCFKSA-N 0 1 386.504 1.641 20 0 GDADMN C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575917389 950568705 /nfs/dbraw/zinc/56/87/05/950568705.db2.gz XEMMOTFROGVKFV-DZGCQCFKSA-N 0 1 386.504 1.641 20 0 GDADMN C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206342 950571141 /nfs/dbraw/zinc/57/11/41/950571141.db2.gz WVJAHKWGAHXZNU-CHWSQXEVSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206342 950571157 /nfs/dbraw/zinc/57/11/57/950571157.db2.gz WVJAHKWGAHXZNU-CHWSQXEVSA-N 0 1 375.452 1.654 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573870120 950587165 /nfs/dbraw/zinc/58/71/65/950587165.db2.gz FATXQCHDGNWUNY-AWEZNQCLSA-N 0 1 390.463 1.902 20 0 GDADMN CCN1CCC([N@@H+]2CCCN(C(=O)Nc3cncc(C(=O)[O-])c3)CC2)CC1 ZINC001589741287 950593331 /nfs/dbraw/zinc/59/33/31/950593331.db2.gz JQMYWYGHPOBEHI-UHFFFAOYSA-N 0 1 375.473 1.804 20 0 GDADMN CCN1CCC([N@H+]2CCCN(C(=O)Nc3cncc(C(=O)[O-])c3)CC2)CC1 ZINC001589741287 950593338 /nfs/dbraw/zinc/59/33/38/950593338.db2.gz JQMYWYGHPOBEHI-UHFFFAOYSA-N 0 1 375.473 1.804 20 0 GDADMN CC1(C)C(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1(C)C ZINC001575617333 950599999 /nfs/dbraw/zinc/59/99/99/950599999.db2.gz ARRNJZOIWPWNSI-LBPRGKRZSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574513364 950606564 /nfs/dbraw/zinc/60/65/64/950606564.db2.gz PRMMUAYMOVVDDZ-NWDGAFQWSA-N 0 1 384.419 1.328 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574758813 950620963 /nfs/dbraw/zinc/62/09/63/950620963.db2.gz IACXNOKSDLEHAW-ZDUSSCGKSA-N 0 1 392.467 1.530 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NCCN(c2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576208967 950622013 /nfs/dbraw/zinc/62/20/13/950622013.db2.gz WJMXIPRFKOVRSX-ZDUSSCGKSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NCCN(c2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576208967 950622030 /nfs/dbraw/zinc/62/20/30/950622030.db2.gz WJMXIPRFKOVRSX-ZDUSSCGKSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575001471 950631322 /nfs/dbraw/zinc/63/13/22/950631322.db2.gz LAXCUUSHLVVUKZ-NSHDSACASA-N 0 1 383.431 1.731 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)CC(C)(C)C ZINC001574516420 950638385 /nfs/dbraw/zinc/63/83/85/950638385.db2.gz IFABSDWCCXJYDH-FOCJUVANSA-N 0 1 384.488 1.670 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575922227 950646254 /nfs/dbraw/zinc/64/62/54/950646254.db2.gz OXIRFRFINGREBZ-SMDDNHRTSA-N 0 1 391.439 1.066 20 0 GDADMN C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575922943 950654078 /nfs/dbraw/zinc/65/40/78/950654078.db2.gz BAUMOVXQQNURKM-CHWSQXEVSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575922943 950654086 /nfs/dbraw/zinc/65/40/86/950654086.db2.gz BAUMOVXQQNURKM-CHWSQXEVSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)(C)O[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2-c2nn[nH]n2)C1(C)C ZINC001573873640 950655064 /nfs/dbraw/zinc/65/50/64/950655064.db2.gz WBBNNNHGVQKMCO-NWDGAFQWSA-N 0 1 380.474 1.522 20 0 GDADMN CCN1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001589744642 950664271 /nfs/dbraw/zinc/66/42/71/950664271.db2.gz YDLMRLIHKRUVTQ-MRXNPFEDSA-N 0 1 376.501 1.686 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccn1 ZINC001575923512 950664363 /nfs/dbraw/zinc/66/43/63/950664363.db2.gz BSZGZAHYSFHHHE-CZUORRHYSA-N 0 1 378.440 1.113 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCn1cccc1 ZINC001575925860 950692622 /nfs/dbraw/zinc/69/26/22/950692622.db2.gz VPLQLCXBMIFHDM-GDBMZVCRSA-N 0 1 380.456 1.367 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575925730 950693296 /nfs/dbraw/zinc/69/32/96/950693296.db2.gz IEBRBFSXJAGHJO-ZUZCIYMTSA-N 0 1 385.378 1.677 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)C1 ZINC001575629058 950730644 /nfs/dbraw/zinc/73/06/44/950730644.db2.gz JRTUKTBWZPXVGI-CYBMUJFWSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](CC(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1)n1cccc1 ZINC001574520434 950730856 /nfs/dbraw/zinc/73/08/56/950730856.db2.gz RTSCDZQVOCTNPF-CYBMUJFWSA-N 0 1 377.412 1.898 20 0 GDADMN CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575629934 950752415 /nfs/dbraw/zinc/75/24/15/950752415.db2.gz VGUJQFSRJZMGIE-IBGZPJMESA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccccc1F ZINC001575927858 950759463 /nfs/dbraw/zinc/75/94/63/950759463.db2.gz VIMHPAWLESYIDI-LRDDRELGSA-N 0 1 381.415 1.467 20 0 GDADMN CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574764778 950761684 /nfs/dbraw/zinc/76/16/84/950761684.db2.gz YDHJUKGLHUINHA-GFCCVEGCSA-N 0 1 381.444 1.170 20 0 GDADMN CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573882004 950762629 /nfs/dbraw/zinc/76/26/29/950762629.db2.gz NJFBRWDWLLOQCN-HNNXBMFYSA-N 0 1 392.467 1.963 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575928033 950767760 /nfs/dbraw/zinc/76/77/60/950767760.db2.gz XUKPFEIASBLHBA-BLLLJJGKSA-N 0 1 391.435 1.334 20 0 GDADMN CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573882128 950768618 /nfs/dbraw/zinc/76/86/18/950768618.db2.gz TWPTVCCVWKRXSK-OAHLLOKOSA-N 0 1 392.467 1.703 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1nccs1 ZINC001575928101 950773901 /nfs/dbraw/zinc/77/39/01/950773901.db2.gz YPSSYRLNMNWIDD-AAEUAGOBSA-N 0 1 384.469 1.174 20 0 GDADMN CC(C)c1noc([C@H](C)NC[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001575009093 950776387 /nfs/dbraw/zinc/77/63/87/950776387.db2.gz NHKWJSJCJHBSRS-QWRGUYRKSA-N 0 1 387.448 1.418 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1ccncc1-c1nn[nH]n1 ZINC001574765141 950776749 /nfs/dbraw/zinc/77/67/49/950776749.db2.gz FZQWLVCWTVTYOU-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)Cc1ccn[nH]1 ZINC001575930181 950790731 /nfs/dbraw/zinc/79/07/31/950790731.db2.gz DVAMDEBWEIFWEU-NOZJJQNGSA-N 0 1 387.835 1.282 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1 ZINC001575632165 950792736 /nfs/dbraw/zinc/79/27/36/950792736.db2.gz CLQRRDNNOLAYGA-ZSOGYDGISA-N 0 1 382.472 1.281 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCO1 ZINC001574523187 950807651 /nfs/dbraw/zinc/80/76/51/950807651.db2.gz MQJSRHPWYWXYCX-GHMZBOCLSA-N 0 1 378.458 1.189 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCO1 ZINC001574523187 950807669 /nfs/dbraw/zinc/80/76/69/950807669.db2.gz MQJSRHPWYWXYCX-GHMZBOCLSA-N 0 1 378.458 1.189 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574523438 950813667 /nfs/dbraw/zinc/81/36/67/950813667.db2.gz NRNIRPYGUOGUKY-NEPJUHHUSA-N 0 1 378.502 1.606 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574523438 950813687 /nfs/dbraw/zinc/81/36/87/950813687.db2.gz NRNIRPYGUOGUKY-NEPJUHHUSA-N 0 1 378.502 1.606 20 0 GDADMN CC(C)C(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001576220179 950828335 /nfs/dbraw/zinc/82/83/35/950828335.db2.gz VYQSTHFZAFYTOU-KBPBESRZSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCn1ccnc1 ZINC001574524369 950857752 /nfs/dbraw/zinc/85/77/52/950857752.db2.gz VZDLUJLRNVTDDY-CHWSQXEVSA-N 0 1 388.501 1.588 20 0 GDADMN C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576221733 950858152 /nfs/dbraw/zinc/85/81/52/950858152.db2.gz WMPMKEUBPABFGZ-NWDGAFQWSA-N 0 1 384.488 1.410 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576222404 950873165 /nfs/dbraw/zinc/87/31/65/950873165.db2.gz YTMFOCJBQAVKPS-QWHCGFSZSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)C[C@H](O)c1ccccc1F ZINC001575012186 950885455 /nfs/dbraw/zinc/88/54/55/950885455.db2.gz XPBNBHGFFALEKN-BZNIZROVSA-N 0 1 387.419 1.118 20 0 GDADMN CC(C)(CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C1CC1 ZINC001573893573 950889001 /nfs/dbraw/zinc/88/90/01/950889001.db2.gz LKNABIYTSQKMBX-CYBMUJFWSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C)C[C@H](NC(=O)[C@H]2CCOC2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575641354 950913792 /nfs/dbraw/zinc/91/37/92/950913792.db2.gz OHRYOSPISKFFGF-UONOGXRCSA-N 0 1 385.472 1.409 20 0 GDADMN CC(C)(C)n1ccc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001573894535 950934888 /nfs/dbraw/zinc/93/48/88/950934888.db2.gz VHRRQMGUVIHJNE-UHFFFAOYSA-N 0 1 381.444 1.010 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575936989 950938386 /nfs/dbraw/zinc/93/83/86/950938386.db2.gz BVSXNWCIGVNJOW-OLZOCXBDSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575936989 950938415 /nfs/dbraw/zinc/93/84/15/950938415.db2.gz BVSXNWCIGVNJOW-OLZOCXBDSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575936989 950938438 /nfs/dbraw/zinc/93/84/38/950938438.db2.gz BVSXNWCIGVNJOW-OLZOCXBDSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575936989 950938461 /nfs/dbraw/zinc/93/84/61/950938461.db2.gz BVSXNWCIGVNJOW-OLZOCXBDSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575937566 950951936 /nfs/dbraw/zinc/95/19/36/950951936.db2.gz KQBMZCVSUVFXHT-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575937566 950951947 /nfs/dbraw/zinc/95/19/47/950951947.db2.gz KQBMZCVSUVFXHT-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)(CC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573898131 950974143 /nfs/dbraw/zinc/97/41/43/950974143.db2.gz XPBRBBKAZBKQJM-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)CCCN1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001574195366 950985055 /nfs/dbraw/zinc/98/50/55/950985055.db2.gz MIACGKLYGYYDRJ-CQSZACIVSA-N 0 1 387.488 1.594 20 0 GDADMN CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573899831 950988082 /nfs/dbraw/zinc/98/80/82/950988082.db2.gz KTBUKYANNIIPBH-JTQLQIEISA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@@H]1CCCCO1 ZINC001574774445 950999588 /nfs/dbraw/zinc/99/95/88/950999588.db2.gz CNLMVFCDILGWAT-ZFWWWQNUSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@H](N[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccc(F)cc1F ZINC001575019165 951034132 /nfs/dbraw/zinc/03/41/32/951034132.db2.gz SLKXHGLIWZFDAQ-VHSXEESVSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N[C@@H](C)c1ccc(F)cc1F ZINC001575019166 951034383 /nfs/dbraw/zinc/03/43/83/951034383.db2.gz SLKXHGLIWZFDAQ-ZJUUUORDSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575023755 951083163 /nfs/dbraw/zinc/08/31/63/951083163.db2.gz PGEUCDHMDZBFTN-MRVPVSSYSA-N 0 1 392.345 1.386 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H]2CCCOC2)c(C(=O)[O-])c1C ZINC001591425982 951136336 /nfs/dbraw/zinc/13/63/36/951136336.db2.gz MLUGSHXSXMZYFX-LLVKDONJSA-N 0 1 384.454 1.981 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H]2CCCOC2)c(C(=O)[O-])c1C ZINC001591425982 951136341 /nfs/dbraw/zinc/13/63/41/951136341.db2.gz MLUGSHXSXMZYFX-LLVKDONJSA-N 0 1 384.454 1.981 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(C2CC2)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575028014 951165857 /nfs/dbraw/zinc/16/58/57/951165857.db2.gz SQHYCPHHKQPCAL-GFCCVEGCSA-N 0 1 378.440 1.434 20 0 GDADMN C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575035448 951272980 /nfs/dbraw/zinc/27/29/80/951272980.db2.gz IMYCTSPWUVRHGI-GFCCVEGCSA-N 0 1 378.440 1.789 20 0 GDADMN C[C@@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054294 951492102 /nfs/dbraw/zinc/49/21/02/951492102.db2.gz HZBGFRWDZNPMRL-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@@H](CNC(=O)c1cnn2c1CCC2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054294 951492109 /nfs/dbraw/zinc/49/21/09/951492109.db2.gz HZBGFRWDZNPMRL-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054613 951493699 /nfs/dbraw/zinc/49/36/99/951493699.db2.gz JCOLUFQZKRGTOH-SNVBAGLBSA-N 0 1 378.437 1.002 20 0 GDADMN C[C@H](CNC(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575054613 951493705 /nfs/dbraw/zinc/49/37/05/951493705.db2.gz JCOLUFQZKRGTOH-SNVBAGLBSA-N 0 1 378.437 1.002 20 0 GDADMN C[C@H](CNC(=O)c1n[nH]c2c1CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575062439 951567857 /nfs/dbraw/zinc/56/78/57/951567857.db2.gz WBGIAFUJLPRVHI-SNVBAGLBSA-N 0 1 384.419 1.126 20 0 GDADMN C[C@H](CNC(=O)c1cscc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575062488 951568747 /nfs/dbraw/zinc/56/87/47/951568747.db2.gz WVCRDZFPTRGFTH-SSDOTTSWSA-N 0 1 380.384 1.308 20 0 GDADMN C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575069354 951642097 /nfs/dbraw/zinc/64/20/97/951642097.db2.gz HZWVFRVUTNCVEQ-QMMMGPOBSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@H](CNCc1cc(O)ccc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575079418 951691017 /nfs/dbraw/zinc/69/10/17/951691017.db2.gz DSKFTVMNFVHODB-SNVBAGLBSA-N 0 1 389.847 1.804 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575089515 951751505 /nfs/dbraw/zinc/75/15/05/951751505.db2.gz GITNKWMXWAJVBJ-STQMWFEESA-N 0 1 376.436 1.369 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575089903 951754774 /nfs/dbraw/zinc/75/47/74/951754774.db2.gz IIAKVADUDQVSOP-ORAYPTAESA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CNC(=O)COc1cccnc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098728 951825530 /nfs/dbraw/zinc/82/55/30/951825530.db2.gz FQYCWURAQKXRDM-LBPRGKRZSA-N 0 1 387.469 1.244 20 0 GDADMN C[C@H](CNC(=O)COc1cccnc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098728 951825538 /nfs/dbraw/zinc/82/55/38/951825538.db2.gz FQYCWURAQKXRDM-LBPRGKRZSA-N 0 1 387.469 1.244 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099447 951834836 /nfs/dbraw/zinc/83/48/36/951834836.db2.gz MHKQFKLMFKNWLS-SNVBAGLBSA-N 0 1 386.485 1.684 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099447 951834847 /nfs/dbraw/zinc/83/48/47/951834847.db2.gz MHKQFKLMFKNWLS-SNVBAGLBSA-N 0 1 386.485 1.684 20 0 GDADMN C[C@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101126 951853406 /nfs/dbraw/zinc/85/34/06/951853406.db2.gz ZVHQCIJUUSHLKQ-NSHDSACASA-N 0 1 391.526 1.859 20 0 GDADMN C[C@H](CNC(=O)CCc1cscn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101126 951853410 /nfs/dbraw/zinc/85/34/10/951853410.db2.gz ZVHQCIJUUSHLKQ-NSHDSACASA-N 0 1 391.526 1.859 20 0 GDADMN C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)c1cccc2c[nH]nc21 ZINC001575122973 952006828 /nfs/dbraw/zinc/00/68/28/952006828.db2.gz BGUACONNDAATAR-LLVKDONJSA-N 0 1 377.412 1.711 20 0 GDADMN O=C([O-])Cc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001595135955 952052593 /nfs/dbraw/zinc/05/25/93/952052593.db2.gz JAANFKHLXHPSEG-UHFFFAOYSA-N 0 1 377.441 1.317 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575136881 952128903 /nfs/dbraw/zinc/12/89/03/952128903.db2.gz QRBKJDWKMCNUHU-SCLBCKFNSA-N 0 1 382.472 1.356 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575143524 952154174 /nfs/dbraw/zinc/15/41/74/952154174.db2.gz QBOGWLHYCXSUEJ-ZUOKHONESA-N 0 1 392.467 1.242 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575144735 952170432 /nfs/dbraw/zinc/17/04/32/952170432.db2.gz XTEGMPDKEJRQNX-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001575144713 952170827 /nfs/dbraw/zinc/17/08/27/952170827.db2.gz KQUJQCURDALEON-ZDUSSCGKSA-N 0 1 390.451 1.611 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575145454 952184787 /nfs/dbraw/zinc/18/47/87/952184787.db2.gz XWMFTXIWAKEQFA-YJYMSZOUSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575146015 952190286 /nfs/dbraw/zinc/19/02/86/952190286.db2.gz FVPVYKWVVSTSKS-LBPRGKRZSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575146198 952191971 /nfs/dbraw/zinc/19/19/71/952191971.db2.gz HVELGZLJLOUVSP-GFCCVEGCSA-N 0 1 380.456 1.463 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575146807 952196665 /nfs/dbraw/zinc/19/66/65/952196665.db2.gz NXEFMTLBCBXHCK-NSHDSACASA-N 0 1 382.428 1.512 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)Cc1ccon1 ZINC001575164343 952291508 /nfs/dbraw/zinc/29/15/08/952291508.db2.gz DMAUYVBDJZVLIU-ZETCQYMHSA-N 0 1 382.837 1.466 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575165596 952312346 /nfs/dbraw/zinc/31/23/46/952312346.db2.gz PYIOQFGEORFLAF-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575165596 952312356 /nfs/dbraw/zinc/31/23/56/952312356.db2.gz PYIOQFGEORFLAF-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN O=C([C@@H]1Cc2ccccc21)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571117141 952479159 /nfs/dbraw/zinc/47/91/59/952479159.db2.gz HDPKXHXSAAXRBI-GDBMZVCRSA-N 0 1 375.436 1.426 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575201122 952500826 /nfs/dbraw/zinc/50/08/26/952500826.db2.gz HEEDDXXASOVOQC-ZDUSSCGKSA-N 0 1 380.456 1.111 20 0 GDADMN CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)CC(=O)[O-] ZINC001602904208 971839703 /nfs/dbraw/zinc/83/97/03/971839703.db2.gz QJPVFKQDJPQBDL-ZDUSSCGKSA-N 0 1 378.491 1.255 20 0 GDADMN CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCS(=O)(=O)CC(=O)[O-] ZINC001602904208 971839710 /nfs/dbraw/zinc/83/97/10/971839710.db2.gz QJPVFKQDJPQBDL-ZDUSSCGKSA-N 0 1 378.491 1.255 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001575202256 952511895 /nfs/dbraw/zinc/51/18/95/952511895.db2.gz UXIXSNKBCROKNG-JTQLQIEISA-N 0 1 385.407 1.063 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001575202735 952516540 /nfs/dbraw/zinc/51/65/40/952516540.db2.gz XSJMTYYTXQPGRN-RYUDHWBXSA-N 0 1 386.435 1.549 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575203327 952521039 /nfs/dbraw/zinc/52/10/39/952521039.db2.gz TZWDRXRBOQBGMM-MNOVXSKESA-N 0 1 387.423 1.262 20 0 GDADMN O=C(C[C@H]1CCCOC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123119 952529447 /nfs/dbraw/zinc/52/94/47/952529447.db2.gz PMJLHIZPCRALCS-UPJWGTAASA-N 0 1 376.486 1.482 20 0 GDADMN O=C(C[C@H]1CCCOC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123119 952529454 /nfs/dbraw/zinc/52/94/54/952529454.db2.gz PMJLHIZPCRALCS-UPJWGTAASA-N 0 1 376.486 1.482 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001575207845 952534282 /nfs/dbraw/zinc/53/42/82/952534282.db2.gz TXEYVGWKXVHAFA-VXGBXAGGSA-N 0 1 388.501 1.135 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001575207845 952534284 /nfs/dbraw/zinc/53/42/84/952534284.db2.gz TXEYVGWKXVHAFA-VXGBXAGGSA-N 0 1 388.501 1.135 20 0 GDADMN CC1(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001571124712 952542619 /nfs/dbraw/zinc/54/26/19/952542619.db2.gz RWPDSYGCYAFWOW-LLVKDONJSA-N 0 1 377.399 1.379 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2csc(C(N)=O)c2)cc1-c1nn[nH]n1 ZINC001571124823 952545200 /nfs/dbraw/zinc/54/52/00/952545200.db2.gz VTMHTQPDCJCBOG-UHFFFAOYSA-N 0 1 377.411 1.102 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCc2scnc2C)cc1-c1nn[nH]n1 ZINC001571127198 952551444 /nfs/dbraw/zinc/55/14/44/952551444.db2.gz BBCXXBQMKMCQEJ-UHFFFAOYSA-N 0 1 377.455 1.427 20 0 GDADMN Cc1ccncc1C(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571127415 952555736 /nfs/dbraw/zinc/55/57/36/952555736.db2.gz GWSKUSPTMIUWEU-UHFFFAOYSA-N 0 1 377.452 1.918 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575214503 952565221 /nfs/dbraw/zinc/56/52/21/952565221.db2.gz LMSFLTRWEIEOCB-VIFPVBQESA-N 0 1 388.444 1.176 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575214503 952565228 /nfs/dbraw/zinc/56/52/28/952565228.db2.gz LMSFLTRWEIEOCB-VIFPVBQESA-N 0 1 388.444 1.176 20 0 GDADMN O=C(C[C@@H]1CCCC1(F)F)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571130180 952579681 /nfs/dbraw/zinc/57/96/81/952579681.db2.gz PFOHIKSFAOYCQY-QWRGUYRKSA-N 0 1 378.387 1.177 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](CNC(=O)c3cnccc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134457 952591135 /nfs/dbraw/zinc/59/11/35/952591135.db2.gz IITGSVYDYGFLTM-HDJSIYSDSA-N 0 1 378.440 1.316 20 0 GDADMN Cc1[nH]ccc1C(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571134638 952593160 /nfs/dbraw/zinc/59/31/60/952593160.db2.gz IWKDPHTXQZCQPV-MKZZRHPPSA-N 0 1 378.440 1.319 20 0 GDADMN Cc1cccc(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571134832 952596262 /nfs/dbraw/zinc/59/62/62/952596262.db2.gz OCOGZJZRCOUWCD-HNNXBMFYSA-N 0 1 378.440 1.754 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001571134868 952596632 /nfs/dbraw/zinc/59/66/32/952596632.db2.gz MADLJBJWHNCMQP-ZFWWWQNUSA-N 0 1 378.440 1.285 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)cn1 ZINC001571134821 952596646 /nfs/dbraw/zinc/59/66/46/952596646.db2.gz NLVVWEKKSUYSCM-CJNGLKHVSA-N 0 1 378.440 1.671 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cncnc2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135569 952605718 /nfs/dbraw/zinc/60/57/18/952605718.db2.gz XFMILKGEMUIUNJ-CXAGYDPISA-N 0 1 378.440 1.440 20 0 GDADMN O=C(Cc1ccccc1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571141100 952630715 /nfs/dbraw/zinc/63/07/15/952630715.db2.gz GSCWHWNBCAUDLN-OAHLLOKOSA-N 0 1 378.440 1.114 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571141041 952630875 /nfs/dbraw/zinc/63/08/75/952630875.db2.gz FZNFZUFAYYIELO-HXOUQKOFSA-N 0 1 378.480 1.849 20 0 GDADMN COc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571142451 952642346 /nfs/dbraw/zinc/64/23/46/952642346.db2.gz WSARQBOAYGPQRD-INIZCTEOSA-N 0 1 379.424 1.275 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001571142693 952645444 /nfs/dbraw/zinc/64/54/44/952645444.db2.gz VQQSQRQXPXXOJI-GFCCVEGCSA-N 0 1 378.502 1.512 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001571142693 952645448 /nfs/dbraw/zinc/64/54/48/952645448.db2.gz VQQSQRQXPXXOJI-GFCCVEGCSA-N 0 1 378.502 1.512 20 0 GDADMN O=C(c1ccn[nH]1)N1CCC[C@@H](Nc2snc(Cl)c2-c2nn[nH]n2)C1 ZINC001571152265 952682301 /nfs/dbraw/zinc/68/23/01/952682301.db2.gz GNMJREDPWXCUGA-SSDOTTSWSA-N 0 1 379.837 1.416 20 0 GDADMN Cc1cc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ncn1 ZINC001571157098 952705531 /nfs/dbraw/zinc/70/55/31/952705531.db2.gz MJQSCDIOBCFNGH-CYBMUJFWSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571157895 952707952 /nfs/dbraw/zinc/70/79/52/952707952.db2.gz BVVSRBWTWYWNPV-GFCCVEGCSA-N 0 1 380.412 1.070 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3coc(C4CC4)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159275 952718419 /nfs/dbraw/zinc/71/84/19/952718419.db2.gz SPNIVBWBVAGFOC-LBPRGKRZSA-N 0 1 380.412 1.444 20 0 GDADMN Cc1cccnc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC001571169807 952779703 /nfs/dbraw/zinc/77/97/03/952779703.db2.gz NZRNTRVUUBBCHR-ZFWWWQNUSA-N 0 1 380.456 1.681 20 0 GDADMN CCn1nccc1C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571170871 952789811 /nfs/dbraw/zinc/78/98/11/952789811.db2.gz YGSIBERBNUXQET-UHFFFAOYSA-N 0 1 380.456 1.431 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)n1C ZINC001571170923 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ZINC001571212163 953085176 /nfs/dbraw/zinc/08/51/76/953085176.db2.gz KFYQGQUFTPRGNE-YPMHNXCESA-N 0 1 382.432 1.089 20 0 GDADMN C[C@H]1C[C@@H]1C(=O)N1CCC2(CC1)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571212549 953089497 /nfs/dbraw/zinc/08/94/97/953089497.db2.gz NDKCEFMHKVRBKF-KBPBESRZSA-N 0 1 382.472 1.522 20 0 GDADMN CC1(C)CC(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571212559 953089723 /nfs/dbraw/zinc/08/97/23/953089723.db2.gz NEUHOPBJLHJSHB-JSGCOSHPSA-N 0 1 382.472 1.520 20 0 GDADMN CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCC2)c1ccnc(-c2nn[nH]n2)n1 ZINC001571212985 953091236 /nfs/dbraw/zinc/09/12/36/953091236.db2.gz PFTWITZIXYDDIT-KBPBESRZSA-N 0 1 382.472 1.664 20 0 GDADMN O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCC12CC2 ZINC001571217348 953106774 /nfs/dbraw/zinc/10/67/74/953106774.db2.gz FWGDDBVZBNNNQT-KGLIPLIRSA-N 0 1 382.472 1.570 20 0 GDADMN Cc1ncoc1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571227107 953158274 /nfs/dbraw/zinc/15/82/74/953158274.db2.gz 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GDADMN Cc1cc(C(=O)NC[C@H]2CCCN2Cc2cc(F)ccc2-c2nn[nH]n2)[nH]n1 ZINC001571239172 953236763 /nfs/dbraw/zinc/23/67/63/953236763.db2.gz HEMOJHDKDBLEAN-CQSZACIVSA-N 0 1 384.419 1.432 20 0 GDADMN Cc1cnn(C)c1C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571241878 953250558 /nfs/dbraw/zinc/25/05/58/953250558.db2.gz OHSAYLDSRYELPU-CQSZACIVSA-N 0 1 384.419 1.052 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)[nH]1 ZINC001571241944 953251415 /nfs/dbraw/zinc/25/14/15/953251415.db2.gz QJLCOFCWCBVAHQ-CQSZACIVSA-N 0 1 384.419 1.350 20 0 GDADMN CCc1nocc1CN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C ZINC001571242970 953261959 /nfs/dbraw/zinc/26/19/59/953261959.db2.gz SFQNJNLURRAUGZ-AAEUAGOBSA-N 0 1 384.444 1.528 20 0 GDADMN CCc1cnc(CNC[C@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571243081 953262632 /nfs/dbraw/zinc/26/26/32/953262632.db2.gz VIMFKPFPARWBLC-DGCLKSJQSA-N 0 1 384.444 1.434 20 0 GDADMN Cn1nccc1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)s1)C2 ZINC001571248185 953290540 /nfs/dbraw/zinc/29/05/40/953290540.db2.gz MZVSJQROQJHSTQ-UHFFFAOYSA-N 0 1 384.469 1.010 20 0 GDADMN Cn1nccc1C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001571248185 953290543 /nfs/dbraw/zinc/29/05/43/953290543.db2.gz MZVSJQROQJHSTQ-UHFFFAOYSA-N 0 1 384.469 1.010 20 0 GDADMN Cn1nccc1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001571248185 953290545 /nfs/dbraw/zinc/29/05/45/953290545.db2.gz MZVSJQROQJHSTQ-UHFFFAOYSA-N 0 1 384.469 1.010 20 0 GDADMN CC(=O)N1CCC[C@@H](C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CCCC2)C1 ZINC001571250230 953309615 /nfs/dbraw/zinc/30/96/15/953309615.db2.gz OSYVUBDIYWXLBM-HOCLYGCPSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001571251136 953314700 /nfs/dbraw/zinc/31/47/00/953314700.db2.gz WEVVPAIKCFJBIM-OCCSQVGLSA-N 0 1 384.488 1.554 20 0 GDADMN CN1CCC[C@H]1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571251820 953320645 /nfs/dbraw/zinc/32/06/45/953320645.db2.gz ANNPZIAGHXGXOY-CVEARBPZSA-N 0 1 384.488 1.539 20 0 GDADMN Cc1nc(N2CC[C@H](N(C)C(=O)[C@H]3CCCCN3C)C2)ccc1-c1nn[nH]n1 ZINC001571252865 953333603 /nfs/dbraw/zinc/33/36/03/953333603.db2.gz XMINUDZKMALTTA-GOEBONIOSA-N 0 1 384.488 1.092 20 0 GDADMN CN(Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571255725 953354567 /nfs/dbraw/zinc/35/45/67/953354567.db2.gz SSEBJMVBMXLQQH-CQSZACIVSA-N 0 1 385.403 1.730 20 0 GDADMN CCc1[nH]c(C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cc1C(=O)OC ZINC001593625715 953549107 /nfs/dbraw/zinc/54/91/07/953549107.db2.gz QQBARZSDEUICEW-GFCCVEGCSA-N 0 1 377.441 1.261 20 0 GDADMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000530207863 953559700 /nfs/dbraw/zinc/55/97/00/953559700.db2.gz RVHBPTJUYVMGIO-FQEVSTJZSA-N 0 1 379.501 1.613 20 0 GDADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000530207863 953559711 /nfs/dbraw/zinc/55/97/11/953559711.db2.gz RVHBPTJUYVMGIO-FQEVSTJZSA-N 0 1 379.501 1.613 20 0 GDADMN C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CC[N@H+]1C ZINC001589289698 953590472 /nfs/dbraw/zinc/59/04/72/953590472.db2.gz LYJJQPPPVGRQQZ-TYILLQQXSA-N 0 1 399.488 1.018 20 0 GDADMN C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccc(F)cc1 ZINC000563535496 953600570 /nfs/dbraw/zinc/60/05/70/953600570.db2.gz XQFVEQVIORNSNK-IPYPFGDCSA-N 0 1 379.432 1.304 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1C(=O)[O-] ZINC000563810774 953602061 /nfs/dbraw/zinc/60/20/61/953602061.db2.gz SFFVRNWRDDAHGV-JSGCOSHPSA-N 0 1 391.424 1.539 20 0 GDADMN C[C@@H](CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000571557585 953663981 /nfs/dbraw/zinc/66/39/81/953663981.db2.gz WVXITVWOONVQAQ-ZIFCJYIRSA-N 0 1 388.512 1.949 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000581131290 953717798 /nfs/dbraw/zinc/71/77/98/953717798.db2.gz MZAHMOWEFWLJNY-PWSUYJOCSA-N 0 1 378.820 1.297 20 0 GDADMN 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/nfs/dbraw/zinc/34/58/54/606345854.db2.gz QGOOKSBWYWMATI-CYBMUJFWSA-N 0 1 377.424 1.580 20 0 GDADMN O=C(c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1)N1CCOCC1 ZINC000823488947 606408145 /nfs/dbraw/zinc/40/81/45/606408145.db2.gz ZHNYWPCGBYYCJJ-UHFFFAOYSA-N 0 1 384.465 1.690 20 0 GDADMN O=C(c1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1)N1CCOCC1 ZINC000823488947 606408147 /nfs/dbraw/zinc/40/81/47/606408147.db2.gz ZHNYWPCGBYYCJJ-UHFFFAOYSA-N 0 1 384.465 1.690 20 0 GDADMN O=C1CCC(c2ccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)cc2)=NN1 ZINC000823525869 606431126 /nfs/dbraw/zinc/43/11/26/606431126.db2.gz UYLPVBSAOSIWOL-UHFFFAOYSA-N 0 1 397.420 1.282 20 0 GDADMN COC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000821684770 606520996 /nfs/dbraw/zinc/52/09/96/606520996.db2.gz KCVCUPDYUPNLGE-NSHDSACASA-N 0 1 376.486 1.856 20 0 GDADMN COC[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000821684770 606520998 /nfs/dbraw/zinc/52/09/98/606520998.db2.gz KCVCUPDYUPNLGE-NSHDSACASA-N 0 1 376.486 1.856 20 0 GDADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000823092797 606528364 /nfs/dbraw/zinc/52/83/64/606528364.db2.gz LJVYYIJJAJDGRK-UHFFFAOYSA-N 0 1 377.452 1.585 20 0 GDADMN CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821189838 606551126 /nfs/dbraw/zinc/55/11/26/606551126.db2.gz VSTGAPDJPDWYBT-UHFFFAOYSA-N 0 1 385.394 1.998 20 0 GDADMN CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821189838 606551128 /nfs/dbraw/zinc/55/11/28/606551128.db2.gz VSTGAPDJPDWYBT-UHFFFAOYSA-N 0 1 385.394 1.998 20 0 GDADMN O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823250518 606562441 /nfs/dbraw/zinc/56/24/41/606562441.db2.gz ZHUBLGZFIVQFJH-UHFFFAOYSA-N 0 1 398.492 1.815 20 0 GDADMN O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261295 606580068 /nfs/dbraw/zinc/58/00/68/606580068.db2.gz GERIBAOXWFRWKP-UHFFFAOYSA-N 0 1 398.492 1.815 20 0 GDADMN O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823483812 606581509 /nfs/dbraw/zinc/58/15/09/606581509.db2.gz ODWYWQRQLKETEA-UHFFFAOYSA-N 0 1 376.486 1.645 20 0 GDADMN O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823483812 606581511 /nfs/dbraw/zinc/58/15/11/606581511.db2.gz ODWYWQRQLKETEA-UHFFFAOYSA-N 0 1 376.486 1.645 20 0 GDADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823154809 606671654 /nfs/dbraw/zinc/67/16/54/606671654.db2.gz KQSJNTDIZUQSAG-UHFFFAOYSA-N 0 1 399.405 1.934 20 0 GDADMN Cc1cc(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000822200166 606697281 /nfs/dbraw/zinc/69/72/81/606697281.db2.gz WXHBDQGFGIBTRK-UHFFFAOYSA-N 0 1 382.428 1.041 20 0 GDADMN CC1(C2CCN([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC2)OCCO1 ZINC000820612857 606720262 /nfs/dbraw/zinc/72/02/62/606720262.db2.gz LQACWIFPRVVZDK-KRWDZBQOSA-N 0 1 398.467 1.447 20 0 GDADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1Cl)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000823290127 606737121 /nfs/dbraw/zinc/73/71/21/606737121.db2.gz TWQRGMKYUNOQJN-OCCSQVGLSA-N 0 1 389.847 1.202 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCCCn1cccn1 ZINC000820788566 606777843 /nfs/dbraw/zinc/77/78/43/606777843.db2.gz JQKZYBRXBTWTJK-OAHLLOKOSA-N 0 1 382.476 1.234 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCCCn1cccn1 ZINC000820788566 606777844 /nfs/dbraw/zinc/77/78/44/606777844.db2.gz JQKZYBRXBTWTJK-OAHLLOKOSA-N 0 1 382.476 1.234 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCCCCn1cccn1 ZINC000820788566 606777846 /nfs/dbraw/zinc/77/78/46/606777846.db2.gz JQKZYBRXBTWTJK-OAHLLOKOSA-N 0 1 382.476 1.234 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCCCCn1cccn1 ZINC000820788566 606777847 /nfs/dbraw/zinc/77/78/47/606777847.db2.gz JQKZYBRXBTWTJK-OAHLLOKOSA-N 0 1 382.476 1.234 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000820803457 606781932 /nfs/dbraw/zinc/78/19/32/606781932.db2.gz AHQDQZGJXLUCAT-AWEZNQCLSA-N 0 1 376.468 1.856 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000820803457 606781934 /nfs/dbraw/zinc/78/19/34/606781934.db2.gz AHQDQZGJXLUCAT-AWEZNQCLSA-N 0 1 376.468 1.856 20 0 GDADMN CCc1ccc(CC[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821482474 606785951 /nfs/dbraw/zinc/78/59/51/606785951.db2.gz RTLGTOMFLOUNJM-HNNXBMFYSA-N 0 1 378.484 1.972 20 0 GDADMN CCc1ccc(CC[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821482474 606785953 /nfs/dbraw/zinc/78/59/53/606785953.db2.gz RTLGTOMFLOUNJM-HNNXBMFYSA-N 0 1 378.484 1.972 20 0 GDADMN CCc1ccc(CC[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821482474 606785955 /nfs/dbraw/zinc/78/59/55/606785955.db2.gz RTLGTOMFLOUNJM-HNNXBMFYSA-N 0 1 378.484 1.972 20 0 GDADMN CCc1ccc(CC[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821482474 606785958 /nfs/dbraw/zinc/78/59/58/606785958.db2.gz RTLGTOMFLOUNJM-HNNXBMFYSA-N 0 1 378.484 1.972 20 0 GDADMN O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000823607221 606844636 /nfs/dbraw/zinc/84/46/36/606844636.db2.gz RQZICZQSGROYBN-CQSZACIVSA-N 0 1 394.476 1.645 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000819939690 606855269 /nfs/dbraw/zinc/85/52/69/606855269.db2.gz IFKDZYQHYGLOHF-HZPDHXFCSA-N 0 1 388.472 1.889 20 0 GDADMN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822431867 606872854 /nfs/dbraw/zinc/87/28/54/606872854.db2.gz MVLRRYNVKBRTQP-UHFFFAOYSA-N 0 1 396.436 1.865 20 0 GDADMN Cc1ccccc1CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822356198 606885697 /nfs/dbraw/zinc/88/56/97/606885697.db2.gz MZENZNVKFNSZHC-UHFFFAOYSA-N 0 1 379.392 1.974 20 0 GDADMN CC[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821254348 606888509 /nfs/dbraw/zinc/88/85/09/606888509.db2.gz LFYZWJPGSUESHI-SNVBAGLBSA-N 0 1 386.428 1.155 20 0 GDADMN C[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)Oc1ccccc1 ZINC000820274000 606891815 /nfs/dbraw/zinc/89/18/15/606891815.db2.gz BKBINACNTOEMLE-SNVBAGLBSA-N 0 1 395.391 1.891 20 0 GDADMN CC(C)(C)c1nc([C@@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000819966248 606904361 /nfs/dbraw/zinc/90/43/61/606904361.db2.gz ZHGNKZMBLMUKTG-CABCVRRESA-N 0 1 398.471 1.389 20 0 GDADMN CC(C)(C)c1nnc([C@@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000819966248 606904363 /nfs/dbraw/zinc/90/43/63/606904363.db2.gz ZHGNKZMBLMUKTG-CABCVRRESA-N 0 1 398.471 1.389 20 0 GDADMN N=C(NOCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COc2ccccc2O1 ZINC000822846288 606982860 /nfs/dbraw/zinc/98/28/60/606982860.db2.gz UNHDRSBXWICKMZ-HNNXBMFYSA-N 0 1 395.379 1.144 20 0 GDADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCN1CCOCC1 ZINC000819996932 606997522 /nfs/dbraw/zinc/99/75/22/606997522.db2.gz NYEDFGHWZRPFNV-UHFFFAOYSA-N 0 1 388.472 1.253 20 0 GDADMN CCc1nc([C@@H]2CN(c3c4ccccc4nnc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000821504999 607027805 /nfs/dbraw/zinc/02/78/05/607027805.db2.gz NXDQSQFTAYENRZ-LBPRGKRZSA-N 0 1 378.400 1.068 20 0 GDADMN O=c1[nH]nc(SCc2cc(F)ccc2-c2nn[nH]n2)n1C[C@@H]1CCCO1 ZINC000823657129 607038858 /nfs/dbraw/zinc/03/88/58/607038858.db2.gz ODIXKUFPHIBURY-NSHDSACASA-N 0 1 377.405 1.774 20 0 GDADMN CCc1nc([C@@H]2CN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3OC)CCO2)n[nH]1 ZINC000821505965 607066289 /nfs/dbraw/zinc/06/62/89/607066289.db2.gz VACRWPYXMCIGIK-ZDUSSCGKSA-N 0 1 399.415 1.161 20 0 GDADMN C[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1n1ccnc1 ZINC000820722120 607098035 /nfs/dbraw/zinc/09/80/35/607098035.db2.gz FXAZBDZBZNEFNC-JLSDUUJJSA-N 0 1 392.467 1.752 20 0 GDADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000820716589 607098067 /nfs/dbraw/zinc/09/80/67/607098067.db2.gz JVGHRPNBOKTWGY-CKEIUWERSA-N 0 1 380.456 1.973 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2nn[n-]n2)c1C ZINC000822540813 607105134 /nfs/dbraw/zinc/10/51/34/607105134.db2.gz HEHHBRYYWOEQFW-CFVMTHIKSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(-c2nn[n-]n2)c1C ZINC000822540813 607105135 /nfs/dbraw/zinc/10/51/35/607105135.db2.gz HEHHBRYYWOEQFW-CFVMTHIKSA-N 0 1 387.488 1.820 20 0 GDADMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820993912 607177389 /nfs/dbraw/zinc/17/73/89/607177389.db2.gz BZXDKABBQPEUOW-DAYGRLMNSA-N 0 1 399.499 1.236 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCCOc1ccc(Cl)cc1 ZINC000823131415 607206162 /nfs/dbraw/zinc/20/61/62/607206162.db2.gz GZZZDPMYRUMCID-UHFFFAOYSA-N 0 1 376.808 1.087 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000823122452 607208253 /nfs/dbraw/zinc/20/82/53/607208253.db2.gz BNIKLMKPOHVMPH-CYBMUJFWSA-N 0 1 377.412 1.346 20 0 GDADMN C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820287885 607209118 /nfs/dbraw/zinc/20/91/18/607209118.db2.gz RUSDFIIECMLPEU-GFCCVEGCSA-N 0 1 384.444 1.339 20 0 GDADMN CC(C)(CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000819981519 607211790 /nfs/dbraw/zinc/21/17/90/607211790.db2.gz XONXOEVFTFFRAI-UHFFFAOYSA-N 0 1 395.254 1.859 20 0 GDADMN COCCSc1ccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821694299 607214696 /nfs/dbraw/zinc/21/46/96/607214696.db2.gz HHONLZDKQUQLNG-LLVKDONJSA-N 0 1 388.457 1.074 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(OCCc2ccccc2)nc1 ZINC000823136292 607218601 /nfs/dbraw/zinc/21/86/01/607218601.db2.gz UDGABZHOCJTHQC-UHFFFAOYSA-N 0 1 391.395 1.113 20 0 GDADMN Cc1ccc(CCN(CC(F)(F)F)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822236222 607220239 /nfs/dbraw/zinc/22/02/39/607220239.db2.gz OYDQPMODBXKFHS-UHFFFAOYSA-N 0 1 394.361 1.400 20 0 GDADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(-c2cccnc2)cc1 ZINC000820333581 607221260 /nfs/dbraw/zinc/22/12/60/607221260.db2.gz DHLBTMQWUCKBLB-LBPRGKRZSA-N 0 1 375.396 1.398 20 0 GDADMN C[C@H](CNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CCN(C)CC1 ZINC000824422389 607833867 /nfs/dbraw/zinc/83/38/67/607833867.db2.gz ZDQYIALJOWMOMH-SNVBAGLBSA-N 0 1 398.298 1.539 20 0 GDADMN O[C@H](COc1ccccc1-c1nn[nH]n1)CN1CCN(c2ccccc2)CC1 ZINC000826505200 607870632 /nfs/dbraw/zinc/87/06/32/607870632.db2.gz PHXYQIHXNLLHPQ-KRWDZBQOSA-N 0 1 380.452 1.429 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1C(=O)Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000826252631 607876274 /nfs/dbraw/zinc/87/62/74/607876274.db2.gz LMOYUMPPMMNVOC-HNNXBMFYSA-N 0 1 392.375 1.145 20 0 GDADMN C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)CC1 ZINC000826022354 607907197 /nfs/dbraw/zinc/90/71/97/607907197.db2.gz KPPWHDSYWQMOOT-ZDUSSCGKSA-N 0 1 394.476 1.358 20 0 GDADMN CCOC(=O)N[C@H]1CCCN(Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825523221 607921341 /nfs/dbraw/zinc/92/13/41/607921341.db2.gz OPBSQBFEFXVAHK-ZDUSSCGKSA-N 0 1 388.428 1.364 20 0 GDADMN Cc1ccnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)n1 ZINC000826308695 607924219 /nfs/dbraw/zinc/92/42/19/607924219.db2.gz LEOHBQNXZMKRAJ-UHFFFAOYSA-N 0 1 393.411 1.535 20 0 GDADMN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c(F)c1 ZINC000530380902 649972135 /nfs/dbraw/zinc/97/21/35/649972135.db2.gz JDNUXLFXGUVUJX-QWHCGFSZSA-N 0 1 376.475 1.278 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccccc2)c1-c1nnn[n-]1 ZINC000826073252 608019438 /nfs/dbraw/zinc/01/94/38/608019438.db2.gz LNWYCJONMPQQKQ-UHFFFAOYSA-N 0 1 376.371 1.472 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccccc2)c1-c1nn[n-]n1 ZINC000826073252 608019439 /nfs/dbraw/zinc/01/94/39/608019439.db2.gz LNWYCJONMPQQKQ-UHFFFAOYSA-N 0 1 376.371 1.472 20 0 GDADMN CC[C@@H](Nc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825148692 608020323 /nfs/dbraw/zinc/02/03/23/608020323.db2.gz SAGCNEYUHZEZJB-CYBMUJFWSA-N 0 1 383.460 1.571 20 0 GDADMN CC[C@@H](Nc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825148692 608020324 /nfs/dbraw/zinc/02/03/24/608020324.db2.gz SAGCNEYUHZEZJB-CYBMUJFWSA-N 0 1 383.460 1.571 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CSc3ccccc32)c1-c1nnn[n-]1 ZINC000826077901 608020647 /nfs/dbraw/zinc/02/06/47/608020647.db2.gz ZLIFRORPCWMKFC-NSHDSACASA-N 0 1 384.469 1.570 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CSc3ccccc32)c1-c1nn[n-]n1 ZINC000826077901 608020648 /nfs/dbraw/zinc/02/06/48/608020648.db2.gz ZLIFRORPCWMKFC-NSHDSACASA-N 0 1 384.469 1.570 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000826077371 608021288 /nfs/dbraw/zinc/02/12/88/608021288.db2.gz GBENNKHCUQPSOF-UHFFFAOYSA-N 0 1 398.471 1.712 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000826077371 608021289 /nfs/dbraw/zinc/02/12/89/608021289.db2.gz GBENNKHCUQPSOF-UHFFFAOYSA-N 0 1 398.471 1.712 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3ccoc3)n2)c1-c1nnn[n-]1 ZINC000826082867 608021677 /nfs/dbraw/zinc/02/16/77/608021677.db2.gz CGBKVMAPLQAYCG-UHFFFAOYSA-N 0 1 399.440 1.711 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3ccoc3)n2)c1-c1nn[n-]n1 ZINC000826082867 608021678 /nfs/dbraw/zinc/02/16/78/608021678.db2.gz CGBKVMAPLQAYCG-UHFFFAOYSA-N 0 1 399.440 1.711 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1ccc2ccccc2c1 ZINC000825934672 608035745 /nfs/dbraw/zinc/03/57/45/608035745.db2.gz PQCDGQSYEBYDPT-QGZVFWFLSA-N 0 1 392.467 1.923 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1ccc2ccccc2c1 ZINC000825934672 608035746 /nfs/dbraw/zinc/03/57/46/608035746.db2.gz PQCDGQSYEBYDPT-QGZVFWFLSA-N 0 1 392.467 1.923 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1ccc2ccccc2c1 ZINC000825934672 608035747 /nfs/dbraw/zinc/03/57/47/608035747.db2.gz PQCDGQSYEBYDPT-QGZVFWFLSA-N 0 1 392.467 1.923 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1ccc2ccccc2c1 ZINC000825934672 608035748 /nfs/dbraw/zinc/03/57/48/608035748.db2.gz PQCDGQSYEBYDPT-QGZVFWFLSA-N 0 1 392.467 1.923 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1c(F)cccc1F ZINC000825933949 608036872 /nfs/dbraw/zinc/03/68/72/608036872.db2.gz JMTJVQLUKSGVCF-LBPRGKRZSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1c(F)cccc1F ZINC000825933949 608036873 /nfs/dbraw/zinc/03/68/73/608036873.db2.gz JMTJVQLUKSGVCF-LBPRGKRZSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1c(F)cccc1F ZINC000825933949 608036874 /nfs/dbraw/zinc/03/68/74/608036874.db2.gz JMTJVQLUKSGVCF-LBPRGKRZSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1c(F)cccc1F ZINC000825933949 608036875 /nfs/dbraw/zinc/03/68/75/608036875.db2.gz JMTJVQLUKSGVCF-LBPRGKRZSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1cccc(Cl)c1 ZINC000825935079 608036998 /nfs/dbraw/zinc/03/69/98/608036998.db2.gz UMNKLVIYHBJRCL-CYBMUJFWSA-N 0 1 376.852 1.423 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1cccc(Cl)c1 ZINC000825935079 608036999 /nfs/dbraw/zinc/03/69/99/608036999.db2.gz UMNKLVIYHBJRCL-CYBMUJFWSA-N 0 1 376.852 1.423 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1cccc(Cl)c1 ZINC000825935079 608037000 /nfs/dbraw/zinc/03/70/00/608037000.db2.gz UMNKLVIYHBJRCL-CYBMUJFWSA-N 0 1 376.852 1.423 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1cccc(Cl)c1 ZINC000825935079 608037001 /nfs/dbraw/zinc/03/70/01/608037001.db2.gz UMNKLVIYHBJRCL-CYBMUJFWSA-N 0 1 376.852 1.423 20 0 GDADMN CCOC(=O)CC[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825508291 608041320 /nfs/dbraw/zinc/04/13/20/608041320.db2.gz WHYLIRRLNIGRGI-MRVPVSSYSA-N 0 1 380.430 1.151 20 0 GDADMN C[C@H]1CN(CC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCCC3)CCN1C ZINC000824985006 608042167 /nfs/dbraw/zinc/04/21/67/608042167.db2.gz QDIFKSKAFMJUFN-LBPRGKRZSA-N 0 1 389.529 1.772 20 0 GDADMN Cc1nc([C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3Br)CCO2)n[nH]1 ZINC000826322241 608051108 /nfs/dbraw/zinc/05/11/08/608051108.db2.gz DNAMFTIKZGQUJB-LBPRGKRZSA-N 0 1 391.233 1.634 20 0 GDADMN CCCn1c(C)nnc1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825351189 608159743 /nfs/dbraw/zinc/15/97/43/608159743.db2.gz AATWENJHDMRTPA-UHFFFAOYSA-N 0 1 398.475 1.364 20 0 GDADMN CN1CCN(c2ccc(NC(=O)CNc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000826044353 608215967 /nfs/dbraw/zinc/21/59/67/608215967.db2.gz DYMVREBCJXWXSO-UHFFFAOYSA-N 0 1 393.455 1.064 20 0 GDADMN CCN(CC(=O)N1CCOC[C@@H]1C1CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395958 608253820 /nfs/dbraw/zinc/25/38/20/608253820.db2.gz YOBBPDCBLHRVQC-RDTXWAMCSA-N 0 1 384.484 1.887 20 0 GDADMN CCC[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CCN1CCOC ZINC000825255574 608313555 /nfs/dbraw/zinc/31/35/55/608313555.db2.gz XOQHZCSOHFLLNZ-IBSYWUHOSA-N 0 1 384.484 1.839 20 0 GDADMN COCCOC[C@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826160869 608314125 /nfs/dbraw/zinc/31/41/25/608314125.db2.gz KJKDIVZOUNNCOU-INIZCTEOSA-N 0 1 397.483 1.846 20 0 GDADMN COCCOC[C@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826160869 608314126 /nfs/dbraw/zinc/31/41/26/608314126.db2.gz KJKDIVZOUNNCOU-INIZCTEOSA-N 0 1 397.483 1.846 20 0 GDADMN COCCOC[C@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826160869 608314127 /nfs/dbraw/zinc/31/41/27/608314127.db2.gz KJKDIVZOUNNCOU-INIZCTEOSA-N 0 1 397.483 1.846 20 0 GDADMN COCCOC[C@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826160869 608314128 /nfs/dbraw/zinc/31/41/28/608314128.db2.gz KJKDIVZOUNNCOU-INIZCTEOSA-N 0 1 397.483 1.846 20 0 GDADMN CCC[C@@H]1CN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000825253100 608326784 /nfs/dbraw/zinc/32/67/84/608326784.db2.gz LPGSEZQYQZIIBR-QGZVFWFLSA-N 0 1 387.488 1.509 20 0 GDADMN CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CCN1C[C@H](C)O ZINC000825203698 608338367 /nfs/dbraw/zinc/33/83/67/608338367.db2.gz OJRFLMMWHIPCHZ-WCQYABFASA-N 0 1 393.879 1.829 20 0 GDADMN CCc1ncnc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1F ZINC000825755001 608396794 /nfs/dbraw/zinc/39/67/94/608396794.db2.gz MVOGXYJSHXJCRN-UHFFFAOYSA-N 0 1 385.407 1.550 20 0 GDADMN O[C@@H](C[NH+]1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC000826502366 608414530 /nfs/dbraw/zinc/41/45/30/608414530.db2.gz BQZQCYIFGWSFAD-KRWDZBQOSA-N 0 1 380.456 1.514 20 0 GDADMN O[C@@H](C[NH+]1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC000826502366 608414532 /nfs/dbraw/zinc/41/45/32/608414532.db2.gz BQZQCYIFGWSFAD-KRWDZBQOSA-N 0 1 380.456 1.514 20 0 GDADMN Fc1ccc(OCC[NH+]2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826375837 608430978 /nfs/dbraw/zinc/43/09/78/608430978.db2.gz DMIQRDXXBZWCFG-UHFFFAOYSA-N 0 1 384.419 1.751 20 0 GDADMN C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824617869 608487448 /nfs/dbraw/zinc/48/74/48/608487448.db2.gz KKFPFCNHMCWGNH-ZDUSSCGKSA-N 0 1 386.481 1.968 20 0 GDADMN O=S1(=O)NC(CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)=Nc2ccccc21 ZINC000826497195 608531579 /nfs/dbraw/zinc/53/15/79/608531579.db2.gz YECXKLJZPBKYRJ-UHFFFAOYSA-N 0 1 395.448 1.468 20 0 GDADMN CCCCNC(=O)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825284979 608533537 /nfs/dbraw/zinc/53/35/37/608533537.db2.gz FUGJHJZPNIYYKN-UHFFFAOYSA-N 0 1 382.472 1.643 20 0 GDADMN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826452273 608551556 /nfs/dbraw/zinc/55/15/56/608551556.db2.gz NJZOXNLLFXBHLE-UHFFFAOYSA-N 0 1 375.352 1.025 20 0 GDADMN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000825564900 608617472 /nfs/dbraw/zinc/61/74/72/608617472.db2.gz IEJZQATVOTXQSW-UHFFFAOYSA-N 0 1 388.409 1.548 20 0 GDADMN CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824064445 608689320 /nfs/dbraw/zinc/68/93/20/608689320.db2.gz IJAPSXKOMDPFAI-CQSZACIVSA-N 0 1 396.499 1.889 20 0 GDADMN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NC1CC(N2CCCCC2)C1 ZINC000530536638 649978233 /nfs/dbraw/zinc/97/82/33/649978233.db2.gz GCBFXDANJOJLKU-UHFFFAOYSA-N 0 1 387.527 1.166 20 0 GDADMN CC1(C)Cc2cccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)c2O1 ZINC000530540589 649978937 /nfs/dbraw/zinc/97/89/37/649978937.db2.gz YGGPAMQEMHTJGN-UHFFFAOYSA-N 0 1 382.463 1.848 20 0 GDADMN CCC[C@H]1C[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)CCO1 ZINC000825255708 609142050 /nfs/dbraw/zinc/14/20/50/609142050.db2.gz YNZLLTZSZIXGCS-NEPJUHHUSA-N 0 1 376.465 1.276 20 0 GDADMN CCC[C@H]1C[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)CCO1 ZINC000825255708 609142051 /nfs/dbraw/zinc/14/20/51/609142051.db2.gz YNZLLTZSZIXGCS-NEPJUHHUSA-N 0 1 376.465 1.276 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Cc1cc(C)cc([C@@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])c1 ZINC000908822863 939330264 /nfs/dbraw/zinc/33/02/64/939330264.db2.gz HVCCRPFGBMNVHC-GOSISDBHSA-N 0 1 376.501 1.756 20 0 GDADMN C[C@@H](CNC(=O)N[C@@]1(C(=O)[O-])CCSC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000908831596 939332534 /nfs/dbraw/zinc/33/25/34/939332534.db2.gz MTQLDOJWMJIOKG-KXBFYZLASA-N 0 1 392.525 1.457 20 0 GDADMN CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC000908859692 939338390 /nfs/dbraw/zinc/33/83/90/939338390.db2.gz VFYPVMYCMBLUFB-FUHWJXTLSA-N 0 1 382.549 1.983 20 0 GDADMN C[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C[NH+]1CCOCC1 ZINC000908913391 939350409 /nfs/dbraw/zinc/35/04/09/939350409.db2.gz KKZLRNOKTYBISP-XHDPSFHLSA-N 0 1 387.839 1.872 20 0 GDADMN O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000738152162 945251926 /nfs/dbraw/zinc/25/19/26/945251926.db2.gz PQTBPNIOSQJXPH-LSDHHAIUSA-N 0 1 391.863 1.583 20 0 GDADMN COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000630487062 939821999 /nfs/dbraw/zinc/82/19/99/939821999.db2.gz QEWREYSJOWINEP-KSSFIOAISA-N 0 1 379.482 1.529 20 0 GDADMN COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000630487062 939822003 /nfs/dbraw/zinc/82/20/03/939822003.db2.gz QEWREYSJOWINEP-KSSFIOAISA-N 0 1 379.482 1.529 20 0 GDADMN COc1ccc([C@@H](NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])cc1 ZINC000653530666 939836803 /nfs/dbraw/zinc/83/68/03/939836803.db2.gz JJQMPXUYCDUSSU-SZOQZIPDSA-N 0 1 379.457 1.618 20 0 GDADMN COc1ccc([C@@H](NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])cc1 ZINC000653530666 939836804 /nfs/dbraw/zinc/83/68/04/939836804.db2.gz JJQMPXUYCDUSSU-SZOQZIPDSA-N 0 1 379.457 1.618 20 0 GDADMN COc1ccc([C@H](NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])cc1 ZINC000653530668 939836863 /nfs/dbraw/zinc/83/68/63/939836863.db2.gz JJQMPXUYCDUSSU-WVZRYYJFSA-N 0 1 379.457 1.618 20 0 GDADMN COc1ccc([C@H](NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])cc1 ZINC000653530668 939836867 /nfs/dbraw/zinc/83/68/67/939836867.db2.gz JJQMPXUYCDUSSU-WVZRYYJFSA-N 0 1 379.457 1.618 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571264279 945480404 /nfs/dbraw/zinc/48/04/04/945480404.db2.gz KFRTWTGAWWQSRW-LPMFXHHGSA-N 0 1 385.472 1.007 20 0 GDADMN CC[C@H]1CC[C@H](C(=O)NCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)O1 ZINC001571264662 945489818 /nfs/dbraw/zinc/48/98/18/945489818.db2.gz TUPBSFRJOVUCQN-WMLDXEAASA-N 0 1 385.472 1.552 20 0 GDADMN CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571264840 945492910 /nfs/dbraw/zinc/49/29/10/945492910.db2.gz YKBSHROOYXQTPW-CPUCHLNUSA-N 0 1 385.472 1.422 20 0 GDADMN O=C(c1ccc(-c2nn[nH]n2)c(O)c1)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001571265026 945498047 /nfs/dbraw/zinc/49/80/47/945498047.db2.gz CMFKGCBKRQFWIH-UHFFFAOYSA-N 0 1 385.815 1.583 20 0 GDADMN CO[C@H](C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1)C(C)C ZINC001571265369 945509323 /nfs/dbraw/zinc/50/93/23/945509323.db2.gz IMGHCCBTGZKMHD-JTQLQIEISA-N 0 1 385.881 1.296 20 0 GDADMN Cc1cc(NCC2CC(NC(=O)[C@@H]3CCCOCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266594 945546552 /nfs/dbraw/zinc/54/65/52/945546552.db2.gz UZAHDPLJMOWNIH-SHARSMKWSA-N 0 1 385.472 1.115 20 0 GDADMN O=C(c1c(F)cncc1F)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571267300 945567081 /nfs/dbraw/zinc/56/70/81/945567081.db2.gz PVBLOEMAYGYETF-SNVBAGLBSA-N 0 1 386.366 1.074 20 0 GDADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000820993908 945605849 /nfs/dbraw/zinc/60/58/49/945605849.db2.gz BZKVDZCUMDNVGB-CABCVRRESA-N 0 1 399.499 1.602 20 0 GDADMN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820993908 945605858 /nfs/dbraw/zinc/60/58/58/945605858.db2.gz BZKVDZCUMDNVGB-CABCVRRESA-N 0 1 399.499 1.602 20 0 GDADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820993908 945605865 /nfs/dbraw/zinc/60/58/65/945605865.db2.gz BZKVDZCUMDNVGB-CABCVRRESA-N 0 1 399.499 1.602 20 0 GDADMN CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1)[NH+](C)C ZINC001571272277 945657886 /nfs/dbraw/zinc/65/78/86/945657886.db2.gz QPWPDPRPOKHLJJ-KMFMINBZSA-N 0 1 386.504 1.641 20 0 GDADMN CCn1cnc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571272514 945664209 /nfs/dbraw/zinc/66/42/09/945664209.db2.gz VGENUPPMWYLNPM-UHFFFAOYSA-N 0 1 386.485 1.537 20 0 GDADMN CCn1cnc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571272514 945664213 /nfs/dbraw/zinc/66/42/13/945664213.db2.gz VGENUPPMWYLNPM-UHFFFAOYSA-N 0 1 386.485 1.537 20 0 GDADMN Cc1ncc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1C ZINC001571272522 945665558 /nfs/dbraw/zinc/66/55/58/945665558.db2.gz VMDRKXGVTVEVKK-GFCCVEGCSA-N 0 1 386.485 1.365 20 0 GDADMN Cc1ncc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1C ZINC001571272522 945665560 /nfs/dbraw/zinc/66/55/60/945665560.db2.gz VMDRKXGVTVEVKK-GFCCVEGCSA-N 0 1 386.485 1.365 20 0 GDADMN CCn1cc(C(=O)N(C)[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)cn1 ZINC001571272660 945667732 /nfs/dbraw/zinc/66/77/32/945667732.db2.gz YDULIKDCPDOWRT-ZDUSSCGKSA-N 0 1 386.485 1.491 20 0 GDADMN O=C(Cn1cc(Cl)cn1)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571275617 945710785 /nfs/dbraw/zinc/71/07/85/945710785.db2.gz YVUDZUYZRGCNPI-OAHLLOKOSA-N 0 1 386.847 1.107 20 0 GDADMN CNC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821630036 945757723 /nfs/dbraw/zinc/75/77/23/945757723.db2.gz JVXTYAVQBUAERP-VHSXEESVSA-N 0 1 391.501 1.058 20 0 GDADMN Cc1nc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)o1 ZINC001571281146 945798417 /nfs/dbraw/zinc/79/84/17/945798417.db2.gz DBEQXJRVVWMXKT-GFCCVEGCSA-N 0 1 387.469 1.927 20 0 GDADMN Cc1nc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)o1 ZINC001571281146 945798427 /nfs/dbraw/zinc/79/84/27/945798427.db2.gz DBEQXJRVVWMXKT-GFCCVEGCSA-N 0 1 387.469 1.927 20 0 GDADMN CCc1nc(C(=O)N[C@]2(C)CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571281979 945821834 /nfs/dbraw/zinc/82/18/34/945821834.db2.gz QMEIDROCGUIYSL-QGZVFWFLSA-N 0 1 387.469 1.873 20 0 GDADMN Cc1ncc(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)o1 ZINC001571282199 945833515 /nfs/dbraw/zinc/83/35/15/945833515.db2.gz UFGGIGHMPHIHNI-YGRLFVJLSA-N 0 1 387.469 1.404 20 0 GDADMN Cc1ncc(CC(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)o1 ZINC001571282199 945833531 /nfs/dbraw/zinc/83/35/31/945833531.db2.gz UFGGIGHMPHIHNI-YGRLFVJLSA-N 0 1 387.469 1.404 20 0 GDADMN O=C(Cc1ccc(F)cn1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282905 945866612 /nfs/dbraw/zinc/86/66/12/945866612.db2.gz VHZTZGDAUYVWDT-BETUJISGSA-N 0 1 387.444 1.442 20 0 GDADMN O=C(Cc1ccc(F)cn1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282905 945866629 /nfs/dbraw/zinc/86/66/29/945866629.db2.gz VHZTZGDAUYVWDT-BETUJISGSA-N 0 1 387.444 1.442 20 0 GDADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571283134 945878024 /nfs/dbraw/zinc/87/80/24/945878024.db2.gz ZXKMQWOBJFLLPC-CZUORRHYSA-N 0 1 387.463 1.575 20 0 GDADMN Cn1cc(Cl)cc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571285562 945920343 /nfs/dbraw/zinc/92/03/43/945920343.db2.gz IEGSQPQPMJXHGQ-LLVKDONJSA-N 0 1 387.835 1.047 20 0 GDADMN CN(C(=O)C[C@@H]1CCOC1)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571288922 945995944 /nfs/dbraw/zinc/99/59/44/945995944.db2.gz UNCNMCCMQRYSMD-GJZGRUSLSA-N 0 1 388.447 1.465 20 0 GDADMN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571290002 946026031 /nfs/dbraw/zinc/02/60/31/946026031.db2.gz SAVYTSISQPKGOM-FIRUKDTASA-N 0 1 388.497 1.480 20 0 GDADMN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571290002 946026046 /nfs/dbraw/zinc/02/60/46/946026046.db2.gz SAVYTSISQPKGOM-FIRUKDTASA-N 0 1 388.497 1.480 20 0 GDADMN O=C([C@H]1CCCO1)N1CCC2(CN(Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001571290079 946028196 /nfs/dbraw/zinc/02/81/96/946028196.db2.gz USGFRVZYMWMWMC-CQSZACIVSA-N 0 1 388.497 1.532 20 0 GDADMN Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)[nH]c2c1 ZINC000822271261 946040267 /nfs/dbraw/zinc/04/02/67/946040267.db2.gz TZQZDCHXMWKRDG-UHFFFAOYSA-N 0 1 394.370 1.445 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cc(Cl)ccc1F ZINC001571290494 946045295 /nfs/dbraw/zinc/04/52/95/946045295.db2.gz GTSNFDWIPBHFAP-MGCOHNPYSA-N 0 1 388.794 1.244 20 0 GDADMN Cc1cc(N2CCN(C(=O)c3cnn(C(F)F)c3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571291085 946065954 /nfs/dbraw/zinc/06/59/54/946065954.db2.gz ARTOIQQZUAGLJW-UHFFFAOYSA-N 0 1 389.370 1.124 20 0 GDADMN Cc1ccccc1NC(=O)CCN1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000822362405 946072134 /nfs/dbraw/zinc/07/21/34/946072134.db2.gz RQGAKUDOBJIOIL-UHFFFAOYSA-N 0 1 392.467 1.721 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000822535343 946118404 /nfs/dbraw/zinc/11/84/04/946118404.db2.gz NXTYPHRWIAFGLF-AAEUAGOBSA-N 0 1 381.440 1.914 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000822535343 946118410 /nfs/dbraw/zinc/11/84/10/946118410.db2.gz NXTYPHRWIAFGLF-AAEUAGOBSA-N 0 1 381.440 1.914 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)C3(F)CCOCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571293915 946121414 /nfs/dbraw/zinc/12/14/14/946121414.db2.gz VUKASKFAWHJUDK-CYBMUJFWSA-N 0 1 389.435 1.174 20 0 GDADMN O=C(NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCc2cccnc21 ZINC001571294548 946138038 /nfs/dbraw/zinc/13/80/38/946138038.db2.gz IRQXRCQIXSRAKW-SFHVURJKSA-N 0 1 389.463 1.540 20 0 GDADMN O=C(N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1(c2ccccc2)CC1 ZINC001571298429 946215755 /nfs/dbraw/zinc/21/57/55/946215755.db2.gz NSWIOBGKCZKTTF-OAHLLOKOSA-N 0 1 390.451 1.213 20 0 GDADMN C[C@@H]1C[C@@H]1C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571298823 946229258 /nfs/dbraw/zinc/22/92/58/946229258.db2.gz KWQQVLDSPJANHD-WBMJQRKESA-N 0 1 390.451 1.492 20 0 GDADMN O=C(Cc1ccccc1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571298807 946229785 /nfs/dbraw/zinc/22/97/85/946229785.db2.gz RDZZPIAHNMJDNX-GJZGRUSLSA-N 0 1 390.451 1.161 20 0 GDADMN O=C(NC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)c1csnn1 ZINC001571299013 946235842 /nfs/dbraw/zinc/23/58/42/946235842.db2.gz GUDLSJNYYRUQLY-UHFFFAOYSA-N 0 1 390.498 1.611 20 0 GDADMN O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)c1csnn1 ZINC001571299013 946235851 /nfs/dbraw/zinc/23/58/51/946235851.db2.gz GUDLSJNYYRUQLY-UHFFFAOYSA-N 0 1 390.498 1.611 20 0 GDADMN O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)c1csnn1 ZINC001571299012 946236318 /nfs/dbraw/zinc/23/63/18/946236318.db2.gz GUDLSJNYYRUQLY-MGCOHNPYSA-N 0 1 390.498 1.611 20 0 GDADMN O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)c1csnn1 ZINC001571299012 946236329 /nfs/dbraw/zinc/23/63/29/946236329.db2.gz GUDLSJNYYRUQLY-MGCOHNPYSA-N 0 1 390.498 1.611 20 0 GDADMN Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571299278 946245591 /nfs/dbraw/zinc/24/55/91/946245591.db2.gz KDXQVCSMTIROHM-STQMWFEESA-N 0 1 390.517 1.376 20 0 GDADMN Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571299278 946245596 /nfs/dbraw/zinc/24/55/96/946245596.db2.gz KDXQVCSMTIROHM-STQMWFEESA-N 0 1 390.517 1.376 20 0 GDADMN O=C(C[C@@H]1CCCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299745 946261127 /nfs/dbraw/zinc/26/11/27/946261127.db2.gz PDTJBOZFRCYEML-KGLIPLIRSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@@H]1CCCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299745 946261137 /nfs/dbraw/zinc/26/11/37/946261137.db2.gz PDTJBOZFRCYEML-KGLIPLIRSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(Cc1cccnc1)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571299922 946266948 /nfs/dbraw/zinc/26/69/48/946266948.db2.gz RDWTXJJATMVCOO-SNVBAGLBSA-N 0 1 390.860 1.309 20 0 GDADMN O=C(NC[C@H]1CCCN1c1nc(-c2nn[nH]n2)c(Cl)s1)c1ccncc1 ZINC001571300305 946279925 /nfs/dbraw/zinc/27/99/25/946279925.db2.gz ZGEZHRUUBAPDNU-SNVBAGLBSA-N 0 1 390.860 1.770 20 0 GDADMN C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571301989 946289116 /nfs/dbraw/zinc/28/91/16/946289116.db2.gz KPSDBQQOVVAVKI-DGCLKSJQSA-N 0 1 391.426 1.625 20 0 GDADMN Cc1cncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)c1 ZINC001571302680 946310110 /nfs/dbraw/zinc/31/01/10/946310110.db2.gz FQKRCBLIPNXCPU-QEJZJMRPSA-N 0 1 391.439 1.147 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571302823 946314429 /nfs/dbraw/zinc/31/44/29/946314429.db2.gz GPPMCKFXPOFJLQ-UKRRQHHQSA-N 0 1 391.439 1.101 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cccc4c3OCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303183 946328541 /nfs/dbraw/zinc/32/85/41/946328541.db2.gz JGXPZVBBATYRMW-CQSZACIVSA-N 0 1 391.435 1.254 20 0 GDADMN O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571303756 946346955 /nfs/dbraw/zinc/34/69/55/946346955.db2.gz XFVOOJDEJHAATE-IBGZPJMESA-N 0 1 391.439 1.184 20 0 GDADMN O=C(NC[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cccnn1 ZINC001571305645 946368679 /nfs/dbraw/zinc/36/86/79/946368679.db2.gz IHOSIJMKTIGLFE-QMMMGPOBSA-N 0 1 391.848 1.023 20 0 GDADMN Cc1ccncc1CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571306011 946384470 /nfs/dbraw/zinc/38/44/70/946384470.db2.gz GMPLRAYZFCBDDH-LJQANCHMSA-N 0 1 391.479 1.893 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC001571307919 946428777 /nfs/dbraw/zinc/42/87/77/946428777.db2.gz JYKYODUNGDENGT-RDTXWAMCSA-N 0 1 392.410 1.754 20 0 GDADMN O=C([C@@H]1CCCCC1(F)F)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571308070 946429158 /nfs/dbraw/zinc/42/91/58/946429158.db2.gz LCXKIRZTNIDHLA-LBPRGKRZSA-N 0 1 392.414 1.521 20 0 GDADMN O=C([C@@H]1CCCCC1(F)F)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571308070 946429165 /nfs/dbraw/zinc/42/91/65/946429165.db2.gz LCXKIRZTNIDHLA-LBPRGKRZSA-N 0 1 392.414 1.521 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3ccncc3-c3nn[nH]n3)C2)nc1C ZINC001571315585 946556285 /nfs/dbraw/zinc/55/62/85/946556285.db2.gz LXBBENBOCXUKRS-GJZGRUSLSA-N 0 1 392.467 1.658 20 0 GDADMN Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C1 ZINC001571315838 946560996 /nfs/dbraw/zinc/56/09/96/946560996.db2.gz PDSQMKCWBCAXOA-RRQGHBQHSA-N 0 1 392.467 1.673 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)Cc3ccncc3C)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316273 946571036 /nfs/dbraw/zinc/57/10/36/946571036.db2.gz YEQBGFBTZPNLIC-PBHICJAKSA-N 0 1 392.467 1.339 20 0 GDADMN Cc1ncccc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571316914 946591988 /nfs/dbraw/zinc/59/19/88/946591988.db2.gz PYVFCQCSIAXUDG-CVEARBPZSA-N 0 1 392.467 1.777 20 0 GDADMN O=C(NC[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCn2ccnc2C1 ZINC001571317152 946602329 /nfs/dbraw/zinc/60/23/29/946602329.db2.gz WREMTJZSCFGCLI-HOCLYGCPSA-N 0 1 392.467 1.016 20 0 GDADMN Cn1ncc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)c1C1CC1 ZINC001571317124 946602463 /nfs/dbraw/zinc/60/24/63/946602463.db2.gz VVDVXRQWDHILMS-HNNXBMFYSA-N 0 1 392.467 1.482 20 0 GDADMN CC[C@@H](C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317823 946621678 /nfs/dbraw/zinc/62/16/78/946621678.db2.gz WIPVNKMLCJTVED-YVEFUNNKSA-N 0 1 392.533 1.622 20 0 GDADMN Cc1[nH]ccc1C(=O)N(C)[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571317938 946624513 /nfs/dbraw/zinc/62/45/13/946624513.db2.gz ZIFTUDHXPMYDNB-SECBINFHSA-N 0 1 392.876 1.964 20 0 GDADMN CC(C)COC(=O)CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000824266433 946638817 /nfs/dbraw/zinc/63/88/17/946638817.db2.gz LMPZFIZHGDAQIV-UHFFFAOYSA-N 0 1 375.433 1.053 20 0 GDADMN C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000824414327 946699824 /nfs/dbraw/zinc/69/98/24/946699824.db2.gz ZJTQJSXSLVSTPD-AWEZNQCLSA-N 0 1 386.481 1.666 20 0 GDADMN CCCN(CC(=O)N(C)C)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825308007 947148795 /nfs/dbraw/zinc/14/87/95/947148795.db2.gz SVBZNBRQMFTQLV-UHFFFAOYSA-N 0 1 382.472 1.567 20 0 GDADMN CC[NH+](CC)[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825406108 947176621 /nfs/dbraw/zinc/17/66/21/947176621.db2.gz JUTJNQKLQSQUAC-INIZCTEOSA-N 0 1 383.456 1.905 20 0 GDADMN CC[NH+](CC)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825406108 947176626 /nfs/dbraw/zinc/17/66/26/947176626.db2.gz JUTJNQKLQSQUAC-INIZCTEOSA-N 0 1 383.456 1.905 20 0 GDADMN CCc1cnccc1[C@@H](C)NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825740354 947310337 /nfs/dbraw/zinc/31/03/37/947310337.db2.gz STKDNHYAHHNRME-CYBMUJFWSA-N 0 1 386.481 1.949 20 0 GDADMN CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000825879122 947355676 /nfs/dbraw/zinc/35/56/76/947355676.db2.gz HMHOWFMZYHUINP-UHFFFAOYSA-N 0 1 392.427 1.086 20 0 GDADMN CN(C)c1nccc(CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000825888843 947358044 /nfs/dbraw/zinc/35/80/44/947358044.db2.gz WLRZJPMJPKSJBN-UHFFFAOYSA-N 0 1 379.472 1.435 20 0 GDADMN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573593637 947373535 /nfs/dbraw/zinc/37/35/35/947373535.db2.gz LDXJWNJRHQKCJF-PNESKVBLSA-N 0 1 386.485 1.465 20 0 GDADMN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573593637 947373548 /nfs/dbraw/zinc/37/35/48/947373548.db2.gz LDXJWNJRHQKCJF-PNESKVBLSA-N 0 1 386.485 1.465 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCCO1 ZINC001573603011 947477405 /nfs/dbraw/zinc/47/74/05/947477405.db2.gz IUYWXTHTCRVXSV-DYVFJYSZSA-N 0 1 390.463 1.711 20 0 GDADMN CC(C)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H](C)c1ccco1 ZINC001573603913 947499070 /nfs/dbraw/zinc/49/90/70/947499070.db2.gz LNWDWEBMBHSKOY-ZDUSSCGKSA-N 0 1 384.444 1.727 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573614151 947578290 /nfs/dbraw/zinc/57/82/90/947578290.db2.gz CJDTUUSVVSLDKR-YJYMSZOUSA-N 0 1 381.440 1.731 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573615285 947604190 /nfs/dbraw/zinc/60/41/90/947604190.db2.gz DAMWKASDQYUUEI-RYUDHWBXSA-N 0 1 384.469 1.559 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573351809 947618427 /nfs/dbraw/zinc/61/84/27/947618427.db2.gz RQKXDUDQOOKIPF-HNNXBMFYSA-N 0 1 376.424 1.651 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573354690 947637105 /nfs/dbraw/zinc/63/71/05/947637105.db2.gz HAOCEMLUKQEZRC-CQSZACIVSA-N 0 1 384.465 1.452 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573354690 947637113 /nfs/dbraw/zinc/63/71/13/947637113.db2.gz HAOCEMLUKQEZRC-CQSZACIVSA-N 0 1 384.465 1.452 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618415 947650071 /nfs/dbraw/zinc/65/00/71/947650071.db2.gz SAABLXFCQHBJIF-KBPBESRZSA-N 0 1 381.444 1.004 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC2([C@@H](O)C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826229596 947671411 /nfs/dbraw/zinc/67/14/11/947671411.db2.gz KHQRGAZDHCIBNN-NSHDSACASA-N 0 1 378.458 1.216 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2O)cc1 ZINC001573359718 947689127 /nfs/dbraw/zinc/68/91/27/947689127.db2.gz ZGTZMKJARNJMJD-AEFFLSMTSA-N 0 1 391.435 1.193 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573624839 947697218 /nfs/dbraw/zinc/69/72/18/947697218.db2.gz MSKPAGZLJQAAMI-SWLSCSKDSA-N 0 1 381.415 1.639 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573367948 947765169 /nfs/dbraw/zinc/76/51/69/947765169.db2.gz JPDRNNNUZRFVKD-GJZGRUSLSA-N 0 1 385.472 1.400 20 0 GDADMN C[C@@H](C(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573637420 947812810 /nfs/dbraw/zinc/81/28/10/947812810.db2.gz CGLPXXNJVQNCMZ-KBPBESRZSA-N 0 1 387.488 1.395 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573375160 947816682 /nfs/dbraw/zinc/81/66/82/947816682.db2.gz RJRSKDVXJNKZJA-SECBINFHSA-N 0 1 383.865 1.749 20 0 GDADMN C[C@@H](C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccs1 ZINC001573637589 947817307 /nfs/dbraw/zinc/81/73/07/947817307.db2.gz JSXPYRXCTGEEQS-GFCCVEGCSA-N 0 1 384.469 1.561 20 0 GDADMN CC(=O)CCCC(=O)N[C@](C)(CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573377371 947848136 /nfs/dbraw/zinc/84/81/36/947848136.db2.gz LGCZOUZCTOSDFI-LJQANCHMSA-N 0 1 385.472 1.448 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1)n1cccc1 ZINC001573650659 947910915 /nfs/dbraw/zinc/91/09/15/947910915.db2.gz CQKANEMGBQCVBZ-SXGZJXTBSA-N 0 1 392.467 1.609 20 0 GDADMN Cc1nc(CN2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)n[nH]1 ZINC000826325676 947950015 /nfs/dbraw/zinc/95/00/15/947950015.db2.gz HPUVCTGTDHBKCC-UHFFFAOYSA-N 0 1 376.428 1.164 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573656353 947988103 /nfs/dbraw/zinc/98/81/03/947988103.db2.gz DYZDPFAOGJYDEF-CZUORRHYSA-N 0 1 385.472 1.552 20 0 GDADMN C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CCC1 ZINC001573661759 948021250 /nfs/dbraw/zinc/02/12/50/948021250.db2.gz AFZLZFTXLSYKHR-CFZJUORYSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573665758 948077394 /nfs/dbraw/zinc/07/73/94/948077394.db2.gz MUYIJLIPBGYUNR-YEJSDXFRSA-N 0 1 392.414 1.564 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573666005 948079557 /nfs/dbraw/zinc/07/95/57/948079557.db2.gz OMMJBVUHXLUOEO-ZBFHGGJFSA-N 0 1 380.456 1.405 20 0 GDADMN Cn1cc([C@H]2CCN([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000826360026 948118580 /nfs/dbraw/zinc/11/85/80/948118580.db2.gz VRXGMVNMZFTWEY-MAUKXSAKSA-N 0 1 392.467 1.585 20 0 GDADMN C[C@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCCO1 ZINC001573676190 948124539 /nfs/dbraw/zinc/12/45/39/948124539.db2.gz SJUKYBUKTHSUAE-WFASDCNBSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573680375 948178189 /nfs/dbraw/zinc/17/81/89/948178189.db2.gz NMCUTSAQFQSTPA-SMDDNHRTSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573691074 948234114 /nfs/dbraw/zinc/23/41/14/948234114.db2.gz HIIOCDBLDLBGOH-WCQYABFASA-N 0 1 378.502 1.321 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573691074 948234121 /nfs/dbraw/zinc/23/41/21/948234121.db2.gz HIIOCDBLDLBGOH-WCQYABFASA-N 0 1 378.502 1.321 20 0 GDADMN O=C(CCc1nc[nH]n1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1 ZINC000826409732 948245497 /nfs/dbraw/zinc/24/54/97/948245497.db2.gz MZFQVZYXYAORSJ-UHFFFAOYSA-N 0 1 384.791 1.395 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573703194 948353939 /nfs/dbraw/zinc/35/39/39/948353939.db2.gz IVJLJXCAPPIOMP-UONOGXRCSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573704792 948382995 /nfs/dbraw/zinc/38/29/95/948382995.db2.gz AOCWPVAZWHMXDI-LLVKDONJSA-N 0 1 379.415 1.673 20 0 GDADMN O=C1[C@@H](N2CCC[C@H](c3cc[nH]n3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476730 948383925 /nfs/dbraw/zinc/38/39/25/948383925.db2.gz NKQMHIFIUQJRIE-YJBOKZPZSA-N 0 1 392.467 1.965 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573714110 948469401 /nfs/dbraw/zinc/46/94/01/948469401.db2.gz DRSGQILCQKVZET-HUUCEWRRSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573714982 948479683 /nfs/dbraw/zinc/47/96/83/948479683.db2.gz MLDXWGZBXSRVQZ-KGLIPLIRSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001573717449 948508184 /nfs/dbraw/zinc/50/81/84/948508184.db2.gz MTXZQDGBVCXPEQ-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001573717449 948508191 /nfs/dbraw/zinc/50/81/91/948508191.db2.gz MTXZQDGBVCXPEQ-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573725536 948544179 /nfs/dbraw/zinc/54/41/79/948544179.db2.gz AKJDWPJJPHPBPQ-OUAUKWLOSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573727544 948555651 /nfs/dbraw/zinc/55/56/51/948555651.db2.gz ADHROTUDKBCXLT-XJFOESAGSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1)c1ccc(F)cc1F ZINC001573731572 948593167 /nfs/dbraw/zinc/59/31/67/948593167.db2.gz GYKXGOSAAJUXDO-WDEREUQCSA-N 0 1 387.394 1.682 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)c(F)c1 ZINC001573732638 948605614 /nfs/dbraw/zinc/60/56/14/948605614.db2.gz TXUFEFHZYHOORC-VHSXEESVSA-N 0 1 388.382 1.077 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573736090 948612124 /nfs/dbraw/zinc/61/21/24/948612124.db2.gz HRYJZKNOGKPHPQ-OASPWFOLSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@@H](NC(=O)[C@H](C)C1CCC1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573739565 948621083 /nfs/dbraw/zinc/62/10/83/948621083.db2.gz FRAUHLGUCMMLSI-CHWSQXEVSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CCCC1 ZINC001573740662 948639182 /nfs/dbraw/zinc/63/91/82/948639182.db2.gz MGNPNQNCZRJIRX-XWIAVFTESA-N 0 1 384.484 1.354 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573745139 948668807 /nfs/dbraw/zinc/66/88/07/948668807.db2.gz AYUMAMRVLYQREV-DFBGVHRSSA-N 0 1 381.415 1.686 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573753659 948721306 /nfs/dbraw/zinc/72/13/06/948721306.db2.gz WRLXFRDDQMKTOH-NDBYEHHHSA-N 0 1 380.412 1.279 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(C)(F)F ZINC001573754006 948725755 /nfs/dbraw/zinc/72/57/55/948725755.db2.gz ZKFJZECXEQSFPG-GOONRYMUSA-N 0 1 382.440 1.766 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(C)(F)F ZINC001573754006 948725764 /nfs/dbraw/zinc/72/57/64/948725764.db2.gz ZKFJZECXEQSFPG-GOONRYMUSA-N 0 1 382.440 1.766 20 0 GDADMN CC(F)(F)CC(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001575223501 948767247 /nfs/dbraw/zinc/76/72/47/948767247.db2.gz CAPAJBRXGMMAHB-UHFFFAOYSA-N 0 1 377.808 1.671 20 0 GDADMN CC(C)c1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574419870 948790130 /nfs/dbraw/zinc/79/01/30/948790130.db2.gz KVSIFHZZZNIEKN-UOIKSKOESA-N 0 1 392.467 1.573 20 0 GDADMN CC(C)c1cccc(CN(C)[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574419987 948793018 /nfs/dbraw/zinc/79/30/18/948793018.db2.gz NJTSKVMBVXGVTL-ZDUSSCGKSA-N 0 1 382.472 1.964 20 0 GDADMN C[C@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756927 948825325 /nfs/dbraw/zinc/82/53/25/948825325.db2.gz VUSIQTSDRQAJGS-SECBINFHSA-N 0 1 385.388 1.008 20 0 GDADMN C[C@H](C(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573757297 948834410 /nfs/dbraw/zinc/83/44/10/948834410.db2.gz ZPCAOPICGXTCKM-SNVBAGLBSA-N 0 1 381.400 1.031 20 0 GDADMN CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574422370 948836486 /nfs/dbraw/zinc/83/64/86/948836486.db2.gz ZPMRLFBWHHYZFY-UHFFFAOYSA-N 0 1 384.444 1.972 20 0 GDADMN C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574918572 948850902 /nfs/dbraw/zinc/85/09/02/948850902.db2.gz NQKCWIGQROOIRS-VIFPVBQESA-N 0 1 386.913 1.259 20 0 GDADMN C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574918572 948850911 /nfs/dbraw/zinc/85/09/11/948850911.db2.gz NQKCWIGQROOIRS-VIFPVBQESA-N 0 1 386.913 1.259 20 0 GDADMN CC(C)c1cnc(CNC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)o1 ZINC001574424788 948863030 /nfs/dbraw/zinc/86/30/30/948863030.db2.gz VOJIAZWKVPLYDR-LBPRGKRZSA-N 0 1 384.444 1.558 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccncn1 ZINC001574684442 948867418 /nfs/dbraw/zinc/86/74/18/948867418.db2.gz GOQJIBMDUQGIDJ-ZETCQYMHSA-N 0 1 379.837 1.387 20 0 GDADMN C[C@H](CNC(=O)CCc1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920056 948881200 /nfs/dbraw/zinc/88/12/00/948881200.db2.gz BCDMBOIMUJEBRM-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](CNC(=O)CCc1cnn(C)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920056 948881218 /nfs/dbraw/zinc/88/12/18/948881218.db2.gz BCDMBOIMUJEBRM-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)(C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C1CC1 ZINC001573764344 948887033 /nfs/dbraw/zinc/88/70/33/948887033.db2.gz NLIVESRMZBXEMX-LJQANCHMSA-N 0 1 382.472 1.522 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573765190 948903685 /nfs/dbraw/zinc/90/36/85/948903685.db2.gz WDTYJIXTIJQQIJ-OAHLLOKOSA-N 0 1 392.467 1.459 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574088051 948906630 /nfs/dbraw/zinc/90/66/30/948906630.db2.gz ACYDAIFPHOVUTQ-IMSKVBIZSA-N 0 1 384.459 1.844 20 0 GDADMN CC(F)(F)CCC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001575236931 948940543 /nfs/dbraw/zinc/94/05/43/948940543.db2.gz BQRKTRKQJWCZGA-LBPRGKRZSA-N 0 1 386.378 1.008 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574433435 948956079 /nfs/dbraw/zinc/95/60/79/948956079.db2.gz NKQBNZVAHNVRMS-LBPRGKRZSA-N 0 1 383.460 1.373 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575239049 948956769 /nfs/dbraw/zinc/95/67/69/948956769.db2.gz PRLVNWWXNOEUIW-MNOVXSKESA-N 0 1 380.403 1.353 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573773079 948973051 /nfs/dbraw/zinc/97/30/51/948973051.db2.gz GGBUDQRBXXAYDA-SFHVURJKSA-N 0 1 391.479 1.930 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573774503 949011454 /nfs/dbraw/zinc/01/14/54/949011454.db2.gz SVZOKHYFYWCQBH-ZDUSSCGKSA-N 0 1 387.463 1.575 20 0 GDADMN C[C@@H](CNC(=O)COC(C)(C)C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574927142 949035408 /nfs/dbraw/zinc/03/54/08/949035408.db2.gz FWHBDHXYYDXDOA-QMMMGPOBSA-N 0 1 387.897 1.733 20 0 GDADMN CC(C)(C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573775279 949039799 /nfs/dbraw/zinc/03/97/99/949039799.db2.gz VOZLBPKXAPPWOX-GFCCVEGCSA-N 0 1 383.378 1.579 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574441777 949077847 /nfs/dbraw/zinc/07/78/47/949077847.db2.gz WUIPPGXRWGNAEE-HAQNSBGRSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574092883 949084855 /nfs/dbraw/zinc/08/48/55/949084855.db2.gz UWKIZJNDYPIHFJ-MAWWUMEMSA-N 0 1 382.472 1.210 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446452 949134473 /nfs/dbraw/zinc/13/44/73/949134473.db2.gz QKRIEVLQSGYGKD-HAQNSBGRSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CCC1 ZINC001573786954 949156130 /nfs/dbraw/zinc/15/61/30/949156130.db2.gz JVWDRRNSQGQCQU-IAGOWNOFSA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H](c1cnccn1)N1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575514275 949161604 /nfs/dbraw/zinc/16/16/04/949161604.db2.gz BVQQGZIAVXQPAS-GFCCVEGCSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575252427 949162936 /nfs/dbraw/zinc/16/29/36/949162936.db2.gz QHXGAZIECQCBGY-IUCAKERBSA-N 0 1 386.382 1.362 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574934565 949166471 /nfs/dbraw/zinc/16/64/71/949166471.db2.gz LDORYLYTFWNQIC-ZDUSSCGKSA-N 0 1 384.415 1.679 20 0 GDADMN CC(C)CC(=O)N(C)CCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574099158 949168611 /nfs/dbraw/zinc/16/86/11/949168611.db2.gz IOPUXZWXJKAYMN-UHFFFAOYSA-N 0 1 385.516 1.489 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574698452 949191322 /nfs/dbraw/zinc/19/13/22/949191322.db2.gz LAKDMYJVTPWTCH-NWDGAFQWSA-N 0 1 386.435 1.867 20 0 GDADMN C[C@H](c1cnccn1)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515878 949199618 /nfs/dbraw/zinc/19/96/18/949199618.db2.gz MEJGWXLMPSETPH-CHWSQXEVSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574936778 949214267 /nfs/dbraw/zinc/21/42/67/949214267.db2.gz KSYPCTYZJHEUGR-NSHDSACASA-N 0 1 387.394 1.724 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699058 949222546 /nfs/dbraw/zinc/22/25/46/949222546.db2.gz RXXXTKRGCWGDPV-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001574699434 949237773 /nfs/dbraw/zinc/23/77/73/949237773.db2.gz UWBWXFJNHPGVJL-NWDGAFQWSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001574699434 949237799 /nfs/dbraw/zinc/23/77/99/949237799.db2.gz UWBWXFJNHPGVJL-NWDGAFQWSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574940444 949263328 /nfs/dbraw/zinc/26/33/28/949263328.db2.gz FYXUKJAVJGXVRU-GFCCVEGCSA-N 0 1 378.440 1.115 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(F)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574940453 949266609 /nfs/dbraw/zinc/26/66/09/949266609.db2.gz GCUOIGVYDLEREY-LBPRGKRZSA-N 0 1 386.406 1.982 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573792789 949270665 /nfs/dbraw/zinc/27/06/65/949270665.db2.gz VKKAYOZJJDXZOF-UONOGXRCSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574702085 949274628 /nfs/dbraw/zinc/27/46/28/949274628.db2.gz GIYRBKMLZSAWPH-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574702085 949274648 /nfs/dbraw/zinc/27/46/48/949274648.db2.gz GIYRBKMLZSAWPH-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574702084 949275850 /nfs/dbraw/zinc/27/58/50/949275850.db2.gz GIYRBKMLZSAWPH-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)C1(C)CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574702084 949275866 /nfs/dbraw/zinc/27/58/66/949275866.db2.gz GIYRBKMLZSAWPH-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)C1 ZINC001576153356 949288112 /nfs/dbraw/zinc/28/81/12/949288112.db2.gz LZSKDQPGJSAQBK-BARDWOONSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccoc1 ZINC001576153743 949294489 /nfs/dbraw/zinc/29/44/89/949294489.db2.gz AMINPLMAUODZQM-SGTLLEGYSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@H](NC(=O)C1=CCOCC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575259612 949335015 /nfs/dbraw/zinc/33/50/15/949335015.db2.gz PTPHGQNENHIVGG-LBPRGKRZSA-N 0 1 386.431 1.289 20 0 GDADMN C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260814 949361774 /nfs/dbraw/zinc/36/17/74/949361774.db2.gz XSCXBRCULLBWAY-ABAIWWIYSA-N 0 1 376.411 1.849 20 0 GDADMN CC1(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CCCCCC1 ZINC001575526341 949366208 /nfs/dbraw/zinc/36/62/08/949366208.db2.gz XYUPLJRDYBNLCJ-UHFFFAOYSA-N 0 1 387.488 1.277 20 0 GDADMN C[C@@H]1CCC[C@H](C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576154929 949367886 /nfs/dbraw/zinc/36/78/86/949367886.db2.gz RPWVGBMDZZZJQJ-HIFRSBDPSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O ZINC001573799386 949371390 /nfs/dbraw/zinc/37/13/90/949371390.db2.gz LZZTZGAPSUGKTF-HTQZYQBOSA-N 0 1 385.881 1.079 20 0 GDADMN C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575262524 949380671 /nfs/dbraw/zinc/38/06/71/949380671.db2.gz BFZSJJSMVXWBPX-RBZFPXEDSA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CCCOCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263140 949388873 /nfs/dbraw/zinc/38/88/73/949388873.db2.gz DYXMKLCLEGKJQT-GOEBONIOSA-N 0 1 384.484 1.620 20 0 GDADMN CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001575528304 949398183 /nfs/dbraw/zinc/39/81/83/949398183.db2.gz RLJRGJITNINEBN-HNNXBMFYSA-N 0 1 385.472 1.149 20 0 GDADMN CC1(C(=O)N2CCC(CNc3ccncc3-c3nn[nH]n3)CC2)CC(F)(F)C1 ZINC001575533184 949410445 /nfs/dbraw/zinc/41/04/45/949410445.db2.gz FADUKDGRQQVGQU-UHFFFAOYSA-N 0 1 391.426 1.770 20 0 GDADMN CC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573804503 949469929 /nfs/dbraw/zinc/46/99/29/949469929.db2.gz WOJDHANAVCCYBK-GOSISDBHSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576158816 949507023 /nfs/dbraw/zinc/50/70/23/949507023.db2.gz UTJWZUCGKMWLOK-KGLIPLIRSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNCc1ccon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576158886 949512124 /nfs/dbraw/zinc/51/21/24/949512124.db2.gz VMNOPCKVVKAAQR-XIKOKIGWSA-N 0 1 384.444 1.651 20 0 GDADMN C[C@@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN(C)CC1 ZINC001574949847 949516767 /nfs/dbraw/zinc/51/67/67/949516767.db2.gz FEDHXSMFFBRXFA-NSHDSACASA-N 0 1 378.868 1.278 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCC(=O)NCCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576163579 949534662 /nfs/dbraw/zinc/53/46/62/949534662.db2.gz CCCHSLHSABVOSU-ZIAGYGMSSA-N 0 1 388.476 1.195 20 0 GDADMN C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574475524 949573245 /nfs/dbraw/zinc/57/32/45/949573245.db2.gz BELUELKLZUIFSW-NXEZZACHSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001574476034 949583010 /nfs/dbraw/zinc/58/30/10/949583010.db2.gz FDMLHMBZUFFJFB-ZDUSSCGKSA-N 0 1 388.501 1.666 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCCN1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001576166670 949589743 /nfs/dbraw/zinc/58/97/43/949589743.db2.gz NIQZEEBJDQPBEJ-CXAGYDPISA-N 0 1 387.488 1.452 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnns1 ZINC001573811319 949596493 /nfs/dbraw/zinc/59/64/93/949596493.db2.gz JYOIKQDMDNOEOZ-LBPRGKRZSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnns1 ZINC001573811319 949596507 /nfs/dbraw/zinc/59/65/07/949596507.db2.gz JYOIKQDMDNOEOZ-LBPRGKRZSA-N 0 1 392.514 1.714 20 0 GDADMN C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCOC1 ZINC001575546840 949612582 /nfs/dbraw/zinc/61/25/82/949612582.db2.gz SDFWCEVNQNZPQQ-AUUYWEPGSA-N 0 1 385.472 1.293 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574715171 949640844 /nfs/dbraw/zinc/64/08/44/949640844.db2.gz HHLXMQUYLIPKRM-IUCAKERBSA-N 0 1 385.881 1.805 20 0 GDADMN C[C@@H](NC(=O)CC[C@@H]1CCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575272320 949641434 /nfs/dbraw/zinc/64/14/34/949641434.db2.gz OWBITNMJVRUFJO-OCCSQVGLSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574957932 949641722 /nfs/dbraw/zinc/64/17/22/949641722.db2.gz JJDKKOPTYHRZNM-ZIAGYGMSSA-N 0 1 380.456 1.476 20 0 GDADMN C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001575273265 949660734 /nfs/dbraw/zinc/66/07/34/949660734.db2.gz VEHMCXZJVMCBLR-DTWKUNHWSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001575273265 949660744 /nfs/dbraw/zinc/66/07/44/949660744.db2.gz VEHMCXZJVMCBLR-DTWKUNHWSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@H](C)NC(=O)CCCCc1cn[nH]n1 ZINC001575273799 949673607 /nfs/dbraw/zinc/67/36/07/949673607.db2.gz YDLGDZNMUNNIGB-NEPJUHHUSA-N 0 1 384.448 1.098 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574958808 949695528 /nfs/dbraw/zinc/69/55/28/949695528.db2.gz NRGMWJVKHMZXSJ-KCPJHIHWSA-N 0 1 384.415 1.997 20 0 GDADMN C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574958794 949696158 /nfs/dbraw/zinc/69/61/58/949696158.db2.gz WRLFRDWKFRCNAC-AGKSTNPPSA-N 0 1 392.467 1.791 20 0 GDADMN C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@@H]3C2)CCOC1 ZINC001575554469 949696322 /nfs/dbraw/zinc/69/63/22/949696322.db2.gz SUAVDEZLAUVJGZ-JCGVRSQUSA-N 0 1 388.497 1.245 20 0 GDADMN C[C@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@@H]3C2)CCOC1 ZINC001575554469 949696332 /nfs/dbraw/zinc/69/63/32/949696332.db2.gz SUAVDEZLAUVJGZ-JCGVRSQUSA-N 0 1 388.497 1.245 20 0 GDADMN C[C@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[n-]n5)s4)C[C@@H]3C2)CCOC1 ZINC001575554469 949696342 /nfs/dbraw/zinc/69/63/42/949696342.db2.gz SUAVDEZLAUVJGZ-JCGVRSQUSA-N 0 1 388.497 1.245 20 0 GDADMN C[C@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(-c5nn[n-]n5)s4)C[C@@H]3C2)CCOC1 ZINC001575554469 949696355 /nfs/dbraw/zinc/69/63/55/949696355.db2.gz SUAVDEZLAUVJGZ-JCGVRSQUSA-N 0 1 388.497 1.245 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574958973 949700569 /nfs/dbraw/zinc/70/05/69/949700569.db2.gz XBBISZBDBMTJDY-REJLFOLJSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574958973 949700583 /nfs/dbraw/zinc/70/05/83/949700583.db2.gz XBBISZBDBMTJDY-REJLFOLJSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574478354 949704357 /nfs/dbraw/zinc/70/43/57/949704357.db2.gz YPCNVTRWTRJFKF-UONOGXRCSA-N 0 1 381.444 1.147 20 0 GDADMN C[C@@H](NC(=O)CCc1ccon1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575276124 949709018 /nfs/dbraw/zinc/70/90/18/949709018.db2.gz GRICLTLIMUGSJL-LLVKDONJSA-N 0 1 387.469 1.486 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574959756 949711816 /nfs/dbraw/zinc/71/18/16/949711816.db2.gz SOPRINQNAVOQPI-QJPTWQEYSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+](C)C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574716990 949720095 /nfs/dbraw/zinc/72/00/95/949720095.db2.gz NIQLTJKBNAOUDZ-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H](CC(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574479318 949732963 /nfs/dbraw/zinc/73/29/63/949732963.db2.gz DOMYYUPMZLUJKW-CYBMUJFWSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@]1(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CCCC2)CCOC1 ZINC001575558832 949748011 /nfs/dbraw/zinc/74/80/11/949748011.db2.gz SMSVKRRYTLTKNF-QFBILLFUSA-N 0 1 385.472 1.197 20 0 GDADMN CC(C)(C)[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001573820325 949762357 /nfs/dbraw/zinc/76/23/57/949762357.db2.gz XRRXHSBWOKYZSA-GYSYKLTISA-N 0 1 396.459 1.126 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171509 949768890 /nfs/dbraw/zinc/76/88/90/949768890.db2.gz RNKQKZQFYIPRBD-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574718331 949777382 /nfs/dbraw/zinc/77/73/82/949777382.db2.gz ZWQYPJHMDNMSCQ-HXPMCKFVSA-N 0 1 390.463 1.493 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)CCCC1 ZINC001575560215 949781765 /nfs/dbraw/zinc/78/17/65/949781765.db2.gz MRUJTGSCUNWUFO-OLZOCXBDSA-N 0 1 382.472 1.498 20 0 GDADMN C[C@@H](CNC(=O)c1c(Cl)cnn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574965241 949795071 /nfs/dbraw/zinc/79/50/71/949795071.db2.gz DOVLAHSLUDXZJP-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575281406 949808260 /nfs/dbraw/zinc/80/82/60/949808260.db2.gz FYZUEBORMQFPPA-NEPJUHHUSA-N 0 1 385.403 1.207 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574965957 949829341 /nfs/dbraw/zinc/82/93/41/949829341.db2.gz PNLQDOUBNYWNAI-QMMMGPOBSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574722990 949850949 /nfs/dbraw/zinc/85/09/49/949850949.db2.gz ZELWJEONGBRLCX-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574722990 949850978 /nfs/dbraw/zinc/85/09/78/949850978.db2.gz ZELWJEONGBRLCX-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574724903 949885906 /nfs/dbraw/zinc/88/59/06/949885906.db2.gz LPIHIQVINSIGJU-LLVKDONJSA-N 0 1 375.458 1.486 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574724903 949885920 /nfs/dbraw/zinc/88/59/20/949885920.db2.gz LPIHIQVINSIGJU-LLVKDONJSA-N 0 1 375.458 1.486 20 0 GDADMN CC1(C(=O)N[C@@H]2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575565791 949887902 /nfs/dbraw/zinc/88/79/02/949887902.db2.gz YKHIENLTMQTQMD-UONOGXRCSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](NC(=O)COC(C)(C)C)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575284009 949893497 /nfs/dbraw/zinc/89/34/97/949893497.db2.gz SLICINOJGYBZLR-GFCCVEGCSA-N 0 1 390.463 1.757 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1cncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725254 949896045 /nfs/dbraw/zinc/89/60/45/949896045.db2.gz QJHSCBFSOQTCII-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574143984 949900060 /nfs/dbraw/zinc/90/00/60/949900060.db2.gz JVIGAYJMILSAEJ-KBPBESRZSA-N 0 1 388.476 1.193 20 0 GDADMN C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575284267 949903522 /nfs/dbraw/zinc/90/35/22/949903522.db2.gz TVMWLBPYZJZWGC-KGLIPLIRSA-N 0 1 387.488 1.798 20 0 GDADMN C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575284751 949917791 /nfs/dbraw/zinc/91/77/91/949917791.db2.gz WKBOWQQWWOLOOA-QWHCGFSZSA-N 0 1 388.476 1.193 20 0 GDADMN CCC[N@H+](CC(=O)[O-])C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001589669769 949926343 /nfs/dbraw/zinc/92/63/43/949926343.db2.gz FLGMLSVIOWAOGM-OAHLLOKOSA-N 0 1 388.386 1.964 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574726221 949929854 /nfs/dbraw/zinc/92/98/54/949929854.db2.gz XUADOQLJOKQRQD-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)(C)/C=C\C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573828736 949938952 /nfs/dbraw/zinc/93/89/52/949938952.db2.gz TUZRDUKYLJBSBC-RUSRXVSWSA-N 0 1 382.472 1.877 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180167 949943557 /nfs/dbraw/zinc/94/35/57/949943557.db2.gz NFPKYOICZBVPSM-ABAIWWIYSA-N 0 1 384.469 1.493 20 0 GDADMN CC1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOCC1 ZINC001575572889 949984091 /nfs/dbraw/zinc/98/40/91/949984091.db2.gz IWPAOAAQGBONSS-CQSZACIVSA-N 0 1 390.513 1.729 20 0 GDADMN CC1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOCC1 ZINC001575572889 949984112 /nfs/dbraw/zinc/98/41/12/949984112.db2.gz IWPAOAAQGBONSS-CQSZACIVSA-N 0 1 390.513 1.729 20 0 GDADMN CC(C)(C)CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001573834096 950013434 /nfs/dbraw/zinc/01/34/34/950013434.db2.gz FYCMIOQJOMOKLU-QWHCGFSZSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@]1(C(=O)NCC2(NCc3ccc(-c4nn[nH]n4)cc3F)CC2)CCCOC1 ZINC001575574896 950038046 /nfs/dbraw/zinc/03/80/46/950038046.db2.gz BIHKIJABQGBVEB-GOSISDBHSA-N 0 1 388.447 1.561 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)c1 ZINC001574151116 950053988 /nfs/dbraw/zinc/05/39/88/950053988.db2.gz LHKQNQCYUOQIHT-CYBMUJFWSA-N 0 1 388.501 1.596 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)c1 ZINC001574151116 950054011 /nfs/dbraw/zinc/05/40/11/950054011.db2.gz LHKQNQCYUOQIHT-CYBMUJFWSA-N 0 1 388.501 1.596 20 0 GDADMN O=C([O-])[C@@H]1C[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)Cc2ccccc21 ZINC001595287784 950055981 /nfs/dbraw/zinc/05/59/81/950055981.db2.gz PAHRGJAKUDURJT-QFBILLFUSA-N 0 1 396.443 1.995 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183668 950094104 /nfs/dbraw/zinc/09/41/04/950094104.db2.gz SFUIXULIUXRJML-DYVFJYSZSA-N 0 1 378.440 1.431 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575894703 950106528 /nfs/dbraw/zinc/10/65/28/950106528.db2.gz FZQBIXABAXRFIO-XJKSGUPXSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184058 950114015 /nfs/dbraw/zinc/11/40/15/950114015.db2.gz VNPOPCOGGVOWRA-TZMCWYRMSA-N 0 1 381.444 1.150 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575582758 950125341 /nfs/dbraw/zinc/12/53/41/950125341.db2.gz GQEBNQSNRSKEAC-AUUYWEPGSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734412 950132364 /nfs/dbraw/zinc/13/23/64/950132364.db2.gz LWUJZXWCRLQCMW-RCDCFZSISA-N 0 1 392.467 1.531 20 0 GDADMN NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262527478 950137133 /nfs/dbraw/zinc/13/71/33/950137133.db2.gz OXQCUBQQHFBDFE-QEJZJMRPSA-N 0 1 391.493 1.920 20 0 GDADMN C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184921 950145222 /nfs/dbraw/zinc/14/52/22/950145222.db2.gz YENIRUQUPCPNBR-STQMWFEESA-N 0 1 388.451 1.115 20 0 GDADMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+](C)CCC(=O)[O-] ZINC000262642337 950145900 /nfs/dbraw/zinc/14/59/00/950145900.db2.gz JEYJZJLGOAMKLP-CQSZACIVSA-N 0 1 397.497 1.595 20 0 GDADMN CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CCCCC1 ZINC001575584408 950169424 /nfs/dbraw/zinc/16/94/24/950169424.db2.gz QQPKBLHAEDCZIM-ZSOGYDGISA-N 0 1 382.472 1.426 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574154286 950170284 /nfs/dbraw/zinc/17/02/84/950170284.db2.gz CTEHIIXDULYNQG-MNOVXSKESA-N 0 1 382.419 1.313 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576191413 950198212 /nfs/dbraw/zinc/19/82/12/950198212.db2.gz FWUSPVRJVIIQFH-VXGBXAGGSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576191413 950198224 /nfs/dbraw/zinc/19/82/24/950198224.db2.gz FWUSPVRJVIIQFH-VXGBXAGGSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575585590 950198848 /nfs/dbraw/zinc/19/88/48/950198848.db2.gz AYUHFKFKQHJJHB-SJCJKPOMSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585590 950198869 /nfs/dbraw/zinc/19/88/69/950198869.db2.gz AYUHFKFKQHJJHB-SJCJKPOMSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585590 950198884 /nfs/dbraw/zinc/19/88/84/950198884.db2.gz AYUHFKFKQHJJHB-SJCJKPOMSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585590 950198902 /nfs/dbraw/zinc/19/89/02/950198902.db2.gz AYUHFKFKQHJJHB-SJCJKPOMSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585590 950198914 /nfs/dbraw/zinc/19/89/14/950198914.db2.gz AYUHFKFKQHJJHB-SJCJKPOMSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001574497088 950228560 /nfs/dbraw/zinc/22/85/60/950228560.db2.gz YTLKMQWFCIPGOU-GUYCJALGSA-N 0 1 380.456 1.443 20 0 GDADMN CC1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575587149 950229519 /nfs/dbraw/zinc/22/95/19/950229519.db2.gz LOQFIJYVBBCBBC-ZDUSSCGKSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575587149 950229538 /nfs/dbraw/zinc/22/95/38/950229538.db2.gz LOQFIJYVBBCBBC-ZDUSSCGKSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575587149 950229557 /nfs/dbraw/zinc/22/95/57/950229557.db2.gz LOQFIJYVBBCBBC-ZDUSSCGKSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575587149 950229576 /nfs/dbraw/zinc/22/95/76/950229576.db2.gz LOQFIJYVBBCBBC-ZDUSSCGKSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]nc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574983626 950229974 /nfs/dbraw/zinc/22/99/74/950229974.db2.gz QPOUSTGGEWFFLY-SNVBAGLBSA-N 0 1 384.419 1.514 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575587233 950233467 /nfs/dbraw/zinc/23/34/67/950233467.db2.gz MJJUQDGANJPYPX-YJYMSZOUSA-N 0 1 388.447 1.371 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(C)CCOCC1 ZINC001574157428 950237450 /nfs/dbraw/zinc/23/74/50/950237450.db2.gz BBSDKKRYGJVIED-CQSZACIVSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573845808 950240520 /nfs/dbraw/zinc/24/05/20/950240520.db2.gz MVTBDICQWHIMEY-OUCADQQQSA-N 0 1 392.529 1.567 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573845808 950240532 /nfs/dbraw/zinc/24/05/32/950240532.db2.gz MVTBDICQWHIMEY-OUCADQQQSA-N 0 1 392.529 1.567 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001574157668 950248617 /nfs/dbraw/zinc/24/86/17/950248617.db2.gz GFVJCUGJVPGZEV-OAHLLOKOSA-N 0 1 380.456 1.264 20 0 GDADMN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192742 950260491 /nfs/dbraw/zinc/26/04/91/950260491.db2.gz QPURLYYXMRNRPG-RBGFHDKUSA-N 0 1 381.484 1.626 20 0 GDADMN CC(=O)NCC[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000263111831 950273006 /nfs/dbraw/zinc/27/30/06/950273006.db2.gz BUDHBIIJJQIFMW-KSSFIOAISA-N 0 1 375.469 1.482 20 0 GDADMN C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCCO1 ZINC001574498441 950276404 /nfs/dbraw/zinc/27/64/04/950276404.db2.gz NHOKJPBHJSGMFQ-OCCSQVGLSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@H](CC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574500232 950307326 /nfs/dbraw/zinc/30/73/26/950307326.db2.gz YMAZUBSSAVIGBY-WHXUTIOJSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@H]1CCCO1 ZINC001574500385 950314885 /nfs/dbraw/zinc/31/48/85/950314885.db2.gz ZXKFPKFDNBOJCD-XJKSGUPXSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ncccc1[O-] ZINC001575907155 950324594 /nfs/dbraw/zinc/32/45/94/950324594.db2.gz LWYVFZSJKFYEOB-ZYHUDNBSSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907218 950329374 /nfs/dbraw/zinc/32/93/74/950329374.db2.gz MWOIHARJAMTABD-WCQYABFASA-N 0 1 378.502 1.822 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907218 950329395 /nfs/dbraw/zinc/32/93/95/950329395.db2.gz MWOIHARJAMTABD-WCQYABFASA-N 0 1 378.502 1.822 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575907428 950334474 /nfs/dbraw/zinc/33/44/74/950334474.db2.gz OSXWXUQJFIEXQN-GWCFXTLKSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575907428 950334492 /nfs/dbraw/zinc/33/44/92/950334492.db2.gz OSXWXUQJFIEXQN-GWCFXTLKSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1CCN(C(=O)c2ccn[nH]2)C[C@@H]1CNc1cccc(F)c1-c1nn[nH]n1 ZINC001576194453 950343517 /nfs/dbraw/zinc/34/35/17/950343517.db2.gz ZZUBKUDGOXQMTK-RYUDHWBXSA-N 0 1 384.419 1.939 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc(F)ccc1F ZINC001574745283 950376698 /nfs/dbraw/zinc/37/66/98/950376698.db2.gz HTHBNGHGWOSWLY-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575597025 950398510 /nfs/dbraw/zinc/39/85/10/950398510.db2.gz LHQKBPQWNZFHNY-JCGVRSQUSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575597025 950398544 /nfs/dbraw/zinc/39/85/44/950398544.db2.gz LHQKBPQWNZFHNY-JCGVRSQUSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574503111 950403315 /nfs/dbraw/zinc/40/33/15/950403315.db2.gz UASPVRUIVONZPO-CABCVRRESA-N 0 1 392.467 1.793 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574507404 950453122 /nfs/dbraw/zinc/45/31/22/950453122.db2.gz IFTCLGTWZDEDCU-WSMBLCCSSA-N 0 1 385.472 1.196 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575607578 950506623 /nfs/dbraw/zinc/50/66/23/950506623.db2.gz KCBIFGFLSNOXAX-JOCQHMNTSA-N 0 1 390.513 1.729 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575607578 950506639 /nfs/dbraw/zinc/50/66/39/950506639.db2.gz KCBIFGFLSNOXAX-JOCQHMNTSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574996439 950530165 /nfs/dbraw/zinc/53/01/65/950530165.db2.gz NPACCKBUKXXZHN-JTQLQIEISA-N 0 1 388.501 1.857 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574996439 950530181 /nfs/dbraw/zinc/53/01/81/950530181.db2.gz NPACCKBUKXXZHN-JTQLQIEISA-N 0 1 388.501 1.857 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573867368 950534155 /nfs/dbraw/zinc/53/41/55/950534155.db2.gz XMIODUCMAGYQHA-CQSZACIVSA-N 0 1 376.436 1.511 20 0 GDADMN CC1CCN(CC(=O)NCC2CC(Nc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576205731 950534754 /nfs/dbraw/zinc/53/47/54/950534754.db2.gz NTOOWXRDWPMXNN-UHFFFAOYSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NCC2CC(Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205977 950553188 /nfs/dbraw/zinc/55/31/88/950553188.db2.gz SHABQDCJQTZFLI-HSBZDZAISA-N 0 1 387.463 1.654 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NCC2CC(Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205977 950553203 /nfs/dbraw/zinc/55/32/03/950553203.db2.gz SHABQDCJQTZFLI-HSBZDZAISA-N 0 1 387.463 1.654 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)no1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574999451 950580613 /nfs/dbraw/zinc/58/06/13/950580613.db2.gz KDWVAEQNMQZEMV-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN CC1CCN(CC(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576206962 950588209 /nfs/dbraw/zinc/58/82/09/950588209.db2.gz ZWTGEZSLDXYITE-INIZCTEOSA-N 0 1 384.488 1.079 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573870570 950600238 /nfs/dbraw/zinc/60/02/38/950600238.db2.gz IUECKFJVKXTDKG-AWEZNQCLSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573870570 950600256 /nfs/dbraw/zinc/60/02/56/950600256.db2.gz IUECKFJVKXTDKG-AWEZNQCLSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)CCC(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574174041 950616194 /nfs/dbraw/zinc/61/61/94/950616194.db2.gz DSQFCEGSCYBOBO-HXUWFJFHSA-N 0 1 386.500 1.746 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001576213432 950629196 /nfs/dbraw/zinc/62/91/96/950629196.db2.gz AAATUHKEYKWKNC-GJZGRUSLSA-N 0 1 387.492 1.132 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575001481 950631708 /nfs/dbraw/zinc/63/17/08/950631708.db2.gz LHBOIAORNSPICA-QMMMGPOBSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575921323 950637929 /nfs/dbraw/zinc/63/79/29/950637929.db2.gz NKGWVAHWSNRRCJ-SCZZXKLOSA-N 0 1 390.354 1.324 20 0 GDADMN CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cc2)CC1 ZINC001589744560 950660999 /nfs/dbraw/zinc/66/09/99/950660999.db2.gz SEOBRHXQESSZJH-QFBILLFUSA-N 0 1 388.512 1.810 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575924211 950666712 /nfs/dbraw/zinc/66/67/12/950666712.db2.gz DYKOOPQKSZETGB-GXFFZTMASA-N 0 1 384.831 1.447 20 0 GDADMN CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1 ZINC001574176099 950670839 /nfs/dbraw/zinc/67/08/39/950670839.db2.gz UHCMSCQCQFAASM-QLFBSQMISA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccncc1 ZINC001574519686 950688629 /nfs/dbraw/zinc/68/86/29/950688629.db2.gz XNWAKKMMDAMLJW-RXMXQMHTSA-N 0 1 390.451 1.401 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575925822 950692439 /nfs/dbraw/zinc/69/24/39/950692439.db2.gz VBOOAOYTLCZZDD-WBMJQRKESA-N 0 1 390.451 1.282 20 0 GDADMN CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]21 ZINC001575626463 950711929 /nfs/dbraw/zinc/71/19/29/950711929.db2.gz ZPABQARPNOFGEE-WQVCFCJDSA-N 0 1 382.472 1.566 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575926538 950712215 /nfs/dbraw/zinc/71/22/15/950712215.db2.gz XNPJZVLXRNRURY-NHYWBVRUSA-N 0 1 382.472 1.306 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574763649 950727285 /nfs/dbraw/zinc/72/72/85/950727285.db2.gz HFZGQGSVKUTDKI-GFCCVEGCSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575927332 950740292 /nfs/dbraw/zinc/74/02/92/950740292.db2.gz PDMTZYLBGWQZCJ-WCBMZHEXSA-N 0 1 390.354 1.324 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576217060 950753089 /nfs/dbraw/zinc/75/30/89/950753089.db2.gz GOANQCAKSNUUMJ-JQWIXIFHSA-N 0 1 377.399 1.378 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575931604 950813093 /nfs/dbraw/zinc/81/30/93/950813093.db2.gz IYWVPIIRNVOGLC-WPRPVWTQSA-N 0 1 392.876 1.949 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576220087 950822017 /nfs/dbraw/zinc/82/20/17/950822017.db2.gz QIFIHFNYNRTSML-WDEREUQCSA-N 0 1 392.414 1.163 20 0 GDADMN CC1(C)C[C@@H](NC(=O)C2=CCCC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639346 950865202 /nfs/dbraw/zinc/86/52/02/950865202.db2.gz RHGCTGGAOZAZKH-AWEZNQCLSA-N 0 1 382.472 1.878 20 0 GDADMN CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001576222214 950869594 /nfs/dbraw/zinc/86/95/94/950869594.db2.gz XZKYMAGIXTZHJG-AWEZNQCLSA-N 0 1 385.472 1.504 20 0 GDADMN CC(C)(CC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C1CC1 ZINC001573893574 950889161 /nfs/dbraw/zinc/88/91/61/950889161.db2.gz LKNABIYTSQKMBX-ZDUSSCGKSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1cnns1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574527540 950892731 /nfs/dbraw/zinc/89/27/31/950892731.db2.gz DBNQSQDBSVPNFK-BDAKNGLRSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1cnns1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574527540 950892752 /nfs/dbraw/zinc/89/27/52/950892752.db2.gz DBNQSQDBSVPNFK-BDAKNGLRSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574527705 950900100 /nfs/dbraw/zinc/90/01/00/950900100.db2.gz GCEADXDKOMGEAC-MNOVXSKESA-N 0 1 387.469 1.716 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574527705 950900115 /nfs/dbraw/zinc/90/01/15/950900115.db2.gz GCEADXDKOMGEAC-MNOVXSKESA-N 0 1 387.469 1.716 20 0 GDADMN CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575642005 950930943 /nfs/dbraw/zinc/93/09/43/950930943.db2.gz SLOLSZIGRSPJJJ-CZUORRHYSA-N 0 1 385.472 1.552 20 0 GDADMN CC1(C)C[C@H]1C(=O)N(CCO)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575643038 950957003 /nfs/dbraw/zinc/95/70/03/950957003.db2.gz XDJICJJYCGESBH-QMMMGPOBSA-N 0 1 385.881 1.256 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CCO1 ZINC001575937759 950962754 /nfs/dbraw/zinc/96/27/54/950962754.db2.gz HAHLBXHEAQTLHX-ZFWWWQNUSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025497 951130502 /nfs/dbraw/zinc/13/05/02/951130502.db2.gz ZRZZRKFKBDSFOM-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN C[C@@H](CNC(=O)c1ccncc1C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575033839 951229591 /nfs/dbraw/zinc/22/95/91/951229591.db2.gz CIWPELRWMKFZDU-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1ccsn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575037534 951305210 /nfs/dbraw/zinc/30/52/10/951305210.db2.gz AHPPUBOHPZEHSG-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H]1[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000389068294 951343802 /nfs/dbraw/zinc/34/38/02/951343802.db2.gz VPUQCUXGZQASKJ-PBHICJAKSA-N 0 1 381.498 1.280 20 0 GDADMN C[C@@H](CNC(=O)c1cncnc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575045618 951429862 /nfs/dbraw/zinc/42/98/62/951429862.db2.gz FLRIXUNQPZFKLW-ZETCQYMHSA-N 0 1 379.837 1.021 20 0 GDADMN CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575045959 951435974 /nfs/dbraw/zinc/43/59/74/951435974.db2.gz JVAXGTBPVUERBH-LBPRGKRZSA-N 0 1 381.444 1.075 20 0 GDADMN C[C@H](CNC(=O)c1cncc(Cl)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575046555 951443843 /nfs/dbraw/zinc/44/38/43/951443843.db2.gz OXQWRTYRZQGYTC-SNVBAGLBSA-N 0 1 389.822 1.962 20 0 GDADMN C[C@H](CNC(=O)c1csc(Cl)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575055824 951511215 /nfs/dbraw/zinc/51/12/15/951511215.db2.gz AMOBNHODLPVSOX-QMMMGPOBSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@H](CNC(=O)c1coc(C2CC2)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575057876 951533341 /nfs/dbraw/zinc/53/33/41/951533341.db2.gz SGAJYDZQEFAVJM-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575060650 951545747 /nfs/dbraw/zinc/54/57/47/951545747.db2.gz CALJOLAPODCYEX-LLVKDONJSA-N 0 1 381.444 1.118 20 0 GDADMN C[C@H](CNC(=O)c1n[nH]cc1F)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575060744 951547505 /nfs/dbraw/zinc/54/75/05/951547505.db2.gz FMGVMVYDPPLWNS-RXMQYKEDSA-N 0 1 385.816 1.094 20 0 GDADMN C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575067524 951613285 /nfs/dbraw/zinc/61/32/85/951613285.db2.gz UULOUPFUJCXCIE-LLVKDONJSA-N 0 1 382.428 1.028 20 0 GDADMN C[C@@H](CNCc1cc(C(C)(C)C)on1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077393 951668417 /nfs/dbraw/zinc/66/84/17/951668417.db2.gz CIBJZTUYRQWTKR-NSHDSACASA-N 0 1 386.460 1.636 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575088708 951742789 /nfs/dbraw/zinc/74/27/89/951742789.db2.gz BEHGORNJWBCJOO-DIFFPNOSSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575088708 951742797 /nfs/dbraw/zinc/74/27/97/951742797.db2.gz BEHGORNJWBCJOO-DIFFPNOSSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CCC(O)CC1 ZINC001575090995 951765959 /nfs/dbraw/zinc/76/59/59/951765959.db2.gz OSQKJXBDDUSYHN-FUJMWEONSA-N 0 1 390.463 1.493 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1ccncn1)C1CC1 ZINC001575091933 951787963 /nfs/dbraw/zinc/78/79/63/951787963.db2.gz ZFFCWLXCZMHQFX-KRWDZBQOSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)c1ccncn1)C1CC1 ZINC001575091933 951787967 /nfs/dbraw/zinc/78/79/67/951787967.db2.gz ZFFCWLXCZMHQFX-KRWDZBQOSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099001 951828163 /nfs/dbraw/zinc/82/81/63/951828163.db2.gz GVGOMKKFXYGQAJ-NEPJUHHUSA-N 0 1 388.501 1.307 20 0 GDADMN C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099001 951828168 /nfs/dbraw/zinc/82/81/68/951828168.db2.gz GVGOMKKFXYGQAJ-NEPJUHHUSA-N 0 1 388.501 1.307 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)no1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099320 951832085 /nfs/dbraw/zinc/83/20/85/951832085.db2.gz JZWDNLANSUTNJJ-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)no1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099320 951832099 /nfs/dbraw/zinc/83/20/99/951832099.db2.gz JZWDNLANSUTNJJ-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)C(F)(F)F)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099387 951833224 /nfs/dbraw/zinc/83/32/24/951833224.db2.gz LGHIPRGHBMFPHV-DTWKUNHWSA-N 0 1 376.408 1.969 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)C(F)(F)F)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099387 951833232 /nfs/dbraw/zinc/83/32/32/951833232.db2.gz LGHIPRGHBMFPHV-DTWKUNHWSA-N 0 1 376.408 1.969 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)c1cccnc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100801 951847500 /nfs/dbraw/zinc/84/75/00/951847500.db2.gz VGZFBRNMSCUKJK-QWHCGFSZSA-N 0 1 385.497 1.969 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)c1cccnc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100801 951847510 /nfs/dbraw/zinc/84/75/10/951847510.db2.gz VGZFBRNMSCUKJK-QWHCGFSZSA-N 0 1 385.497 1.969 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101053 951851372 /nfs/dbraw/zinc/85/13/72/951851372.db2.gz YJPPYVMFVCHQNJ-LMRQPLJMSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101053 951851377 /nfs/dbraw/zinc/85/13/77/951851377.db2.gz YJPPYVMFVCHQNJ-LMRQPLJMSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cncn1C ZINC001575101069 951853954 /nfs/dbraw/zinc/85/39/54/951853954.db2.gz YWLZBLYYDWURDE-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccncc1F ZINC001575101968 951865529 /nfs/dbraw/zinc/86/55/29/951865529.db2.gz KDPCVYYNJJTOSM-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccncc1F ZINC001575101968 951865537 /nfs/dbraw/zinc/86/55/37/951865537.db2.gz KDPCVYYNJJTOSM-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[N@H+]2[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001602889143 971791051 /nfs/dbraw/zinc/79/10/51/971791051.db2.gz QDILCDIBIONEDA-FOIQADDNSA-N 0 1 395.500 1.928 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl)N1CCCCC1 ZINC001575117305 951977331 /nfs/dbraw/zinc/97/73/31/951977331.db2.gz MCGPXJXBMMJVEZ-NSHDSACASA-N 0 1 384.893 1.673 20 0 GDADMN C[C@H](CNCc1csc(Cl)n1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119596 951989206 /nfs/dbraw/zinc/98/92/06/951989206.db2.gz YHSAKKVOXXPHOX-MRVPVSSYSA-N 0 1 380.865 1.460 20 0 GDADMN O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001595135763 952051158 /nfs/dbraw/zinc/05/11/58/952051158.db2.gz DNOOXLLJFSFRJR-KRWDZBQOSA-N 0 1 390.484 1.232 20 0 GDADMN CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000382277150 971806725 /nfs/dbraw/zinc/80/67/25/971806725.db2.gz FLRUNDPQGXJVAE-INIZCTEOSA-N 0 1 375.450 1.675 20 0 GDADMN CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000382277150 971806731 /nfs/dbraw/zinc/80/67/31/971806731.db2.gz FLRUNDPQGXJVAE-INIZCTEOSA-N 0 1 375.450 1.675 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575143536 952154381 /nfs/dbraw/zinc/15/43/81/952154381.db2.gz QDXNHGCTQDDDQE-GOSISDBHSA-N 0 1 382.428 1.001 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001575143639 952156360 /nfs/dbraw/zinc/15/63/60/952156360.db2.gz QGCBJHIDZCOODR-HIFRSBDPSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575145651 952188789 /nfs/dbraw/zinc/18/87/89/952188789.db2.gz CDBWEYCQNNCWPG-GFCCVEGCSA-N 0 1 383.460 1.208 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575146275 952193274 /nfs/dbraw/zinc/19/32/74/952193274.db2.gz JROGZAVKJGIRKD-NSHDSACASA-N 0 1 382.428 1.051 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575146836 952197701 /nfs/dbraw/zinc/19/77/01/952197701.db2.gz OPWSMJYUKWRLNE-AEGPPILISA-N 0 1 378.440 1.141 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575147741 952200942 /nfs/dbraw/zinc/20/09/42/952200942.db2.gz VHSSQRFEZLAYKE-LBPRGKRZSA-N 0 1 379.424 1.191 20 0 GDADMN C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)CCc1cnc[nH]1 ZINC001575165565 952310318 /nfs/dbraw/zinc/31/03/18/952310318.db2.gz PGOLBWVEWRSNMV-SNVBAGLBSA-N 0 1 389.851 1.530 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575165594 952311844 /nfs/dbraw/zinc/31/18/44/952311844.db2.gz PYIOQFGEORFLAF-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575165594 952311852 /nfs/dbraw/zinc/31/18/52/952311852.db2.gz PYIOQFGEORFLAF-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccnnc1 ZINC001575166769 952327764 /nfs/dbraw/zinc/32/77/64/952327764.db2.gz YWGPGMPKSXRBQK-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccn(C)c1 ZINC001575166710 952328395 /nfs/dbraw/zinc/32/83/95/952328395.db2.gz XOSCPSVIEBNTOL-MRVPVSSYSA-N 0 1 380.865 1.888 20 0 GDADMN O=C([O-])c1c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc2n1CCOC2 ZINC001595206425 952329357 /nfs/dbraw/zinc/32/93/57/952329357.db2.gz KUEARIFNRQOMKU-HNNXBMFYSA-N 0 1 384.436 1.962 20 0 GDADMN O=C([O-])c1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc2n1CCOC2 ZINC001595206426 952329742 /nfs/dbraw/zinc/32/97/42/952329742.db2.gz KUEARIFNRQOMKU-OAHLLOKOSA-N 0 1 384.436 1.962 20 0 GDADMN C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575191071 952466160 /nfs/dbraw/zinc/46/61/60/952466160.db2.gz WWAVROYFAMTRHM-NEPJUHHUSA-N 0 1 384.419 1.013 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575195931 952474761 /nfs/dbraw/zinc/47/47/61/952474761.db2.gz DJWLLAMNEMVRGK-KGLIPLIRSA-N 0 1 381.440 1.558 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575197274 952481919 /nfs/dbraw/zinc/48/19/19/952481919.db2.gz RNBCVEOGPOMSJD-IHRRRGAJSA-N 0 1 381.440 1.462 20 0 GDADMN O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571117981 952485444 /nfs/dbraw/zinc/48/54/44/952485444.db2.gz RPWGYARBQFIBGA-OAGGEKHMSA-N 0 1 375.436 1.500 20 0 GDADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccc2c1CCC2 ZINC001571118649 952489829 /nfs/dbraw/zinc/48/98/29/952489829.db2.gz YBJRWOQUYZCVRK-OKILXGFUSA-N 0 1 375.436 1.545 20 0 GDADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001571119927 952496715 /nfs/dbraw/zinc/49/67/15/952496715.db2.gz HBRWEIQKRWEHSK-UHFFFAOYSA-N 0 1 375.776 1.981 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CNc1ccc(-c2nn[nH]n2)nc1)C1CC1 ZINC001575201226 952501919 /nfs/dbraw/zinc/50/19/19/952501919.db2.gz HPHJBBORKOWXAK-BDJLRTHQSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575201978 952508909 /nfs/dbraw/zinc/50/89/09/952508909.db2.gz KJVCEGWOWYRJAR-IHRRRGAJSA-N 0 1 381.440 1.462 20 0 GDADMN CO[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571121909 952522555 /nfs/dbraw/zinc/52/25/55/952522555.db2.gz DSPYYBBNFGYRKL-UPJWGTAASA-N 0 1 376.486 1.528 20 0 GDADMN CO[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571121909 952522560 /nfs/dbraw/zinc/52/25/60/952522560.db2.gz DSPYYBBNFGYRKL-UPJWGTAASA-N 0 1 376.486 1.528 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123844 952532421 /nfs/dbraw/zinc/53/24/21/952532421.db2.gz WQVPZNABGLRGJV-XBFCOCLRSA-N 0 1 376.486 1.528 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123844 952532425 /nfs/dbraw/zinc/53/24/25/952532425.db2.gz WQVPZNABGLRGJV-XBFCOCLRSA-N 0 1 376.486 1.528 20 0 GDADMN Cc1cc(N(C)[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124687 952542610 /nfs/dbraw/zinc/54/26/10/952542610.db2.gz REIBBWIHUNIJPK-GFCCVEGCSA-N 0 1 377.399 1.653 20 0 GDADMN CC(F)(F)C(=O)NC[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1 ZINC001575211670 952549909 /nfs/dbraw/zinc/54/99/09/952549909.db2.gz YBFYHSNTAWNRBM-AWEZNQCLSA-N 0 1 380.399 1.229 20 0 GDADMN O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccncc1 ZINC001571128033 952562704 /nfs/dbraw/zinc/56/27/04/952562704.db2.gz NUINPPAURVJTOG-MRXNPFEDSA-N 0 1 377.452 1.904 20 0 GDADMN C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(C/C=C/c2ccccc2)C1 ZINC001571128476 952567452 /nfs/dbraw/zinc/56/74/52/952567452.db2.gz UHASCVRSFYSWIC-LHRNQBEKSA-N 0 1 377.452 1.958 20 0 GDADMN O=C(C[C@H]1CCC(F)(F)C1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571130530 952580960 /nfs/dbraw/zinc/58/09/60/952580960.db2.gz SKACDAZWOLVKNY-GHMZBOCLSA-N 0 1 378.387 1.177 20 0 GDADMN Cc1cccnc1C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571134140 952586147 /nfs/dbraw/zinc/58/61/47/952586147.db2.gz FDNSLJJBTHCXBG-AWEZNQCLSA-N 0 1 378.440 1.494 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134342 952589280 /nfs/dbraw/zinc/58/92/80/952589280.db2.gz DLFZCUNCNBIXAK-CJNGLKHVSA-N 0 1 378.440 1.440 20 0 GDADMN Cc1cc(N2CCC[C@H](CNC(=O)c3ccccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134975 952598392 /nfs/dbraw/zinc/59/83/92/952598392.db2.gz OECGBGXBBCRICE-CQSZACIVSA-N 0 1 378.440 1.612 20 0 GDADMN Cc1ccc(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cc1C ZINC001571135108 952599845 /nfs/dbraw/zinc/59/98/45/952599845.db2.gz RRLHPRFPMQYOAI-UHFFFAOYSA-N 0 1 378.440 1.626 20 0 GDADMN O=C(COc1ccccc1)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571142415 952642049 /nfs/dbraw/zinc/64/20/49/952642049.db2.gz UVBBJKQGTKLTEF-AWEZNQCLSA-N 0 1 379.424 1.023 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnc2n1CCC2 ZINC001571142709 952644974 /nfs/dbraw/zinc/64/49/74/952644974.db2.gz WBWYJMSOFFPJLC-OAHLLOKOSA-N 0 1 378.440 1.014 20 0 GDADMN O=C(c1c[nH]cc1C1CC1)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571142730 952645753 /nfs/dbraw/zinc/64/57/53/952645753.db2.gz WVYNHWYTDUZPEY-ZDUSSCGKSA-N 0 1 378.440 1.606 20 0 GDADMN CC(C)[C@@H](O)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001571142737 952646273 /nfs/dbraw/zinc/64/62/73/952646273.db2.gz XBANLXZFAGRLHO-SWLSCSKDSA-N 0 1 378.502 1.368 20 0 GDADMN CC(C)[C@@H](O)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001571142737 952646277 /nfs/dbraw/zinc/64/62/77/952646277.db2.gz XBANLXZFAGRLHO-SWLSCSKDSA-N 0 1 378.502 1.368 20 0 GDADMN Cc1cnccc1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571146282 952648173 /nfs/dbraw/zinc/64/81/73/952648173.db2.gz FNMODUWDEFVSRQ-CYBMUJFWSA-N 0 1 379.428 1.149 20 0 GDADMN O=C(Cc1ccoc1)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571154132 952689652 /nfs/dbraw/zinc/68/96/52/952689652.db2.gz YURWBDZCUWBAHM-VIFPVBQESA-N 0 1 379.833 1.825 20 0 GDADMN C[C@@H]1C[C@H](C(=O)Nc2c(-c3nn[nH]n3)nnn2Cc2ccccc2)CCC1=O ZINC001571154843 952690187 /nfs/dbraw/zinc/69/01/87/952690187.db2.gz CHWHCDWAEHPRLC-DGCLKSJQSA-N 0 1 380.412 1.450 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571156058 952700890 /nfs/dbraw/zinc/70/08/90/952700890.db2.gz BVWVJJBJJOOMNZ-GFCCVEGCSA-N 0 1 379.428 1.082 20 0 GDADMN O=C(NC1(C2CCN(c3ccncc3-c3nn[nH]n3)CC2)CC1)c1cocn1 ZINC001571160098 952723959 /nfs/dbraw/zinc/72/39/59/952723959.db2.gz DORZRWSCVKKGER-UHFFFAOYSA-N 0 1 380.412 1.429 20 0 GDADMN Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571160744 952727099 /nfs/dbraw/zinc/72/70/99/952727099.db2.gz LGQMFJGXUFCJNQ-ZIAGYGMSSA-N 0 1 380.412 1.133 20 0 GDADMN CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571167249 952772210 /nfs/dbraw/zinc/77/22/10/952772210.db2.gz ZTSMVTHUXWAVAM-UONOGXRCSA-N 0 1 380.449 1.004 20 0 GDADMN CCn1cnc(C(=O)N(C)C[C@@H]2CCN2Cc2ccccc2-c2nn[nH]n2)c1 ZINC001571170913 952790739 /nfs/dbraw/zinc/79/07/39/952790739.db2.gz ZHFMJHXJFDRKTA-HNNXBMFYSA-N 0 1 380.456 1.430 20 0 GDADMN C[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571178199 952835436 /nfs/dbraw/zinc/83/54/36/952835436.db2.gz AYGHWVHBIJDADY-STQMWFEESA-N 0 1 381.415 1.643 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)[C@H](F)c3ccccc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571178828 952847456 /nfs/dbraw/zinc/84/74/56/952847456.db2.gz VXDZLEKEHYVUAY-WMLDXEAASA-N 0 1 381.415 1.716 20 0 GDADMN CCc1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571182997 952871760 /nfs/dbraw/zinc/87/17/60/952871760.db2.gz LRWCLWWWCDXKHZ-CQSZACIVSA-N 0 1 381.440 1.730 20 0 GDADMN CCc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[nH]n4)nc3)[C@H](C)C2)n[nH]1 ZINC001571184320 952892533 /nfs/dbraw/zinc/89/25/33/952892533.db2.gz WDZDUIVJYWGYAE-BXUZGUMPSA-N 0 1 381.444 1.510 20 0 GDADMN CCn1cccc1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571185207 952900688 /nfs/dbraw/zinc/90/06/88/952900688.db2.gz JQMDWZUTOIYOMC-UHFFFAOYSA-N 0 1 381.444 1.125 20 0 GDADMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1C ZINC001571186316 952906707 /nfs/dbraw/zinc/90/67/07/952906707.db2.gz WJFWOVFVXBHNOD-CYBMUJFWSA-N 0 1 381.444 1.130 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)n3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187622 952909206 /nfs/dbraw/zinc/90/92/06/952909206.db2.gz AAJAOGDNJRKMIT-KGLIPLIRSA-N 0 1 381.444 1.113 20 0 GDADMN Cc1cc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C)n1C ZINC001571188003 952911185 /nfs/dbraw/zinc/91/11/85/952911185.db2.gz FNWRGKPPPOKRHX-GOSISDBHSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@@H]2C)n1 ZINC001571188126 952912710 /nfs/dbraw/zinc/91/27/10/952912710.db2.gz GBMRMKUERJMHMO-XHDPSFHLSA-N 0 1 381.444 1.185 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](C)[C@@H](CNc3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571189629 952932200 /nfs/dbraw/zinc/93/22/00/952932200.db2.gz ZBRMMQXHQSXQCS-AAEUAGOBSA-N 0 1 381.444 1.504 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N(C)C[C@H]2CCCCN2C(=O)c2ccn[nH]2)n1 ZINC001571189588 952932404 /nfs/dbraw/zinc/93/24/04/952932404.db2.gz XVLYHWZUFVQCSP-CYBMUJFWSA-N 0 1 381.444 1.424 20 0 GDADMN Cc1cc(N2CC[C@@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571192168 952947787 /nfs/dbraw/zinc/94/77/87/952947787.db2.gz SJCOKHRLSQGJQE-IJEWVQPXSA-N 0 1 381.484 1.901 20 0 GDADMN Cc1ccc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c(F)c1 ZINC001571197206 952987438 /nfs/dbraw/zinc/98/74/38/952987438.db2.gz UFULWHHDYLPGCB-UHFFFAOYSA-N 0 1 382.403 1.147 20 0 GDADMN CCc1nc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)co1 ZINC001571198770 952994006 /nfs/dbraw/zinc/99/40/06/952994006.db2.gz GBGURBJUGCWBJE-ZWNOBZJWSA-N 0 1 382.428 1.375 20 0 GDADMN CCc1nc(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571199021 952994805 /nfs/dbraw/zinc/99/48/05/952994805.db2.gz JZJZMIRVWTZFIL-UHFFFAOYSA-N 0 1 382.428 1.258 20 0 GDADMN CCc1ncoc1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571199128 952996453 /nfs/dbraw/zinc/99/64/53/952996453.db2.gz MDCNPEGYTNFAMK-LBPRGKRZSA-N 0 1 382.428 1.259 20 0 GDADMN CCc1oncc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571199165 952997053 /nfs/dbraw/zinc/99/70/53/952997053.db2.gz MRHXVNQFTOAYGV-RISCZKNCSA-N 0 1 382.428 1.518 20 0 GDADMN Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571200583 953011172 /nfs/dbraw/zinc/01/11/72/953011172.db2.gz FEOSPAXRKAQKAM-GXTWGEPZSA-N 0 1 382.428 1.475 20 0 GDADMN Cc1conc1CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC001571201676 953020141 /nfs/dbraw/zinc/02/01/41/953020141.db2.gz MVIQDQGDIXJCSU-WBMJQRKESA-N 0 1 382.428 1.228 20 0 GDADMN Cc1cc(NCC[C@H]2CCCN(C(=O)c3cocn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571201979 953021797 /nfs/dbraw/zinc/02/17/97/953021797.db2.gz PSYNIRSQBJSCQI-CYBMUJFWSA-N 0 1 382.428 1.334 20 0 GDADMN Cc1nocc1C(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202770 953028930 /nfs/dbraw/zinc/02/89/30/953028930.db2.gz YIMIKRNTSIOXMN-ZDUSSCGKSA-N 0 1 382.428 1.608 20 0 GDADMN Cc1noc(C)c1C(=O)N1CC[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571207072 953058960 /nfs/dbraw/zinc/05/89/60/953058960.db2.gz VRYRDHSNBFGOSF-GWCFXTLKSA-N 0 1 382.428 1.251 20 0 GDADMN C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571209810 953067854 /nfs/dbraw/zinc/06/78/54/953067854.db2.gz FOLMHCJNHAHEHW-VIBAHUMZSA-N 0 1 382.468 1.467 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571210787 953074206 /nfs/dbraw/zinc/07/42/06/953074206.db2.gz XEBQLAUPWSJYIS-QKLQHJQFSA-N 0 1 382.468 1.516 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCCC[C@H]2NC(=O)c2ncn[nH]2)n1 ZINC001571212162 953084973 /nfs/dbraw/zinc/08/49/73/953084973.db2.gz KFYQGQUFTPRGNE-WCQYABFASA-N 0 1 382.432 1.089 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCCC[C@H]2NC(=O)c2nc[nH]n2)n1 ZINC001571212162 953084976 /nfs/dbraw/zinc/08/49/76/953084976.db2.gz KFYQGQUFTPRGNE-WCQYABFASA-N 0 1 382.432 1.089 20 0 GDADMN Cc1nc(NC[C@H]2CCCC[C@@H]2NC(=O)c2ncn[nH]2)ccc1-c1nn[nH]n1 ZINC001571214146 953101081 /nfs/dbraw/zinc/10/10/81/953101081.db2.gz YNYGFYXHBTVRKS-YPMHNXCESA-N 0 1 382.432 1.089 20 0 GDADMN Cc1nc(NC[C@H]2CCCC[C@@H]2NC(=O)c2nc[nH]n2)ccc1-c1nn[nH]n1 ZINC001571214146 953101085 /nfs/dbraw/zinc/10/10/85/953101085.db2.gz YNYGFYXHBTVRKS-YPMHNXCESA-N 0 1 382.432 1.089 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571214339 953101782 /nfs/dbraw/zinc/10/17/82/953101782.db2.gz XRTAHDUGCJZTAQ-QEJZJMRPSA-N 0 1 382.472 1.378 20 0 GDADMN O=C(NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571216725 953103873 /nfs/dbraw/zinc/10/38/73/953103873.db2.gz ADBUOARLXKJTAY-SOUVJXGZSA-N 0 1 382.472 1.568 20 0 GDADMN O=C([C@@H]1CC2CCC1CC2)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571216892 953104981 /nfs/dbraw/zinc/10/49/81/953104981.db2.gz BNPVZUVKGSJWJF-YMAMQOFZSA-N 0 1 382.472 1.522 20 0 GDADMN O=S(=O)(c1cccc(-c2nn[nH]n2)c1Cl)N1CC[C@@H](N2CCCC2)C1 ZINC001571217665 953110338 /nfs/dbraw/zinc/11/03/38/953110338.db2.gz HOQGUZXCGPYGFP-LLVKDONJSA-N 0 1 382.877 1.379 20 0 GDADMN O=C(CC1CCC1)N1CCC2(C1)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571217965 953111795 /nfs/dbraw/zinc/11/17/95/953111795.db2.gz JOBYVCHLIXXTFQ-UHFFFAOYSA-N 0 1 382.472 1.666 20 0 GDADMN O=C(C1CCC2(CC2)CC1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571218490 953115838 /nfs/dbraw/zinc/11/58/38/953115838.db2.gz PFDBBPJOBFAJEC-AWEZNQCLSA-N 0 1 382.472 1.452 20 0 GDADMN C[C@](O)(CN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1)c1ccc(F)cc1 ZINC001571230105 953173713 /nfs/dbraw/zinc/17/37/13/953173713.db2.gz RVLADTCATXJPHN-IBGZPJMESA-N 0 1 383.431 1.431 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1nc(-c2nn[nH]n2)c(Cl)s1)[C@H]1CCCO1 ZINC001571234515 953202783 /nfs/dbraw/zinc/20/27/83/953202783.db2.gz ANPCAWNWFMQLIF-DTWKUNHWSA-N 0 1 383.865 1.241 20 0 GDADMN CC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1NCc1ncc(C)o1 ZINC001571243162 953263428 /nfs/dbraw/zinc/26/34/28/953263428.db2.gz XQUIVCGMZDVVSQ-JSGCOSHPSA-N 0 1 384.444 1.522 20 0 GDADMN Cc1nc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)sc1C ZINC001571244737 953266836 /nfs/dbraw/zinc/26/68/36/953266836.db2.gz GYHPMMZQAYOJRP-LBPRGKRZSA-N 0 1 384.469 1.591 20 0 GDADMN Cc1cc(C(=O)N2CCC(CNc3ccncc3-c3nn[nH]n3)CC2)ns1 ZINC001571245256 953271540 /nfs/dbraw/zinc/27/15/40/953271540.db2.gz QPYGMHFHEKYVJQ-UHFFFAOYSA-N 0 1 384.469 1.413 20 0 GDADMN 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O=C([O-])N[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000834179904 605914347 /nfs/dbraw/zinc/91/43/47/605914347.db2.gz BYZNGTPSHNZJHI-DLBZAZTESA-N 0 1 376.457 1.195 20 0 GDADMN COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])C1 ZINC000833724638 605923440 /nfs/dbraw/zinc/92/34/40/605923440.db2.gz QGGDTIZNRSVUKC-CQSZACIVSA-N 0 1 377.441 1.284 20 0 GDADMN Cn1cnc2cc(C[N@H+]3CCC[C@H](C(=O)N4CCN(C(=O)[O-])CC4)C3)ccc21 ZINC000833959460 605990007 /nfs/dbraw/zinc/99/00/07/605990007.db2.gz VEHQLMQCMDTQIP-INIZCTEOSA-N 0 1 385.468 1.608 20 0 GDADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000834029493 605996202 /nfs/dbraw/zinc/99/62/02/605996202.db2.gz UILQQICCJXIMPL-DOTOQJQBSA-N 0 1 385.468 1.805 20 0 GDADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4ccc(F)cc4F)C3=O)C[C@H]21 ZINC000834191429 606071502 /nfs/dbraw/zinc/07/15/02/606071502.db2.gz ZOVZEIXHRULIPX-MWKWWEEBSA-N 0 1 393.390 1.965 20 0 GDADMN CO[C@H](C)c1noc(CN2CCCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000821675970 606115933 /nfs/dbraw/zinc/11/59/33/606115933.db2.gz XXUSSWSHNLDCPY-CQSZACIVSA-N 0 1 398.471 1.665 20 0 GDADMN CC(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[NH+]1CCC(C)CC1 ZINC000820723219 606159416 /nfs/dbraw/zinc/15/94/16/606159416.db2.gz XRRQPFYZEZKHJZ-AWEZNQCLSA-N 0 1 375.481 1.478 20 0 GDADMN CC(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[NH+]1CCC(C)CC1 ZINC000820723219 606159418 /nfs/dbraw/zinc/15/94/18/606159418.db2.gz XRRQPFYZEZKHJZ-AWEZNQCLSA-N 0 1 375.481 1.478 20 0 GDADMN Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822304432 606161182 /nfs/dbraw/zinc/16/11/82/606161182.db2.gz XPSYFDGACVOQSJ-UHFFFAOYSA-N 0 1 383.460 1.504 20 0 GDADMN Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000822304432 606161183 /nfs/dbraw/zinc/16/11/83/606161183.db2.gz XPSYFDGACVOQSJ-UHFFFAOYSA-N 0 1 383.460 1.504 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820759188 606163513 /nfs/dbraw/zinc/16/35/13/606163513.db2.gz IRSWSCIKFNNMAD-CQSZACIVSA-N 0 1 395.471 1.729 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820759188 606163515 /nfs/dbraw/zinc/16/35/15/606163515.db2.gz IRSWSCIKFNNMAD-CQSZACIVSA-N 0 1 395.471 1.729 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000821614620 606172969 /nfs/dbraw/zinc/17/29/69/606172969.db2.gz NLEJMINVGLZFOO-AWEZNQCLSA-N 0 1 381.444 1.338 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000821614620 606172970 /nfs/dbraw/zinc/17/29/70/606172970.db2.gz NLEJMINVGLZFOO-AWEZNQCLSA-N 0 1 381.444 1.338 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000821614620 606172971 /nfs/dbraw/zinc/17/29/71/606172971.db2.gz NLEJMINVGLZFOO-AWEZNQCLSA-N 0 1 381.444 1.338 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000821614620 606172972 /nfs/dbraw/zinc/17/29/72/606172972.db2.gz NLEJMINVGLZFOO-AWEZNQCLSA-N 0 1 381.444 1.338 20 0 GDADMN CN1CCC[C@@H]1[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821625308 606188295 /nfs/dbraw/zinc/18/82/95/606188295.db2.gz KSEKWTBAIJGWCK-SJORKVTESA-N 0 1 390.513 1.199 20 0 GDADMN COC(=O)[C@H](C)[C@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821638653 606195294 /nfs/dbraw/zinc/19/52/94/606195294.db2.gz FEKKEIOKDKOGFL-ACJLOTCBSA-N 0 1 394.435 1.945 20 0 GDADMN O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573282 606202619 /nfs/dbraw/zinc/20/26/19/606202619.db2.gz TYBLAGMTONDGJC-UHFFFAOYSA-N 0 1 391.501 1.337 20 0 GDADMN O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573282 606202620 /nfs/dbraw/zinc/20/26/20/606202620.db2.gz TYBLAGMTONDGJC-UHFFFAOYSA-N 0 1 391.501 1.337 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2cnc3n[nH]c(C)c3c2)cc1-c1nn[nH]n1 ZINC000821979812 606262212 /nfs/dbraw/zinc/26/22/12/606262212.db2.gz YMEZBOCVGHTZTB-UHFFFAOYSA-N 0 1 383.397 1.521 20 0 GDADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000823294924 606293323 /nfs/dbraw/zinc/29/33/23/606293323.db2.gz XWRCVFJARYSPTF-HNNXBMFYSA-N 0 1 379.424 1.818 20 0 GDADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000823294924 606293324 /nfs/dbraw/zinc/29/33/24/606293324.db2.gz XWRCVFJARYSPTF-HNNXBMFYSA-N 0 1 379.424 1.818 20 0 GDADMN CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820044540 606308919 /nfs/dbraw/zinc/30/89/19/606308919.db2.gz HBEBQPQFLORDPD-XBFCOCLRSA-N 0 1 376.486 1.684 20 0 GDADMN CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821636453 606411647 /nfs/dbraw/zinc/41/16/47/606411647.db2.gz QZMSRMDQEFTVPS-UHFFFAOYSA-N 0 1 378.483 1.267 20 0 GDADMN CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821636453 606411649 /nfs/dbraw/zinc/41/16/49/606411649.db2.gz QZMSRMDQEFTVPS-UHFFFAOYSA-N 0 1 378.483 1.267 20 0 GDADMN COc1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000821859724 606554095 /nfs/dbraw/zinc/55/40/95/606554095.db2.gz RZPGDCGGMZKJKY-UHFFFAOYSA-N 0 1 396.411 1.098 20 0 GDADMN CC[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C[C@@H](C)O ZINC000820988282 606596741 /nfs/dbraw/zinc/59/67/41/606596741.db2.gz DSHIDGQBVLSBHI-DGCLKSJQSA-N 0 1 377.424 1.315 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1OCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000822135952 606615070 /nfs/dbraw/zinc/61/50/70/606615070.db2.gz HHSOKKQSKNHPIH-MRXNPFEDSA-N 0 1 388.472 1.027 20 0 GDADMN C[C@]1(CNC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCO1 ZINC000820612895 606673440 /nfs/dbraw/zinc/67/34/40/606673440.db2.gz MTNBNGLYXRGTTK-HXUWFJFHSA-N 0 1 399.499 1.653 20 0 GDADMN CCCc1nc([C@@H]2CN(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000821142721 606695698 /nfs/dbraw/zinc/69/56/98/606695698.db2.gz MUZKYKICHCOXFA-ZDUSSCGKSA-N 0 1 383.416 1.543 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CCO2)n1 ZINC000821142721 606695699 /nfs/dbraw/zinc/69/56/99/606695699.db2.gz MUZKYKICHCOXFA-ZDUSSCGKSA-N 0 1 383.416 1.543 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000820316612 606699617 /nfs/dbraw/zinc/69/96/17/606699617.db2.gz WAPBGZMDWDTNPF-QWHCGFSZSA-N 0 1 397.487 1.302 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000820316612 606699619 /nfs/dbraw/zinc/69/96/19/606699619.db2.gz WAPBGZMDWDTNPF-QWHCGFSZSA-N 0 1 397.487 1.302 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(-n2cccn2)cc1 ZINC000821601448 606702383 /nfs/dbraw/zinc/70/23/83/606702383.db2.gz HRVYMPNWAMUQFZ-UHFFFAOYSA-N 0 1 378.444 1.422 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(-n2cccn2)cc1 ZINC000821601448 606702384 /nfs/dbraw/zinc/70/23/84/606702384.db2.gz HRVYMPNWAMUQFZ-UHFFFAOYSA-N 0 1 378.444 1.422 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(-n2cccn2)cc1 ZINC000821601448 606702385 /nfs/dbraw/zinc/70/23/85/606702385.db2.gz HRVYMPNWAMUQFZ-UHFFFAOYSA-N 0 1 378.444 1.422 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(-n2cccn2)cc1 ZINC000821601448 606702386 /nfs/dbraw/zinc/70/23/86/606702386.db2.gz HRVYMPNWAMUQFZ-UHFFFAOYSA-N 0 1 378.444 1.422 20 0 GDADMN CC(C)[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820038066 606705511 /nfs/dbraw/zinc/70/55/11/606705511.db2.gz JVLDBFLSDBZBSZ-LIRRHRJNSA-N 0 1 383.456 1.569 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1-c1nn[nH]n1 ZINC000821976798 606769087 /nfs/dbraw/zinc/76/90/87/606769087.db2.gz DGGWDGXJIYAVRM-FXAINCCUSA-N 0 1 376.442 1.377 20 0 GDADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@@]2(CCOC2)C1 ZINC000819876350 606771560 /nfs/dbraw/zinc/77/15/60/606771560.db2.gz FZMJXHBKYYKGRG-ADLMAVQZSA-N 0 1 388.497 1.856 20 0 GDADMN O=S(=O)(N[C@@H]1COc2ccccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572891 606889249 /nfs/dbraw/zinc/88/92/49/606889249.db2.gz ONJNWINUUZAQNQ-GFCCVEGCSA-N 0 1 379.348 1.557 20 0 GDADMN Cc1csc([C@H](C)NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)n1 ZINC000822409770 606891162 /nfs/dbraw/zinc/89/11/62/606891162.db2.gz VAUVUNCZAXRJOH-ZETCQYMHSA-N 0 1 386.409 1.949 20 0 GDADMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820803589 606891765 /nfs/dbraw/zinc/89/17/65/606891765.db2.gz CQXSUKGAWAWQNW-ONGXEEELSA-N 0 1 384.412 1.002 20 0 GDADMN CC[C@](C)(CC(=O)OC)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820854649 606893533 /nfs/dbraw/zinc/89/35/33/606893533.db2.gz XJUVLHGENRZCRI-CQSZACIVSA-N 0 1 389.384 1.155 20 0 GDADMN CS[C@@H]1CC[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821948192 606894099 /nfs/dbraw/zinc/89/40/99/606894099.db2.gz ATILCZUIUNRZTE-RKDXNWHRSA-N 0 1 375.426 1.707 20 0 GDADMN N=C(NOCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1COc2ccccc2O1 ZINC000822846289 606982874 /nfs/dbraw/zinc/98/28/74/606982874.db2.gz UNHDRSBXWICKMZ-OAHLLOKOSA-N 0 1 395.379 1.144 20 0 GDADMN CCc1nc([C@@H]2CN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000821504840 607027530 /nfs/dbraw/zinc/02/75/30/607027530.db2.gz LNSNLBQDLUBYKI-VIFPVBQESA-N 0 1 395.349 1.539 20 0 GDADMN Nn1c(Sc2c3ccccc3nnc2-c2nn[nH]n2)nnc1-c1cccs1 ZINC000822912120 607028156 /nfs/dbraw/zinc/02/81/56/607028156.db2.gz NJYNPGZIDHPAEB-UHFFFAOYSA-N 0 1 394.449 1.995 20 0 GDADMN CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC000821182179 607048943 /nfs/dbraw/zinc/04/89/43/607048943.db2.gz SEDYSVQEFGPHLV-ZDUSSCGKSA-N 0 1 381.506 1.297 20 0 GDADMN CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC000821182179 607048945 /nfs/dbraw/zinc/04/89/45/607048945.db2.gz SEDYSVQEFGPHLV-ZDUSSCGKSA-N 0 1 381.506 1.297 20 0 GDADMN CCc1nc([C@@H]2CN(C(=O)Nc3ccc(F)c(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000821504696 607068258 /nfs/dbraw/zinc/06/82/58/607068258.db2.gz ISTUEPIOZWIPPG-LBPRGKRZSA-N 0 1 387.379 1.292 20 0 GDADMN O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000823359238 607096151 /nfs/dbraw/zinc/09/61/51/607096151.db2.gz KYQUDPTYYYBHPC-UHFFFAOYSA-N 0 1 383.456 1.282 20 0 GDADMN CCOC(=O)[C@]1(CCn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)CCCC1=O ZINC000821320110 607165848 /nfs/dbraw/zinc/16/58/48/607165848.db2.gz KMJUZXJNCZPIGR-FQEVSTJZSA-N 0 1 395.419 1.874 20 0 GDADMN Cc1nc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)cs1 ZINC000822419795 607205961 /nfs/dbraw/zinc/20/59/61/607205961.db2.gz WETUSUYUNFCANJ-UHFFFAOYSA-N 0 1 381.425 1.207 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000823136007 607206492 /nfs/dbraw/zinc/20/64/92/607206492.db2.gz FMNZCPQOBQIHLX-UHFFFAOYSA-N 0 1 396.440 1.307 20 0 GDADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820704314 607208092 /nfs/dbraw/zinc/20/80/92/607208092.db2.gz NNRQMICZKNQTMK-AWEZNQCLSA-N 0 1 395.471 1.149 20 0 GDADMN C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820704314 607208093 /nfs/dbraw/zinc/20/80/93/607208093.db2.gz NNRQMICZKNQTMK-AWEZNQCLSA-N 0 1 395.471 1.149 20 0 GDADMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820704314 607208094 /nfs/dbraw/zinc/20/80/94/607208094.db2.gz NNRQMICZKNQTMK-AWEZNQCLSA-N 0 1 395.471 1.149 20 0 GDADMN Cc1ccc(Oc2ccccc2CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822267012 607215438 /nfs/dbraw/zinc/21/54/38/607215438.db2.gz LXVUWJBRCVOYHN-UHFFFAOYSA-N 0 1 390.407 1.875 20 0 GDADMN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821678237 607218112 /nfs/dbraw/zinc/21/81/12/607218112.db2.gz LNDXBMPTTNOQKP-NOZJJQNGSA-N 0 1 376.808 1.004 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000823136219 607223461 /nfs/dbraw/zinc/22/34/61/607223461.db2.gz OXFQGDDANZTWRW-UHFFFAOYSA-N 0 1 378.356 1.024 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000823132025 607236041 /nfs/dbraw/zinc/23/60/41/607236041.db2.gz VXYFBQPIOCVWAP-UHFFFAOYSA-N 0 1 386.379 1.412 20 0 GDADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Oc1ccc(-c2nn[nH]n2)cc1F ZINC000822458602 607245420 /nfs/dbraw/zinc/24/54/20/607245420.db2.gz FLNKSCMFVAUYGN-UHFFFAOYSA-N 0 1 383.343 1.519 20 0 GDADMN CCN1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@H]1C ZINC000825458701 607831579 /nfs/dbraw/zinc/83/15/79/607831579.db2.gz DIUFYSPHJWVHKH-VXGBXAGGSA-N 0 1 389.529 1.770 20 0 GDADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)C[C@@H]1CCC[C@H]1O ZINC000824045163 607859689 /nfs/dbraw/zinc/85/96/89/607859689.db2.gz HPJKCIVLOXJCMI-JRPNMDOOSA-N 0 1 378.864 1.940 20 0 GDADMN CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826028496 607982825 /nfs/dbraw/zinc/98/28/25/607982825.db2.gz BJLPTBXXWDMPSP-IAGOWNOFSA-N 0 1 391.435 1.367 20 0 GDADMN CC1CCN(CCNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000824957024 608002111 /nfs/dbraw/zinc/00/21/11/608002111.db2.gz VWNOVNOEFFFZTM-UHFFFAOYSA-N 0 1 382.465 1.157 20 0 GDADMN CCOCCC1(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)CCC1 ZINC000825589351 608019236 /nfs/dbraw/zinc/01/92/36/608019236.db2.gz FHDUJZZRVIFXNN-UHFFFAOYSA-N 0 1 376.465 1.277 20 0 GDADMN CCOCCC1(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)CCC1 ZINC000825589351 608019237 /nfs/dbraw/zinc/01/92/37/608019237.db2.gz FHDUJZZRVIFXNN-UHFFFAOYSA-N 0 1 376.465 1.277 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077654 608020496 /nfs/dbraw/zinc/02/04/96/608020496.db2.gz PMKLAJVTFDBWQV-ZDUSSCGKSA-N 0 1 380.456 1.800 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077654 608020497 /nfs/dbraw/zinc/02/04/97/608020497.db2.gz PMKLAJVTFDBWQV-ZDUSSCGKSA-N 0 1 380.456 1.800 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(C(C)C)s2)c1-c1nnn[n-]1 ZINC000826083585 608020956 /nfs/dbraw/zinc/02/09/56/608020956.db2.gz NPTGBWNGLXEXND-UHFFFAOYSA-N 0 1 375.462 1.574 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(C(C)C)s2)c1-c1nn[n-]n1 ZINC000826083585 608020957 /nfs/dbraw/zinc/02/09/57/608020957.db2.gz NPTGBWNGLXEXND-UHFFFAOYSA-N 0 1 375.462 1.574 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2OC)c1-c1nnn[n-]1 ZINC000826077162 608021386 /nfs/dbraw/zinc/02/13/86/608021386.db2.gz BSVYSYPQASMXSD-LBPRGKRZSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000826077162 608021387 /nfs/dbraw/zinc/02/13/87/608021387.db2.gz BSVYSYPQASMXSD-LBPRGKRZSA-N 0 1 398.471 1.883 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1-c1nn[nH]n1 ZINC000826229844 608033064 /nfs/dbraw/zinc/03/30/64/608033064.db2.gz UAEYMYUVAOSPEH-CYBMUJFWSA-N 0 1 383.437 1.965 20 0 GDADMN Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307874 608036424 /nfs/dbraw/zinc/03/64/24/608036424.db2.gz ZONJEHQSDCTFME-CYBMUJFWSA-N 0 1 397.487 1.050 20 0 GDADMN Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307874 608036425 /nfs/dbraw/zinc/03/64/25/608036425.db2.gz ZONJEHQSDCTFME-CYBMUJFWSA-N 0 1 397.487 1.050 20 0 GDADMN C[C@]1(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO[C@H]1C1CC1 ZINC000824838513 608128319 /nfs/dbraw/zinc/12/83/19/608128319.db2.gz RBJCGRYGROLZJC-ZFWWWQNUSA-N 0 1 385.396 1.381 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](CCO)C2CCCCC2)cc1-c1nn[nH]n1 ZINC000826229658 608204726 /nfs/dbraw/zinc/20/47/26/608204726.db2.gz MKLLFVVHSRAHRM-CYBMUJFWSA-N 0 1 392.485 1.750 20 0 GDADMN CCC1(O)CCC(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000825176554 608246886 /nfs/dbraw/zinc/24/68/86/608246886.db2.gz XQIQOTXHHQWSRX-UHFFFAOYSA-N 0 1 387.412 1.507 20 0 GDADMN O=Cc1[nH]nc2cc(C(=O)OCC(=O)c3ccc(-c4nn[nH]n4)cc3)ccc12 ZINC000826484215 608255043 /nfs/dbraw/zinc/25/50/43/608255043.db2.gz SJOVVNSTIQKOAS-UHFFFAOYSA-N 0 1 376.332 1.595 20 0 GDADMN C[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C[C@H]1C ZINC000824954864 608268940 /nfs/dbraw/zinc/26/89/40/608268940.db2.gz LLLCSAXEEGYNOQ-ZIAGYGMSSA-N 0 1 383.456 1.566 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2Cn2cncn2)c1-c1nn[n-]n1 ZINC000826332180 608312087 /nfs/dbraw/zinc/31/20/87/608312087.db2.gz MASAHTLDWVHFCA-MRXNPFEDSA-N 0 1 390.455 1.617 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2Cn2cncn2)c1-c1nn[n-]n1 ZINC000826332180 608312088 /nfs/dbraw/zinc/31/20/88/608312088.db2.gz MASAHTLDWVHFCA-MRXNPFEDSA-N 0 1 390.455 1.617 20 0 GDADMN CCOC(=O)C[C@H](O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000825506455 608329866 /nfs/dbraw/zinc/32/98/66/608329866.db2.gz KISWFNXWEPDXLP-JTQLQIEISA-N 0 1 377.788 1.149 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(OC)c(C)c2)c1-c1nnn[n-]1 ZINC000826077430 608355170 /nfs/dbraw/zinc/35/51/70/608355170.db2.gz HVNMCWRPILTYLM-UHFFFAOYSA-N 0 1 384.444 1.620 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(OC)c(C)c2)c1-c1nn[n-]n1 ZINC000826077430 608355171 /nfs/dbraw/zinc/35/51/71/608355171.db2.gz HVNMCWRPILTYLM-UHFFFAOYSA-N 0 1 384.444 1.620 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN(C)[C@H]1CCCN(Cc2noc(C)n2)C1 ZINC000826167980 608358183 /nfs/dbraw/zinc/35/81/83/608358183.db2.gz YDSYKDHOAUAYMA-INIZCTEOSA-N 0 1 398.471 1.663 20 0 GDADMN C[C@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562350 608466604 /nfs/dbraw/zinc/46/66/04/608466604.db2.gz GACJFLAFDUROQP-JTQLQIEISA-N 0 1 380.368 1.799 20 0 GDADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825565741 608485381 /nfs/dbraw/zinc/48/53/81/608485381.db2.gz XZSSRDQOHHDTMR-LLVKDONJSA-N 0 1 398.427 1.066 20 0 GDADMN O=C(C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1)N1CCCCC1 ZINC000826399446 608502858 /nfs/dbraw/zinc/50/28/58/608502858.db2.gz WAERJQFKIUUIRI-UHFFFAOYSA-N 0 1 394.483 1.739 20 0 GDADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccc2c(c1)OCO2 ZINC000826412583 608531795 /nfs/dbraw/zinc/53/17/95/608531795.db2.gz UNJKXIQKYLVYJS-UHFFFAOYSA-N 0 1 378.392 1.813 20 0 GDADMN CC(C)Cn1ccnc1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824280390 608564864 /nfs/dbraw/zinc/56/48/64/608564864.db2.gz LVCGDIYHIOZODX-UHFFFAOYSA-N 0 1 397.411 1.476 20 0 GDADMN C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@@H]1O ZINC000824984384 608586985 /nfs/dbraw/zinc/58/69/85/608586985.db2.gz JICCMRTYVBUESH-JQWIXIFHSA-N 0 1 376.486 1.448 20 0 GDADMN C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@@H]1O ZINC000824984384 608586986 /nfs/dbraw/zinc/58/69/86/608586986.db2.gz JICCMRTYVBUESH-JQWIXIFHSA-N 0 1 376.486 1.448 20 0 GDADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000826518766 608656670 /nfs/dbraw/zinc/65/66/70/608656670.db2.gz XEHJJVYRBAGAJA-KRWDZBQOSA-N 0 1 383.456 1.674 20 0 GDADMN Cc1nc(C[C@H]2CCCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)no1 ZINC000826325486 608664691 /nfs/dbraw/zinc/66/46/91/608664691.db2.gz ZHTWJIHRWYMYIR-CYBMUJFWSA-N 0 1 379.428 1.661 20 0 GDADMN Cc1ccc([C@H](CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)N2CCCC2)o1 ZINC000826283873 609219858 /nfs/dbraw/zinc/21/98/58/609219858.db2.gz DAYJAWSIVWROGZ-WMZOPIPTSA-N 0 1 396.451 1.755 20 0 GDADMN Cc1ncc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c(C)n1 ZINC000826329421 609255139 /nfs/dbraw/zinc/25/51/39/609255139.db2.gz CJKYYEWUIHLOSU-UHFFFAOYSA-N 0 1 395.427 1.101 20 0 GDADMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824906116 609264917 /nfs/dbraw/zinc/26/49/17/609264917.db2.gz ABFRZMKPAVOZGK-VBQJREDUSA-N 0 1 397.483 1.351 20 0 GDADMN O=C([C@H]1CCC=CO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826399369 609297290 /nfs/dbraw/zinc/29/72/90/609297290.db2.gz UGJUXFOKOJZRRQ-CYBMUJFWSA-N 0 1 397.395 1.456 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)CC(=O)c2ccco2)cc1-c1nn[nH]n1 ZINC000826229979 609301539 /nfs/dbraw/zinc/30/15/39/609301539.db2.gz YZVGSOXMPJABMH-MRVPVSSYSA-N 0 1 388.409 1.674 20 0 GDADMN C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC000824893950 609358144 /nfs/dbraw/zinc/35/81/44/609358144.db2.gz VZDJIYMHJGGGGB-NWDGAFQWSA-N 0 1 399.434 1.796 20 0 GDADMN C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC[N@H+]1C ZINC000824893950 609358146 /nfs/dbraw/zinc/35/81/46/609358146.db2.gz VZDJIYMHJGGGGB-NWDGAFQWSA-N 0 1 399.434 1.796 20 0 GDADMN C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1[NH+](C)C ZINC000824977285 609358199 /nfs/dbraw/zinc/35/81/99/609358199.db2.gz PZTYTDGQCVWCIB-SMDDNHRTSA-N 0 1 399.434 1.605 20 0 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CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298519 946218304 /nfs/dbraw/zinc/21/83/04/946218304.db2.gz ABUJFRNBHBHFCI-CHWSQXEVSA-N 0 1 390.517 1.201 20 0 GDADMN O=C(c1cccc(C2CC2)c1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571299606 946257375 /nfs/dbraw/zinc/25/73/75/946257375.db2.gz YJVWQANWGQWIIW-INIZCTEOSA-N 0 1 390.451 1.673 20 0 GDADMN O=C(c1cc(Cl)cs1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571299658 946257783 /nfs/dbraw/zinc/25/77/83/946257783.db2.gz OFFIRNATMHAGLV-SNVBAGLBSA-N 0 1 390.860 1.510 20 0 GDADMN Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299685 946258417 /nfs/dbraw/zinc/25/84/17/946258417.db2.gz ONQMXJRSERFUJH-JHJVBQTASA-N 0 1 390.517 1.057 20 0 GDADMN Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299685 946258428 /nfs/dbraw/zinc/25/84/28/946258428.db2.gz ONQMXJRSERFUJH-JHJVBQTASA-N 0 1 390.517 1.057 20 0 GDADMN CO[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001571299924 946266676 /nfs/dbraw/zinc/26/66/76/946266676.db2.gz RFOQEFGQRFVJQZ-CZUORRHYSA-N 0 1 390.513 1.824 20 0 GDADMN CO[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001571299924 946266688 /nfs/dbraw/zinc/26/66/88/946266688.db2.gz RFOQEFGQRFVJQZ-CZUORRHYSA-N 0 1 390.513 1.824 20 0 GDADMN Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571299996 946268602 /nfs/dbraw/zinc/26/86/02/946268602.db2.gz XSXZDDAKEBNTCR-HRCADAONSA-N 0 1 390.451 1.464 20 0 GDADMN O=C(c1cnns1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571300128 946271736 /nfs/dbraw/zinc/27/17/36/946271736.db2.gz VOHFFNAMNXXHOK-SNVBAGLBSA-N 0 1 390.498 1.422 20 0 GDADMN O=C(c1cnns1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571300128 946271745 /nfs/dbraw/zinc/27/17/45/946271745.db2.gz VOHFFNAMNXXHOK-SNVBAGLBSA-N 0 1 390.498 1.422 20 0 GDADMN Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1-c1nn[n-]n1 ZINC001571300253 946278405 /nfs/dbraw/zinc/27/84/05/946278405.db2.gz XWUMFLUXHSSTAU-OLZOCXBDSA-N 0 1 390.517 1.376 20 0 GDADMN Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1-c1nn[n-]n1 ZINC001571300253 946278416 /nfs/dbraw/zinc/27/84/16/946278416.db2.gz XWUMFLUXHSSTAU-OLZOCXBDSA-N 0 1 390.517 1.376 20 0 GDADMN O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571308312 946430916 /nfs/dbraw/zinc/43/09/16/946430916.db2.gz OJFWMQBMNILYQB-NEPJUHHUSA-N 0 1 392.414 1.307 20 0 GDADMN CC(F)(F)C1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571308560 946436414 /nfs/dbraw/zinc/43/64/14/946436414.db2.gz QYLRXGOLUBNSEG-LLVKDONJSA-N 0 1 392.414 1.165 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571309418 946444441 /nfs/dbraw/zinc/44/44/41/946444441.db2.gz ZNMUHWGHVXZQPV-NEPJUHHUSA-N 0 1 392.414 1.519 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000325665986 971235033 /nfs/dbraw/zinc/23/50/33/971235033.db2.gz ISRWOFKMMHPTQV-LLVKDONJSA-N 0 1 376.862 1.762 20 0 GDADMN CN(C)c1cc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)ccn1 ZINC001571312723 946500717 /nfs/dbraw/zinc/50/07/17/946500717.db2.gz BVOMSNDFELJMNP-KRWDZBQOSA-N 0 1 392.467 1.332 20 0 GDADMN Cc1cc(N[C@@H]2CCC[C@H]3CN(C(=O)c4cc[nH]c4)C[C@@H]32)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314734 946541709 /nfs/dbraw/zinc/54/17/09/946541709.db2.gz BSDXTAZQTNBWFW-BHYGNILZSA-N 0 1 392.467 1.673 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](C)N(C(=O)c3ccc(C)c(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314900 946544125 /nfs/dbraw/zinc/54/41/25/946544125.db2.gz DABSOOCBOSEOSG-ZFWWWQNUSA-N 0 1 392.467 1.719 20 0 GDADMN Cc1ccc(C)c(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571314902 946545653 /nfs/dbraw/zinc/54/56/53/946545653.db2.gz DDAXUVPWVMEFDP-CABCVRRESA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cc(NC[C@@H]2CCN(C(=O)CCc3ccncc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314971 946548542 /nfs/dbraw/zinc/54/85/42/946548542.db2.gz FTRIHNXQSQSQIJ-INIZCTEOSA-N 0 1 392.467 1.280 20 0 GDADMN Cc1cc(C)cc(CC(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315799 946558533 /nfs/dbraw/zinc/55/85/33/946558533.db2.gz OIKJIGMYVISETK-INIZCTEOSA-N 0 1 392.467 1.553 20 0 GDADMN C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571317475 946612049 /nfs/dbraw/zinc/61/20/49/946612049.db2.gz JGCMIDDRQLKRCW-OLZOCXBDSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571317475 946612053 /nfs/dbraw/zinc/61/20/53/946612053.db2.gz JGCMIDDRQLKRCW-OLZOCXBDSA-N 0 1 392.529 1.663 20 0 GDADMN Brc1ccc(-c2nn[nH]n2)c(N2CC(CN3CCOCC3)C2)c1 ZINC001573279070 946630463 /nfs/dbraw/zinc/63/04/63/946630463.db2.gz DQLBGBLXKBHMIA-UHFFFAOYSA-N 0 1 379.262 1.398 20 0 GDADMN C[C@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824563845 946800955 /nfs/dbraw/zinc/80/09/55/946800955.db2.gz QRAZZEKNXILKIV-CFJPQMKISA-N 0 1 398.492 1.571 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573585620 947263361 /nfs/dbraw/zinc/26/33/61/947263361.db2.gz HGVDQVLFAXHHDL-STQMWFEESA-N 0 1 383.431 1.885 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585869 947270732 /nfs/dbraw/zinc/27/07/32/947270732.db2.gz JADHCCHPSQFFGO-RYUDHWBXSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585869 947270744 /nfs/dbraw/zinc/27/07/44/947270744.db2.gz JADHCCHPSQFFGO-RYUDHWBXSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573593355 947368787 /nfs/dbraw/zinc/36/87/87/947368787.db2.gz RWQDQEJUHUFZNJ-NEPJUHHUSA-N 0 1 384.469 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2COC)c1-c1nnn[n-]1 ZINC000826084024 947424587 /nfs/dbraw/zinc/42/45/87/947424587.db2.gz UEMUBVXNRLQYLZ-UHFFFAOYSA-N 0 1 376.446 1.202 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2COC)c1-c1nn[n-]n1 ZINC000826084024 947424593 /nfs/dbraw/zinc/42/45/93/947424593.db2.gz UEMUBVXNRLQYLZ-UHFFFAOYSA-N 0 1 376.446 1.202 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573598295 947441791 /nfs/dbraw/zinc/44/17/91/947441791.db2.gz PQYAMLAVEGFATN-YOEHRIQHSA-N 0 1 380.456 1.357 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccc1 ZINC001573604431 947510571 /nfs/dbraw/zinc/51/05/71/947510571.db2.gz TWZLFAJACHQUOR-AWEZNQCLSA-N 0 1 385.447 1.959 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573614204 947580886 /nfs/dbraw/zinc/58/08/86/947580886.db2.gz DAHLTJCSDMSBKR-KGLIPLIRSA-N 0 1 381.444 1.004 20 0 GDADMN C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573616079 947617995 /nfs/dbraw/zinc/61/79/95/947617995.db2.gz LLJVELORUANQGS-SNVBAGLBSA-N 0 1 380.403 1.020 20 0 GDADMN C=Cc1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001573352244 947631109 /nfs/dbraw/zinc/63/11/09/947631109.db2.gz ZODHKDWSAJQGMG-UHFFFAOYSA-N 0 1 390.451 1.686 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573617807 947641320 /nfs/dbraw/zinc/64/13/20/947641320.db2.gz NCEBWQHCSHNRPG-CZUORRHYSA-N 0 1 383.431 1.759 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573358911 947675035 /nfs/dbraw/zinc/67/50/35/947675035.db2.gz MGYACONSEJRABR-OAHLLOKOSA-N 0 1 376.424 1.699 20 0 GDADMN C/C(=C/C(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C1CC1 ZINC001573364968 947728320 /nfs/dbraw/zinc/72/83/20/947728320.db2.gz RZQITYKDQDQBRZ-LOJRPPCJSA-N 0 1 381.484 1.999 20 0 GDADMN Cc1cc2c[nH]nc2c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c1 ZINC000826256832 947741593 /nfs/dbraw/zinc/74/15/93/947741593.db2.gz BSALMNQOPKEEMI-UHFFFAOYSA-N 0 1 380.416 1.062 20 0 GDADMN C[C@@H](C(=O)N1CCC2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1)C1CC1 ZINC001573628600 947759128 /nfs/dbraw/zinc/75/91/28/947759128.db2.gz IZPBLJQYHYSNQR-CYBMUJFWSA-N 0 1 382.472 1.522 20 0 GDADMN CC(=O)CCCC(=O)N1CC2(C1)CCN(Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001573367577 947761516 /nfs/dbraw/zinc/76/15/16/947761516.db2.gz FHTBWUSTHITHBB-UHFFFAOYSA-N 0 1 382.468 1.660 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1)C(C)(F)F ZINC001573629010 947769535 /nfs/dbraw/zinc/76/95/35/947769535.db2.gz QDRXXTNZZGYFFV-NEPJUHHUSA-N 0 1 379.415 1.980 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573372935 947787239 /nfs/dbraw/zinc/78/72/39/947787239.db2.gz GDDDJYFDIUZAFG-HNNXBMFYSA-N 0 1 385.472 1.544 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573630560 947792434 /nfs/dbraw/zinc/79/24/34/947792434.db2.gz YQSGKKPIVQIEJO-NWANDNLSSA-N 0 1 382.472 1.663 20 0 GDADMN CC(=O)CCCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCCC1 ZINC001573373507 947794163 /nfs/dbraw/zinc/79/41/63/947794163.db2.gz CWJWPIMUWREWIN-UHFFFAOYSA-N 0 1 385.472 1.674 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573374094 947803754 /nfs/dbraw/zinc/80/37/54/947803754.db2.gz MLMIUXGWFGJUCT-UKRRQHHQSA-N 0 1 385.472 1.339 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cccn1 ZINC001573637664 947819448 /nfs/dbraw/zinc/81/94/48/947819448.db2.gz MPOLHMQNVNKXEA-OAHLLOKOSA-N 0 1 380.456 1.359 20 0 GDADMN C[C@@H](C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573637705 947821421 /nfs/dbraw/zinc/82/14/21/947821421.db2.gz NWCHRMUXRZTMNC-HNNXBMFYSA-N 0 1 380.456 1.359 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)c1ccco1 ZINC001573647449 947894837 /nfs/dbraw/zinc/89/48/37/947894837.db2.gz LIHLLLVPZQZOES-MELADBBJSA-N 0 1 379.424 1.553 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573647498 947896461 /nfs/dbraw/zinc/89/64/61/947896461.db2.gz MYLGHOUSBOEGKQ-LALPHHSUSA-N 0 1 396.430 1.280 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573647885 947903339 /nfs/dbraw/zinc/90/33/39/947903339.db2.gz VCNGBSPAULWGLP-HZSPNIEDSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)c1ccco1 ZINC001573648296 947905888 /nfs/dbraw/zinc/90/58/88/947905888.db2.gz YJZIDQWPTMFCDA-HZSPNIEDSA-N 0 1 381.440 1.587 20 0 GDADMN C[C@@H](C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573663745 948041493 /nfs/dbraw/zinc/04/14/93/948041493.db2.gz PGPLUCRJLXYGIU-VLIAUNLRSA-N 0 1 384.484 1.356 20 0 GDADMN C[C@H](C(=O)NC1CC2(C1)CC(Nc1ccncc1-c1nn[nH]n1)C2)n1cccc1 ZINC001573664210 948052054 /nfs/dbraw/zinc/05/20/54/948052054.db2.gz CXXNSAGXEQQISS-HIXHZGSFSA-N 0 1 392.467 1.586 20 0 GDADMN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccn1 ZINC001573679029 948158879 /nfs/dbraw/zinc/15/88/79/948158879.db2.gz HQCDSPNKJOCHPS-BXUZGUMPSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccn1 ZINC001573679029 948158887 /nfs/dbraw/zinc/15/88/87/948158887.db2.gz HQCDSPNKJOCHPS-BXUZGUMPSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C(F)(F)F ZINC001573680747 948186732 /nfs/dbraw/zinc/18/67/32/948186732.db2.gz RLMWXLFGWDQNFY-DTWKUNHWSA-N 0 1 384.366 1.186 20 0 GDADMN O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000826397766 948211738 /nfs/dbraw/zinc/21/17/38/948211738.db2.gz KIYGUZFXEPNETA-IBGZPJMESA-N 0 1 392.463 1.635 20 0 GDADMN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001573681907 948216916 /nfs/dbraw/zinc/21/69/16/948216916.db2.gz YSBPBCIZORNYHL-ZYHUDNBSSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1)n1cccn1 ZINC001573692900 948274126 /nfs/dbraw/zinc/27/41/26/948274126.db2.gz SYJHIGDMHRQUMV-LBPRGKRZSA-N 0 1 386.485 1.514 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1)n1cccn1 ZINC001573692900 948274136 /nfs/dbraw/zinc/27/41/36/948274136.db2.gz SYJHIGDMHRQUMV-LBPRGKRZSA-N 0 1 386.485 1.514 20 0 GDADMN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000826429312 948279435 /nfs/dbraw/zinc/27/94/35/948279435.db2.gz ZRWBJBHKLOJBSK-UHFFFAOYSA-N 0 1 384.421 1.560 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)c1cccnc1 ZINC001573693677 948285206 /nfs/dbraw/zinc/28/52/06/948285206.db2.gz XQAGORDLTJEIDJ-CYBMUJFWSA-N 0 1 378.440 1.333 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573702548 948347285 /nfs/dbraw/zinc/34/72/85/948347285.db2.gz FDBZRDWGZCVOCY-OLZOCXBDSA-N 0 1 382.428 1.386 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573704322 948370486 /nfs/dbraw/zinc/37/04/86/948370486.db2.gz APHXEZBACHLAOO-NWDGAFQWSA-N 0 1 384.469 1.464 20 0 GDADMN O=C1[C@H](N2CCC(c3cc[nH]n3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476523 948380809 /nfs/dbraw/zinc/38/08/09/948380809.db2.gz JMEWMUXNEIBZAD-GOSISDBHSA-N 0 1 392.467 1.965 20 0 GDADMN O=C1[C@@H](N2CCC(c3cc[nH]n3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476524 948381737 /nfs/dbraw/zinc/38/17/37/948381737.db2.gz JMEWMUXNEIBZAD-SFHVURJKSA-N 0 1 392.467 1.965 20 0 GDADMN O=C1[C@H](N2CCC[C@H](n3ccnc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476420 948382409 /nfs/dbraw/zinc/38/24/09/948382409.db2.gz HJSKMMVJTSJZOS-ZWKOTPCHSA-N 0 1 392.467 1.896 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573708427 948450432 /nfs/dbraw/zinc/45/04/32/948450432.db2.gz VFNUIWDUUZMVDO-NEPJUHHUSA-N 0 1 384.469 1.464 20 0 GDADMN C[C@@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573714019 948468540 /nfs/dbraw/zinc/46/85/40/948468540.db2.gz CQLSQMZAFMMJOT-MLGOLLRUSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573715284 948488421 /nfs/dbraw/zinc/48/84/21/948488421.db2.gz SNCGULSKHZNSLC-MNOVXSKESA-N 0 1 383.378 1.793 20 0 GDADMN C[C@@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573719668 948526372 /nfs/dbraw/zinc/52/63/72/948526372.db2.gz MPLGDIOHXIQTRO-LBPRGKRZSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1ccsc1 ZINC001573726674 948550511 /nfs/dbraw/zinc/55/05/11/948550511.db2.gz JFYJLIXFYAYCPJ-YRGRVCCFSA-N 0 1 398.496 1.710 20 0 GDADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1nc[nH]c(=O)c1Br ZINC001542943175 948552513 /nfs/dbraw/zinc/55/25/13/948552513.db2.gz BLAIGCUNNNWRGE-UHFFFAOYSA-N 0 1 376.174 1.055 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H](C)C(C)(C)C ZINC001573727541 948555367 /nfs/dbraw/zinc/55/53/67/948555367.db2.gz ADHROTUDKBCXLT-AAVRWANBSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573736505 948615628 /nfs/dbraw/zinc/61/56/28/948615628.db2.gz YWAOFNJDIABUKE-RHSMWYFYSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001573740452 948634112 /nfs/dbraw/zinc/63/41/12/948634112.db2.gz PMDHABJSPTYSMK-VXGBXAGGSA-N 0 1 386.435 1.137 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573745141 948669010 /nfs/dbraw/zinc/66/90/10/948669010.db2.gz AYUMAMRVLYQREV-TUKIKUTGSA-N 0 1 381.415 1.686 20 0 GDADMN CC(C)c1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001574416323 948746698 /nfs/dbraw/zinc/74/66/98/948746698.db2.gz QOLJRXWWRRQDDJ-HNNXBMFYSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(Br)c1F)n1cnc(-c2nn[nH]n2)n1 ZINC001573755405 948764947 /nfs/dbraw/zinc/76/49/47/948764947.db2.gz DFAZVPWLVLALOU-LURJTMIESA-N 0 1 381.169 1.560 20 0 GDADMN CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574419957 948789838 /nfs/dbraw/zinc/78/98/38/948789838.db2.gz LYSQMRWXANWSGV-ZDUSSCGKSA-N 0 1 381.440 1.010 20 0 GDADMN CC(C)c1ccoc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574421367 948812906 /nfs/dbraw/zinc/81/29/06/948812906.db2.gz JLBRCZZNYBBCGH-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573761754 948848548 /nfs/dbraw/zinc/84/85/48/948848548.db2.gz LZIBIECNXMZRIA-OKILXGFUSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574684055 948856978 /nfs/dbraw/zinc/85/69/78/948856978.db2.gz APTZRHBIPSADLT-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574684055 948856998 /nfs/dbraw/zinc/85/69/98/948856998.db2.gz APTZRHBIPSADLT-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574684055 948857016 /nfs/dbraw/zinc/85/70/16/948857016.db2.gz APTZRHBIPSADLT-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574684055 948857034 /nfs/dbraw/zinc/85/70/34/948857034.db2.gz APTZRHBIPSADLT-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCCCN1C ZINC001574684778 948886425 /nfs/dbraw/zinc/88/64/25/948886425.db2.gz MOFZPRNNIYZBBV-RISCZKNCSA-N 0 1 376.440 1.192 20 0 GDADMN C[C@@H](CNC(=O)CCc1nccs1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920265 948894613 /nfs/dbraw/zinc/89/46/13/948894613.db2.gz HCOIMVGKEXAGAT-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN C[C@@H](CNC(=O)CCc1nccs1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920265 948894634 /nfs/dbraw/zinc/89/46/34/948894634.db2.gz HCOIMVGKEXAGAT-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920480 948907054 /nfs/dbraw/zinc/90/70/54/948907054.db2.gz MFJPHWAMOCGOAH-JTQLQIEISA-N 0 1 377.499 1.612 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574920480 948907074 /nfs/dbraw/zinc/90/70/74/948907074.db2.gz MFJPHWAMOCGOAH-JTQLQIEISA-N 0 1 377.499 1.612 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573771044 948933999 /nfs/dbraw/zinc/93/39/99/948933999.db2.gz AGFUQIDZWYPSHY-TZMCWYRMSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001573771878 948946757 /nfs/dbraw/zinc/94/67/57/948946757.db2.gz NGLUHCASHNQUMR-UHFFFAOYSA-N 0 1 382.472 1.354 20 0 GDADMN C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001574688847 948973672 /nfs/dbraw/zinc/97/36/72/948973672.db2.gz AICWVLLLGQSLPU-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001574688847 948973678 /nfs/dbraw/zinc/97/36/78/948973678.db2.gz AICWVLLLGQSLPU-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574091391 949013921 /nfs/dbraw/zinc/01/39/21/949013921.db2.gz KWLMXINYZJMGKV-KBPBESRZSA-N 0 1 385.472 1.053 20 0 GDADMN CC(C)[N@H+](C)CC(=O)NC[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574926783 949021250 /nfs/dbraw/zinc/02/12/50/949021250.db2.gz XJXIUGIWYRNYJZ-VIFPVBQESA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)NC[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574926783 949021226 /nfs/dbraw/zinc/02/12/26/949021226.db2.gz XJXIUGIWYRNYJZ-VIFPVBQESA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)(C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001573774784 949023997 /nfs/dbraw/zinc/02/39/97/949023997.db2.gz VVKFTUNIJFEJQE-UHFFFAOYSA-N 0 1 387.463 1.181 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574692648 949034647 /nfs/dbraw/zinc/03/46/47/949034647.db2.gz ABQBEFIALNPWNN-CYBMUJFWSA-N 0 1 387.488 1.395 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001574441616 949066479 /nfs/dbraw/zinc/06/64/79/949066479.db2.gz PFCOEELNAXMPJC-ATCWAGBWSA-N 0 1 380.412 1.238 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574694095 949068915 /nfs/dbraw/zinc/06/89/15/949068915.db2.gz KUERTFOXDIJFMA-VIFPVBQESA-N 0 1 386.382 1.316 20 0 GDADMN C[C@@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574931442 949118339 /nfs/dbraw/zinc/11/83/39/949118339.db2.gz PGCVKNBHHUWZBR-LBPRGKRZSA-N 0 1 387.469 1.134 20 0 GDADMN C[C@@H](CNC(=O)COCc1cccnc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574931442 949118347 /nfs/dbraw/zinc/11/83/47/949118347.db2.gz PGCVKNBHHUWZBR-LBPRGKRZSA-N 0 1 387.469 1.134 20 0 GDADMN CC(C)c1occc1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001574446055 949119408 /nfs/dbraw/zinc/11/94/08/949119408.db2.gz HAONUZJXGQXJSZ-FOLVSLTJSA-N 0 1 379.424 1.843 20 0 GDADMN CC(C)(C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)F ZINC001573782721 949126685 /nfs/dbraw/zinc/12/66/85/949126685.db2.gz WDNZZJPIPSSHFP-UHFFFAOYSA-N 0 1 380.403 1.068 20 0 GDADMN C[C@@H](CNC(=O)COc1cccnc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574934433 949160730 /nfs/dbraw/zinc/16/07/30/949160730.db2.gz IDHWSUODIATZTJ-LBPRGKRZSA-N 0 1 385.403 1.074 20 0 GDADMN CC(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574098730 949165516 /nfs/dbraw/zinc/16/55/16/949165516.db2.gz DRYGXNOCAWTKAC-CQSZACIVSA-N 0 1 378.452 1.303 20 0 GDADMN CC(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574098730 949165526 /nfs/dbraw/zinc/16/55/26/949165526.db2.gz DRYGXNOCAWTKAC-CQSZACIVSA-N 0 1 378.452 1.303 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698279 949184042 /nfs/dbraw/zinc/18/40/42/949184042.db2.gz IQEUMJIGOBKYJM-RYUDHWBXSA-N 0 1 384.419 1.280 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001575853261 949211209 /nfs/dbraw/zinc/21/12/09/949211209.db2.gz MVBSYTIVUZKGIV-UHFFFAOYSA-N 0 1 385.472 1.028 20 0 GDADMN C[C@H](c1cnccn1)N1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575516985 949219836 /nfs/dbraw/zinc/21/98/36/949219836.db2.gz SIOCVZLUDJHGQS-OLZOCXBDSA-N 0 1 381.444 1.330 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573791555 949222424 /nfs/dbraw/zinc/22/24/24/949222424.db2.gz BWINBJDSZSHUFV-ZDUSSCGKSA-N 0 1 392.529 1.760 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573791555 949222446 /nfs/dbraw/zinc/22/24/46/949222446.db2.gz BWINBJDSZSHUFV-ZDUSSCGKSA-N 0 1 392.529 1.760 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575255321 949226427 /nfs/dbraw/zinc/22/64/27/949226427.db2.gz ZEIJDOZPUXBWJV-ZIAGYGMSSA-N 0 1 386.504 1.831 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575517214 949229020 /nfs/dbraw/zinc/22/90/20/949229020.db2.gz UTTHAPVTPAGYMZ-JSGCOSHPSA-N 0 1 381.444 1.330 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC001575854421 949233551 /nfs/dbraw/zinc/23/35/51/949233551.db2.gz WGQNVLJSADZKSR-ZDUSSCGKSA-N 0 1 382.472 1.452 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574701519 949263768 /nfs/dbraw/zinc/26/37/68/949263768.db2.gz BIVWSVXIRLTLMF-DIFFPNOSSA-N 0 1 380.399 1.071 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574940657 949272609 /nfs/dbraw/zinc/27/26/09/949272609.db2.gz IFOAWAPSRJMDGR-SNVBAGLBSA-N 0 1 388.382 1.119 20 0 GDADMN C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702068 949276005 /nfs/dbraw/zinc/27/60/05/949276005.db2.gz FZFIEJPCZILCSP-SECBINFHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccnc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574940987 949284890 /nfs/dbraw/zinc/28/48/90/949284890.db2.gz NPXLMQUAVCEJBF-VIFPVBQESA-N 0 1 392.876 1.555 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001574454922 949291304 /nfs/dbraw/zinc/29/13/04/949291304.db2.gz GZNWUTQVSJEIKC-BETUJISGSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001574454922 949291323 /nfs/dbraw/zinc/29/13/23/949291323.db2.gz GZNWUTQVSJEIKC-BETUJISGSA-N 0 1 386.485 1.756 20 0 GDADMN C[C@@H](NC(=O)C1=CCOCC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575259611 949333398 /nfs/dbraw/zinc/33/33/98/949333398.db2.gz PTPHGQNENHIVGG-GFCCVEGCSA-N 0 1 386.431 1.289 20 0 GDADMN C[C@H](CNC(=O)Cc1ccon1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942069 949333988 /nfs/dbraw/zinc/33/39/88/949333988.db2.gz JWSORZLGKAYHRC-SSDOTTSWSA-N 0 1 382.837 1.372 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260816 949364065 /nfs/dbraw/zinc/36/40/65/949364065.db2.gz XSCXBRCULLBWAY-IAQYHMDHSA-N 0 1 376.411 1.849 20 0 GDADMN C[C@@H](NC(=O)C1CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575262818 949382753 /nfs/dbraw/zinc/38/27/53/949382753.db2.gz CJRYDXFYFLKAKK-LLVKDONJSA-N 0 1 376.486 1.291 20 0 GDADMN CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]2C1(C)C ZINC001574112596 949387009 /nfs/dbraw/zinc/38/70/09/949387009.db2.gz LGLJHTVBAZMYBG-APHBMKBZSA-N 0 1 384.488 1.812 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574704589 949397709 /nfs/dbraw/zinc/39/77/09/949397709.db2.gz DEQBUEKVTAPGLA-WMLDXEAASA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574704589 949397725 /nfs/dbraw/zinc/39/77/25/949397725.db2.gz DEQBUEKVTAPGLA-WMLDXEAASA-N 0 1 386.504 1.783 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCC1(F)F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704872 949409225 /nfs/dbraw/zinc/40/92/25/949409225.db2.gz FJBMVOZSQDCWEK-GXFFZTMASA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)c1cnn[nH]1 ZINC001576155970 949426179 /nfs/dbraw/zinc/42/61/79/949426179.db2.gz KUGYABTZFGAIKB-DIFFPNOSSA-N 0 1 382.432 1.171 20 0 GDADMN CC(C)n1cccc1C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574465712 949441633 /nfs/dbraw/zinc/44/16/33/949441633.db2.gz WYIJCACJRPNACD-UHFFFAOYSA-N 0 1 381.444 1.438 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574465664 949445255 /nfs/dbraw/zinc/44/52/55/949445255.db2.gz UXQZXHRTLAGMLM-LBPRGKRZSA-N 0 1 389.485 1.191 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574465664 949445264 /nfs/dbraw/zinc/44/52/64/949445264.db2.gz UXQZXHRTLAGMLM-LBPRGKRZSA-N 0 1 389.485 1.191 20 0 GDADMN CC1(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)CCCCC1 ZINC001575535496 949449980 /nfs/dbraw/zinc/44/99/80/949449980.db2.gz XPIVZIUAZUZCQW-UHFFFAOYSA-N 0 1 384.488 1.700 20 0 GDADMN C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001576156667 949455741 /nfs/dbraw/zinc/45/57/41/949455741.db2.gz ZAAHZLNTHNPDBP-WZFJYNIESA-N 0 1 382.472 1.663 20 0 GDADMN CC(C)CC(=O)NC[C@@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574117338 949466910 /nfs/dbraw/zinc/46/69/10/949466910.db2.gz RGEJWPKVOVJURC-SFHVURJKSA-N 0 1 376.436 1.105 20 0 GDADMN CC1(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCC(F)(F)CC1 ZINC001575536344 949467127 /nfs/dbraw/zinc/46/71/27/949467127.db2.gz HFNYKRICMUVKLB-GFCCVEGCSA-N 0 1 391.426 1.912 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574468872 949471095 /nfs/dbraw/zinc/47/10/95/949471095.db2.gz UQTPRBHJAIMCBD-JOCQHMNTSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574469126 949473358 /nfs/dbraw/zinc/47/33/58/949473358.db2.gz XCVQVVGYMCPZQO-UHFFFAOYSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576157334 949481751 /nfs/dbraw/zinc/48/17/51/949481751.db2.gz PTXCQWIXONRMRV-HIFRSBDPSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[NH+](C)C ZINC001576157716 949490175 /nfs/dbraw/zinc/49/01/75/949490175.db2.gz RRKXMCNLDWFZFQ-UGSOOPFHSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[NH+](C)C ZINC001576157716 949490240 /nfs/dbraw/zinc/49/02/40/949490240.db2.gz RRKXMCNLDWFZFQ-UGSOOPFHSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001576164278 949553707 /nfs/dbraw/zinc/55/37/07/949553707.db2.gz GOQHPTVSYYAUGC-SZOQZIPDSA-N 0 1 385.472 1.338 20 0 GDADMN CC1(C(=O)N2CCC[C@@](CO)(NCc3ccc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001575539839 949558146 /nfs/dbraw/zinc/55/81/46/949558146.db2.gz UJNBWGRLPBVBCD-LJQANCHMSA-N 0 1 388.447 1.249 20 0 GDADMN C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574475873 949578178 /nfs/dbraw/zinc/57/81/78/949578178.db2.gz CSYJDZBNWDUKNN-HOCLYGCPSA-N 0 1 392.467 1.888 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCOC1 ZINC001573812651 949622393 /nfs/dbraw/zinc/62/23/93/949622393.db2.gz SODMKFQTQHTUAG-WFASDCNBSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCOC1 ZINC001573812651 949622406 /nfs/dbraw/zinc/62/24/06/949622406.db2.gz SODMKFQTQHTUAG-WFASDCNBSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1cnc[nH]1 ZINC001573812829 949625812 /nfs/dbraw/zinc/62/58/12/949625812.db2.gz UZWKICOEEYFCAK-AWEZNQCLSA-N 0 1 383.460 1.560 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574715037 949638784 /nfs/dbraw/zinc/63/87/84/949638784.db2.gz ADNALBCAXAFKHH-QWHCGFSZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574715037 949638801 /nfs/dbraw/zinc/63/88/01/949638801.db2.gz ADNALBCAXAFKHH-QWHCGFSZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1 ZINC001574477617 949667195 /nfs/dbraw/zinc/66/71/95/949667195.db2.gz SOVYYERWXMHHQY-QAPCUYQASA-N 0 1 386.500 1.962 20 0 GDADMN C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574958797 949693086 /nfs/dbraw/zinc/69/30/86/949693086.db2.gz WRLFRDWKFRCNAC-RCDCFZSISA-N 0 1 392.467 1.791 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001573817875 949708213 /nfs/dbraw/zinc/70/82/13/949708213.db2.gz CESRLTJNUCGYAJ-MJBXVCDLSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574134732 949730955 /nfs/dbraw/zinc/73/09/55/949730955.db2.gz IWUYIBNKROOLHA-KFWWJZLASA-N 0 1 384.488 1.909 20 0 GDADMN C[C@@H](NC(=O)CCOc1ccccc1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575277112 949739372 /nfs/dbraw/zinc/73/93/72/949739372.db2.gz NTWBSXFKCQJYLX-ZIAGYGMSSA-N 0 1 381.440 1.458 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576171457 949766654 /nfs/dbraw/zinc/76/66/54/949766654.db2.gz QPJJQHOKBDHQIY-ZIAGYGMSSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576171457 949766676 /nfs/dbraw/zinc/76/66/76/949766676.db2.gz QPJJQHOKBDHQIY-ZIAGYGMSSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172103 949791739 /nfs/dbraw/zinc/79/17/39/949791739.db2.gz UYFIELCQPZNWJW-STQMWFEESA-N 0 1 376.440 1.257 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172288 949795764 /nfs/dbraw/zinc/79/57/64/949795764.db2.gz WCCDZBHELSTOFI-KBPBESRZSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172288 949795777 /nfs/dbraw/zinc/79/57/77/949795777.db2.gz WCCDZBHELSTOFI-KBPBESRZSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172288 949795792 /nfs/dbraw/zinc/79/57/92/949795792.db2.gz WCCDZBHELSTOFI-KBPBESRZSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172288 949795802 /nfs/dbraw/zinc/79/58/02/949795802.db2.gz WCCDZBHELSTOFI-KBPBESRZSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC2(C)CC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172859 949822601 /nfs/dbraw/zinc/82/26/01/949822601.db2.gz YSRAVRTZXBOMPN-KBPBESRZSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574140604 949837685 /nfs/dbraw/zinc/83/76/85/949837685.db2.gz OPBYWNNZAMKYRE-XGUBFFRZSA-N 0 1 384.488 1.955 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccncc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574722702 949838633 /nfs/dbraw/zinc/83/86/33/949838633.db2.gz VQKDXYIAHJEINA-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccncc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574722702 949838651 /nfs/dbraw/zinc/83/86/51/949838651.db2.gz VQKDXYIAHJEINA-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575283151 949859252 /nfs/dbraw/zinc/85/92/52/949859252.db2.gz NVDRFSVEWURHOS-WDEREUQCSA-N 0 1 387.394 1.510 20 0 GDADMN C[C@H](NC(=O)COc1ccccc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283344 949866561 /nfs/dbraw/zinc/86/65/61/949866561.db2.gz OHXZKSVXOMJXMA-HNNXBMFYSA-N 0 1 392.463 1.882 20 0 GDADMN C[C@H](NC(=O)CCn1cccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283386 949871454 /nfs/dbraw/zinc/87/14/54/949871454.db2.gz FXNKXPQNXWNKAF-AWEZNQCLSA-N 0 1 380.456 1.090 20 0 GDADMN C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001574484809 949903905 /nfs/dbraw/zinc/90/39/05/949903905.db2.gz OWCHORPSCKZYFS-JTQLQIEISA-N 0 1 384.366 1.284 20 0 GDADMN C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574725931 949915927 /nfs/dbraw/zinc/91/59/27/949915927.db2.gz VZMBKNRWYQUJQG-VIFPVBQESA-N 0 1 384.897 1.331 20 0 GDADMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001595276946 949929212 /nfs/dbraw/zinc/92/92/12/949929212.db2.gz SNFWQZQLWVSRCZ-CQSZACIVSA-N 0 1 375.356 1.077 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180515 949962199 /nfs/dbraw/zinc/96/21/99/949962199.db2.gz DVHXZPDIBDOOQK-ZIAGYGMSSA-N 0 1 387.463 1.720 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574490431 949995666 /nfs/dbraw/zinc/99/56/66/949995666.db2.gz RMSJJEHSYISTNX-CKEIUWERSA-N 0 1 380.456 1.395 20 0 GDADMN CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573835049 950032112 /nfs/dbraw/zinc/03/21/12/950032112.db2.gz MXULNBUZGDAJMW-FQEVSTJZSA-N 0 1 386.500 1.746 20 0 GDADMN C[C@H]1CCN(C(=O)CCCC2CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182039 950033329 /nfs/dbraw/zinc/03/33/29/950033329.db2.gz KQCIYSWXUSWTFF-ZFWWWQNUSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574730998 950041961 /nfs/dbraw/zinc/04/19/61/950041961.db2.gz VDZMTKYVEZTYLC-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001574491783 950044165 /nfs/dbraw/zinc/04/41/65/950044165.db2.gz FXVZZTTYAOCAIO-GXTWGEPZSA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574150966 950049012 /nfs/dbraw/zinc/04/90/12/950049012.db2.gz IGLPAVKRLKVDOO-JCGVRSQUSA-N 0 1 390.513 1.585 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574150966 950049039 /nfs/dbraw/zinc/04/90/39/950049039.db2.gz IGLPAVKRLKVDOO-JCGVRSQUSA-N 0 1 390.513 1.585 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnco1 ZINC001574151009 950050202 /nfs/dbraw/zinc/05/02/02/950050202.db2.gz JEEQKDIBOHIGLM-NSHDSACASA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnco1 ZINC001574151009 950050223 /nfs/dbraw/zinc/05/02/23/950050223.db2.gz JEEQKDIBOHIGLM-NSHDSACASA-N 0 1 375.458 1.851 20 0 GDADMN C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574492179 950067036 /nfs/dbraw/zinc/06/70/36/950067036.db2.gz KKQQSQJBUZQRBO-PRTUASRFSA-N 0 1 382.472 1.709 20 0 GDADMN C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182977 950073862 /nfs/dbraw/zinc/07/38/62/950073862.db2.gz OEVGIPNVRQISQZ-RYUDHWBXSA-N 0 1 379.415 1.625 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1CCOCC1 ZINC001574151646 950090594 /nfs/dbraw/zinc/09/05/94/950090594.db2.gz XAKDKVBLFONJDB-AWEZNQCLSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1CCOCC1 ZINC001574151646 950090612 /nfs/dbraw/zinc/09/06/12/950090612.db2.gz XAKDKVBLFONJDB-AWEZNQCLSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733622 950118988 /nfs/dbraw/zinc/11/89/88/950118988.db2.gz DXCABAZBZPWOEF-IAMHBRQHSA-N 0 1 392.467 1.315 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184106 950118981 /nfs/dbraw/zinc/11/89/81/950118981.db2.gz UAIIDQDATRKDGC-CHWSQXEVSA-N 0 1 382.472 1.165 20 0 GDADMN CC1(C(=O)NC[C@@]2(O)CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCC1 ZINC001575582577 950121132 /nfs/dbraw/zinc/12/11/32/950121132.db2.gz KPLWGOVWTNKWNE-IBGZPJMESA-N 0 1 388.447 1.249 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184918 950146709 /nfs/dbraw/zinc/14/67/09/950146709.db2.gz YENIRUQUPCPNBR-CHWSQXEVSA-N 0 1 388.451 1.115 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574735023 950155113 /nfs/dbraw/zinc/15/51/13/950155113.db2.gz XNJJIYJKUOEMMU-HXFLIBJXSA-N 0 1 383.865 1.128 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1CCCCN1C ZINC001574153918 950158706 /nfs/dbraw/zinc/15/87/06/950158706.db2.gz XWMJAGBRCOZWFE-CVEARBPZSA-N 0 1 386.504 1.689 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899475 950168473 /nfs/dbraw/zinc/16/84/73/950168473.db2.gz WRQPLJLRLJZUMX-BBRMVZONSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@H](CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574494739 950179631 /nfs/dbraw/zinc/17/96/31/950179631.db2.gz NLSCGPNBKSCKQI-ACJLOTCBSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575900933 950212709 /nfs/dbraw/zinc/21/27/09/950212709.db2.gz JSSKIJDJNZFSQA-ONGXEEELSA-N 0 1 388.432 1.645 20 0 GDADMN CC(C)(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844975 950213072 /nfs/dbraw/zinc/21/30/72/950213072.db2.gz PRSMXGCUTGNYQG-GOSISDBHSA-N 0 1 375.477 1.188 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(F)cn1 ZINC001574157702 950251464 /nfs/dbraw/zinc/25/14/64/950251464.db2.gz HAZFHSAYSCLDDG-ZDUSSCGKSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@H](CN(C)C(=O)c1c[nH]c2ccccc12)Nc1ccncc1-c1nn[nH]n1 ZINC001574742054 950263437 /nfs/dbraw/zinc/26/34/37/950263437.db2.gz GXPDMPKKRVUWGF-GFCCVEGCSA-N 0 1 376.424 1.738 20 0 GDADMN CC1CC[NH+](CC(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001576193341 950298487 /nfs/dbraw/zinc/29/84/87/950298487.db2.gz TVCMVFFCPGFBJL-INIZCTEOSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)C[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576193950 950323577 /nfs/dbraw/zinc/32/35/77/950323577.db2.gz XBBGMOJWNNLMCP-PWSUYJOCSA-N 0 1 385.407 1.334 20 0 GDADMN C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576194205 950330861 /nfs/dbraw/zinc/33/08/61/950330861.db2.gz XPFKZDWGXSMBMF-NEPJUHHUSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)NCCC(=O)[O-])cc2)C[C@H]1C ZINC000263262867 950345628 /nfs/dbraw/zinc/34/56/28/950345628.db2.gz QNPKVBLCAIBLQR-IYBDPMFKSA-N 0 1 377.485 1.970 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnns1 ZINC001575908543 950368636 /nfs/dbraw/zinc/36/86/36/950368636.db2.gz UXGLFKJRKOWDLF-WPRPVWTQSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cnns1 ZINC001575908543 950368656 /nfs/dbraw/zinc/36/86/56/950368656.db2.gz UXGLFKJRKOWDLF-WPRPVWTQSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574503049 950398790 /nfs/dbraw/zinc/39/87/90/950398790.db2.gz SPRMTUKXMJKYIO-PBHICJAKSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198371 950411297 /nfs/dbraw/zinc/41/12/97/950411297.db2.gz SEOOJIUDMQAIDY-HOCLYGCPSA-N 0 1 384.488 1.395 20 0 GDADMN CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cc(C)cc(C(=O)[O-])c2)CC1 ZINC001589721244 950426676 /nfs/dbraw/zinc/42/66/76/950426676.db2.gz KGEKBMIQWKWRFG-UHFFFAOYSA-N 0 1 375.469 1.756 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc(Cl)ccc1F ZINC001574993960 950471126 /nfs/dbraw/zinc/47/11/26/950471126.db2.gz NWYIFGFSAUQJPM-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1[O-] ZINC001575912980 950471344 /nfs/dbraw/zinc/47/13/44/950471344.db2.gz SJICUTZJRZVDQF-DOMZBBRYSA-N 0 1 379.424 1.360 20 0 GDADMN CC[N@@H+](CCC1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1)CC(C)C ZINC001589730553 950501626 /nfs/dbraw/zinc/50/16/26/950501626.db2.gz MYQPBFUPUDCRSR-KRWDZBQOSA-N 0 1 389.562 1.860 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(F)(F)F)ccn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574995280 950501924 /nfs/dbraw/zinc/50/19/24/950501924.db2.gz DCBXRBWHLLZMGF-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC=C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574752998 950510247 /nfs/dbraw/zinc/51/02/47/950510247.db2.gz IFWDWEGTFQVJDX-CYBMUJFWSA-N 0 1 390.451 1.611 20 0 GDADMN CC(C)(C)OCC(=O)NC1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573868525 950542523 /nfs/dbraw/zinc/54/25/23/950542523.db2.gz DETCNVXYADTCJK-UHFFFAOYSA-N 0 1 390.463 1.902 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575615809 950576324 /nfs/dbraw/zinc/57/63/24/950576324.db2.gz IFUHROWSQKBKTD-UHFFFAOYSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573870503 950597513 /nfs/dbraw/zinc/59/75/13/950597513.db2.gz XENGBBJFOZIFAU-UKRRQHHQSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H](C)n1cccn1 ZINC001574513257 950601297 /nfs/dbraw/zinc/60/12/97/950601297.db2.gz LSJZUAFPCXDVTG-OLZOCXBDSA-N 0 1 386.435 1.448 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573870844 950605294 /nfs/dbraw/zinc/60/52/94/950605294.db2.gz XXSYGMFAQKSXIH-ZDUSSCGKSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573870844 950605310 /nfs/dbraw/zinc/60/53/10/950605310.db2.gz XXSYGMFAQKSXIH-ZDUSSCGKSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NCCN(c2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576208966 950623747 /nfs/dbraw/zinc/62/37/47/950623747.db2.gz WJMXIPRFKOVRSX-CYBMUJFWSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NCCN(c2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576208966 950623758 /nfs/dbraw/zinc/62/37/58/950623758.db2.gz WJMXIPRFKOVRSX-CYBMUJFWSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001574517861 950651898 /nfs/dbraw/zinc/65/18/98/950651898.db2.gz MNGASIBYPMLRPL-XPCVCDNBSA-N 0 1 390.513 1.870 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001574517861 950651909 /nfs/dbraw/zinc/65/19/09/950651909.db2.gz MNGASIBYPMLRPL-XPCVCDNBSA-N 0 1 390.513 1.870 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001589744893 950672183 /nfs/dbraw/zinc/67/21/83/950672183.db2.gz JQMBEZCJORLGLG-IXDOHACOSA-N 0 1 388.468 1.197 20 0 GDADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001589744874 950672276 /nfs/dbraw/zinc/67/22/76/950672276.db2.gz IQFXZEDZONMFGR-KUHUBIRLSA-N 0 1 399.488 1.068 20 0 GDADMN CC1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576214543 950674929 /nfs/dbraw/zinc/67/49/29/950674929.db2.gz PPXDBLUVAMUWLO-IKGGRYGDSA-N 0 1 396.499 1.220 20 0 GDADMN C[C@@H](CNC(=O)c1cc2occc2s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575005333 950676414 /nfs/dbraw/zinc/67/64/14/950676414.db2.gz BDBADMSHYNIIPO-VIFPVBQESA-N 0 1 384.425 1.719 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575924937 950677302 /nfs/dbraw/zinc/67/73/02/950677302.db2.gz GDUYMOCZAYGOJZ-BLLLJJGKSA-N 0 1 391.435 1.334 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2cnco2)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575006203 950714707 /nfs/dbraw/zinc/71/47/07/950714707.db2.gz SCXMZEXWZZHTBQ-LBPRGKRZSA-N 0 1 390.407 1.569 20 0 GDADMN C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575006628 950726361 /nfs/dbraw/zinc/72/63/61/950726361.db2.gz WJZXFFWDCNBSRB-LBPRGKRZSA-N 0 1 385.497 1.974 20 0 GDADMN C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575006628 950726369 /nfs/dbraw/zinc/72/63/69/950726369.db2.gz WJZXFFWDCNBSRB-LBPRGKRZSA-N 0 1 385.497 1.974 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574763667 950727739 /nfs/dbraw/zinc/72/77/39/950727739.db2.gz HSGIKHGETXKDPR-GFCCVEGCSA-N 0 1 383.460 1.208 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnccn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574763990 950738811 /nfs/dbraw/zinc/73/88/11/950738811.db2.gz OLRRMWIPBXRYDE-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C23CCC3)C1 ZINC001575629564 950739462 /nfs/dbraw/zinc/73/94/62/950739462.db2.gz PLHJGLICJKMQQK-CVEARBPZSA-N 0 1 381.484 1.959 20 0 GDADMN CC1(C)CC(C(=O)N[C@]23CCC[C@@H]2N(c2ccnc(-c4nn[nH]n4)n2)CC3)C1 ZINC001575629987 950750827 /nfs/dbraw/zinc/75/08/27/950750827.db2.gz XUPRCYWWTFQMGB-DJJJIMSYSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575928120 950771611 /nfs/dbraw/zinc/77/16/11/950771611.db2.gz YWTXFNZKNDZSCE-XHDPSFHLSA-N 0 1 391.439 1.066 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576218562 950796078 /nfs/dbraw/zinc/79/60/78/950796078.db2.gz MMJATDVDYPJCQN-WDEREUQCSA-N 0 1 392.414 1.020 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cnn(C)c1 ZINC001574523475 950818443 /nfs/dbraw/zinc/81/84/43/950818443.db2.gz NWWHSNDLWJWCDZ-NWDGAFQWSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cnn(C)c1 ZINC001574523475 950818475 /nfs/dbraw/zinc/81/84/75/950818475.db2.gz NWWHSNDLWJWCDZ-NWDGAFQWSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCc1ccon1 ZINC001574523950 950840212 /nfs/dbraw/zinc/84/02/12/950840212.db2.gz SLGCKBXRXNXXGK-RYUDHWBXSA-N 0 1 389.485 1.922 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCc1ccon1 ZINC001574523950 950840240 /nfs/dbraw/zinc/84/02/40/950840240.db2.gz SLGCKBXRXNXXGK-RYUDHWBXSA-N 0 1 389.485 1.922 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCn1ccnc1 ZINC001574524373 950854953 /nfs/dbraw/zinc/85/49/53/950854953.db2.gz VZDLUJLRNVTDDY-STQMWFEESA-N 0 1 388.501 1.588 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cncn1C ZINC001574524497 950863153 /nfs/dbraw/zinc/86/31/53/950863153.db2.gz XKGJURKMUSVXKU-NWDGAFQWSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cncn1C ZINC001574524497 950863165 /nfs/dbraw/zinc/86/31/65/950863165.db2.gz XKGJURKMUSVXKU-NWDGAFQWSA-N 0 1 388.501 1.277 20 0 GDADMN O=C([O-])CC1(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC001594974194 950902201 /nfs/dbraw/zinc/90/22/01/950902201.db2.gz LULQBUMNJBLRGC-HXUWFJFHSA-N 0 1 376.453 1.011 20 0 GDADMN CC1(C)C[C@H](NC(=O)CCCF)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575640832 950903992 /nfs/dbraw/zinc/90/39/92/950903992.db2.gz LENSGQQFINWDQY-GFCCVEGCSA-N 0 1 376.440 1.518 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-n2cccc2)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575018336 951017965 /nfs/dbraw/zinc/01/79/65/951017965.db2.gz PKZBNHROFPUFHI-AWEZNQCLSA-N 0 1 388.435 1.705 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001575026917 951150529 /nfs/dbraw/zinc/15/05/29/951150529.db2.gz OCPKSVJCEQAFDB-VIFPVBQESA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H](CNC(=O)c1cccc(Cl)c1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575028355 951172192 /nfs/dbraw/zinc/17/21/92/951172192.db2.gz VRELTTPXMNYEQK-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN C[C@H](CNC(=O)c1ccsn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575039665 951331156 /nfs/dbraw/zinc/33/11/56/951331156.db2.gz RJJJRUKFTRDAKV-ZCFIWIBFSA-N 0 1 384.878 1.688 20 0 GDADMN C[C@H](CNC(=O)c1cncnc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575045617 951430063 /nfs/dbraw/zinc/43/00/63/951430063.db2.gz FLRIXUNQPZFKLW-SSDOTTSWSA-N 0 1 379.837 1.021 20 0 GDADMN C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575056345 951517932 /nfs/dbraw/zinc/51/79/32/951517932.db2.gz HUYISHAFUWVQTO-LLVKDONJSA-N 0 1 384.444 1.802 20 0 GDADMN C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001575056900 951522761 /nfs/dbraw/zinc/52/27/61/951522761.db2.gz LZOAHVVNSNWMIJ-LLVKDONJSA-N 0 1 382.428 1.560 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575057727 951529651 /nfs/dbraw/zinc/52/96/51/951529651.db2.gz PVXRQLYJNDIYJQ-QMMMGPOBSA-N 0 1 378.343 1.442 20 0 GDADMN C[C@H](CNC(=O)c1conc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575057846 951532165 /nfs/dbraw/zinc/53/21/65/951532165.db2.gz RODFCKAJWUCMGG-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575060651 951544735 /nfs/dbraw/zinc/54/47/35/951544735.db2.gz CALJOLAPODCYEX-NSHDSACASA-N 0 1 381.444 1.118 20 0 GDADMN C[C@H](CNC(=O)c1occc1Br)Nc1ccncc1-c1nn[nH]n1 ZINC001575065484 951587004 /nfs/dbraw/zinc/58/70/04/951587004.db2.gz HOSBIWYPGFTMRN-MRVPVSSYSA-N 0 1 392.217 1.270 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)C1=O ZINC001595074828 951640048 /nfs/dbraw/zinc/64/00/48/951640048.db2.gz YBAJXIRJEAGYHT-RHSMWYFYSA-N 0 1 397.269 1.418 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)C1=O ZINC001595074828 951640054 /nfs/dbraw/zinc/64/00/54/951640054.db2.gz YBAJXIRJEAGYHT-RHSMWYFYSA-N 0 1 397.269 1.418 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1CCOCC1 ZINC001575089139 951745884 /nfs/dbraw/zinc/74/58/84/951745884.db2.gz DWPKZKQDQQGMDU-CYBMUJFWSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575089025 951746564 /nfs/dbraw/zinc/74/65/64/951746564.db2.gz CORIZXCVVJOONK-RZAIGCCYSA-N 0 1 388.497 1.339 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575089025 951746572 /nfs/dbraw/zinc/74/65/72/951746572.db2.gz CORIZXCVVJOONK-RZAIGCCYSA-N 0 1 388.497 1.339 20 0 GDADMN C[C@@H](CNC(=O)c1cnoc1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098101 951819834 /nfs/dbraw/zinc/81/98/34/951819834.db2.gz AQUGJRIAXJFPDE-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@@H](CNC(=O)c1cnoc1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098101 951819846 /nfs/dbraw/zinc/81/98/46/951819846.db2.gz AQUGJRIAXJFPDE-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098152 951821687 /nfs/dbraw/zinc/82/16/87/951821687.db2.gz BMPMACCDVOITOY-STQMWFEESA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098152 951821694 /nfs/dbraw/zinc/82/16/94/951821694.db2.gz BMPMACCDVOITOY-STQMWFEESA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ccncn1 ZINC001575098425 951823532 /nfs/dbraw/zinc/82/35/32/951823532.db2.gz CQDUBUDNBDUBMA-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ccncn1 ZINC001575098425 951823536 /nfs/dbraw/zinc/82/35/36/951823536.db2.gz CQDUBUDNBDUBMA-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1[O-])C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102358 951867555 /nfs/dbraw/zinc/86/75/55/951867555.db2.gz LOXOWVNGEROKRU-NSHDSACASA-N 0 1 385.403 1.262 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575102728 951872657 /nfs/dbraw/zinc/87/26/57/951872657.db2.gz POFWJIAEVKMVDU-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575102728 951872661 /nfs/dbraw/zinc/87/26/61/951872661.db2.gz POFWJIAEVKMVDU-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@@H](CNCc1cccc(F)c1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575115205 951962443 /nfs/dbraw/zinc/96/24/43/951962443.db2.gz VUAFOBJSKMILNT-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CNCc1nc2c(o1)CCCC2)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117051 951976747 /nfs/dbraw/zinc/97/67/47/951976747.db2.gz KRZBHOJTGJQELS-LLVKDONJSA-N 0 1 384.444 1.217 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1=CCCCCC1)C1CC1 ZINC001575132702 952096965 /nfs/dbraw/zinc/09/69/65/952096965.db2.gz AGAHODFEFJGGPS-IBGZPJMESA-N 0 1 382.472 1.666 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575137460 952139405 /nfs/dbraw/zinc/13/94/05/952139405.db2.gz ZMTPNPLAPCIVGU-QLJPJBMISA-N 0 1 392.414 1.211 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575143623 952154214 /nfs/dbraw/zinc/15/42/14/952154214.db2.gz BRHPWSXKZDEXMP-SFHVURJKSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575144213 952164284 /nfs/dbraw/zinc/16/42/84/952164284.db2.gz USUFOIZGBXHVFN-ZQGRQUNCSA-N 0 1 392.467 1.315 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575146809 952196564 /nfs/dbraw/zinc/19/65/64/952196564.db2.gz NXRYLHCXSKFCIR-LBPRGKRZSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1n[nH]cc1F ZINC001575165306 952305992 /nfs/dbraw/zinc/30/59/92/952305992.db2.gz NHOMAAOFNXGPDA-RXMQYKEDSA-N 0 1 385.816 1.411 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575188590 952448577 /nfs/dbraw/zinc/44/85/77/952448577.db2.gz JTPQKSULMMMKRS-IYXRBSQSSA-N 0 1 381.440 1.557 20 0 GDADMN Cc1cc(NC[C@H]2CCN(C(=O)C(C)(C)F)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571118012 952485999 /nfs/dbraw/zinc/48/59/99/952485999.db2.gz RVCAOGBORHDOEI-DGCLKSJQSA-N 0 1 375.452 1.637 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2ncccc2-c2nn[nH]n2)CCC1 ZINC001575199290 952488488 /nfs/dbraw/zinc/48/84/88/952488488.db2.gz BOYZHOYOAIGQKR-LBPRGKRZSA-N 0 1 381.444 1.314 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575200397 952495932 /nfs/dbraw/zinc/49/59/32/952495932.db2.gz JACKSTJFHBXTKI-WFASDCNBSA-N 0 1 383.460 1.416 20 0 GDADMN C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571121039 952512983 /nfs/dbraw/zinc/51/29/83/952512983.db2.gz VHITZFUPDGIXAC-LDYMZIIASA-N 0 1 376.421 1.041 20 0 GDADMN C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571121039 952512991 /nfs/dbraw/zinc/51/29/91/952512991.db2.gz VHITZFUPDGIXAC-LDYMZIIASA-N 0 1 376.421 1.041 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123396 952528769 /nfs/dbraw/zinc/52/87/69/952528769.db2.gz RDCOBGUMYOCLSN-TZMCWYRMSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123396 952528771 /nfs/dbraw/zinc/52/87/71/952528771.db2.gz RDCOBGUMYOCLSN-TZMCWYRMSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123396 952528776 /nfs/dbraw/zinc/52/87/76/952528776.db2.gz RDCOBGUMYOCLSN-TZMCWYRMSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123396 952528781 /nfs/dbraw/zinc/52/87/81/952528781.db2.gz RDCOBGUMYOCLSN-TZMCWYRMSA-N 0 1 376.486 1.388 20 0 GDADMN CC1(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001571124007 952533758 /nfs/dbraw/zinc/53/37/58/952533758.db2.gz XBSGKIABBQNODV-LBPRGKRZSA-N 0 1 376.486 1.435 20 0 GDADMN CC1(C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001571124007 952533762 /nfs/dbraw/zinc/53/37/62/952533762.db2.gz XBSGKIABBQNODV-LBPRGKRZSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H](Cc1cnn(C)c1)C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575207851 952535668 /nfs/dbraw/zinc/53/56/68/952535668.db2.gz UCTPJMLQKFCGRF-AWEZNQCLSA-N 0 1 382.472 1.027 20 0 GDADMN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2ccncc2-c2nn[nH]n2)CCC1(F)F ZINC001571124282 952536291 /nfs/dbraw/zinc/53/62/91/952536291.db2.gz DNTYNTGIAGWFLL-GRYCIOLGSA-N 0 1 377.399 1.496 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](C)N(C(=O)C3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124291 952536597 /nfs/dbraw/zinc/53/65/97/952536597.db2.gz DTUYCUYTWSQFOL-JQWIXIFHSA-N 0 1 377.399 1.439 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575213550 952558669 /nfs/dbraw/zinc/55/86/69/952558669.db2.gz AFGLNIKOPHGXII-JTQLQIEISA-N 0 1 380.403 1.423 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575213554 952558754 /nfs/dbraw/zinc/55/87/54/952558754.db2.gz AFGLNIKOPHGXII-SNVBAGLBSA-N 0 1 380.403 1.423 20 0 GDADMN CN(C(=O)C1C=CC=CC=C1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571127730 952559000 /nfs/dbraw/zinc/55/90/00/952559000.db2.gz MKEXUBKNOFCZNT-UHFFFAOYSA-N 0 1 377.452 1.987 20 0 GDADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccncc1 ZINC001571128031 952561886 /nfs/dbraw/zinc/56/18/86/952561886.db2.gz NUINPPAURVJTOG-INIZCTEOSA-N 0 1 377.452 1.904 20 0 GDADMN Cc1cc(NCC2CC(NC(=O)Cc3ccccc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571127908 952562738 /nfs/dbraw/zinc/56/27/38/952562738.db2.gz MKNGUJQZLARNJF-UHFFFAOYSA-N 0 1 377.452 1.541 20 0 GDADMN CN(c1ccncc1-c1nn[nH]n1)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC001571129010 952573252 /nfs/dbraw/zinc/57/32/52/952573252.db2.gz YZMXEXWBPYJKJD-UHFFFAOYSA-N 0 1 377.452 1.932 20 0 GDADMN Cc1cc(NC[C@@H]2CCCN2C(=O)Cc2cccnc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134058 952585047 /nfs/dbraw/zinc/58/50/47/952585047.db2.gz CUDKTHSRCDFMEL-HNNXBMFYSA-N 0 1 378.440 1.033 20 0 GDADMN CCc1cccc(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134641 952592561 /nfs/dbraw/zinc/59/25/61/952592561.db2.gz IXAIRMTWHSOOCM-OAHLLOKOSA-N 0 1 378.440 1.157 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)Cc3cnccc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135118 952599937 /nfs/dbraw/zinc/59/99/37/952599937.db2.gz RVAANDZPQVAIOZ-HNNXBMFYSA-N 0 1 378.440 1.211 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1cc(C2CC2)n[nH]1 ZINC001571140983 952629397 /nfs/dbraw/zinc/62/93/97/952629397.db2.gz DOCABNHBEQZPEI-CQSZACIVSA-N 0 1 378.440 1.472 20 0 GDADMN C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571141563 952634131 /nfs/dbraw/zinc/63/41/31/952634131.db2.gz IJGNGWXIWLUMIH-VXGBXAGGSA-N 0 1 378.502 1.273 20 0 GDADMN C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571141563 952634134 /nfs/dbraw/zinc/63/41/34/952634134.db2.gz IJGNGWXIWLUMIH-VXGBXAGGSA-N 0 1 378.502 1.273 20 0 GDADMN Cc1nnccc1C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571141586 952634505 /nfs/dbraw/zinc/63/45/05/952634505.db2.gz IQYDZWLTHHPHLU-INIZCTEOSA-N 0 1 378.440 1.360 20 0 GDADMN Cc1ccc(S(=O)(=O)NCCN2CCCC(C)(C)C2)c(-c2nn[nH]n2)c1 ZINC001571141940 952636828 /nfs/dbraw/zinc/63/68/28/952636828.db2.gz LDZRWVHLTPFPIM-UHFFFAOYSA-N 0 1 378.502 1.575 20 0 GDADMN Cc1c[nH]cc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571148211 952665452 /nfs/dbraw/zinc/66/54/52/952665452.db2.gz VOPLBLQAXAIUQO-KGLIPLIRSA-N 0 1 379.428 1.177 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571156050 952700622 /nfs/dbraw/zinc/70/06/22/952700622.db2.gz BTYKCFSYXKASOZ-MLGOLLRUSA-N 0 1 379.428 1.034 20 0 GDADMN O=C(C1C=CC=CC=C1)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571165381 952749742 /nfs/dbraw/zinc/74/97/42/952749742.db2.gz CJJSTODHQOAZFD-KRWDZBQOSA-N 0 1 380.427 1.995 20 0 GDADMN Cc1c[nH]nc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571169475 952774127 /nfs/dbraw/zinc/77/41/27/952774127.db2.gz DQZDJVPTLCJIQF-OAHLLOKOSA-N 0 1 380.456 1.683 20 0 GDADMN Cc1c[nH]nc1C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571169931 952780697 /nfs/dbraw/zinc/78/06/97/952780697.db2.gz QZSWHHRSJCXRLB-CJNGLKHVSA-N 0 1 380.456 1.681 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c(C)n1C ZINC001571170890 952789109 /nfs/dbraw/zinc/78/91/09/952789109.db2.gz YRTIBJBCRMLFTF-AWEZNQCLSA-N 0 1 380.456 1.534 20 0 GDADMN Cc1ncccc1CN1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC001571172073 952801461 /nfs/dbraw/zinc/80/14/61/952801461.db2.gz LONUUCBYVOJIII-BLLLJJGKSA-N 0 1 380.456 1.681 20 0 GDADMN O=C(NCc1ncc(Br)s1)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001571172533 952806594 /nfs/dbraw/zinc/80/65/94/952806594.db2.gz WJNGYVIUUIJIIP-UHFFFAOYSA-N 0 1 381.215 1.721 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172553 952807922 /nfs/dbraw/zinc/80/79/22/952807922.db2.gz XBLINWRFQBXCTR-RYUDHWBXSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172553 952807928 /nfs/dbraw/zinc/80/79/28/952807928.db2.gz XBLINWRFQBXCTR-RYUDHWBXSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172553 952807931 /nfs/dbraw/zinc/80/79/31/952807931.db2.gz XBLINWRFQBXCTR-RYUDHWBXSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172553 952807936 /nfs/dbraw/zinc/80/79/36/952807936.db2.gz XBLINWRFQBXCTR-RYUDHWBXSA-N 0 1 380.543 1.960 20 0 GDADMN C[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)c1cccnc1 ZINC001571178242 952838061 /nfs/dbraw/zinc/83/80/61/952838061.db2.gz CGUQYFQAACPPDD-SJKOYZFVSA-N 0 1 381.415 1.651 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cccnc2)CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571178518 952841826 /nfs/dbraw/zinc/84/18/26/952841826.db2.gz LLYCHJXRHZPISB-PXAZEXFGSA-N 0 1 381.415 1.794 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)Cc3ccco3)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180197 952859626 /nfs/dbraw/zinc/85/96/26/952859626.db2.gz MJSCNZKTNIUPFN-ZIAGYGMSSA-N 0 1 381.440 1.879 20 0 GDADMN Cc1nocc1C(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180620 952861260 /nfs/dbraw/zinc/86/12/60/952861260.db2.gz RAJYGBODNNAKMT-SWLSCSKDSA-N 0 1 381.440 1.946 20 0 GDADMN Cc1ccc(CC(=O)N[C@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571180947 952861389 /nfs/dbraw/zinc/86/13/89/952861389.db2.gz RQDKEWGJDOPPBO-KBPBESRZSA-N 0 1 381.440 1.667 20 0 GDADMN Cc1ccc(CC(=O)N[C@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571180949 952861604 /nfs/dbraw/zinc/86/16/04/952861604.db2.gz RQDKEWGJDOPPBO-KGLIPLIRSA-N 0 1 381.440 1.667 20 0 GDADMN Cn1cccc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571183160 952874274 /nfs/dbraw/zinc/87/42/74/952874274.db2.gz QOMKBFBJEJHGFM-HALDLXJZSA-N 0 1 381.415 1.205 20 0 GDADMN CN(C(=O)Cc1ccn[nH]1)C1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001571185065 952900009 /nfs/dbraw/zinc/90/00/09/952900009.db2.gz IDHMFHMUBPGZTF-UHFFFAOYSA-N 0 1 381.444 1.409 20 0 GDADMN Cc1nc[nH]c1C(=O)N1CCC[C@H](C)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571186832 952909090 /nfs/dbraw/zinc/90/90/90/952909090.db2.gz ZZSTXLIERPHSBT-NHYWBVRUSA-N 0 1 381.444 1.068 20 0 GDADMN Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)[nH]1 ZINC001571188347 952913122 /nfs/dbraw/zinc/91/31/22/952913122.db2.gz IZSQPNDIJQZRCT-OLZOCXBDSA-N 0 1 381.444 1.034 20 0 GDADMN O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C1 ZINC001571188594 952917325 /nfs/dbraw/zinc/91/73/25/952917325.db2.gz DYNBCDRKNOPGPH-OKILXGFUSA-N 0 1 381.465 1.527 20 0 GDADMN O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571188594 952917330 /nfs/dbraw/zinc/91/73/30/952917330.db2.gz DYNBCDRKNOPGPH-OKILXGFUSA-N 0 1 381.465 1.527 20 0 GDADMN O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571188594 952917334 /nfs/dbraw/zinc/91/73/34/952917334.db2.gz DYNBCDRKNOPGPH-OKILXGFUSA-N 0 1 381.465 1.527 20 0 GDADMN O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001571188594 952917337 /nfs/dbraw/zinc/91/73/37/952917337.db2.gz DYNBCDRKNOPGPH-OKILXGFUSA-N 0 1 381.465 1.527 20 0 GDADMN O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001571188594 952917343 /nfs/dbraw/zinc/91/73/43/952917343.db2.gz DYNBCDRKNOPGPH-OKILXGFUSA-N 0 1 381.465 1.527 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3ccnn3C(C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189331 952927768 /nfs/dbraw/zinc/92/77/68/952927768.db2.gz VBWQAADIGCHETJ-JOCQHMNTSA-N 0 1 381.444 1.142 20 0 GDADMN C[C@H](C(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001571194518 952964023 /nfs/dbraw/zinc/96/40/23/952964023.db2.gz OHUOMFKTAUBRFR-XCBNKYQSSA-N 0 1 382.306 1.254 20 0 GDADMN Cc1c(F)cccc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571196485 952982114 /nfs/dbraw/zinc/98/21/14/952982114.db2.gz KZYFCUKFDLQDNF-LBPRGKRZSA-N 0 1 382.403 1.243 20 0 GDADMN Cc1cc(F)cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c1 ZINC001571197432 952989870 /nfs/dbraw/zinc/98/98/70/952989870.db2.gz ZVGLYBZJZXANRN-BXUZGUMPSA-N 0 1 382.403 1.241 20 0 GDADMN CC1(C)CN(c2ccncc2-c2nn[nH]n2)CC[C@H]1NC(=O)Cc1ccon1 ZINC001571199758 953004381 /nfs/dbraw/zinc/00/43/81/953004381.db2.gz BJQJDHDJDYZMCG-OAHLLOKOSA-N 0 1 382.428 1.214 20 0 GDADMN Cc1cnoc1C(=O)N1CCC(C)(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571201665 953019300 /nfs/dbraw/zinc/01/93/00/953019300.db2.gz MNOMJTGOPXUPTM-UHFFFAOYSA-N 0 1 382.428 1.395 20 0 GDADMN Cc1nc(C(=O)N[C@H](C)[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)co1 ZINC001571202732 953027809 /nfs/dbraw/zinc/02/78/09/953027809.db2.gz XNNISHVCTPONGJ-DGCLKSJQSA-N 0 1 382.428 1.593 20 0 GDADMN Cc1nocc1C(=O)N[C@@H]1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202672 953028350 /nfs/dbraw/zinc/02/83/50/953028350.db2.gz XLAZJIINOKMXPV-QWHCGFSZSA-N 0 1 382.428 1.442 20 0 GDADMN Cc1conc1C(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001571202849 953028596 /nfs/dbraw/zinc/02/85/96/953028596.db2.gz ZNKXBDQNALTQTB-SWLSCSKDSA-N 0 1 382.428 1.475 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H](CNCc2coc(C3CC3)n2)C1 ZINC001571204571 953030115 /nfs/dbraw/zinc/03/01/15/953030115.db2.gz AAEGPKUAHDCPQX-LLVKDONJSA-N 0 1 382.428 1.312 20 0 GDADMN Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571206907 953057151 /nfs/dbraw/zinc/05/71/51/953057151.db2.gz SRAGDAQIXKYUFC-JOCQHMNTSA-N 0 1 382.428 1.442 20 0 GDADMN Cc1nocc1CN1CC[C@@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 ZINC001571207064 953058948 /nfs/dbraw/zinc/05/89/48/953058948.db2.gz VMXMIVZQXMCIAI-YJBOKZPZSA-N 0 1 382.428 1.418 20 0 GDADMN Cc1nc(C)c(CN2CCC3(CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)C2)o1 ZINC001571207220 953060625 /nfs/dbraw/zinc/06/06/25/953060625.db2.gz XLFJULRMGRHSNJ-UHFFFAOYSA-N 0 1 382.428 1.148 20 0 GDADMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C1CC2(CC2)C1 ZINC001571210156 953070343 /nfs/dbraw/zinc/07/03/43/953070343.db2.gz MRLNLVBTUSAGTE-IAGOWNOFSA-N 0 1 382.468 1.372 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001571212279 953085709 /nfs/dbraw/zinc/08/57/09/953085709.db2.gz KLJPEYOLWXTMSN-YUELXQCFSA-N 0 1 382.472 1.663 20 0 GDADMN CC1(C)CC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571213604 953096588 /nfs/dbraw/zinc/09/65/88/953096588.db2.gz SDTBDWMWODHNJU-GSPSYOTPSA-N 0 1 382.472 1.709 20 0 GDADMN Cc1nc(C(=O)N[C@@H]2[C@H]3CN(Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)co1 ZINC001571217617 953109168 /nfs/dbraw/zinc/10/91/68/953109168.db2.gz OXTCNAYZPBMQSJ-FOLVSLTJSA-N 0 1 383.387 1.162 20 0 GDADMN O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C12CCC(CC1)C2 ZINC001571218477 953115140 /nfs/dbraw/zinc/11/51/40/953115140.db2.gz OXRSLUPVQHZDHA-SHYRYGCCSA-N 0 1 382.472 1.570 20 0 GDADMN O=C(N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CCCCC1 ZINC001571218823 953119623 /nfs/dbraw/zinc/11/96/23/953119623.db2.gz RSKUDOFXKAFJJB-IFXJQAMLSA-N 0 1 382.472 1.855 20 0 GDADMN Cc1oc(C(C)C)nc1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571228406 953163846 /nfs/dbraw/zinc/16/38/46/953163846.db2.gz OUICVJPEESKSRJ-UHFFFAOYSA-N 0 1 383.416 1.039 20 0 GDADMN CC1(C)CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1NC(=O)c1cc[nH]c1 ZINC001571229333 953169255 /nfs/dbraw/zinc/16/92/55/953169255.db2.gz CGXXGUMFMOTXNA-MRXNPFEDSA-N 0 1 383.431 1.974 20 0 GDADMN Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571230641 953178693 /nfs/dbraw/zinc/17/86/93/953178693.db2.gz ZEQCZHCFCVOKNX-AWEZNQCLSA-N 0 1 383.431 1.894 20 0 GDADMN Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 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CN(CCCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])CC[NH+](C)C ZINC001598224635 990910496 /nfs/dbraw/zinc/91/04/96/990910496.db2.gz RAPDXSVQYZTXHO-UHFFFAOYSA-N 0 1 399.538 1.761 20 0 GDADMN CN(C)CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001598231674 990940356 /nfs/dbraw/zinc/94/03/56/990940356.db2.gz WDKVVMFDGCHFEK-UHFFFAOYSA-N 0 1 392.500 1.317 20 0 GDADMN C[NH+](C)Cc1cnc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)s1 ZINC001598254082 991054962 /nfs/dbraw/zinc/05/49/62/991054962.db2.gz UYVWTHUIZJDZOI-UHFFFAOYSA-N 0 1 397.522 1.494 20 0 GDADMN CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC001598285884 991184003 /nfs/dbraw/zinc/18/40/03/991184003.db2.gz SEELDMIYRXXMQF-MJEQTWJJSA-N 0 1 395.481 1.061 20 0 GDADMN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001599699105 991191469 /nfs/dbraw/zinc/19/14/69/991191469.db2.gz VJKCAMXGYHUDKF-LDNFRZNASA-N 0 1 376.453 1.684 20 0 GDADMN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC001598298389 991231953 /nfs/dbraw/zinc/23/19/53/991231953.db2.gz KILSZVRRSGDZDD-OAHLLOKOSA-N 0 1 378.473 1.809 20 0 GDADMN CC(C)[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1nnc2ccccn21 ZINC001591007990 991274995 /nfs/dbraw/zinc/27/49/95/991274995.db2.gz SXGQEVNDFZUGHF-PBHICJAKSA-N 0 1 388.472 1.617 20 0 GDADMN COc1ccccc1N1CC[C@@H]([NH+]2CCC(O)(C3(C(=O)[O-])CCC3)CC2)C1=O ZINC001599713587 991414508 /nfs/dbraw/zinc/41/45/08/991414508.db2.gz PKOIOHWPSXOMIK-MRXNPFEDSA-N 0 1 388.464 1.882 20 0 GDADMN C[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598384924 991600115 /nfs/dbraw/zinc/60/01/15/991600115.db2.gz OUOUBBBJGPYJII-UHFFFAOYSA-N 0 1 377.441 1.740 20 0 GDADMN C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598384924 991600122 /nfs/dbraw/zinc/60/01/22/991600122.db2.gz OUOUBBBJGPYJII-UHFFFAOYSA-N 0 1 377.441 1.740 20 0 GDADMN C[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598397776 991677612 /nfs/dbraw/zinc/67/76/12/991677612.db2.gz SNPJEDAIPGQJHN-UHFFFAOYSA-N 0 1 384.392 1.802 20 0 GDADMN C[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598397776 991677613 /nfs/dbraw/zinc/67/76/13/991677613.db2.gz SNPJEDAIPGQJHN-UHFFFAOYSA-N 0 1 384.392 1.802 20 0 GDADMN C[N@@H+](C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)[O-])[C@@H]1CCSC1 ZINC001598437582 991847689 /nfs/dbraw/zinc/84/76/89/991847689.db2.gz UXASQPPNTXRBMT-CABCVRRESA-N 0 1 377.466 1.748 20 0 GDADMN CC(C)C[C@@H](NC(=O)C[N@H+](C)CCn1cc(Br)cn1)C(=O)[O-] ZINC001591162103 991920174 /nfs/dbraw/zinc/92/01/74/991920174.db2.gz SCJYKPXYIDWQNE-GFCCVEGCSA-N 0 1 375.267 1.193 20 0 GDADMN CC(C)C[C@@H](NC(=O)C[N@@H+](C)CCn1cc(Br)cn1)C(=O)[O-] ZINC001591162103 991920181 /nfs/dbraw/zinc/92/01/81/991920181.db2.gz SCJYKPXYIDWQNE-GFCCVEGCSA-N 0 1 375.267 1.193 20 0 GDADMN C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598469641 992006144 /nfs/dbraw/zinc/00/61/44/992006144.db2.gz GWMIGAZUBKTCGB-UHFFFAOYSA-N 0 1 391.346 1.360 20 0 GDADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+](C)CCCn1ccnc1 ZINC001598485653 992202224 /nfs/dbraw/zinc/20/22/24/992202224.db2.gz UMSINTHTVCYPCS-SFHVURJKSA-N 0 1 383.452 1.940 20 0 GDADMN C[N@@H+](CCNS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)CC(=O)[O-] ZINC001598494116 992339675 /nfs/dbraw/zinc/33/96/75/992339675.db2.gz NCANSGMZVIHJKZ-UHFFFAOYSA-N 0 1 389.886 1.758 20 0 GDADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001591357022 992351646 /nfs/dbraw/zinc/35/16/46/992351646.db2.gz QJULESWEXHHRIA-GJZGRUSLSA-N 0 1 378.477 1.301 20 0 GDADMN C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001598499734 992417748 /nfs/dbraw/zinc/41/77/48/992417748.db2.gz VLHLZLWWKCWRKF-RMKNXTFCSA-N 0 1 380.422 1.536 20 0 GDADMN CC(C)CNC(=O)c1cccc(C[N@@H+](CCN2CCOCC2)CC(=O)[O-])c1 ZINC001591378824 992418987 /nfs/dbraw/zinc/41/89/87/992418987.db2.gz TZIBIMAWRWTMMW-UHFFFAOYSA-N 0 1 377.485 1.291 20 0 GDADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)C1CC1 ZINC001598527525 992739038 /nfs/dbraw/zinc/73/90/38/992739038.db2.gz PINNLOFCQJYFJG-QZTJIDSGSA-N 0 1 385.464 1.303 20 0 GDADMN C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CF)C(=O)[O-] ZINC001598529001 992754916 /nfs/dbraw/zinc/75/49/16/992754916.db2.gz RRPVYXZEKZLACR-LSDHHAIUSA-N 0 1 397.447 1.551 20 0 GDADMN CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc(CC(=O)[O-])cs2)[C@H](c2cnn(C)c2)C1 ZINC001591611853 992866412 /nfs/dbraw/zinc/86/64/12/992866412.db2.gz UEABWRAHWWAFLY-GJZGRUSLSA-N 0 1 391.497 1.956 20 0 GDADMN CC(C)N1CC[C@H]([N@H+]2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)C1=O ZINC001591617394 992878921 /nfs/dbraw/zinc/87/89/21/992878921.db2.gz DULZMIRXBPKVOY-LTWWHTJUSA-N 0 1 380.485 1.750 20 0 GDADMN CC(C)N1CC[NH+](CCC(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)CC1 ZINC001591629532 992923104 /nfs/dbraw/zinc/92/31/04/992923104.db2.gz CKFKBTCQSWTQMZ-BZSNNMDCSA-N 0 1 381.517 1.273 20 0 GDADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC001598555684 993054038 /nfs/dbraw/zinc/05/40/38/993054038.db2.gz SBTYEJMWJKPTJR-WIYYLYMNSA-N 0 1 385.464 1.958 20 0 GDADMN C[N@H+]1C[C@H](OC(=O)C2(c3cncc(Br)c3)CC2)C[C@@]1(C)C(=O)[O-] ZINC001598569027 993176112 /nfs/dbraw/zinc/17/61/12/993176112.db2.gz GSVGGTUDLGBLGB-DOMZBBRYSA-N 0 1 383.242 1.966 20 0 GDADMN C[N@H+]1C[C@H](OC(=O)CCC(=O)N2CCc3sccc3C2)C[C@]1(C)C(=O)[O-] ZINC001598571524 993203941 /nfs/dbraw/zinc/20/39/41/993203941.db2.gz CZHPCSGQHLBPFL-FZKQIMNGSA-N 0 1 380.466 1.504 20 0 GDADMN C[N@H+]1C[C@@H](OC(=O)CCC(=O)N2CCOc3ccccc32)C[C@@]1(C)C(=O)[O-] ZINC001598576301 993281682 /nfs/dbraw/zinc/28/16/82/993281682.db2.gz XXWASHUAEGILBS-DJJJIMSYSA-N 0 1 376.409 1.283 20 0 GDADMN Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cn1 ZINC001598579448 993320746 /nfs/dbraw/zinc/32/07/46/993320746.db2.gz XTENESWNTXEGAV-DAYGRLMNSA-N 0 1 384.436 1.334 20 0 GDADMN Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)cn1 ZINC001598580574 993333867 /nfs/dbraw/zinc/33/38/67/993333867.db2.gz MBYAHRZFSQOGJF-FUHWJXTLSA-N 0 1 398.463 1.575 20 0 GDADMN CN(C(=O)Cn1ccc(C(=O)[O-])n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001598583777 993354343 /nfs/dbraw/zinc/35/43/43/993354343.db2.gz LVBWHFAJUQXSAB-ZWKOTPCHSA-N 0 1 391.516 1.377 20 0 GDADMN C[N@@H+]1CC[C@H](NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC001598588233 993415232 /nfs/dbraw/zinc/41/52/32/993415232.db2.gz TYTKDMSXOASWKF-FGTMMUONSA-N 0 1 380.510 1.648 20 0 GDADMN C[N@H+]1CC[C@H](NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC001598588233 993415235 /nfs/dbraw/zinc/41/52/35/993415235.db2.gz TYTKDMSXOASWKF-FGTMMUONSA-N 0 1 380.510 1.648 20 0 GDADMN CN1CC[C@H]([NH2+]Cc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC001598588233 993415238 /nfs/dbraw/zinc/41/52/38/993415238.db2.gz TYTKDMSXOASWKF-FGTMMUONSA-N 0 1 380.510 1.648 20 0 GDADMN CN1CCC[C@@H]([N@H+]2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)[O-])C2)C1=O ZINC001598595994 993506927 /nfs/dbraw/zinc/50/69/27/993506927.db2.gz GORFDLSEEIPGSU-ZYKCCNLVSA-N 0 1 381.473 1.297 20 0 GDADMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)Nc3nc(CCC(=O)[O-])cs3)CC2)C1 ZINC001598597046 993520999 /nfs/dbraw/zinc/52/09/99/993520999.db2.gz XYFCGIYCGNWSAY-CQSZACIVSA-N 0 1 381.502 1.404 20 0 GDADMN C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001598597338 993525456 /nfs/dbraw/zinc/52/54/56/993525456.db2.gz CPGFZBNNVRFFRT-WDEREUQCSA-N 0 1 380.470 1.139 20 0 GDADMN C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)C2)C1 ZINC001598599715 993558236 /nfs/dbraw/zinc/55/82/36/993558236.db2.gz XPWOAHNNQDPRFP-OAQYLSRUSA-N 0 1 385.464 1.214 20 0 GDADMN C[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C)c1cn(-c2ccccc2)nn1 ZINC001593062248 993574691 /nfs/dbraw/zinc/57/46/91/993574691.db2.gz GRXGIRPYGPENSP-CABCVRRESA-N 0 1 386.456 1.519 20 0 GDADMN C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001598602562 993580996 /nfs/dbraw/zinc/58/09/96/993580996.db2.gz FGSLVBWTFCAHEC-IAGOWNOFSA-N 0 1 394.903 1.887 20 0 GDADMN C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001598602589 993582416 /nfs/dbraw/zinc/58/24/16/993582416.db2.gz GLOFUNRDIXWKSH-LLVKDONJSA-N 0 1 385.367 1.178 20 0 GDADMN C[N@H+]1CCCN(c2ccc(NC(=O)COCc3ocnc3C(=O)[O-])cc2)CC1 ZINC001598602676 993584415 /nfs/dbraw/zinc/58/44/15/993584415.db2.gz KFWSEMSPDODEMU-UHFFFAOYSA-N 0 1 388.424 1.670 20 0 GDADMN C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598602964 993592060 /nfs/dbraw/zinc/59/20/60/993592060.db2.gz YIZWBERBWGUNLI-NSHDSACASA-N 0 1 377.260 1.520 20 0 GDADMN C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)C[C@H](C(=O)[O-])C1 ZINC001598605592 993648840 /nfs/dbraw/zinc/64/88/40/993648840.db2.gz BLDKCFHUBRDQNC-GDBMZVCRSA-N 0 1 378.448 1.452 20 0 GDADMN C[N@H+]1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc32)C[C@H](C(=O)[O-])C1 ZINC001598606120 993661407 /nfs/dbraw/zinc/66/14/07/993661407.db2.gz URHAPZVBKDZFBC-OCCSQVGLSA-N 0 1 389.481 1.135 20 0 GDADMN 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377.474 1.244 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000821970828 599410469 /nfs/dbraw/zinc/41/04/69/599410469.db2.gz SXMDBVYXXJKSKG-UWVGGRQHSA-N 0 1 377.474 1.244 20 0 GDADMN Cn1c(CCN2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)nc2ccccc21 ZINC000737593237 599445649 /nfs/dbraw/zinc/44/56/49/599445649.db2.gz RMKKYHCPZBTWJN-UHFFFAOYSA-N 0 1 389.467 1.513 20 0 GDADMN O=C(NCCCC1CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000738056963 599456386 /nfs/dbraw/zinc/45/63/86/599456386.db2.gz XSHKKOLOYODTBH-UHFFFAOYSA-N 0 1 386.460 1.754 20 0 GDADMN NC(=O)c1ccc(CN2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000822885138 599479198 /nfs/dbraw/zinc/47/91/98/599479198.db2.gz IWHCUCMKJGNPHO-UHFFFAOYSA-N 0 1 381.415 1.427 20 0 GDADMN COc1cc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)cc(OC)c1OC ZINC000737046385 599482744 /nfs/dbraw/zinc/48/27/44/599482744.db2.gz CFTMGKMHSDXYBB-UHFFFAOYSA-N 0 1 395.423 1.830 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)CCc2cccn2C)cc1-c1nn[nH]n1 ZINC000821971142 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CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])co2)C1 ZINC000736283607 599850174 /nfs/dbraw/zinc/85/01/74/599850174.db2.gz NOLWHGOSTMJIBH-ZDUSSCGKSA-N 0 1 395.456 1.831 20 0 GDADMN C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000736722767 599861756 /nfs/dbraw/zinc/86/17/56/599861756.db2.gz DPUNQOUXTUHSQE-AWEZNQCLSA-N 0 1 377.441 1.481 20 0 GDADMN C[C@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000736791178 599878010 /nfs/dbraw/zinc/87/80/10/599878010.db2.gz BZEVXMKXADZXHA-HUUCEWRRSA-N 0 1 375.469 1.879 20 0 GDADMN C[N@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@H](CO)c1ccccc1 ZINC000737392811 599885442 /nfs/dbraw/zinc/88/54/42/599885442.db2.gz HZVOYOVKSBYDJW-WOJBJXKFSA-N 0 1 395.459 1.945 20 0 GDADMN C[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@H](CO)c1ccccc1 ZINC000737392811 599885445 /nfs/dbraw/zinc/88/54/45/599885445.db2.gz HZVOYOVKSBYDJW-WOJBJXKFSA-N 0 1 395.459 1.945 20 0 GDADMN CN1CC[NH+](Cc2ccc(CNC(=O)NCCSCC(=O)[O-])cc2)CC1 ZINC000737528321 599897991 /nfs/dbraw/zinc/89/79/91/599897991.db2.gz DQKVZKOJJHISOA-UHFFFAOYSA-N 0 1 380.514 1.051 20 0 GDADMN CC(C)[C@H](CNC(=O)NCCOc1ccc(C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000736350846 599941499 /nfs/dbraw/zinc/94/14/99/599941499.db2.gz AQIMBXUNRBITSF-KRWDZBQOSA-N 0 1 379.457 1.420 20 0 GDADMN C[C@H](C[N@H+](CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC000736579613 599952726 /nfs/dbraw/zinc/95/27/26/599952726.db2.gz UJVXANKADJLQEL-CJNGLKHVSA-N 0 1 386.514 1.130 20 0 GDADMN C[C@H](C[N@@H+](CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C1CC1)C(=O)[O-] ZINC000736579613 599952727 /nfs/dbraw/zinc/95/27/27/599952727.db2.gz UJVXANKADJLQEL-CJNGLKHVSA-N 0 1 386.514 1.130 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000737868680 599954175 /nfs/dbraw/zinc/95/41/75/599954175.db2.gz VUDMPIBOIGTCQJ-IRXDYDNUSA-N 0 1 378.469 1.693 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1CN1CCCC1 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ZINC000826022353 607907230 /nfs/dbraw/zinc/90/72/30/607907230.db2.gz KPPWHDSYWQMOOT-CYBMUJFWSA-N 0 1 394.476 1.358 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000826425595 607957773 /nfs/dbraw/zinc/95/77/73/607957773.db2.gz KPROFLFQXAYWJF-UHFFFAOYSA-N 0 1 388.395 1.012 20 0 GDADMN CCc1c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)[nH]c(C)c1C(C)=O ZINC000825687901 608020201 /nfs/dbraw/zinc/02/02/01/608020201.db2.gz NUCXICAJEFIABU-UHFFFAOYSA-N 0 1 399.459 1.396 20 0 GDADMN CCc1c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)[nH]c(C)c1C(C)=O ZINC000825687901 608020202 /nfs/dbraw/zinc/02/02/02/608020202.db2.gz NUCXICAJEFIABU-UHFFFAOYSA-N 0 1 399.459 1.396 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2csc(C)n2)c1-c1nnn[n-]1 ZINC000826077353 608021836 /nfs/dbraw/zinc/02/18/36/608021836.db2.gz FIXQAYKQZPSVMI-UHFFFAOYSA-N 0 1 389.489 1.468 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2csc(C)n2)c1-c1nn[n-]n1 ZINC000826077353 608021837 /nfs/dbraw/zinc/02/18/37/608021837.db2.gz FIXQAYKQZPSVMI-UHFFFAOYSA-N 0 1 389.489 1.468 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000825934749 608036976 /nfs/dbraw/zinc/03/69/76/608036976.db2.gz RLDIKPPJQYJFKN-HNNXBMFYSA-N 0 1 395.471 1.232 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000825934749 608036977 /nfs/dbraw/zinc/03/69/77/608036977.db2.gz RLDIKPPJQYJFKN-HNNXBMFYSA-N 0 1 395.471 1.232 20 0 GDADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826431425 608076068 /nfs/dbraw/zinc/07/60/68/608076068.db2.gz AMLDWJDEFJRJQT-LSDHHAIUSA-N 0 1 398.492 1.541 20 0 GDADMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826431425 608076069 /nfs/dbraw/zinc/07/60/69/608076069.db2.gz AMLDWJDEFJRJQT-LSDHHAIUSA-N 0 1 398.492 1.541 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000825739761 608108426 /nfs/dbraw/zinc/10/84/26/608108426.db2.gz JETIYHGRSPXZKO-GFCCVEGCSA-N 0 1 384.444 1.974 20 0 GDADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824992226 608150893 /nfs/dbraw/zinc/15/08/93/608150893.db2.gz KWNXWDMMPRDSLB-TZMCWYRMSA-N 0 1 376.896 1.377 20 0 GDADMN C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824992226 608150894 /nfs/dbraw/zinc/15/08/94/608150894.db2.gz KWNXWDMMPRDSLB-TZMCWYRMSA-N 0 1 376.896 1.377 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](CCO)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826229575 608194082 /nfs/dbraw/zinc/19/40/82/608194082.db2.gz JHOPZFJPCXFSJF-ZDUSSCGKSA-N 0 1 386.437 1.543 20 0 GDADMN O=C(CN1CCC(Cc2cccnc2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410216 608209492 /nfs/dbraw/zinc/20/94/92/608209492.db2.gz GTLLBKYVUBYWJX-UHFFFAOYSA-N 0 1 391.479 1.833 20 0 GDADMN CN(C)[C@@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cn1)c1cccc(F)c1 ZINC000825848251 608215742 /nfs/dbraw/zinc/21/57/42/608215742.db2.gz AVTXOWWKPSXSGI-HNNXBMFYSA-N 0 1 384.419 1.232 20 0 GDADMN Cc1ccc([C@@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)N2CCCC2)o1 ZINC000826284178 608221568 /nfs/dbraw/zinc/22/15/68/608221568.db2.gz MHXLBVSICGUEKE-OAHLLOKOSA-N 0 1 396.455 1.528 20 0 GDADMN Nc1nc(-n2cccn2)cc(N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000826396100 608234935 /nfs/dbraw/zinc/23/49/35/608234935.db2.gz HEXVHLTYFAAQTR-AWEZNQCLSA-N 0 1 390.411 1.003 20 0 GDADMN COCC[N@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158077 608258728 /nfs/dbraw/zinc/25/87/28/608258728.db2.gz YWAQLLSDQGPTMM-UHFFFAOYSA-N 0 1 396.451 1.563 20 0 GDADMN COCC[N@@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158077 608258731 /nfs/dbraw/zinc/25/87/31/608258731.db2.gz YWAQLLSDQGPTMM-UHFFFAOYSA-N 0 1 396.451 1.563 20 0 GDADMN C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825860001 608342362 /nfs/dbraw/zinc/34/23/62/608342362.db2.gz JTUXSJNMGYHZGL-UHFFFAOYSA-N 0 1 396.492 1.748 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000825870426 608408169 /nfs/dbraw/zinc/40/81/69/608408169.db2.gz LWTUOOFQASWRAO-UHFFFAOYSA-N 0 1 398.475 1.330 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000825870426 608408170 /nfs/dbraw/zinc/40/81/70/608408170.db2.gz LWTUOOFQASWRAO-UHFFFAOYSA-N 0 1 398.475 1.330 20 0 GDADMN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000826389511 608436049 /nfs/dbraw/zinc/43/60/49/608436049.db2.gz ADJUWAVXLVPXID-QGZVFWFLSA-N 0 1 392.467 1.333 20 0 GDADMN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000826389511 608436051 /nfs/dbraw/zinc/43/60/51/608436051.db2.gz ADJUWAVXLVPXID-QGZVFWFLSA-N 0 1 392.467 1.333 20 0 GDADMN COc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826209843 608469516 /nfs/dbraw/zinc/46/95/16/608469516.db2.gz SWFWAJRDXAXUHY-LBPRGKRZSA-N 0 1 395.423 1.874 20 0 GDADMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824761951 608503898 /nfs/dbraw/zinc/50/38/98/608503898.db2.gz DHNIKXAPMCIXNN-JTQLQIEISA-N 0 1 378.483 1.769 20 0 GDADMN CS(=O)(=O)C[C@H](NCCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000826222082 608553540 /nfs/dbraw/zinc/55/35/40/608553540.db2.gz HZZSLHLRINADCA-INIZCTEOSA-N 0 1 387.465 1.621 20 0 GDADMN CS(=O)(=O)C[C@H](NC[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826222526 608553981 /nfs/dbraw/zinc/55/39/81/608553981.db2.gz ZSQISVCGDLYAHQ-IRXDYDNUSA-N 0 1 387.465 1.276 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000826232966 608594810 /nfs/dbraw/zinc/59/48/10/608594810.db2.gz OMSMAWCGMCHMSY-UHFFFAOYSA-N 0 1 399.499 1.604 20 0 GDADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826443179 609226197 /nfs/dbraw/zinc/22/61/97/609226197.db2.gz DQOGPWRPMDYGSM-HNNXBMFYSA-N 0 1 394.370 1.141 20 0 GDADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826443179 609226198 /nfs/dbraw/zinc/22/61/98/609226198.db2.gz DQOGPWRPMDYGSM-HNNXBMFYSA-N 0 1 394.370 1.141 20 0 GDADMN Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)nn1-c1cc(C)cc(C)c1 ZINC000826263625 609264724 /nfs/dbraw/zinc/26/47/24/609264724.db2.gz KQBVTOJREHKUDV-UHFFFAOYSA-N 0 1 378.400 1.208 20 0 GDADMN CC[C@@H](C)Oc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)ccn1 ZINC000825075255 609267127 /nfs/dbraw/zinc/26/71/27/609267127.db2.gz NPYYGBIMNRGJSK-LLVKDONJSA-N 0 1 399.459 1.566 20 0 GDADMN CC[C@@H](C)Oc1cc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)ccn1 ZINC000825075255 609267128 /nfs/dbraw/zinc/26/71/28/609267128.db2.gz NPYYGBIMNRGJSK-LLVKDONJSA-N 0 1 399.459 1.566 20 0 GDADMN CC1(C)C[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C(C)(C)O1 ZINC000824790706 609330574 /nfs/dbraw/zinc/33/05/74/609330574.db2.gz PGPROJKZMQYBMI-LLVKDONJSA-N 0 1 387.412 1.769 20 0 GDADMN CCOC(=O)c1cc(NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000825560717 609351206 /nfs/dbraw/zinc/35/12/06/609351206.db2.gz WGCDQMNXRADKTL-OAHLLOKOSA-N 0 1 399.411 1.809 20 0 GDADMN CCOC(=O)c1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000825559611 609351226 /nfs/dbraw/zinc/35/12/26/609351226.db2.gz JJHIHYFJTRFVKD-CQSZACIVSA-N 0 1 396.411 1.374 20 0 GDADMN CC(=O)NC[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2Br)C1 ZINC000823994318 609358210 /nfs/dbraw/zinc/35/82/10/609358210.db2.gz FQXPVXXDELIYBE-GFCCVEGCSA-N 0 1 393.289 1.977 20 0 GDADMN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825444803 609363410 /nfs/dbraw/zinc/36/34/10/609363410.db2.gz REQSZEUYRVAMIS-YPMHNXCESA-N 0 1 399.434 1.653 20 0 GDADMN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825444803 609363412 /nfs/dbraw/zinc/36/34/12/609363412.db2.gz REQSZEUYRVAMIS-YPMHNXCESA-N 0 1 399.434 1.653 20 0 GDADMN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825444802 609363779 /nfs/dbraw/zinc/36/37/79/609363779.db2.gz REQSZEUYRVAMIS-WCQYABFASA-N 0 1 399.434 1.653 20 0 GDADMN CC[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825444802 609363781 /nfs/dbraw/zinc/36/37/81/609363781.db2.gz REQSZEUYRVAMIS-WCQYABFASA-N 0 1 399.434 1.653 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826345550 609472812 /nfs/dbraw/zinc/47/28/12/609472812.db2.gz NLXAAFZDOFWMJL-CJNGLKHVSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826345550 609472814 /nfs/dbraw/zinc/47/28/14/609472814.db2.gz NLXAAFZDOFWMJL-CJNGLKHVSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826345550 609472817 /nfs/dbraw/zinc/47/28/17/609472817.db2.gz NLXAAFZDOFWMJL-CJNGLKHVSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826345550 609472820 /nfs/dbraw/zinc/47/28/20/609472820.db2.gz NLXAAFZDOFWMJL-CJNGLKHVSA-N 0 1 395.467 1.732 20 0 GDADMN CCN(CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395268 609514501 /nfs/dbraw/zinc/51/45/01/609514501.db2.gz MXOGBYGUICHKGH-ZDUSSCGKSA-N 0 1 388.472 1.708 20 0 GDADMN CNC(=O)NCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 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Cc1nocc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281652 945811010 /nfs/dbraw/zinc/81/10/10/945811010.db2.gz KUEKTNSQFUXJCF-GFCCVEGCSA-N 0 1 387.469 1.867 20 0 GDADMN Cc1nocc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281652 945811022 /nfs/dbraw/zinc/81/10/22/945811022.db2.gz KUEKTNSQFUXJCF-GFCCVEGCSA-N 0 1 387.469 1.867 20 0 GDADMN Cc1nocc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281652 945811033 /nfs/dbraw/zinc/81/10/33/945811033.db2.gz KUEKTNSQFUXJCF-GFCCVEGCSA-N 0 1 387.469 1.867 20 0 GDADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571281786 945811813 /nfs/dbraw/zinc/81/18/13/945811813.db2.gz NTHPWVVKLLHNMU-GXFFZTMASA-N 0 1 387.473 1.219 20 0 GDADMN Cc1nnc(CN[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)s1 ZINC001571282260 945834915 /nfs/dbraw/zinc/83/49/15/945834915.db2.gz WDXCNYZJIQURSF-CMPLNLGQSA-N 0 1 387.473 1.043 20 0 GDADMN CCc1nc(C(=O)NC[C@H]2CCCN2Cc2ccc(-c3nn[nH]n3)s2)co1 ZINC001571282432 945840924 /nfs/dbraw/zinc/84/09/24/945840924.db2.gz YIKOIDPZGVDZKA-LLVKDONJSA-N 0 1 387.469 1.873 20 0 GDADMN CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571282788 945862044 /nfs/dbraw/zinc/86/20/44/945862044.db2.gz QYGMLDJHUYXOBP-BBRMVZONSA-N 0 1 387.463 1.893 20 0 GDADMN CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571282788 945862054 /nfs/dbraw/zinc/86/20/54/945862054.db2.gz QYGMLDJHUYXOBP-BBRMVZONSA-N 0 1 387.463 1.893 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@H]1Cc2ccccc21 ZINC001571282980 945869536 /nfs/dbraw/zinc/86/95/36/945869536.db2.gz XGERWXDAFSNQQX-UOVPBQLFSA-N 0 1 387.447 1.400 20 0 GDADMN Cc1ncc(C(=O)N2C[C@H](C)[C@H](Nc3ncc(-c4nn[nH]n4)cc3Cl)C2)[nH]1 ZINC001571283392 945882643 /nfs/dbraw/zinc/88/26/43/945882643.db2.gz DXUMBPISKLYREQ-ISVAXAHUSA-N 0 1 387.835 1.519 20 0 GDADMN CC[C@@H](C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1)[NH+](C)C ZINC001571284859 945905347 /nfs/dbraw/zinc/90/53/47/945905347.db2.gz VCIZOOWOXGGCQI-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@@H](C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1)[NH+](C)C ZINC001571284859 945905350 /nfs/dbraw/zinc/90/53/50/945905350.db2.gz VCIZOOWOXGGCQI-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nn[nH]n4)cc3F)C2)CC[N@H+]1C ZINC001571289459 946006945 /nfs/dbraw/zinc/00/69/45/946006945.db2.gz FCEZJWWWRQSLSR-MHDGFBEUSA-N 0 1 388.451 1.048 20 0 GDADMN COc1ccc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)o1 ZINC001571289925 946023942 /nfs/dbraw/zinc/02/39/42/946023942.db2.gz PWMIHWBYYIKLBH-NSHDSACASA-N 0 1 388.453 1.924 20 0 GDADMN COc1ccc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)o1 ZINC001571289925 946023951 /nfs/dbraw/zinc/02/39/51/946023951.db2.gz PWMIHWBYYIKLBH-NSHDSACASA-N 0 1 388.453 1.924 20 0 GDADMN O=S(=O)(c1ccc(F)cc1-c1nn[nH]n1)N1CCc2nc[nH]c2C12CCC2 ZINC001571292323 946094133 /nfs/dbraw/zinc/09/41/33/946094133.db2.gz XQIMZUFBPAUVHU-UHFFFAOYSA-N 0 1 389.416 1.355 20 0 GDADMN O=C(Cc1ccccc1)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571294657 946140619 /nfs/dbraw/zinc/14/06/19/946140619.db2.gz KWNDDMTYSFXQBB-NSHDSACASA-N 0 1 389.872 1.914 20 0 GDADMN Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571298568 946222021 /nfs/dbraw/zinc/22/20/21/946222021.db2.gz BAZIZRUPYAFBBI-RTXFEEFZSA-N 0 1 390.517 1.232 20 0 GDADMN Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571298568 946222033 /nfs/dbraw/zinc/22/20/33/946222033.db2.gz BAZIZRUPYAFBBI-RTXFEEFZSA-N 0 1 390.517 1.232 20 0 GDADMN Cc1cc(N2CC[C@@]3(NC(=O)c4cccnc4)CCC[C@@H]23)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298858 946229368 /nfs/dbraw/zinc/22/93/68/946229368.db2.gz LAOXQZHWOVCMCR-XLIONFOSSA-N 0 1 390.451 1.897 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571298863 946234071 /nfs/dbraw/zinc/23/40/71/946234071.db2.gz FRFHKBJLSXETSF-JHJVBQTASA-N 0 1 390.517 1.375 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571298863 946234079 /nfs/dbraw/zinc/23/40/79/946234079.db2.gz FRFHKBJLSXETSF-JHJVBQTASA-N 0 1 390.517 1.375 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001571299238 946242601 /nfs/dbraw/zinc/24/26/01/946242601.db2.gz PPHVBTCPTMOFKB-HOTGVXAUSA-N 0 1 390.451 1.849 20 0 GDADMN O=C(c1csnn1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299340 946245196 /nfs/dbraw/zinc/24/51/96/946245196.db2.gz LESSLMNBQINOKU-SNVBAGLBSA-N 0 1 390.498 1.422 20 0 GDADMN O=C(c1csnn1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299340 946245208 /nfs/dbraw/zinc/24/52/08/946245208.db2.gz LESSLMNBQINOKU-SNVBAGLBSA-N 0 1 390.498 1.422 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3ncc(Cl)s3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299361 946248403 /nfs/dbraw/zinc/24/84/03/946248403.db2.gz LQJZNEIEJZLSQN-VIFPVBQESA-N 0 1 390.860 1.429 20 0 GDADMN O=C(NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1scnc1Cl ZINC001571299958 946267345 /nfs/dbraw/zinc/26/73/45/946267345.db2.gz SGDSFSFZAOHJMT-UHFFFAOYSA-N 0 1 390.860 1.414 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ncccc1OCC1CCCCC1 ZINC000823136278 946327741 /nfs/dbraw/zinc/32/77/41/946327741.db2.gz SIIOFRIPAZMDFN-UHFFFAOYSA-N 0 1 383.416 1.451 20 0 GDADMN CN(C)c1ccc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC001571306774 946408882 /nfs/dbraw/zinc/40/88/82/946408882.db2.gz PQJJZYZTHLAXJV-GOSISDBHSA-N 0 1 391.479 1.937 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571307232 946420134 /nfs/dbraw/zinc/42/01/34/946420134.db2.gz AFUJHDYEDKIIPL-GHMZBOCLSA-N 0 1 392.414 1.020 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC001571307918 946426575 /nfs/dbraw/zinc/42/65/75/946426575.db2.gz JYKYODUNGDENGT-KSSFIOAISA-N 0 1 392.410 1.754 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571308091 946429829 /nfs/dbraw/zinc/42/98/29/946429829.db2.gz MFSMXYDVBSKRBP-QWRGUYRKSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571308091 946429833 /nfs/dbraw/zinc/42/98/33/946429833.db2.gz MFSMXYDVBSKRBP-QWRGUYRKSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@H](NC(=O)c1cccc(-c2nn[nH]n2)c1Br)C1=NN(C)CC1=O ZINC001571308382 946432781 /nfs/dbraw/zinc/43/27/81/946432781.db2.gz PHOPKNQIORJQFI-ZETCQYMHSA-N 0 1 392.217 1.559 20 0 GDADMN O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2)c1ccccc1O ZINC001571309506 946446954 /nfs/dbraw/zinc/44/69/54/946446954.db2.gz CBJIUQSSHYAYGB-AVGNSLFASA-N 0 1 392.423 1.150 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ocnc1C1CC1 ZINC001571309814 946455062 /nfs/dbraw/zinc/45/50/62/946455062.db2.gz LOBVWUYYEGZENX-DEZZGGKRSA-N 0 1 392.423 1.239 20 0 GDADMN O=C(CC1CC(F)(F)C1)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571309899 946457211 /nfs/dbraw/zinc/45/72/11/946457211.db2.gz PACWBRSQGFWSME-VXGBXAGGSA-N 0 1 392.414 1.353 20 0 GDADMN O=C(N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)s1)C2)[C@]1(F)CCOC1 ZINC001571310295 946468403 /nfs/dbraw/zinc/46/84/03/946468403.db2.gz ARUUQEFGJMEQHX-KRWDZBQOSA-N 0 1 392.460 1.091 20 0 GDADMN O=C(N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)C2)[C@]1(F)CCOC1 ZINC001571310295 946468413 /nfs/dbraw/zinc/46/84/13/946468413.db2.gz ARUUQEFGJMEQHX-KRWDZBQOSA-N 0 1 392.460 1.091 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C(=O)OC(C)C)cc1-c1nn[nH]n1 ZINC001571310371 946471970 /nfs/dbraw/zinc/47/19/70/946471970.db2.gz DEBPIIUGJMPLCF-NSHDSACASA-N 0 1 392.441 1.245 20 0 GDADMN C[C@H](C(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)n1cccc1 ZINC001571310811 946479580 /nfs/dbraw/zinc/47/95/80/946479580.db2.gz NQESFYFDKRNBBM-QRWLVFNGSA-N 0 1 392.467 1.753 20 0 GDADMN C[C@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571313999 946539431 /nfs/dbraw/zinc/53/94/31/946539431.db2.gz YPLUPFUHRCTBLO-GJZGRUSLSA-N 0 1 392.467 1.218 20 0 GDADMN Cc1ccc(C)c(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315845 946560719 /nfs/dbraw/zinc/56/07/19/946560719.db2.gz PHHITYSDDNNRQC-OAHLLOKOSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1ccc(C(=O)NC[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC001571316055 946563070 /nfs/dbraw/zinc/56/30/70/946563070.db2.gz SPVUQOLJVNWOJQ-MLGOLLRUSA-N 0 1 392.467 1.776 20 0 GDADMN Cc1cnc(C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571316409 946577514 /nfs/dbraw/zinc/57/75/14/946577514.db2.gz BVIVVQOYQATJDW-MRXNPFEDSA-N 0 1 392.467 1.559 20 0 GDADMN Cc1cncc(CC(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571316549 946580231 /nfs/dbraw/zinc/58/02/31/946580231.db2.gz GANKFNLVYNQLAD-FZKQIMNGSA-N 0 1 392.467 1.197 20 0 GDADMN Cn1nc(C2CC2)cc1C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316585 946582812 /nfs/dbraw/zinc/58/28/12/946582812.db2.gz HGMPEEVABUDEND-UHFFFAOYSA-N 0 1 392.467 1.339 20 0 GDADMN CC[C@H](C(=O)N1CC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317522 946614066 /nfs/dbraw/zinc/61/40/66/946614066.db2.gz LFEXWLMLVOPOMS-QWHCGFSZSA-N 0 1 392.533 1.622 20 0 GDADMN CC(C)[C@@H](O)C1(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000824199624 946617910 /nfs/dbraw/zinc/61/79/10/946617910.db2.gz KHVDGVVTMQUBTL-CYBMUJFWSA-N 0 1 387.412 1.220 20 0 GDADMN O=C(NC[C@H]1C[C@@H](NCc2ncc(Cl)s2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571317802 946621292 /nfs/dbraw/zinc/62/12/92/946621292.db2.gz VZPUGWBIKBCVFH-WAAGHKOSSA-N 0 1 392.876 1.603 20 0 GDADMN C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824412690 946693354 /nfs/dbraw/zinc/69/33/54/946693354.db2.gz DTFKEDWTAIALSH-AWEZNQCLSA-N 0 1 386.481 1.666 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824868936 946963356 /nfs/dbraw/zinc/96/33/56/946963356.db2.gz XSPOXVZDTQRJJL-QAPCUYQASA-N 0 1 384.484 1.716 20 0 GDADMN CC[C@@](C)(CC(=O)OC)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825043383 947059955 /nfs/dbraw/zinc/05/99/55/947059955.db2.gz GUJZJNWYIJZNNF-HNNXBMFYSA-N 0 1 380.430 1.151 20 0 GDADMN CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C[C@@H]1O ZINC000825210195 947120706 /nfs/dbraw/zinc/12/07/06/947120706.db2.gz FWBJGPIGENMTFW-JQWIXIFHSA-N 0 1 376.486 1.448 20 0 GDADMN CC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C[C@@H]1O ZINC000825210195 947120713 /nfs/dbraw/zinc/12/07/13/947120713.db2.gz FWBJGPIGENMTFW-JQWIXIFHSA-N 0 1 376.486 1.448 20 0 GDADMN C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3F)C2)C1 ZINC000326883402 971340021 /nfs/dbraw/zinc/34/00/21/971340021.db2.gz HCGGHUWWAGABRX-HNNXBMFYSA-N 0 1 376.837 1.894 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573594363 947392468 /nfs/dbraw/zinc/39/24/68/947392468.db2.gz YJNDIBKGFXYGLT-JTQLQIEISA-N 0 1 383.378 1.887 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001573594831 947409128 /nfs/dbraw/zinc/40/91/28/947409128.db2.gz CTDCGPPQBRGCAY-RYUDHWBXSA-N 0 1 390.469 1.234 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001573594831 947409134 /nfs/dbraw/zinc/40/91/34/947409134.db2.gz CTDCGPPQBRGCAY-RYUDHWBXSA-N 0 1 390.469 1.234 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573595125 947415026 /nfs/dbraw/zinc/41/50/26/947415026.db2.gz FPDGEYTWPDLTHU-ZBFHGGJFSA-N 0 1 380.456 1.357 20 0 GDADMN C[C@H](C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1)n1cnc(-c2nn[nH]n2)n1 ZINC001573602904 947474635 /nfs/dbraw/zinc/47/46/35/947474635.db2.gz BIEQDRMPZSRJML-LLVKDONJSA-N 0 1 378.400 1.068 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)c1cccnc1 ZINC001573613795 947571732 /nfs/dbraw/zinc/57/17/32/947571732.db2.gz IZNYJFXGOHPIJH-SUMWQHHRSA-N 0 1 392.467 1.531 20 0 GDADMN C=Cc1ccc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573350350 947594819 /nfs/dbraw/zinc/59/48/19/947594819.db2.gz AMTYPEKEGRAQOW-HNNXBMFYSA-N 0 1 376.424 1.438 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573615286 947604782 /nfs/dbraw/zinc/60/47/82/947604782.db2.gz DAMWKASDQYUUEI-VXGBXAGGSA-N 0 1 384.469 1.559 20 0 GDADMN C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573351062 947607720 /nfs/dbraw/zinc/60/77/20/947607720.db2.gz JGZWLBKMQJWFRP-IUODEOHRSA-N 0 1 376.424 1.294 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573351810 947618913 /nfs/dbraw/zinc/61/89/13/947618913.db2.gz RQKXDUDQOOKIPF-OAHLLOKOSA-N 0 1 376.424 1.651 20 0 GDADMN C=Cc1ccc(C(=O)N(C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC001573352117 947625218 /nfs/dbraw/zinc/62/52/18/947625218.db2.gz VMQNZMMYEIWDJW-MRXNPFEDSA-N 0 1 390.451 1.684 20 0 GDADMN C=Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573355094 947641409 /nfs/dbraw/zinc/64/14/09/947641409.db2.gz MJDSGCMKKSFASP-OAHLLOKOSA-N 0 1 376.424 1.438 20 0 GDADMN C=Cc1ccc(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC001573355389 947643776 /nfs/dbraw/zinc/64/37/76/947643776.db2.gz OVQJQDDUJAZPHJ-OAHLLOKOSA-N 0 1 376.424 1.342 20 0 GDADMN C[C@@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573619586 947667000 /nfs/dbraw/zinc/66/70/00/947667000.db2.gz VVDBISCXWFAYNB-CQSZACIVSA-N 0 1 392.467 1.533 20 0 GDADMN C/C(=C/C(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573361797 947695816 /nfs/dbraw/zinc/69/58/16/947695816.db2.gz DXJZGFPQKRMUBQ-QBFSEMIESA-N 0 1 382.472 1.736 20 0 GDADMN CC(=O)CCCC(=O)N(C)C1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573363336 947711803 /nfs/dbraw/zinc/71/18/03/947711803.db2.gz BWEDAGABWNBYTC-UHFFFAOYSA-N 0 1 385.472 1.624 20 0 GDADMN CC(C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)=C1CCCC1 ZINC001573627328 947718952 /nfs/dbraw/zinc/71/89/52/947718952.db2.gz AAOYQZVAZGFJOG-HNNXBMFYSA-N 0 1 382.472 1.762 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573367473 947760052 /nfs/dbraw/zinc/76/00/52/947760052.db2.gz DAYCNZGRUJHZQD-MLGOLLRUSA-N 0 1 388.447 1.844 20 0 GDADMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC000826265835 947769122 /nfs/dbraw/zinc/76/91/22/947769122.db2.gz PIQYEUFQMNVBIL-UHFFFAOYSA-N 0 1 391.432 1.606 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573369821 947776447 /nfs/dbraw/zinc/77/64/47/947776447.db2.gz XKAAAWIQVWEJPA-BXUZGUMPSA-N 0 1 376.486 1.624 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573369821 947776453 /nfs/dbraw/zinc/77/64/53/947776453.db2.gz XKAAAWIQVWEJPA-BXUZGUMPSA-N 0 1 376.486 1.624 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1C ZINC001573369860 947778043 /nfs/dbraw/zinc/77/80/43/947778043.db2.gz YMHFRBWJSUBDGX-WCQYABFASA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001573369860 947778053 /nfs/dbraw/zinc/77/80/53/947778053.db2.gz YMHFRBWJSUBDGX-WCQYABFASA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001573374091 947804845 /nfs/dbraw/zinc/80/48/45/947804845.db2.gz MLMIUXGWFGJUCT-HIFRSBDPSA-N 0 1 385.472 1.339 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573637951 947829461 /nfs/dbraw/zinc/82/94/61/947829461.db2.gz WYJWTSJTZRJFRD-ZJUUUORDSA-N 0 1 384.366 1.070 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573376312 947835015 /nfs/dbraw/zinc/83/50/15/947835015.db2.gz YIXCXGGBLSSNIC-HNNXBMFYSA-N 0 1 385.472 1.757 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573376313 947835084 /nfs/dbraw/zinc/83/50/84/947835084.db2.gz YIXCXGGBLSSNIC-OAHLLOKOSA-N 0 1 385.472 1.757 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573381379 947873070 /nfs/dbraw/zinc/87/30/70/947873070.db2.gz UKUNHFWTSXXDJH-QMMMGPOBSA-N 0 1 385.881 1.900 20 0 GDADMN Cc1onc(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343091 947987142 /nfs/dbraw/zinc/98/71/42/947987142.db2.gz LSZCRYFIXNQJCE-OAHLLOKOSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343091 947987145 /nfs/dbraw/zinc/98/71/45/947987145.db2.gz LSZCRYFIXNQJCE-OAHLLOKOSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343885 947997041 /nfs/dbraw/zinc/99/70/41/947997041.db2.gz PXRJRJOMKUZPJY-AWEZNQCLSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343885 947997046 /nfs/dbraw/zinc/99/70/46/947997046.db2.gz PXRJRJOMKUZPJY-AWEZNQCLSA-N 0 1 395.467 1.829 20 0 GDADMN C[C@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1)C1CCC1 ZINC001573664660 948057040 /nfs/dbraw/zinc/05/70/40/948057040.db2.gz WFJNUMUXXMLDIC-ZDUSSCGKSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573667320 948096280 /nfs/dbraw/zinc/09/62/80/948096280.db2.gz YYKXKLIYBKLUQM-UKRRQHHQSA-N 0 1 384.488 1.958 20 0 GDADMN Cn1cc(CN2CCC[C@@H]2C(=O)NC2CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360686 948124992 /nfs/dbraw/zinc/12/49/92/948124992.db2.gz UHUVDHMYWQNAHU-QGZVFWFLSA-N 0 1 392.467 1.510 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@H](C)c1cccs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573678992 948156144 /nfs/dbraw/zinc/15/61/44/948156144.db2.gz HGGJVKRCPQIVNE-VXGBXAGGSA-N 0 1 386.485 1.497 20 0 GDADMN N=C(NOCCOc1ccccc1-c1nn[nH]n1)[C@@H]1COc2ccccc2O1 ZINC000826388332 948194108 /nfs/dbraw/zinc/19/41/08/948194108.db2.gz SCSYUHNEIOGVJK-INIZCTEOSA-N 0 1 382.380 1.584 20 0 GDADMN CC(=O)N1CC[C@H](OC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)c2ccccc21 ZINC001573439654 948250490 /nfs/dbraw/zinc/25/04/90/948250490.db2.gz NXOFWJOOMLAFEU-YGRLFVJLSA-N 0 1 382.384 1.060 20 0 GDADMN C[C@H](C(=O)NC[C@@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573696149 948318702 /nfs/dbraw/zinc/31/87/02/948318702.db2.gz LONSHXYIDWKIJA-BUXKBTBVSA-N 0 1 388.447 1.105 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C(C)(F)F ZINC001573696379 948323665 /nfs/dbraw/zinc/32/36/65/948323665.db2.gz PBQNHWMPQOTOBY-XRRVDJEJSA-N 0 1 377.399 1.351 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573702547 948347413 /nfs/dbraw/zinc/34/74/13/948347413.db2.gz FDBZRDWGZCVOCY-CHWSQXEVSA-N 0 1 382.428 1.386 20 0 GDADMN O=S(=O)(Nc1ccccc1-c1nn[nH]n1)c1ccccc1Cn1cncn1 ZINC000826492954 948406122 /nfs/dbraw/zinc/40/61/22/948406122.db2.gz MXQWYONPRLNABE-UHFFFAOYSA-N 0 1 382.409 1.307 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1)C1CC1 ZINC001573708702 948457580 /nfs/dbraw/zinc/45/75/80/948457580.db2.gz XIILOGQVZHNZQA-RDTXWAMCSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573708891 948461506 /nfs/dbraw/zinc/46/15/06/948461506.db2.gz YHSPWITXTZGRAI-AWEZNQCLSA-N 0 1 380.456 1.445 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573714295 948470498 /nfs/dbraw/zinc/47/04/98/948470498.db2.gz FLLWRIZKYXMACP-KBPBESRZSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573717063 948504374 /nfs/dbraw/zinc/50/43/74/948504374.db2.gz BDDRLFUAEMTDPJ-LLVKDONJSA-N 0 1 384.469 1.607 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C(F)(F)F ZINC001573729865 948573640 /nfs/dbraw/zinc/57/36/40/948573640.db2.gz VOBCWXMHADZVKC-KXUCPTDWSA-N 0 1 384.366 1.044 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573751543 948703227 /nfs/dbraw/zinc/70/32/27/948703227.db2.gz BDVVTDDJVSRINV-ATGSNQNLSA-N 0 1 382.472 1.709 20 0 GDADMN CC(C)c1cccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574416730 948758624 /nfs/dbraw/zinc/75/86/24/948758624.db2.gz FPRXJXGRYCZQOB-LBPRGKRZSA-N 0 1 381.444 1.430 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575224318 948780728 /nfs/dbraw/zinc/78/07/28/948780728.db2.gz TWRKZUSKAWTLKJ-LLVKDONJSA-N 0 1 392.414 1.307 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1C ZINC001574080149 948787163 /nfs/dbraw/zinc/78/71/63/948787163.db2.gz IGTQKGJVMRDPEA-LYRGGWFBSA-N 0 1 378.427 1.936 20 0 GDADMN CC(C)[C@@H](F)C(=O)NCCN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574080483 948796474 /nfs/dbraw/zinc/79/64/74/948796474.db2.gz MBLWKKCHSMDETI-QGZVFWFLSA-N 0 1 389.479 1.095 20 0 GDADMN C[C@@H](CNC(=O)CCCn1cccn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917945 948827156 /nfs/dbraw/zinc/82/71/56/948827156.db2.gz CXDHJLDOTJIHTM-ZDUSSCGKSA-N 0 1 388.501 1.542 20 0 GDADMN C[C@@H](CNC(=O)CCCn1cccn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917945 948827174 /nfs/dbraw/zinc/82/71/74/948827174.db2.gz CXDHJLDOTJIHTM-ZDUSSCGKSA-N 0 1 388.501 1.542 20 0 GDADMN CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001574081464 948831508 /nfs/dbraw/zinc/83/15/08/948831508.db2.gz SWNDVJIMGYBVJZ-IOASZLSFSA-N 0 1 375.452 1.834 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574684024 948855381 /nfs/dbraw/zinc/85/53/81/948855381.db2.gz AFSUNHNEWIGOKC-IUCAKERBSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574684024 948855402 /nfs/dbraw/zinc/85/54/02/948855402.db2.gz AFSUNHNEWIGOKC-IUCAKERBSA-N 0 1 384.897 1.378 20 0 GDADMN CC(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cs1 ZINC001574425753 948882681 /nfs/dbraw/zinc/88/26/81/948882681.db2.gz MUOFLLXHBZYMBL-MGCOHNPYSA-N 0 1 385.457 1.031 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C1=COCCO1 ZINC001574684921 948896999 /nfs/dbraw/zinc/89/69/99/948896999.db2.gz PEGZTFKYRAGQEU-ZETCQYMHSA-N 0 1 385.837 1.172 20 0 GDADMN CC(C)(C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573765234 948902415 /nfs/dbraw/zinc/90/24/15/948902415.db2.gz XEGGCPLBKIXPJV-UHFFFAOYSA-N 0 1 392.467 1.459 20 0 GDADMN CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001574088332 948918077 /nfs/dbraw/zinc/91/80/77/948918077.db2.gz AWTZSRRHZQKUKF-ZJOBFFGXSA-N 0 1 385.472 1.194 20 0 GDADMN CC(C)(C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573771319 948939433 /nfs/dbraw/zinc/93/94/33/948939433.db2.gz GCBWRPNFCPRONT-UHFFFAOYSA-N 0 1 392.467 1.363 20 0 GDADMN CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001574090258 948978626 /nfs/dbraw/zinc/97/86/26/948978626.db2.gz MKBJWUNXLLMKGC-IDLUEMFASA-N 0 1 381.484 1.839 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573773631 948989750 /nfs/dbraw/zinc/98/97/50/948989750.db2.gz NZSJGSXBFAWZRP-AWEZNQCLSA-N 0 1 384.488 1.221 20 0 GDADMN CC(C)c1noc(CCNC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)n1 ZINC001574439231 949002207 /nfs/dbraw/zinc/00/22/07/949002207.db2.gz DCPUURVGCWPORG-UHFFFAOYSA-N 0 1 383.825 1.847 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573774502 949013745 /nfs/dbraw/zinc/01/37/45/949013745.db2.gz SVZOKHYFYWCQBH-CYBMUJFWSA-N 0 1 387.463 1.575 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1)[NH+](C)C ZINC001574694601 949080906 /nfs/dbraw/zinc/08/09/06/949080906.db2.gz SLXGHFYBADWSFN-LRDDRELGSA-N 0 1 377.468 1.851 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573781035 949099389 /nfs/dbraw/zinc/09/93/89/949099389.db2.gz APDBKTGJPXHQMR-OTVXOJSOSA-N 0 1 392.467 1.363 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575253151 949181511 /nfs/dbraw/zinc/18/15/11/949181511.db2.gz SSNSJCGYGBYICN-CHWSQXEVSA-N 0 1 387.488 1.442 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC001575854020 949224571 /nfs/dbraw/zinc/22/45/71/949224571.db2.gz QTHUBCYUFBJNOC-UHFFFAOYSA-N 0 1 382.403 1.325 20 0 GDADMN C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001575517328 949230061 /nfs/dbraw/zinc/23/00/61/949230061.db2.gz VDLXJHHQYXEYTQ-BXUZGUMPSA-N 0 1 382.403 1.382 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574940611 949266129 /nfs/dbraw/zinc/26/61/29/949266129.db2.gz HMOJPCGOPNWUMJ-LLVKDONJSA-N 0 1 387.394 1.781 20 0 GDADMN C[C@H](CNC(=O)Cc1ccccc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574940554 949269024 /nfs/dbraw/zinc/26/90/24/949269024.db2.gz GXSCXUZXSRIDDV-GFCCVEGCSA-N 0 1 386.406 1.982 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(C2CCCCC2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702371 949280408 /nfs/dbraw/zinc/28/04/08/949280408.db2.gz HVXHENRVAKZTEI-ZDUSSCGKSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)CC(=O)N1CCC[C@](CO)(NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109268 949316887 /nfs/dbraw/zinc/31/68/87/949316887.db2.gz WJLIFEHOROOKCX-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574941818 949320037 /nfs/dbraw/zinc/32/00/37/949320037.db2.gz SZZSLEHSMCVCKV-CYBMUJFWSA-N 0 1 392.467 1.718 20 0 GDADMN CC1=C(C)C[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)CC1 ZINC001575861520 949325331 /nfs/dbraw/zinc/32/53/31/949325331.db2.gz SXLYHFMDPFPGDE-RBSFLKMASA-N 0 1 382.472 1.734 20 0 GDADMN C[C@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576154230 949327465 /nfs/dbraw/zinc/32/74/65/949327465.db2.gz OGOJMZWYJAKWGC-DJJJIMSYSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574703924 949358931 /nfs/dbraw/zinc/35/89/31/949358931.db2.gz HUQFGJIICARNCB-ZDUSSCGKSA-N 0 1 387.463 1.893 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704211 949377883 /nfs/dbraw/zinc/37/78/83/949377883.db2.gz AZFKJJVMZDJSOX-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)n1ccc(CN[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574460673 949377991 /nfs/dbraw/zinc/37/79/91/949377991.db2.gz WUAAVFXASWIFOH-OAHLLOKOSA-N 0 1 383.460 1.367 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704492 949386765 /nfs/dbraw/zinc/38/67/65/949386765.db2.gz NLIAKYTVPZZHGE-TTZDDIAXSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C)CN(C(=O)[C@]2(C)CC=CCC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575527946 949386896 /nfs/dbraw/zinc/38/68/96/949386896.db2.gz KEDABIQKVACUQF-BFUOFWGJSA-N 0 1 382.472 1.474 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704423 949388942 /nfs/dbraw/zinc/38/89/42/949388942.db2.gz CFPWSZCYXCKMOR-MLGOLLRUSA-N 0 1 376.436 1.511 20 0 GDADMN C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574704446 949389989 /nfs/dbraw/zinc/38/99/89/949389989.db2.gz CMLMOEFEGCNKMY-ZDUSSCGKSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574945485 949409810 /nfs/dbraw/zinc/40/98/10/949409810.db2.gz KSAYKGXCIGEMTO-LLVKDONJSA-N 0 1 381.444 1.023 20 0 GDADMN C[C@@H](CNC(=O)Cc1cscn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574945075 949411645 /nfs/dbraw/zinc/41/16/45/949411645.db2.gz KGLPCZCAIWHNLZ-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN C[C@@H](CNC(=O)Cc1cscn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574945075 949411656 /nfs/dbraw/zinc/41/16/56/949411656.db2.gz KGLPCZCAIWHNLZ-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)c1 ZINC001574464394 949413407 /nfs/dbraw/zinc/41/34/07/949413407.db2.gz NQHLPBGDPSEAMM-HNNXBMFYSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575264135 949415580 /nfs/dbraw/zinc/41/55/80/949415580.db2.gz LWNNTWFOKZEEMS-QWRGUYRKSA-N 0 1 380.403 1.423 20 0 GDADMN CC1(C(=O)N2CC[C@@H](CCNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575534176 949423518 /nfs/dbraw/zinc/42/35/18/949423518.db2.gz KQOMSXMPCXWHCS-CQSZACIVSA-N 0 1 385.472 1.151 20 0 GDADMN C[C@H](CN(C)C(=O)C1CCC(O)CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574705584 949429471 /nfs/dbraw/zinc/42/94/71/949429471.db2.gz IYYLSIGSIVINDK-VEAWUBTESA-N 0 1 390.463 1.493 20 0 GDADMN CC(C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)C2(C)CC2)CC1 ZINC001575534869 949436972 /nfs/dbraw/zinc/43/69/72/949436972.db2.gz RGFHDHVSIYFFJI-UHFFFAOYSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573803316 949437872 /nfs/dbraw/zinc/43/78/72/949437872.db2.gz NDXOPDFOSAZUMT-GOSISDBHSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@H]1CCC[C@@H](OCC(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001576156601 949450415 /nfs/dbraw/zinc/45/04/15/949450415.db2.gz YUAICPIWOYRCTE-UONOGXRCSA-N 0 1 385.472 1.340 20 0 GDADMN CC1(C(=O)N2CCC([C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)CC2)CC1 ZINC001575535494 949450680 /nfs/dbraw/zinc/45/06/80/949450680.db2.gz XOQWWANFIQYAFD-AWEZNQCLSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576157097 949474433 /nfs/dbraw/zinc/47/44/33/949474433.db2.gz PMPSHXIGPWHYLC-UONOGXRCSA-N 0 1 384.488 1.603 20 0 GDADMN C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575266444 949475065 /nfs/dbraw/zinc/47/50/65/949475065.db2.gz CZEXOVVTRBXKCG-QWRGUYRKSA-N 0 1 380.403 1.423 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)CCOC1 ZINC001575537168 949487850 /nfs/dbraw/zinc/48/78/50/949487850.db2.gz SHRUIZKHTBHRIK-RMLUDKJBSA-N 0 1 383.865 1.416 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575870611 949490872 /nfs/dbraw/zinc/49/08/72/949490872.db2.gz VVBYHINPJHVOHA-MNOVXSKESA-N 0 1 392.414 1.566 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnco1 ZINC001576158517 949500026 /nfs/dbraw/zinc/50/00/26/949500026.db2.gz TXMJPAOOTNCTOT-XIKOKIGWSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001576159049 949511536 /nfs/dbraw/zinc/51/15/36/949511536.db2.gz WBUNAUZGZSFCDA-KGLIPLIRSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574122097 949521047 /nfs/dbraw/zinc/52/10/47/949521047.db2.gz VHSPPKCLOGLYPG-MRXNPFEDSA-N 0 1 392.467 1.750 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCC(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001576163598 949538514 /nfs/dbraw/zinc/53/85/14/949538514.db2.gz CGMHNLWYUISMQM-GUYCJALGSA-N 0 1 390.463 1.807 20 0 GDADMN C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575269249 949540461 /nfs/dbraw/zinc/54/04/61/949540461.db2.gz SMVMPVZVZZHOPW-ZFWWWQNUSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575269247 949544597 /nfs/dbraw/zinc/54/45/97/949544597.db2.gz SMVMPVZVZZHOPW-UKRRQHHQSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956161 949571949 /nfs/dbraw/zinc/57/19/49/949571949.db2.gz GKWHXBYULJJYAY-FEUBFEEPSA-N 0 1 388.497 1.288 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956161 949571970 /nfs/dbraw/zinc/57/19/70/949571970.db2.gz GKWHXBYULJJYAY-FEUBFEEPSA-N 0 1 388.497 1.288 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCO1 ZINC001573811725 949603677 /nfs/dbraw/zinc/60/36/77/949603677.db2.gz NCICTOBVFOQXHP-OCCSQVGLSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCO1 ZINC001573811725 949603693 /nfs/dbraw/zinc/60/36/93/949603693.db2.gz NCICTOBVFOQXHP-OCCSQVGLSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1csnn1 ZINC001573812880 949625321 /nfs/dbraw/zinc/62/53/21/949625321.db2.gz VRIHACHBVBUDSN-GFCCVEGCSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1csnn1 ZINC001573812880 949625335 /nfs/dbraw/zinc/62/53/35/949625335.db2.gz VRIHACHBVBUDSN-GFCCVEGCSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1cnc[nH]1 ZINC001573814277 949639036 /nfs/dbraw/zinc/63/90/36/949639036.db2.gz CQZFMPXNVHCXRC-OAHLLOKOSA-N 0 1 383.460 1.560 20 0 GDADMN C[C@@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575272436 949645348 /nfs/dbraw/zinc/64/53/48/949645348.db2.gz QRUFALZFHZNCLV-UKRRQHHQSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575547873 949648114 /nfs/dbraw/zinc/64/81/14/949648114.db2.gz IJKGRFLIDZAOQI-SJKOYZFVSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575547873 949648130 /nfs/dbraw/zinc/64/81/30/949648130.db2.gz IJKGRFLIDZAOQI-SJKOYZFVSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715466 949650807 /nfs/dbraw/zinc/65/08/07/949650807.db2.gz CYLRTRDKYLGLAX-DZGCQCFKSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273569 949664040 /nfs/dbraw/zinc/66/40/40/949664040.db2.gz WQSLRWINBQMPNE-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273569 949664057 /nfs/dbraw/zinc/66/40/57/949664057.db2.gz WQSLRWINBQMPNE-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](CC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574477722 949675377 /nfs/dbraw/zinc/67/53/77/949675377.db2.gz UMLSKHGVNCURKU-AWEZNQCLSA-N 0 1 380.456 1.745 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574958574 949681669 /nfs/dbraw/zinc/68/16/69/949681669.db2.gz LMUYLGXBEQWOPZ-CYZMBNFOSA-N 0 1 386.485 1.060 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576169718 949691276 /nfs/dbraw/zinc/69/12/76/949691276.db2.gz ZWQSIXYPLCXUIW-CXAGYDPISA-N 0 1 383.456 1.069 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574959026 949700368 /nfs/dbraw/zinc/70/03/68/949700368.db2.gz PNDFEBWIGCCFGJ-BYCMXARLSA-N 0 1 383.481 1.721 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574959026 949700394 /nfs/dbraw/zinc/70/03/94/949700394.db2.gz PNDFEBWIGCCFGJ-BYCMXARLSA-N 0 1 383.481 1.721 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(C(F)F)CC1 ZINC001573817974 949707846 /nfs/dbraw/zinc/70/78/46/949707846.db2.gz CSCVZXWYAKWVBU-LBPRGKRZSA-N 0 1 379.415 1.672 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001574133430 949709147 /nfs/dbraw/zinc/70/91/47/949709147.db2.gz DEODMVDJLPXLGM-SOUVJXGZSA-N 0 1 384.488 1.624 20 0 GDADMN C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576170737 949733462 /nfs/dbraw/zinc/73/34/62/949733462.db2.gz NVBPFVKUTXVNQU-CJNGLKHVSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170933 949744602 /nfs/dbraw/zinc/74/46/02/949744602.db2.gz OJCHOFULFMBBIJ-ZFWWWQNUSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170933 949744613 /nfs/dbraw/zinc/74/46/13/949744613.db2.gz OJCHOFULFMBBIJ-ZFWWWQNUSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H](NC(=O)CCc1ccncn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277178 949746985 /nfs/dbraw/zinc/74/69/85/949746985.db2.gz OMPFMRGIXZIAGG-CQSZACIVSA-N 0 1 392.467 1.226 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574138070 949784191 /nfs/dbraw/zinc/78/41/91/949784191.db2.gz ZUIJLXVPLZCIGZ-WLYUNCDWSA-N 0 1 386.504 1.990 20 0 GDADMN CC(C)C[C@H](C)CN1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139012 949807150 /nfs/dbraw/zinc/80/71/50/949807150.db2.gz HJMDEFQRMIEXAD-ZFWWWQNUSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574481889 949808145 /nfs/dbraw/zinc/80/81/45/949808145.db2.gz XDCOTENDSUCZAS-ZIAGYGMSSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575564165 949852604 /nfs/dbraw/zinc/85/26/04/949852604.db2.gz ODDVIUCJHFPNOH-OXQOHEQNSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574484036 949854641 /nfs/dbraw/zinc/85/46/41/949854641.db2.gz CTIZUZNXGBOXGH-OLZOCXBDSA-N 0 1 382.428 1.268 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573825172 949864954 /nfs/dbraw/zinc/86/49/54/949864954.db2.gz LLCLPEROYTYMAL-AJNFDDFZSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1cncc(-c2nn[nH]n2)n1 ZINC001576178031 949878285 /nfs/dbraw/zinc/87/82/85/949878285.db2.gz AOQOPBJFYNESPU-SMDDNHRTSA-N 0 1 382.432 1.123 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575568557 949892457 /nfs/dbraw/zinc/89/24/57/949892457.db2.gz ALOVXXDMTCSAOX-JLTOFOAXSA-N 0 1 390.451 1.256 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574484651 949894520 /nfs/dbraw/zinc/89/45/20/949894520.db2.gz LKMKLHAFKSRPJV-QWHCGFSZSA-N 0 1 382.428 1.268 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574484664 949894764 /nfs/dbraw/zinc/89/47/64/949894764.db2.gz LPNPINKIRDWYKJ-MNOVXSKESA-N 0 1 383.378 1.675 20 0 GDADMN CC1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)CCC1 ZINC001575568876 949900957 /nfs/dbraw/zinc/90/09/57/949900957.db2.gz CAWCCADQKPPRMC-QWHCGFSZSA-N 0 1 376.486 1.170 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178827 949901539 /nfs/dbraw/zinc/90/15/39/949901539.db2.gz CXDQLZDOOVKWCP-FZMZJTMJSA-N 0 1 384.469 1.493 20 0 GDADMN CCC[N@H+](CC(=O)[O-])C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001589669768 949926558 /nfs/dbraw/zinc/92/65/58/949926558.db2.gz FLGMLSVIOWAOGM-HNNXBMFYSA-N 0 1 388.386 1.964 20 0 GDADMN CC1(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CC(F)(F)C1 ZINC001575571187 949956078 /nfs/dbraw/zinc/95/60/78/949956078.db2.gz YHFMSGQCCLNGDC-UHFFFAOYSA-N 0 1 377.399 1.782 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+]([C@@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC001595280078 949967574 /nfs/dbraw/zinc/96/75/74/949967574.db2.gz MKCHQAZLMYAAPU-CRFBAAHOSA-N 0 1 380.391 1.489 20 0 GDADMN CC(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576181241 949989193 /nfs/dbraw/zinc/98/91/93/949989193.db2.gz SGIZOQVVNFWQHM-KBPBESRZSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cc2ccccc2o1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574728532 949989644 /nfs/dbraw/zinc/98/96/44/949989644.db2.gz CAVIIZSRDWMXIW-LBPRGKRZSA-N 0 1 392.423 1.326 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891286 949995306 /nfs/dbraw/zinc/99/53/06/949995306.db2.gz HIWKFDVXPHZDED-VHSXEESVSA-N 0 1 388.819 1.690 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccn[nH]1 ZINC001574150841 950042195 /nfs/dbraw/zinc/04/21/95/950042195.db2.gz FINOGBJOVYCSBJ-CQSZACIVSA-N 0 1 386.435 1.663 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CCc1ccns1 ZINC001575892237 950058719 /nfs/dbraw/zinc/05/87/19/950058719.db2.gz USWGOTROKPHBCL-DGCLKSJQSA-N 0 1 386.485 1.477 20 0 GDADMN C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182970 950074810 /nfs/dbraw/zinc/07/48/10/950074810.db2.gz OEVGIPNVRQISQZ-NEPJUHHUSA-N 0 1 379.415 1.625 20 0 GDADMN C[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183659 950097869 /nfs/dbraw/zinc/09/78/69/950097869.db2.gz RDCZXBWBZAGXRO-DZGCQCFKSA-N 0 1 385.472 1.007 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575894588 950104648 /nfs/dbraw/zinc/10/46/48/950104648.db2.gz FJRGXTIMFARJTF-KOLCDFICSA-N 0 1 388.819 1.690 20 0 GDADMN C[C@H](CC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574492854 950106803 /nfs/dbraw/zinc/10/68/03/950106803.db2.gz DGKTXYNCCKMUAE-CHWSQXEVSA-N 0 1 375.477 1.035 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N[C@H](C)c1cc(F)ccc1F ZINC001574979210 950153021 /nfs/dbraw/zinc/15/30/21/950153021.db2.gz XNNPZOFKIWYZLO-NXEZZACHSA-N 0 1 375.383 1.942 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574154287 950168330 /nfs/dbraw/zinc/16/83/30/950168330.db2.gz CTEHIIXDULYNQG-QWRGUYRKSA-N 0 1 382.419 1.313 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccncn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899529 950173195 /nfs/dbraw/zinc/17/31/95/950173195.db2.gz XLRIMUZGDLDGIR-CZUORRHYSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)(C)CCCCC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573844073 950184571 /nfs/dbraw/zinc/18/45/71/950184571.db2.gz ACCDARANGDICEC-ZDUSSCGKSA-N 0 1 375.477 1.179 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001574495213 950197238 /nfs/dbraw/zinc/19/72/38/950197238.db2.gz RNIDQBNBTPQVQL-RYUDHWBXSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@H]1[C@H](NCc2c(F)cccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901029 950214271 /nfs/dbraw/zinc/21/42/71/950214271.db2.gz KAQZEMUSDHKJDV-ZUZCIYMTSA-N 0 1 387.394 1.866 20 0 GDADMN C[C@H](CN(C)C(=O)c1c(F)ccc(F)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574739962 950215080 /nfs/dbraw/zinc/21/50/80/950215080.db2.gz AHZQRZFBUIOLKB-MRVPVSSYSA-N 0 1 392.345 1.069 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CC12CCCC2 ZINC001574156011 950217895 /nfs/dbraw/zinc/21/78/95/950217895.db2.gz UHZNQDLCVNDHHC-ZIAGYGMSSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574156209 950234431 /nfs/dbraw/zinc/23/44/31/950234431.db2.gz YXTKWTDDYYGWPV-ZIAGYGMSSA-N 0 1 383.460 1.084 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001574497973 950249685 /nfs/dbraw/zinc/24/96/85/950249685.db2.gz HKOQZLFTUXKPJR-DZGCQCFKSA-N 0 1 387.488 1.179 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2csnn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575902081 950251059 /nfs/dbraw/zinc/25/10/59/950251059.db2.gz SEFBHVVCUJPNOM-BXUZGUMPSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCCO1 ZINC001574498439 950274616 /nfs/dbraw/zinc/27/46/16/950274616.db2.gz NHOKJPBHJSGMFQ-GXTWGEPZSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905369 950290066 /nfs/dbraw/zinc/29/00/66/950290066.db2.gz BZBIVGVSAZNCQL-WCQYABFASA-N 0 1 392.485 1.160 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905369 950290090 /nfs/dbraw/zinc/29/00/90/950290090.db2.gz BZBIVGVSAZNCQL-WCQYABFASA-N 0 1 392.485 1.160 20 0 GDADMN C[C@H](CC(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574499449 950303125 /nfs/dbraw/zinc/30/31/25/950303125.db2.gz VRIQGZARWNJWBL-BFUOFWGJSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1CCC(O)CC1 ZINC001574159308 950303447 /nfs/dbraw/zinc/30/34/47/950303447.db2.gz WCIOMJZGTWQZFA-SHARSMKWSA-N 0 1 387.488 1.178 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1ccccc1 ZINC001574499955 950310190 /nfs/dbraw/zinc/31/01/90/950310190.db2.gz XPMIKHDONOIREI-CQSZACIVSA-N 0 1 392.467 1.723 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575907430 950335965 /nfs/dbraw/zinc/33/59/65/950335965.db2.gz OSXWXUQJFIEXQN-MFKMUULPSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575907430 950335985 /nfs/dbraw/zinc/33/59/85/950335985.db2.gz OSXWXUQJFIEXQN-MFKMUULPSA-N 0 1 385.453 1.422 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001573854719 950346982 /nfs/dbraw/zinc/34/69/82/950346982.db2.gz DDWHABYSBZJHSJ-QKNJOQAUSA-N 0 1 381.484 1.885 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001574501865 950347270 /nfs/dbraw/zinc/34/72/70/950347270.db2.gz HBGAFHLBISMWCO-KSSFIOAISA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccncc1F ZINC001575908623 950374012 /nfs/dbraw/zinc/37/40/12/950374012.db2.gz VUWAVISXVBLCRF-YGRLFVJLSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccncc1F ZINC001575908623 950374036 /nfs/dbraw/zinc/37/40/36/950374036.db2.gz VUWAVISXVBLCRF-YGRLFVJLSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1[C@H](NCc2ccncc2Cl)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908818 950377939 /nfs/dbraw/zinc/37/79/39/950377939.db2.gz FDFWBDNRTGBAHU-QMTHXVAHSA-N 0 1 386.847 1.636 20 0 GDADMN CC(C)n1ccc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)n1 ZINC001575909811 950408146 /nfs/dbraw/zinc/40/81/46/950408146.db2.gz IIAQJAWMXAUYRQ-WFASDCNBSA-N 0 1 383.460 1.365 20 0 GDADMN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c[nH]nc2-c2nn[nH]n2)nc1 ZINC001573861558 950448841 /nfs/dbraw/zinc/44/88/41/950448841.db2.gz AESSMCQVRGOPNG-UHFFFAOYSA-N 0 1 385.388 1.513 20 0 GDADMN CC(C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574166126 950460010 /nfs/dbraw/zinc/46/00/10/950460010.db2.gz NDMMRIIRXLGHMV-KBPBESRZSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)n1cccc1 ZINC001574508914 950489735 /nfs/dbraw/zinc/48/97/35/950489735.db2.gz QGYGDXHEPRJIFK-RBSFLKMASA-N 0 1 395.471 1.298 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001576205224 950502762 /nfs/dbraw/zinc/50/27/62/950502762.db2.gz HKRALEPOOFEHNQ-QWHCGFSZSA-N 0 1 375.452 1.289 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001576205224 950502779 /nfs/dbraw/zinc/50/27/79/950502779.db2.gz HKRALEPOOFEHNQ-QWHCGFSZSA-N 0 1 375.452 1.289 20 0 GDADMN CC(C)CCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C1 ZINC001574170039 950533152 /nfs/dbraw/zinc/53/31/52/950533152.db2.gz DPHJKNTZSKCHFE-SOUVJXGZSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575615623 950570997 /nfs/dbraw/zinc/57/09/97/950570997.db2.gz DPCVROGSADRONY-GFCCVEGCSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575918778 950602431 /nfs/dbraw/zinc/60/24/31/950602431.db2.gz FAXZHTFPEZAUFK-UGSOOPFHSA-N 0 1 389.463 1.500 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001575000874 950616308 /nfs/dbraw/zinc/61/63/08/950616308.db2.gz HLJQDFDJOSZGGE-VIFPVBQESA-N 0 1 375.795 1.707 20 0 GDADMN CC1(C)C(C(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001575620238 950625720 /nfs/dbraw/zinc/62/57/20/950625720.db2.gz UQAHGQUXOYOKLS-RYUDHWBXSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC2(CC2)CC1 ZINC001575920533 950632766 /nfs/dbraw/zinc/63/27/66/950632766.db2.gz MJMCEOOONWAROA-TZMCWYRMSA-N 0 1 382.472 1.450 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575923469 950658161 /nfs/dbraw/zinc/65/81/61/950658161.db2.gz BPFXRIDHCXAMNO-IINYFYTJSA-N 0 1 384.831 1.447 20 0 GDADMN CC(C)(C)Oc1ccccc1CNS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001573876127 950661860 /nfs/dbraw/zinc/66/18/60/950661860.db2.gz DTWZRDBYNSEGQE-UHFFFAOYSA-N 0 1 388.453 1.918 20 0 GDADMN CC1(C)CC(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@]3(C)C2)C1 ZINC001575624504 950668422 /nfs/dbraw/zinc/66/84/22/950668422.db2.gz JVLJRBYPCFFAIF-YJYMSZOUSA-N 0 1 382.472 1.378 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)CC1=O ZINC001589745058 950677968 /nfs/dbraw/zinc/67/79/68/950677968.db2.gz VTSHZVVBWGBOFF-JFIYKMOQSA-N 0 1 399.491 1.924 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc(Cl)c1 ZINC001575926270 950706453 /nfs/dbraw/zinc/70/64/53/950706453.db2.gz XELPCHRPFKTIRJ-GWCFXTLKSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575926531 950713531 /nfs/dbraw/zinc/71/35/31/950713531.db2.gz XNPJZVLXRNRURY-ABAIWWIYSA-N 0 1 382.472 1.306 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576215913 950719046 /nfs/dbraw/zinc/71/90/46/950719046.db2.gz CFIXPPPQYJCFAF-GHMZBOCLSA-N 0 1 392.414 1.020 20 0 GDADMN CC(C)CCC(=O)NC[C@@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574181269 950739027 /nfs/dbraw/zinc/73/90/27/950739027.db2.gz KMKOOGHQAMKLOQ-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575629935 950754479 /nfs/dbraw/zinc/75/44/79/950754479.db2.gz VGUJQFSRJZMGIE-LJQANCHMSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccncc1-c1nn[nH]n1 ZINC001574764798 950761849 /nfs/dbraw/zinc/76/18/49/950761849.db2.gz YRQOYOSVWIYKQE-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ncccn1 ZINC001575931093 950802156 /nfs/dbraw/zinc/80/21/56/950802156.db2.gz GTZMIBQFBAJFMP-HTQZYQBOSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574767597 950857977 /nfs/dbraw/zinc/85/79/77/950857977.db2.gz SOTKXZDZIRTLOD-SECBINFHSA-N 0 1 391.432 1.418 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576222083 950864820 /nfs/dbraw/zinc/86/48/20/950864820.db2.gz XGJIFZDORRARPS-DYVFJYSZSA-N 0 1 392.467 1.315 20 0 GDADMN CC(C)CCCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001574189747 950899164 /nfs/dbraw/zinc/89/91/64/950899164.db2.gz RKZPPLLQCDLWSQ-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576227295 950904244 /nfs/dbraw/zinc/90/42/44/950904244.db2.gz FOCXUHMAKAMYSM-QWHCGFSZSA-N 0 1 382.472 1.165 20 0 GDADMN CC(C)CCCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574190370 950912096 /nfs/dbraw/zinc/91/20/96/950912096.db2.gz XJKMNTNCWSXWOY-VIFPVBQESA-N 0 1 387.897 1.692 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)CCCCCC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576229543 950975475 /nfs/dbraw/zinc/97/54/75/950975475.db2.gz KEKCQMKJSXLOPZ-ZIAGYGMSSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccncc1-c1nn[nH]n1 ZINC001575017140 950978053 /nfs/dbraw/zinc/97/80/53/950978053.db2.gz APTULHHCTXGAQC-SNVBAGLBSA-N 0 1 388.382 1.494 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575021621 951062562 /nfs/dbraw/zinc/06/25/62/951062562.db2.gz DVPQGWUBYLGHIK-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575021623 951062595 /nfs/dbraw/zinc/06/25/95/951062595.db2.gz DVPQGWUBYLGHIK-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)CC2(CO)CC2)c(C(=O)[O-])c1C ZINC001591425366 951133724 /nfs/dbraw/zinc/13/37/24/951133724.db2.gz CCXVFBPAOYYWPW-UHFFFAOYSA-N 0 1 384.454 1.574 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)CC2(CO)CC2)c(C(=O)[O-])c1C ZINC001591425366 951133730 /nfs/dbraw/zinc/13/37/30/951133730.db2.gz CCXVFBPAOYYWPW-UHFFFAOYSA-N 0 1 384.454 1.574 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001575029737 951188897 /nfs/dbraw/zinc/18/88/97/951188897.db2.gz XCUVYVLJGURMKN-RYUDHWBXSA-N 0 1 379.424 1.237 20 0 GDADMN C[C@H](CNC(=O)c1ccnn1C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575035302 951272152 /nfs/dbraw/zinc/27/21/52/951272152.db2.gz VXZNOAAGEOGRAR-SSDOTTSWSA-N 0 1 381.853 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1ccn(C)c1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575036445 951294173 /nfs/dbraw/zinc/29/41/73/951294173.db2.gz RUYKELFWINSANR-QMMMGPOBSA-N 0 1 380.865 1.570 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ZINC001575058935 951537871 /nfs/dbraw/zinc/53/78/71/951537871.db2.gz WVFXSSHQVCKDRB-QMMMGPOBSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@H](CNC(=O)c1occ2c1CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575065283 951581361 /nfs/dbraw/zinc/58/13/61/951581361.db2.gz FXBJKHJBOJYDEG-LLVKDONJSA-N 0 1 384.415 1.996 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)C1=O ZINC001595074222 951626770 /nfs/dbraw/zinc/62/67/70/951626770.db2.gz OLZADPBHABSDJO-ZYHUDNBSSA-N 0 1 383.246 1.104 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)C1=O ZINC001595074222 951626775 /nfs/dbraw/zinc/62/67/75/951626775.db2.gz OLZADPBHABSDJO-ZYHUDNBSSA-N 0 1 383.246 1.104 20 0 GDADMN C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ncccc1[O-] ZINC001575077843 951674733 /nfs/dbraw/zinc/67/47/33/951674733.db2.gz IONZTRHDVPYEMR-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575088650 951741791 /nfs/dbraw/zinc/74/17/91/951741791.db2.gz ADFGALQLUIFKNB-ABAIWWIYSA-N 0 1 382.440 1.958 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575088650 951741800 /nfs/dbraw/zinc/74/18/00/951741800.db2.gz ADFGALQLUIFKNB-ABAIWWIYSA-N 0 1 382.440 1.958 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001575090112 951757059 /nfs/dbraw/zinc/75/70/59/951757059.db2.gz JOEJQDJCWHEYRC-QGZVFWFLSA-N 0 1 386.485 1.199 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575091936 951786542 /nfs/dbraw/zinc/78/65/42/951786542.db2.gz ZGPVAFBJSNVXJM-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098084 951820156 /nfs/dbraw/zinc/82/01/56/951820156.db2.gz AIONGODAJXCJSA-GFCCVEGCSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)CC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098084 951820163 /nfs/dbraw/zinc/82/01/63/951820163.db2.gz AIONGODAJXCJSA-GFCCVEGCSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098146 951822578 /nfs/dbraw/zinc/82/25/78/951822578.db2.gz BMPMACCDVOITOY-CHWSQXEVSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098146 951822581 /nfs/dbraw/zinc/82/25/81/951822581.db2.gz BMPMACCDVOITOY-CHWSQXEVSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNCc1nccn1C(F)F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116605 951971464 /nfs/dbraw/zinc/97/14/64/951971464.db2.gz GBSQAHLEQBSBES-SECBINFHSA-N 0 1 379.375 1.037 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@H+]2[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001602889156 971792298 /nfs/dbraw/zinc/79/22/98/971792298.db2.gz QDILCDIBIONEDA-YWZLYKJASA-N 0 1 395.500 1.928 20 0 GDADMN C[C@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001575125475 952042501 /nfs/dbraw/zinc/04/25/01/952042501.db2.gz ZGDSWMYJYXJWNQ-GOSISDBHSA-N 0 1 381.444 1.314 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575142811 952149192 /nfs/dbraw/zinc/14/91/92/952149192.db2.gz MDEABXDMYPPNBF-LLVKDONJSA-N 0 1 386.847 1.234 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(C2CCCCC2)CC1 ZINC001575143958 952159359 /nfs/dbraw/zinc/15/93/59/952159359.db2.gz SQRGAPIHAFUXKI-ZDUSSCGKSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575144293 952165281 /nfs/dbraw/zinc/16/52/81/952165281.db2.gz HOVBBJWKUNEVOS-KKSFZXQISA-N 0 1 389.463 1.720 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575144669 952168767 /nfs/dbraw/zinc/16/87/67/952168767.db2.gz KEIWVCQFERIRDH-QMMMGPOBSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575144824 952171615 /nfs/dbraw/zinc/17/16/15/952171615.db2.gz MLIQEVLPOVMFRK-ZDUSSCGKSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575145184 952180625 /nfs/dbraw/zinc/18/06/25/952180625.db2.gz RXGOESGEBZIWSQ-LRDDRELGSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575145842 952188612 /nfs/dbraw/zinc/18/86/12/952188612.db2.gz DKEYIXSXMXNARF-LLVKDONJSA-N 0 1 384.444 1.542 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575146376 952193232 /nfs/dbraw/zinc/19/32/32/952193232.db2.gz JSELYTNPLPEPLZ-LLVKDONJSA-N 0 1 382.428 1.123 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575147115 952198983 /nfs/dbraw/zinc/19/89/83/952198983.db2.gz QIBICWRWJZBVDZ-ZDUSSCGKSA-N 0 1 380.456 1.322 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575147715 952201115 /nfs/dbraw/zinc/20/11/15/952201115.db2.gz UYNVAZWFCFGUPZ-GFCCVEGCSA-N 0 1 383.460 1.208 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157650 952265787 /nfs/dbraw/zinc/26/57/87/952265787.db2.gz OBAAWMFQKGMPEB-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157650 952265793 /nfs/dbraw/zinc/26/57/93/952265793.db2.gz OBAAWMFQKGMPEB-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157650 952265800 /nfs/dbraw/zinc/26/58/00/952265800.db2.gz OBAAWMFQKGMPEB-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157650 952265805 /nfs/dbraw/zinc/26/58/05/952265805.db2.gz OBAAWMFQKGMPEB-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575165964 952317165 /nfs/dbraw/zinc/31/71/65/952317165.db2.gz RJGPXVUOHNCGMR-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575165964 952317178 /nfs/dbraw/zinc/31/71/78/952317178.db2.gz RJGPXVUOHNCGMR-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575165964 952317186 /nfs/dbraw/zinc/31/71/86/952317186.db2.gz RJGPXVUOHNCGMR-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575165964 952317191 /nfs/dbraw/zinc/31/71/91/952317191.db2.gz RJGPXVUOHNCGMR-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)CCC[NH+](C)C ZINC001575178120 952405553 /nfs/dbraw/zinc/40/55/53/952405553.db2.gz KNZWRGJAPSHWCJ-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)CCC[NH+](C)C ZINC001575178120 952405555 /nfs/dbraw/zinc/40/55/55/952405555.db2.gz KNZWRGJAPSHWCJ-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC001602903459 971833562 /nfs/dbraw/zinc/83/35/62/971833562.db2.gz PICOCJDSHUTJBP-UHFFFAOYSA-N 0 1 383.489 1.689 20 0 GDADMN C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575191797 952469852 /nfs/dbraw/zinc/46/98/52/952469852.db2.gz YSCFQRGARRGSPT-OLZOCXBDSA-N 0 1 383.431 1.618 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575197276 952481352 /nfs/dbraw/zinc/48/13/52/952481352.db2.gz RNBCVEOGPOMSJD-MCIONIFRSA-N 0 1 381.440 1.462 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1CC(Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200400 952495109 /nfs/dbraw/zinc/49/51/09/952495109.db2.gz JAGJELMUUHVBCK-DCBWTQNWSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](Nc1ccc(-c2nn[nH]n2)nc1)C1CC1 ZINC001575201027 952500834 /nfs/dbraw/zinc/50/08/34/952500834.db2.gz MZGXMJWPAZNVNE-BZNIZROVSA-N 0 1 381.444 1.170 20 0 GDADMN CC(C)(NC(=O)c1cccc(-c2nn[nH]n2)c1Br)c1c[nH]nn1 ZINC001571122755 952526165 /nfs/dbraw/zinc/52/61/65/952526165.db2.gz JXHWCIKCECINRV-UHFFFAOYSA-N 0 1 377.206 1.412 20 0 GDADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001571123676 952531207 /nfs/dbraw/zinc/53/12/07/952531207.db2.gz UCXNTSFPTATEON-ZDUSSCGKSA-N 0 1 376.440 1.256 20 0 GDADMN O=C(COC1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123854 952532219 /nfs/dbraw/zinc/53/22/19/952532219.db2.gz WTGVSUGJCHFKQP-LBPRGKRZSA-N 0 1 376.486 1.578 20 0 GDADMN O=C(COC1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123854 952532222 /nfs/dbraw/zinc/53/22/22/952532222.db2.gz WTGVSUGJCHFKQP-LBPRGKRZSA-N 0 1 376.486 1.578 20 0 GDADMN O=C([C@H]1C[C@@H]1C(F)F)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571124176 952534570 /nfs/dbraw/zinc/53/45/70/952534570.db2.gz ACYKMTJIAKBGDX-WOPDTQHZSA-N 0 1 377.399 1.235 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571124798 952545574 /nfs/dbraw/zinc/54/55/74/952545574.db2.gz UWNIQWKLYAGWGN-PWSUYJOCSA-N 0 1 377.399 1.235 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001571134867 952596382 /nfs/dbraw/zinc/59/63/82/952596382.db2.gz MADLJBJWHNCMQP-HIFRSBDPSA-N 0 1 378.440 1.285 20 0 GDADMN Cc1cccc(C(=O)N2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)n1 ZINC001571134959 952597305 /nfs/dbraw/zinc/59/73/05/952597305.db2.gz NYPUQEPEQQBWLR-UHFFFAOYSA-N 0 1 378.440 1.626 20 0 GDADMN Cc1cc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2cc[nH]c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135138 952600952 /nfs/dbraw/zinc/60/09/52/952600952.db2.gz POHSHBCXAWLLLQ-HOTGVXAUSA-N 0 1 378.440 1.782 20 0 GDADMN C[C@]12CN(C(=O)Cc3ccc[nH]3)C[C@H]1CN(c1ccncc1-c1nn[nH]n1)C2 ZINC001571135357 952602741 /nfs/dbraw/zinc/60/27/41/952602741.db2.gz UPVUSKFIPDGODX-YJYMSZOUSA-N 0 1 378.440 1.117 20 0 GDADMN C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571140249 952624872 /nfs/dbraw/zinc/62/48/72/952624872.db2.gz PGYRGVRWEKKINI-NWDGAFQWSA-N 0 1 379.415 1.777 20 0 GDADMN O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571146697 952651654 /nfs/dbraw/zinc/65/16/54/952651654.db2.gz LQLLOUXLMSDVHD-GFCCVEGCSA-N 0 1 379.428 1.001 20 0 GDADMN Cc1nnccc1C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1 ZINC001571147233 952658304 /nfs/dbraw/zinc/65/83/04/952658304.db2.gz URWGTDSVZWGERN-UHFFFAOYSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1nc[nH]c1C(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571153361 952685844 /nfs/dbraw/zinc/68/58/44/952685844.db2.gz PQHITTDPWCGPSI-ZETCQYMHSA-N 0 1 379.837 1.335 20 0 GDADMN O=C(NC[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CC1(F)F ZINC001571153955 952688797 /nfs/dbraw/zinc/68/87/97/952688797.db2.gz WYRULJGQHNHVIH-AAEUAGOBSA-N 0 1 380.374 1.742 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001571155159 952693616 /nfs/dbraw/zinc/69/36/16/952693616.db2.gz JHZIJEXUIRUOLG-YNEHKIRRSA-N 0 1 380.412 1.091 20 0 GDADMN CC(C)(C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001571155307 952696127 /nfs/dbraw/zinc/69/61/27/952696127.db2.gz NLMJHPWOUMNRCO-MRXNPFEDSA-N 0 1 380.403 1.020 20 0 GDADMN C[C@H]1CC[C@H](NC(=O)c2ccccc2O)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571155499 952697715 /nfs/dbraw/zinc/69/77/15/952697715.db2.gz UPMBXBSGUNYPLK-RYUDHWBXSA-N 0 1 380.412 1.150 20 0 GDADMN Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001571157950 952709179 /nfs/dbraw/zinc/70/91/79/952709179.db2.gz DICIVYFVPNBISL-GFCCVEGCSA-N 0 1 380.412 1.022 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cnoc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159053 952717637 /nfs/dbraw/zinc/71/76/37/952717637.db2.gz PTDMWFJDAFXMOH-TXEJJXNPSA-N 0 1 380.412 1.230 20 0 GDADMN Cc1ocnc1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571160676 952727758 /nfs/dbraw/zinc/72/77/58/952727758.db2.gz LGQMFJGXUFCJNQ-KBPBESRZSA-N 0 1 380.412 1.133 20 0 GDADMN O=C(c1ccoc1C1CC1)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571160860 952728283 /nfs/dbraw/zinc/72/82/83/952728283.db2.gz NLVZXODVDCHGJC-GFCCVEGCSA-N 0 1 380.412 1.266 20 0 GDADMN O=C(c1ocnc1C1CC1)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571162381 952743291 /nfs/dbraw/zinc/74/32/91/952743291.db2.gz SJHILYXRAOKJDM-LBPRGKRZSA-N 0 1 380.412 1.266 20 0 GDADMN CCc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)n(C)n1 ZINC001571165678 952753179 /nfs/dbraw/zinc/75/31/79/952753179.db2.gz HLRRHEQJPNGIKM-HNNXBMFYSA-N 0 1 380.456 1.167 20 0 GDADMN CN(C(=O)[C@@]1(F)CCOC1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571166340 952760351 /nfs/dbraw/zinc/76/03/51/952760351.db2.gz LSHOHQOISLDEQF-CLIRUNRCSA-N 0 1 380.449 1.136 20 0 GDADMN CN(C(=O)[C@@]1(F)CCOC1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571166340 952760354 /nfs/dbraw/zinc/76/03/54/952760354.db2.gz LSHOHQOISLDEQF-CLIRUNRCSA-N 0 1 380.449 1.136 20 0 GDADMN Cc1cc(C(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)n(C)n1 ZINC001571169559 952775343 /nfs/dbraw/zinc/77/53/43/952775343.db2.gz GUKYQXMLECZTQG-UHFFFAOYSA-N 0 1 380.456 1.257 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)c3cccn3C)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169661 952777200 /nfs/dbraw/zinc/77/72/00/952777200.db2.gz JVQVOPYANDYJGB-INIZCTEOSA-N 0 1 380.456 1.293 20 0 GDADMN Cn1cccc1C(=O)N1CCCCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571172366 952807286 /nfs/dbraw/zinc/80/72/86/952807286.db2.gz UCWLWGQRINDBHA-AWEZNQCLSA-N 0 1 380.456 1.519 20 0 GDADMN COc1ccc(CN2CC([C@H](C)NC(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571182706 952867153 /nfs/dbraw/zinc/86/71/53/952867153.db2.gz CERBNZYPRDGISF-LBPRGKRZSA-N 0 1 381.440 1.454 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C)n3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187625 952909328 /nfs/dbraw/zinc/90/93/28/952909328.db2.gz AAJAOGDNJRKMIT-UONOGXRCSA-N 0 1 381.444 1.113 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3ccn(C)n3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188147 952912760 /nfs/dbraw/zinc/91/27/60/952912760.db2.gz GSWRIHDRBNBBQB-TZMCWYRMSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1nc(N[C@@H]2C[C@H](C)N(C(=O)CCc3cnc[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189133 952925577 /nfs/dbraw/zinc/92/55/77/952925577.db2.gz MVIJJXGRKKPZCX-SMDDNHRTSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1cc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)ncn1 ZINC001571189574 952930832 /nfs/dbraw/zinc/93/08/32/952930832.db2.gz 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/nfs/dbraw/zinc/79/39/60/597793960.db2.gz XAPJUGKJMQZFSJ-GFCCVEGCSA-N 0 1 378.816 1.770 20 0 GDADMN CC(C)(C)c1nc([C@@H]2CN(CCOc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000735656685 599290734 /nfs/dbraw/zinc/29/07/34/599290734.db2.gz MIZZKFIYQYUVGR-HNNXBMFYSA-N 0 1 398.471 1.735 20 0 GDADMN CC(C)(C)c1nnc([C@@H]2CN(CCOc3cccc(-c4nn[nH]n4)c3)CCO2)[nH]1 ZINC000735656685 599290736 /nfs/dbraw/zinc/29/07/36/599290736.db2.gz MIZZKFIYQYUVGR-HNNXBMFYSA-N 0 1 398.471 1.735 20 0 GDADMN CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821626847 599291654 /nfs/dbraw/zinc/29/16/54/599291654.db2.gz BDBRNRLLEVFCHP-NSHDSACASA-N 0 1 398.393 1.253 20 0 GDADMN COc1ccnc(N2CCN(C(=O)CCc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737160315 598240397 /nfs/dbraw/zinc/24/03/97/598240397.db2.gz ZRTGBSNUOYNZEU-UHFFFAOYSA-N 0 1 393.451 1.552 20 0 GDADMN Cc1cccc(OC[C@@H](O)CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737402572 598274310 /nfs/dbraw/zinc/27/43/10/598274310.db2.gz WVLUVYAAMHUUHM-KRWDZBQOSA-N 0 1 394.479 1.737 20 0 GDADMN CC[N@H+](CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000736538087 598301840 /nfs/dbraw/zinc/30/18/40/598301840.db2.gz SNGASLQOONPELT-UHFFFAOYSA-N 0 1 397.487 1.059 20 0 GDADMN CC[N@@H+](CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000736538087 598301841 /nfs/dbraw/zinc/30/18/41/598301841.db2.gz SNGASLQOONPELT-UHFFFAOYSA-N 0 1 397.487 1.059 20 0 GDADMN CC[N@H+](CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000736538087 598301843 /nfs/dbraw/zinc/30/18/43/598301843.db2.gz SNGASLQOONPELT-UHFFFAOYSA-N 0 1 397.487 1.059 20 0 GDADMN CC[N@@H+](CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000736538087 598301846 /nfs/dbraw/zinc/30/18/46/598301846.db2.gz SNGASLQOONPELT-UHFFFAOYSA-N 0 1 397.487 1.059 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2ccc([C@@H](C)O)cc2)cc1-c1nn[nH]n1 ZINC000737185793 598302435 /nfs/dbraw/zinc/30/24/35/598302435.db2.gz CPUOOZLFPPBFIS-SECBINFHSA-N 0 1 386.437 1.673 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2ccc([C@H](C)O)cc2)cc1-c1nn[nH]n1 ZINC000737185796 598302446 /nfs/dbraw/zinc/30/24/46/598302446.db2.gz CPUOOZLFPPBFIS-VIFPVBQESA-N 0 1 386.437 1.673 20 0 GDADMN CC[C@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000736412585 598345634 /nfs/dbraw/zinc/34/56/34/598345634.db2.gz WCGNFCQFMMUMFQ-PBHICJAKSA-N 0 1 387.488 1.236 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(Cn2cccn2)CC1 ZINC000735561565 598352393 /nfs/dbraw/zinc/35/23/93/598352393.db2.gz ZWTCOTDZNUTNSI-AWEZNQCLSA-N 0 1 380.456 1.802 20 0 GDADMN CCOCCN1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)C[C@H]1CC ZINC000736619556 598366847 /nfs/dbraw/zinc/36/68/47/598366847.db2.gz QPSARKJTHGMPPH-CYBMUJFWSA-N 0 1 393.517 1.299 20 0 GDADMN CN(C)[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccsc1 ZINC000736757775 598401600 /nfs/dbraw/zinc/40/16/00/598401600.db2.gz CVBDMFGQBKNUAF-HNNXBMFYSA-N 0 1 399.480 1.077 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2cn3c(n2)CCCC3)cc1-c1nn[nH]n1 ZINC000737188033 598408397 /nfs/dbraw/zinc/40/83/97/598408397.db2.gz WHFSSZCDIIBPQL-UHFFFAOYSA-N 0 1 386.441 1.152 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000737187468 598409026 /nfs/dbraw/zinc/40/90/26/598409026.db2.gz RVEAZKRXQKJKPI-LLVKDONJSA-N 0 1 397.464 1.698 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000737201387 598420954 /nfs/dbraw/zinc/42/09/54/598420954.db2.gz RTZCVHIACPGKLN-CQSZACIVSA-N 0 1 385.472 1.213 20 0 GDADMN COC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000736976983 598424824 /nfs/dbraw/zinc/42/48/24/598424824.db2.gz IMBPVXBWAWUXSS-CYBMUJFWSA-N 0 1 386.437 1.807 20 0 GDADMN O=S(=O)(c1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000738347669 598425474 /nfs/dbraw/zinc/42/54/74/598425474.db2.gz MKEDRCDSDYGISI-LLVKDONJSA-N 0 1 382.877 1.379 20 0 GDADMN COCCN1CC[C@@H](NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)C1 ZINC000737007592 598466412 /nfs/dbraw/zinc/46/64/12/598466412.db2.gz NULLSTQOFKGZRY-RHSMWYFYSA-N 0 1 388.472 1.107 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2nc(C)cs2)cc1-c1nn[nH]n1 ZINC000737185817 598530381 /nfs/dbraw/zinc/53/03/81/598530381.db2.gz CYOINYLKSUTQFQ-ZETCQYMHSA-N 0 1 377.455 1.945 20 0 GDADMN CCC[NH+](CCC)CCCNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736473859 598556136 /nfs/dbraw/zinc/55/61/36/598556136.db2.gz TZMYAWJCMHPNFS-UHFFFAOYSA-N 0 1 393.517 1.931 20 0 GDADMN O=C([C@H](O)c1cccnc1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737784457 598624329 /nfs/dbraw/zinc/62/43/29/598624329.db2.gz VSUUDYGTGVAOJE-GOSISDBHSA-N 0 1 393.451 1.030 20 0 GDADMN CCN(CC)C(=O)CN1CCCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736529089 598632827 /nfs/dbraw/zinc/63/28/27/598632827.db2.gz ISGWOBWOZOANRF-UHFFFAOYSA-N 0 1 375.452 1.386 20 0 GDADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000735559925 598727141 /nfs/dbraw/zinc/72/71/41/598727141.db2.gz AULBMZOKTZFOJH-LSDHHAIUSA-N 0 1 397.483 1.528 20 0 GDADMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NC[C@H]1CN(C)CCN1C ZINC000735905142 598731829 /nfs/dbraw/zinc/73/18/29/598731829.db2.gz FQPMMTLOUFUOLU-AWEZNQCLSA-N 0 1 388.476 1.021 20 0 GDADMN Cc1cc(C)cc([C@@H](O)CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000822196490 599306559 /nfs/dbraw/zinc/30/65/59/599306559.db2.gz LEOPXGVTFIIAKN-SFHVURJKSA-N 0 1 379.468 1.734 20 0 GDADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000736201407 599317069 /nfs/dbraw/zinc/31/70/69/599317069.db2.gz XXGCFVRLVBVEKL-CYBMUJFWSA-N 0 1 376.428 1.188 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000737546190 599388878 /nfs/dbraw/zinc/38/88/78/599388878.db2.gz AGYZZPIMSWHHOZ-UHFFFAOYSA-N 0 1 399.455 1.135 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000737546190 599388881 /nfs/dbraw/zinc/38/88/81/599388881.db2.gz AGYZZPIMSWHHOZ-UHFFFAOYSA-N 0 1 399.455 1.135 20 0 GDADMN C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820751819 599536541 /nfs/dbraw/zinc/53/65/41/599536541.db2.gz ICELISMOQDXKOM-DZGCQCFKSA-N 0 1 391.907 1.361 20 0 GDADMN O[C@@H](COc1ccccc1)CN1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000823699626 599540907 /nfs/dbraw/zinc/54/09/07/599540907.db2.gz WQKHJOJZUUZNOA-MRXNPFEDSA-N 0 1 398.442 1.568 20 0 GDADMN Cc1nsc(N2CCCN(CCOc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000822530435 599587926 /nfs/dbraw/zinc/58/79/26/599587926.db2.gz BGBAYMORWRUZPP-UHFFFAOYSA-N 0 1 386.485 1.618 20 0 GDADMN CCc1cc(CNC(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000736675417 599603010 /nfs/dbraw/zinc/60/30/10/599603010.db2.gz LMMNBHYZWOEVQJ-UHFFFAOYSA-N 0 1 395.471 1.574 20 0 GDADMN CC(C)C[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000820068829 599646141 /nfs/dbraw/zinc/64/61/41/599646141.db2.gz UJJWZBUYJBIUHU-VLIAUNLRSA-N 0 1 397.483 1.959 20 0 GDADMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H]2CO)c1-c1nn[nH]n1 ZINC000822016246 599690588 /nfs/dbraw/zinc/69/05/88/599690588.db2.gz WLWIPRUKFJUUCQ-MRXNPFEDSA-N 0 1 395.467 1.669 20 0 GDADMN C[C@H](C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)N(C)Cc1ccccc1 ZINC000819856664 599696464 /nfs/dbraw/zinc/69/64/64/599696464.db2.gz KCMXVKAPGLUMAG-CQSZACIVSA-N 0 1 380.456 1.310 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1CC(=O)NCCC(=O)[O-] ZINC000736274598 599714090 /nfs/dbraw/zinc/71/40/90/599714090.db2.gz VGUHIQJBQHFJNJ-CABCVRRESA-N 0 1 383.489 1.831 20 0 GDADMN CNC(=O)[C@@H]1CCCC[N@@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000737539573 599779857 /nfs/dbraw/zinc/77/98/57/599779857.db2.gz RUAQHTVNXRETGO-WMLDXEAASA-N 0 1 386.452 1.322 20 0 GDADMN CNC(=O)[C@@H]1CCCC[N@H+]1CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000737539573 599779859 /nfs/dbraw/zinc/77/98/59/599779859.db2.gz RUAQHTVNXRETGO-WMLDXEAASA-N 0 1 386.452 1.322 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000737346321 599795886 /nfs/dbraw/zinc/79/58/86/599795886.db2.gz AQNDWAYPPTVFDZ-QGZVFWFLSA-N 0 1 390.484 1.469 20 0 GDADMN C[N@@H+](CCOc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1)C1CCOCC1 ZINC000737448495 599807113 /nfs/dbraw/zinc/80/71/13/599807113.db2.gz ACVXLCRXZAWTNU-ZWKOTPCHSA-N 0 1 376.453 1.513 20 0 GDADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000736368800 599842401 /nfs/dbraw/zinc/84/24/01/599842401.db2.gz PEFMLEKREKUPJX-QZTJIDSGSA-N 0 1 376.501 1.774 20 0 GDADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000736368800 599842403 /nfs/dbraw/zinc/84/24/03/599842403.db2.gz PEFMLEKREKUPJX-QZTJIDSGSA-N 0 1 376.501 1.774 20 0 GDADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000736368800 599842405 /nfs/dbraw/zinc/84/24/05/599842405.db2.gz PEFMLEKREKUPJX-QZTJIDSGSA-N 0 1 376.501 1.774 20 0 GDADMN Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000738773900 599861921 /nfs/dbraw/zinc/86/19/21/599861921.db2.gz ZMCUJDIYMHQFNL-UHFFFAOYSA-N 0 1 377.441 1.229 20 0 GDADMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736794089 599879760 /nfs/dbraw/zinc/87/97/60/599879760.db2.gz NDCXQQCKMFUADH-CABCVRRESA-N 0 1 375.469 1.879 20 0 GDADMN 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0 1 384.415 1.633 20 0 GDADMN C[C@@]1(O)CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820629619 606377728 /nfs/dbraw/zinc/37/77/28/606377728.db2.gz YSZFVXBBZOINNR-QGZVFWFLSA-N 0 1 376.486 1.592 20 0 GDADMN C[C@@]1(O)CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820629619 606377730 /nfs/dbraw/zinc/37/77/30/606377730.db2.gz YSZFVXBBZOINNR-QGZVFWFLSA-N 0 1 376.486 1.592 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1NCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000822220175 606454283 /nfs/dbraw/zinc/45/42/83/606454283.db2.gz HCOKJFSBKNYSQJ-MRXNPFEDSA-N 0 1 387.488 1.060 20 0 GDADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821587195 606567975 /nfs/dbraw/zinc/56/79/75/606567975.db2.gz LDUJQSIJVCUNJE-UHFFFAOYSA-N 0 1 379.424 1.208 20 0 GDADMN Cc1cccnc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822366101 606625166 /nfs/dbraw/zinc/62/51/66/606625166.db2.gz BSERICFTEYERSM-UHFFFAOYSA-N 0 1 377.452 1.918 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1-c1nnn[n-]1 ZINC000821978841 606634132 /nfs/dbraw/zinc/63/41/32/606634132.db2.gz NCYHPQLYUBMHGX-RKDXNWHRSA-N 0 1 375.458 1.044 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1-c1nn[n-]n1 ZINC000821978841 606634133 /nfs/dbraw/zinc/63/41/33/606634133.db2.gz NCYHPQLYUBMHGX-RKDXNWHRSA-N 0 1 375.458 1.044 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1-c1nn[n-]n1 ZINC000821978841 606634134 /nfs/dbraw/zinc/63/41/34/606634134.db2.gz NCYHPQLYUBMHGX-RKDXNWHRSA-N 0 1 375.458 1.044 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1-c1nn[nH]n1 ZINC000821969649 606642990 /nfs/dbraw/zinc/64/29/90/606642990.db2.gz CMCZDQAHYRPPMC-GFCCVEGCSA-N 0 1 386.441 1.780 20 0 GDADMN O=C(NC1CCN(Cc2ccccn2)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823154938 606671665 /nfs/dbraw/zinc/67/16/65/606671665.db2.gz MPLDXZLCTNFNBB-UHFFFAOYSA-N 0 1 399.405 1.934 20 0 GDADMN CCCc1nc([C@H]2CN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)CCO2)n[nH]1 ZINC000821142001 606696424 /nfs/dbraw/zinc/69/64/24/606696424.db2.gz BFOZEPSBFKWVNC-CQSZACIVSA-N 0 1 397.443 1.851 20 0 GDADMN CCCc1n[nH]c([C@H]2CN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)CCO2)n1 ZINC000821142001 606696425 /nfs/dbraw/zinc/69/64/25/606696425.db2.gz BFOZEPSBFKWVNC-CQSZACIVSA-N 0 1 397.443 1.851 20 0 GDADMN CCN1CCC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821255096 606736326 /nfs/dbraw/zinc/73/63/26/606736326.db2.gz UFZLFZXYJJTWPJ-NSHDSACASA-N 0 1 377.836 1.059 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1-c1nn[nH]n1 ZINC000821976804 606768772 /nfs/dbraw/zinc/76/87/72/606768772.db2.gz DGGWDGXJIYAVRM-XXILOJSOSA-N 0 1 376.442 1.377 20 0 GDADMN COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821638837 606770684 /nfs/dbraw/zinc/77/06/84/606770684.db2.gz JGKWYNCXSZTYTL-FZKQIMNGSA-N 0 1 394.435 1.945 20 0 GDADMN CN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821592731 606792642 /nfs/dbraw/zinc/79/26/42/606792642.db2.gz RXIWVKXCSCIRCQ-KRWDZBQOSA-N 0 1 398.492 1.762 20 0 GDADMN CC(C)OCc1ccc(CNC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)cc1 ZINC000820147067 606824581 /nfs/dbraw/zinc/82/45/81/606824581.db2.gz ZAIXRHNFZNAVTF-UHFFFAOYSA-N 0 1 382.424 1.270 20 0 GDADMN COC(=O)[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1F ZINC000821644590 606848634 /nfs/dbraw/zinc/84/86/34/606848634.db2.gz DHLQNDDDVFFKIU-CQSZACIVSA-N 0 1 391.384 1.198 20 0 GDADMN O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572134 606888819 /nfs/dbraw/zinc/88/88/19/606888819.db2.gz BYYUVSNUVSQYDX-SMDDNHRTSA-N 0 1 377.376 1.979 20 0 GDADMN CC1(C)[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@H]2CCCO[C@H]21 ZINC000820585897 606893843 /nfs/dbraw/zinc/89/38/43/606893843.db2.gz RDUKBHTUQMKOHV-OWYVNGRQSA-N 0 1 399.423 1.627 20 0 GDADMN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821938222 607058805 /nfs/dbraw/zinc/05/88/05/607058805.db2.gz ZBFKEOBBIAXGHZ-AWEZNQCLSA-N 0 1 382.465 1.300 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccnc1OCc1ccccc1 ZINC000823136357 607209115 /nfs/dbraw/zinc/20/91/15/607209115.db2.gz XMISKYZUKJIQSC-UHFFFAOYSA-N 0 1 377.368 1.071 20 0 GDADMN Cc1ccc(CN(Cc2ccco2)C(=O)Cn2cnc(-c3nn[nH]n3)n2)s1 ZINC000822237050 607211382 /nfs/dbraw/zinc/21/13/82/607211382.db2.gz BUWNCRCIOZWRRX-UHFFFAOYSA-N 0 1 384.425 1.650 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccnc(Sc2ccccn2)c1 ZINC000823136253 607213054 /nfs/dbraw/zinc/21/30/54/607213054.db2.gz QSGXNUABARPRLM-UHFFFAOYSA-N 0 1 380.397 1.038 20 0 GDADMN C[C@@H]([NH2+]C1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCC1)c1ccccc1 ZINC000820409753 607216503 /nfs/dbraw/zinc/21/65/03/607216503.db2.gz ADVFRHVYYBBJET-CQSZACIVSA-N 0 1 395.471 1.238 20 0 GDADMN Cc1ccnc(Oc2cc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccc2C)c1 ZINC000822378624 607219753 /nfs/dbraw/zinc/21/97/53/607219753.db2.gz CAZDXTXSGAODDU-UHFFFAOYSA-N 0 1 391.395 1.901 20 0 GDADMN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822236447 607220302 /nfs/dbraw/zinc/22/03/02/607220302.db2.gz ZTJQSBOJNBEUTD-MRXNPFEDSA-N 0 1 396.455 1.017 20 0 GDADMN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822233588 607220305 /nfs/dbraw/zinc/22/03/05/607220305.db2.gz RNUYUDFGNFAKDM-ZBFHGGJFSA-N 0 1 382.428 1.051 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000823123248 607235083 /nfs/dbraw/zinc/23/50/83/607235083.db2.gz UMBDQGVVUSYVFN-NSHDSACASA-N 0 1 399.484 1.200 20 0 GDADMN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1-c1nn[nH]n1 ZINC000826304151 607809736 /nfs/dbraw/zinc/80/97/36/607809736.db2.gz YRLJXVRKNMEZSX-UHFFFAOYSA-N 0 1 399.436 1.417 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000826174894 607813351 /nfs/dbraw/zinc/81/33/51/607813351.db2.gz MPSJJSQUXBPMIW-UHFFFAOYSA-N 0 1 392.379 1.678 20 0 GDADMN C[C@@H]1C[C@@H](N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCN1C ZINC000824885395 607828769 /nfs/dbraw/zinc/82/87/69/607828769.db2.gz SNXIYPWCBSVMFX-HIFRSBDPSA-N 0 1 378.502 1.055 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3ccnc3)cc2)c1-c1nn[n-]n1 ZINC000826084017 608019029 /nfs/dbraw/zinc/01/90/29/608019029.db2.gz UCKGHGBTDSIOBN-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826077336 608020129 /nfs/dbraw/zinc/02/01/29/608020129.db2.gz DQVHCEWBUBMUTO-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826077336 608020130 /nfs/dbraw/zinc/02/01/30/608020130.db2.gz DQVHCEWBUBMUTO-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCOCc2ccccc2)c1-c1nnn[n-]1 ZINC000826077570 608021243 /nfs/dbraw/zinc/02/12/43/608021243.db2.gz MUZLOSPZHRGNIT-UHFFFAOYSA-N 0 1 384.444 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCOCc2ccccc2)c1-c1nn[n-]n1 ZINC000826077570 608021244 /nfs/dbraw/zinc/02/12/44/608021244.db2.gz MUZLOSPZHRGNIT-UHFFFAOYSA-N 0 1 384.444 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3cnccc32)c1-c1nnn[n-]1 ZINC000826083005 608021508 /nfs/dbraw/zinc/02/15/08/608021508.db2.gz DXMVLBNVULXITH-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3cnccc32)c1-c1nn[n-]n1 ZINC000826083005 608021509 /nfs/dbraw/zinc/02/15/09/608021509.db2.gz DXMVLBNVULXITH-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN O=C(CCN1CCC(O)(C(F)(F)F)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407310 608040085 /nfs/dbraw/zinc/04/00/85/608040085.db2.gz IPUSVGORRWBPRL-UHFFFAOYSA-N 0 1 384.362 1.585 20 0 GDADMN COc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)cc1OC ZINC000826178067 608107568 /nfs/dbraw/zinc/10/75/68/608107568.db2.gz ISNMJQGCKSUQIY-UHFFFAOYSA-N 0 1 375.410 1.993 20 0 GDADMN O=C(NCC[C@@H]1CCOC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826435909 608130453 /nfs/dbraw/zinc/13/04/53/608130453.db2.gz BNIVVZHZMDHREW-QGZVFWFLSA-N 0 1 399.499 1.511 20 0 GDADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)CCC1CC1 ZINC000825865763 608148402 /nfs/dbraw/zinc/14/84/02/608148402.db2.gz JZGRXWBBFUTYJR-UHFFFAOYSA-N 0 1 378.502 1.360 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CONC(=N)[C@@H]1COc2ccccc2O1 ZINC000826184729 608153440 /nfs/dbraw/zinc/15/34/40/608153440.db2.gz IRWSCJDLAAOXJZ-INIZCTEOSA-N 0 1 382.380 1.714 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCC1=O ZINC000824865465 608218797 /nfs/dbraw/zinc/21/87/97/608218797.db2.gz IRPQUGAHCMIQEN-RHSMWYFYSA-N 0 1 384.484 1.762 20 0 GDADMN O=Cc1[nH]nc2cc(C(=O)OCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)ccc12 ZINC000826483814 608253476 /nfs/dbraw/zinc/25/34/76/608253476.db2.gz AWMPQLLQFNJQRS-UHFFFAOYSA-N 0 1 391.347 1.351 20 0 GDADMN O=Cc1[nH]nc2cc(C(=O)OCCOc3cccc(-c4nn[nH]n4)c3)ccc12 ZINC000826484050 608254997 /nfs/dbraw/zinc/25/49/97/608254997.db2.gz LPKQDSOVADRRGE-UHFFFAOYSA-N 0 1 378.348 1.791 20 0 GDADMN COCCC[N@H+](CCOC)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826156249 608310411 /nfs/dbraw/zinc/31/04/11/608310411.db2.gz VTKJWZBVGVPDJE-UHFFFAOYSA-N 0 1 385.472 1.846 20 0 GDADMN COCCC[N@@H+](CCOC)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826156249 608310413 /nfs/dbraw/zinc/31/04/13/608310413.db2.gz VTKJWZBVGVPDJE-UHFFFAOYSA-N 0 1 385.472 1.846 20 0 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/nfs/dbraw/zinc/13/97/10/971139710.db2.gz OMFWVJKEXDVCQT-LLVKDONJSA-N 0 1 376.862 1.809 20 0 GDADMN O=C(NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)c1ccc(=O)[nH]c1 ZINC001571262069 945433631 /nfs/dbraw/zinc/43/36/31/945433631.db2.gz MZKJOWZDZNUEOY-UHFFFAOYSA-N 0 1 385.453 1.423 20 0 GDADMN CCc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571262536 945439366 /nfs/dbraw/zinc/43/93/66/945439366.db2.gz STVMBOBBKDCVAY-SNVBAGLBSA-N 0 1 385.457 1.074 20 0 GDADMN C[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571264559 945485454 /nfs/dbraw/zinc/48/54/54/945485454.db2.gz RHDCFBAWXTWOIW-KBUPBQIOSA-N 0 1 385.472 1.196 20 0 GDADMN O=C([C@H]1CCCCO1)N1CCC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571266361 945540143 /nfs/dbraw/zinc/54/01/43/945540143.db2.gz PEBRBNRBORZEFS-RHSMWYFYSA-N 0 1 385.472 1.293 20 0 GDADMN CC[C@H]1CN(C(=O)N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000820989535 945605571 /nfs/dbraw/zinc/60/55/71/945605571.db2.gz VREBIAGMLREPTL-YOEHRIQHSA-N 0 1 387.488 1.680 20 0 GDADMN CCn1cnc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@@H](C)C2)c1 ZINC001571271393 945642282 /nfs/dbraw/zinc/64/22/82/945642282.db2.gz BJSASMYDFKBNGK-AAEUAGOBSA-N 0 1 386.485 1.395 20 0 GDADMN CCn1cnc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@@H](C)C2)c1 ZINC001571271393 945642289 /nfs/dbraw/zinc/64/22/89/945642289.db2.gz BJSASMYDFKBNGK-AAEUAGOBSA-N 0 1 386.485 1.395 20 0 GDADMN Cc1nc(CCN2CC([C@H](C)NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cs1 ZINC001571272097 945655937 /nfs/dbraw/zinc/65/59/37/945655937.db2.gz PEXQBBRQPKQMFC-JTQLQIEISA-N 0 1 386.485 1.253 20 0 GDADMN Cc1cnc(CNC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC001571272359 945662250 /nfs/dbraw/zinc/66/22/50/945662250.db2.gz SRFKMLIWAGZRIP-ZDUSSCGKSA-N 0 1 386.485 1.744 20 0 GDADMN Cc1cc(NCC2CC(NC(=O)c3ccc(Cl)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571274263 945695575 /nfs/dbraw/zinc/69/55/75/945695575.db2.gz CYOOHHDCCYRZCX-UHFFFAOYSA-N 0 1 386.847 1.594 20 0 GDADMN Cc1nnc(CN[C@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571281135 945797105 /nfs/dbraw/zinc/79/71/05/945797105.db2.gz CNVNKRSRGLGSRM-NWDGAFQWSA-N 0 1 387.473 1.186 20 0 GDADMN CCc1ncoc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281061 945798349 /nfs/dbraw/zinc/79/83/49/945798349.db2.gz BMRZLBYBMKIHAN-NSHDSACASA-N 0 1 387.469 1.825 20 0 GDADMN CCc1ncoc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281061 945798358 /nfs/dbraw/zinc/79/83/58/945798358.db2.gz BMRZLBYBMKIHAN-NSHDSACASA-N 0 1 387.469 1.825 20 0 GDADMN O=C(CN1CCCC1)N[C@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571281401 945803382 /nfs/dbraw/zinc/80/33/82/945803382.db2.gz HYKBRKLOMYJFAC-KGLIPLIRSA-N 0 1 387.463 1.941 20 0 GDADMN CC[C@H](C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1)[NH+](C)C ZINC001571283221 945879755 /nfs/dbraw/zinc/87/97/55/945879755.db2.gz CCTIYDKQRFXTKQ-DZGCQCFKSA-N 0 1 387.492 1.180 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2ncc(C(C)(C)C)o2)cc1-c1nn[nH]n1 ZINC000821979827 945914576 /nfs/dbraw/zinc/91/45/76/945914576.db2.gz YVUPUMPUAATCRM-UHFFFAOYSA-N 0 1 389.441 1.905 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(F)s1 ZINC001571286678 945954933 /nfs/dbraw/zinc/95/49/33/945954933.db2.gz ONRCLLDQDRYTCV-NXEZZACHSA-N 0 1 388.432 1.384 20 0 GDADMN O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289771 946016760 /nfs/dbraw/zinc/01/67/60/946016760.db2.gz MBROPPAWPVEBTP-OYCUPVHPSA-N 0 1 388.497 1.338 20 0 GDADMN O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289771 946016775 /nfs/dbraw/zinc/01/67/75/946016775.db2.gz MBROPPAWPVEBTP-OYCUPVHPSA-N 0 1 388.497 1.338 20 0 GDADMN Cc1ccc2nc(CNC(=O)C(=O)Nc3cccc(C)c3-c3nn[nH]n3)[nH]c2c1 ZINC000822270921 946040695 /nfs/dbraw/zinc/04/06/95/946040695.db2.gz CZSZCUXMDHBSBG-UHFFFAOYSA-N 0 1 390.407 1.615 20 0 GDADMN O=C(NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)c1cc(Cl)no1 ZINC001571290958 946062718 /nfs/dbraw/zinc/06/27/18/946062718.db2.gz VSBHNVQJAYHZEC-UHFFFAOYSA-N 0 1 388.819 1.478 20 0 GDADMN Cc1nc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cs1 ZINC001571294312 946132597 /nfs/dbraw/zinc/13/25/97/946132597.db2.gz FEYDWHGXMDSUSM-LLVKDONJSA-N 0 1 389.510 1.626 20 0 GDADMN Cc1nc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cs1 ZINC001571294312 946132602 /nfs/dbraw/zinc/13/26/02/946132602.db2.gz FEYDWHGXMDSUSM-LLVKDONJSA-N 0 1 389.510 1.626 20 0 GDADMN Cc1cncc(C(=O)N2CC3(C2)CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C3)c1 ZINC001571295413 946161315 /nfs/dbraw/zinc/16/13/15/946161315.db2.gz SFCLAJUFOIHYPU-UHFFFAOYSA-N 0 1 389.463 1.918 20 0 GDADMN CC(C)[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1)[NH+](C)C ZINC001571295483 946165198 /nfs/dbraw/zinc/16/51/98/946165198.db2.gz UYKXBVGGOPOKFN-KRWDZBQOSA-N 0 1 389.479 1.236 20 0 GDADMN CS[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC001571298411 946217166 /nfs/dbraw/zinc/21/71/66/946217166.db2.gz NGBAJROHGQGBQR-LBPRGKRZSA-N 0 1 390.488 1.792 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)cc1 ZINC001571298708 946226647 /nfs/dbraw/zinc/22/66/47/946226647.db2.gz KHWSWPNOGDQOSQ-XJKSGUPXSA-N 0 1 390.451 1.684 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298876 946231809 /nfs/dbraw/zinc/23/18/09/946231809.db2.gz LGXRSSIXYFANTG-HUUCEWRRSA-N 0 1 390.451 1.130 20 0 GDADMN O=C(C[C@H]1CCCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299746 946261955 /nfs/dbraw/zinc/26/19/55/946261955.db2.gz PDTJBOZFRCYEML-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@H]1CCCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299746 946261967 /nfs/dbraw/zinc/26/19/67/946261967.db2.gz PDTJBOZFRCYEML-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(NC[C@H]1CCCN1c1nc(-c2nn[nH]n2)c(Cl)s1)c1cccnc1 ZINC001571300214 946274523 /nfs/dbraw/zinc/27/45/23/946274523.db2.gz XBTOJAFGCZFFRB-SNVBAGLBSA-N 0 1 390.860 1.770 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571300157 946275451 /nfs/dbraw/zinc/27/54/51/946275451.db2.gz VVUZJVUXYDFXQC-KGLIPLIRSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300157 946275463 /nfs/dbraw/zinc/27/54/63/946275463.db2.gz VVUZJVUXYDFXQC-KGLIPLIRSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300157 946275478 /nfs/dbraw/zinc/27/54/78/946275478.db2.gz VVUZJVUXYDFXQC-KGLIPLIRSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300157 946275488 /nfs/dbraw/zinc/27/54/88/946275488.db2.gz VVUZJVUXYDFXQC-KGLIPLIRSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300157 946275501 /nfs/dbraw/zinc/27/55/01/946275501.db2.gz VVUZJVUXYDFXQC-KGLIPLIRSA-N 0 1 390.513 1.826 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)CC1(O)CCC1 ZINC001571300317 946281711 /nfs/dbraw/zinc/28/17/11/946281711.db2.gz ZKMYKPVGOYOHNZ-ZDUSSCGKSA-N 0 1 390.513 1.656 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)CC1(O)CCC1 ZINC001571300317 946281718 /nfs/dbraw/zinc/28/17/18/946281718.db2.gz ZKMYKPVGOYOHNZ-ZDUSSCGKSA-N 0 1 390.513 1.656 20 0 GDADMN O=C(c1ncc(F)cc1F)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571301942 946288122 /nfs/dbraw/zinc/28/81/22/946288122.db2.gz INZNUAJUSRAVGZ-SNVBAGLBSA-N 0 1 391.407 1.606 20 0 GDADMN O=C(c1ncc(F)cc1F)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571301942 946288133 /nfs/dbraw/zinc/28/81/33/946288133.db2.gz INZNUAJUSRAVGZ-SNVBAGLBSA-N 0 1 391.407 1.606 20 0 GDADMN Cc1cc(N2CCN(C(=O)c3cncnc3C3CC3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303063 946324374 /nfs/dbraw/zinc/32/43/74/946324374.db2.gz KGWNKQFFTGJLFC-UHFFFAOYSA-N 0 1 391.439 1.200 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)c2ncc(Cl)s2)C1 ZINC001571305549 946366148 /nfs/dbraw/zinc/36/61/48/946366148.db2.gz DZEYZIRRWWBCJU-MRVPVSSYSA-N 0 1 391.848 1.118 20 0 GDADMN C[C@H](C(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)n1cccc1 ZINC001571310809 946479527 /nfs/dbraw/zinc/47/95/27/946479527.db2.gz NQESFYFDKRNBBM-FOIQADDNSA-N 0 1 392.467 1.753 20 0 GDADMN CCc1cccc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571313054 946510416 /nfs/dbraw/zinc/51/04/16/946510416.db2.gz IWEQERLGSOQDMD-OTVXOJSOSA-N 0 1 392.467 1.570 20 0 GDADMN O=C(c1ccoc1C1CC1)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571313330 946517978 /nfs/dbraw/zinc/51/79/78/946517978.db2.gz PXNSIAQELQCHTB-GXTWGEPZSA-N 0 1 392.423 1.478 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571313343 946518268 /nfs/dbraw/zinc/51/82/68/946518268.db2.gz NBGQOZPCPNLNTH-GJZGRUSLSA-N 0 1 392.467 1.745 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)c(C)c1 ZINC001571314991 946547528 /nfs/dbraw/zinc/54/75/28/946547528.db2.gz GAWDBNZIOOXIGV-GOEBONIOSA-N 0 1 392.467 1.706 20 0 GDADMN CC(=O)c1ccc(-c2nn[nH]n2)c(NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000824015409 946553214 /nfs/dbraw/zinc/55/32/14/946553214.db2.gz STLIDSIWCGIGKB-GOSISDBHSA-N 0 1 392.463 1.900 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]3C2)n1C ZINC001571315879 946561355 /nfs/dbraw/zinc/56/13/55/946561355.db2.gz QLJHZGOZFHREDP-GASCZTMLSA-N 0 1 392.467 1.425 20 0 GDADMN Cn1ccc(C(=O)N2CCC[C@@]3(CCN(c4ccncc4-c4nn[nH]n4)C3)C2)c1 ZINC001571316987 946594158 /nfs/dbraw/zinc/59/41/58/946594158.db2.gz RHUCEZRKLDLALL-FQEVSTJZSA-N 0 1 392.467 1.733 20 0 GDADMN CC(=O)NCc1ccc(C(=O)Nc2nc3cc(-c4nn[nH]n4)ccc3[nH]2)cc1 ZINC001573533279 946711284 /nfs/dbraw/zinc/71/12/84/946711284.db2.gz LUEIZZSBNKIZGJ-UHFFFAOYSA-N 0 1 376.380 1.631 20 0 GDADMN CCCc1c(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cnn1-c1ccccc1 ZINC000825348174 947161731 /nfs/dbraw/zinc/16/17/31/947161731.db2.gz DUSTZJCLTZFVOM-UHFFFAOYSA-N 0 1 378.400 1.235 20 0 GDADMN CC[NH+](CC)Cc1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825416611 947182564 /nfs/dbraw/zinc/18/25/64/947182564.db2.gz LBQPFSXBDNCNPV-UHFFFAOYSA-N 0 1 383.456 1.864 20 0 GDADMN CC[NH+](CC)Cc1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825416611 947182572 /nfs/dbraw/zinc/18/25/72/947182572.db2.gz LBQPFSXBDNCNPV-UHFFFAOYSA-N 0 1 383.456 1.864 20 0 GDADMN C=C/C(C)=C\CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001573317325 947296151 /nfs/dbraw/zinc/29/61/51/947296151.db2.gz NQDJWKHYFNFEEY-AUWJEWJLSA-N 0 1 382.472 1.832 20 0 GDADMN C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573593379 947367138 /nfs/dbraw/zinc/36/71/38/947367138.db2.gz SIRSLMZRGNRLOM-GFCCVEGCSA-N 0 1 384.444 1.372 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573595123 947414655 /nfs/dbraw/zinc/41/46/55/947414655.db2.gz FPDGEYTWPDLTHU-HOCLYGCPSA-N 0 1 380.456 1.357 20 0 GDADMN C[C@@H](C(=O)N(C)CCNCc1ccc(-c2nn[nH]n2)cc1F)c1cccnc1 ZINC001573602684 947470504 /nfs/dbraw/zinc/47/05/04/947470504.db2.gz GVQNEBXOJGLWPI-CYBMUJFWSA-N 0 1 383.431 1.753 20 0 GDADMN C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC001573604208 947506113 /nfs/dbraw/zinc/50/61/13/947506113.db2.gz MLKBXQNCLOOFTM-NSHDSACASA-N 0 1 386.847 1.406 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573350674 947600889 /nfs/dbraw/zinc/60/08/89/947600889.db2.gz DBKLZFXVQYGIEY-HNNXBMFYSA-N 0 1 390.451 1.686 20 0 GDADMN C/C(=C\C(=O)N1CCC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C1CC1 ZINC001573362789 947705420 /nfs/dbraw/zinc/70/54/20/947705420.db2.gz LLIIDYXPBHITGJ-XETPBLJFSA-N 0 1 381.484 1.999 20 0 GDADMN CC(=O)CCCC(=O)N(C)[C@@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573364117 947718350 /nfs/dbraw/zinc/71/83/50/947718350.db2.gz GGSXDPIWPYORES-KRWDZBQOSA-N 0 1 385.472 1.400 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573627727 947732401 /nfs/dbraw/zinc/73/24/01/947732401.db2.gz FRYVVLQQJABLRR-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573628045 947742640 /nfs/dbraw/zinc/74/26/40/947742640.db2.gz HRANHNIRNWCWKY-NEPJUHHUSA-N 0 1 392.427 1.302 20 0 GDADMN C[C@H](C(=O)N1CCC2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1)C1CC1 ZINC001573628602 947758858 /nfs/dbraw/zinc/75/88/58/947758858.db2.gz IZPBLJQYHYSNQR-ZDUSSCGKSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573629188 947773837 /nfs/dbraw/zinc/77/38/37/947773837.db2.gz RFYXEZFAORKIBU-QWRGUYRKSA-N 0 1 383.378 1.675 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001573372700 947781779 /nfs/dbraw/zinc/78/17/79/947781779.db2.gz CGNNJDSWRMEPPU-OAHLLOKOSA-N 0 1 385.472 1.626 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573630298 947789995 /nfs/dbraw/zinc/78/99/95/947789995.db2.gz XSZRYGPYSLLDJF-HUUCEWRRSA-N 0 1 380.456 1.539 20 0 GDADMN C[C@H](C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001573630647 947795083 /nfs/dbraw/zinc/79/50/83/947795083.db2.gz RJYNIPPPOUWGBA-ORAYPTAESA-N 0 1 382.472 1.522 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001573374618 947812468 /nfs/dbraw/zinc/81/24/68/947812468.db2.gz OOBNSWMFJLQYEP-HIFRSBDPSA-N 0 1 385.472 1.543 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573375107 947816243 /nfs/dbraw/zinc/81/62/43/947816243.db2.gz QURLBTWVARSHIK-RHSMWYFYSA-N 0 1 385.472 1.624 20 0 GDADMN C[C@H](C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccs1 ZINC001573637590 947819993 /nfs/dbraw/zinc/81/99/93/947819993.db2.gz JSXPYRXCTGEEQS-LBPRGKRZSA-N 0 1 384.469 1.561 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1-c1nnn[n-]1 ZINC000826298051 947863547 /nfs/dbraw/zinc/86/35/47/947863547.db2.gz AXANHTOFGHJYDC-UHFFFAOYSA-N 0 1 383.456 1.604 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1-c1nn[n-]n1 ZINC000826298051 947863551 /nfs/dbraw/zinc/86/35/51/947863551.db2.gz AXANHTOFGHJYDC-UHFFFAOYSA-N 0 1 383.456 1.604 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573657665 948002394 /nfs/dbraw/zinc/00/23/94/948002394.db2.gz OJKLHXAQXKIANK-VIFPVBQESA-N 0 1 384.366 1.330 20 0 GDADMN CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3(C(=O)[O-])CCOCC3)cc2)CC1 ZINC001602745254 971448300 /nfs/dbraw/zinc/44/83/00/971448300.db2.gz VMWQFPCHUWAOKT-UHFFFAOYSA-N 0 1 389.452 1.171 20 0 GDADMN Cc1onc(CC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1-c1nn[n-]n1 ZINC000826347026 948048546 /nfs/dbraw/zinc/04/85/46/948048546.db2.gz BSRDWBCZYMYWQZ-UHFFFAOYSA-N 0 1 391.501 1.183 20 0 GDADMN C[C@@H](C(=O)NC1CC2(C1)CC(Nc1ccncc1-c1nn[nH]n1)C2)n1cccc1 ZINC001573664212 948051955 /nfs/dbraw/zinc/05/19/55/948051955.db2.gz CXXNSAGXEQQISS-SIFYEQCOSA-N 0 1 392.467 1.586 20 0 GDADMN C[C@H](C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(C)C ZINC001573664362 948052352 /nfs/dbraw/zinc/05/23/52/948052352.db2.gz UNKAAIVUJGHYLV-OLZOCXBDSA-N 0 1 384.488 1.814 20 0 GDADMN Cc1onc(CC(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1-c1nnn[n-]1 ZINC000826349083 948088803 /nfs/dbraw/zinc/08/88/03/948088803.db2.gz SPMBRFHPXYDFGG-UHFFFAOYSA-N 0 1 385.428 1.675 20 0 GDADMN Cc1onc(CC(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1-c1nn[n-]n1 ZINC000826349083 948088810 /nfs/dbraw/zinc/08/88/10/948088810.db2.gz SPMBRFHPXYDFGG-UHFFFAOYSA-N 0 1 385.428 1.675 20 0 GDADMN CC(=O)N(Cc1ccccc1)[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001573415609 948111937 /nfs/dbraw/zinc/11/19/37/948111937.db2.gz ZANXKEROYJBAEI-WOJBJXKFSA-N 0 1 392.463 1.461 20 0 GDADMN Cn1cc([C@H]2CCN([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000826360028 948118130 /nfs/dbraw/zinc/11/81/30/948118130.db2.gz VRXGMVNMZFTWEY-YJBOKZPZSA-N 0 1 392.467 1.585 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573677464 948138076 /nfs/dbraw/zinc/13/80/76/948138076.db2.gz AUXNVBXSQJWOJK-SJKOYZFVSA-N 0 1 378.440 1.189 20 0 GDADMN C[C@@H](C(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(C)C ZINC001573678576 948153298 /nfs/dbraw/zinc/15/32/98/948153298.db2.gz FHOACOLXWFDDBT-JGVFFNPUSA-N 0 1 387.897 1.548 20 0 GDADMN CC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001573426691 948158502 /nfs/dbraw/zinc/15/85/02/948158502.db2.gz OHCVGDVPPOQVCR-LBPRGKRZSA-N 0 1 376.486 1.530 20 0 GDADMN O=C1[C@H](N2CCC[C@H](c3cc[nH]n3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476728 948382913 /nfs/dbraw/zinc/38/29/13/948382913.db2.gz NKQMHIFIUQJRIE-MAUKXSAKSA-N 0 1 392.467 1.965 20 0 GDADMN O=C1[C@@H](N2CCC[C@@H](c3cc[nH]n3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476729 948383796 /nfs/dbraw/zinc/38/37/96/948383796.db2.gz NKQMHIFIUQJRIE-QAPCUYQASA-N 0 1 392.467 1.965 20 0 GDADMN C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573708325 948448208 /nfs/dbraw/zinc/44/82/08/948448208.db2.gz UAZSDQLRIQVXHX-LBPRGKRZSA-N 0 1 382.428 1.386 20 0 GDADMN C[C@@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573713929 948466996 /nfs/dbraw/zinc/46/69/96/948466996.db2.gz CIBHTESVTPWFPP-GFCCVEGCSA-N 0 1 386.435 1.091 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573714756 948477187 /nfs/dbraw/zinc/47/71/87/948477187.db2.gz JSQVMZXYSPAXFW-QWRGUYRKSA-N 0 1 380.403 1.281 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573714983 948480605 /nfs/dbraw/zinc/48/06/05/948480605.db2.gz MLDXWGZBXSRVQZ-UONOGXRCSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573715285 948488044 /nfs/dbraw/zinc/48/80/44/948488044.db2.gz SNCGULSKHZNSLC-QWRGUYRKSA-N 0 1 383.378 1.793 20 0 GDADMN CC(C)[C@@H](CCNC(=O)[C@@H](C)C1CCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573716530 948498388 /nfs/dbraw/zinc/49/83/88/948498388.db2.gz HHNXBKNATWAIOS-DZGCQCFKSA-N 0 1 386.504 1.848 20 0 GDADMN C[C@H]([C@H](C)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573746538 948684092 /nfs/dbraw/zinc/68/40/92/948684092.db2.gz KTOMPIAJQGUHAK-CRWXNKLISA-N 0 1 386.504 1.704 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(F)(F)F ZINC001573752302 948713011 /nfs/dbraw/zinc/71/30/11/948713011.db2.gz MRJHDDXQFKCHFS-BXSSEVMYSA-N 0 1 386.403 1.673 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)C(F)(F)F ZINC001573752302 948713013 /nfs/dbraw/zinc/71/30/13/948713013.db2.gz MRJHDDXQFKCHFS-BXSSEVMYSA-N 0 1 386.403 1.673 20 0 GDADMN CC(F)(F)C1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575221813 948751046 /nfs/dbraw/zinc/75/10/46/948751046.db2.gz DGGJBZRMRQQFBX-JTQLQIEISA-N 0 1 378.387 1.177 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccn(C)n1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916700 948788097 /nfs/dbraw/zinc/78/80/97/948788097.db2.gz HTKHHMQODNAWTR-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccn(C)n1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916700 948788109 /nfs/dbraw/zinc/78/81/09/948788109.db2.gz HTKHHMQODNAWTR-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)c1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574420197 948792709 /nfs/dbraw/zinc/79/27/09/948792709.db2.gz PTHHIXYEDHGJIV-HWWDLCQESA-N 0 1 392.467 1.573 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001573756145 948800000 /nfs/dbraw/zinc/80/00/00/948800000.db2.gz MFOOCSVHXWCDJE-POZUXBRTSA-N 0 1 392.463 1.729 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001574080742 948802513 /nfs/dbraw/zinc/80/25/13/948802513.db2.gz MUNFBXACJRQRMS-HFBAOOFYSA-N 0 1 378.427 1.936 20 0 GDADMN CC(F)(F)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575227799 948833675 /nfs/dbraw/zinc/83/36/75/948833675.db2.gz ZLTNABSCQIWXFZ-WDEREUQCSA-N 0 1 378.387 1.129 20 0 GDADMN CC(C)(C(=O)N(CCO)CCNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573761153 948837035 /nfs/dbraw/zinc/83/70/35/948837035.db2.gz DZCGZRUCCDJZJX-UHFFFAOYSA-N 0 1 390.463 1.353 20 0 GDADMN CC(C)c1cnc(CNC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)o1 ZINC001574424338 948849861 /nfs/dbraw/zinc/84/98/61/948849861.db2.gz LBBMZOJTFBRSIV-AULYBMBSSA-N 0 1 384.444 1.604 20 0 GDADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918789 948858234 /nfs/dbraw/zinc/85/82/34/948858234.db2.gz QLYVQRQYBKZKBK-AWEZNQCLSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918789 948858252 /nfs/dbraw/zinc/85/82/52/948858252.db2.gz QLYVQRQYBKZKBK-AWEZNQCLSA-N 0 1 387.492 1.087 20 0 GDADMN CC(F)(F)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001575229962 948865170 /nfs/dbraw/zinc/86/51/70/948865170.db2.gz XGSFDUJPTFUIJM-GFCCVEGCSA-N 0 1 382.390 1.989 20 0 GDADMN CC(F)(F)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001575229962 948865190 /nfs/dbraw/zinc/86/51/90/948865190.db2.gz XGSFDUJPTFUIJM-GFCCVEGCSA-N 0 1 382.390 1.989 20 0 GDADMN CC(C)(C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001573763113 948865984 /nfs/dbraw/zinc/86/59/84/948865984.db2.gz BCQOOUSXBCSSLF-UHFFFAOYSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@H](CNC(=O)CCc1nccs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920296 948893989 /nfs/dbraw/zinc/89/39/89/948893989.db2.gz HXLCGEAAVHJNEZ-LLVKDONJSA-N 0 1 389.460 1.689 20 0 GDADMN CC(F)(F)CCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001575236108 948935841 /nfs/dbraw/zinc/93/58/41/948935841.db2.gz VWMHGKXOORPBDE-NWDGAFQWSA-N 0 1 392.414 1.519 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574089013 948940840 /nfs/dbraw/zinc/94/08/40/948940840.db2.gz FQRVHJNIGJKSNR-JLOCXQCDSA-N 0 1 384.459 1.844 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574433125 948945226 /nfs/dbraw/zinc/94/52/26/948945226.db2.gz IEUSXBQLNBLTTJ-LLVKDONJSA-N 0 1 388.501 1.693 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574433125 948945243 /nfs/dbraw/zinc/94/52/43/948945243.db2.gz IEUSXBQLNBLTTJ-LLVKDONJSA-N 0 1 388.501 1.693 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C(F)F ZINC001573772091 948951671 /nfs/dbraw/zinc/95/16/71/948951671.db2.gz QHIRSDDCVCBNKC-STQMWFEESA-N 0 1 391.426 1.814 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574433618 948960498 /nfs/dbraw/zinc/96/04/98/948960498.db2.gz ZEFBSMYNILYDDS-LLVKDONJSA-N 0 1 386.485 1.750 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574433618 948960505 /nfs/dbraw/zinc/96/05/05/948960505.db2.gz ZEFBSMYNILYDDS-LLVKDONJSA-N 0 1 386.485 1.750 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089959 948972138 /nfs/dbraw/zinc/97/21/38/948972138.db2.gz GSQDRDVSXVUKFF-HUUCEWRRSA-N 0 1 384.488 1.624 20 0 GDADMN CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001574090259 948980743 /nfs/dbraw/zinc/98/07/43/948980743.db2.gz MKBJWUNXLLMKGC-KGZPDETFSA-N 0 1 381.484 1.839 20 0 GDADMN CC(C)(C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[NH+]1CCCC1 ZINC001573773651 948989961 /nfs/dbraw/zinc/98/99/61/948989961.db2.gz OMJIYZOVFHSLGW-UHFFFAOYSA-N 0 1 375.502 1.103 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573773632 948991048 /nfs/dbraw/zinc/99/10/48/948991048.db2.gz NZSJGSXBFAWZRP-CQSZACIVSA-N 0 1 384.488 1.221 20 0 GDADMN CC(C)(C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001573774063 948998797 /nfs/dbraw/zinc/99/87/97/948998797.db2.gz PWZHBYZGCWZETD-UHFFFAOYSA-N 0 1 392.467 1.720 20 0 GDADMN CC(C)(C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[NH+]1CCCC1 ZINC001573774540 949012231 /nfs/dbraw/zinc/01/22/31/949012231.db2.gz UWTSHLBCELZVMY-UHFFFAOYSA-N 0 1 384.488 1.221 20 0 GDADMN C[C@H](CNC(=O)CN1CCCC1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926802 949019587 /nfs/dbraw/zinc/01/95/87/949019587.db2.gz XTDNJCAFKSBQMW-LLVKDONJSA-N 0 1 378.868 1.175 20 0 GDADMN CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573779231 949054522 /nfs/dbraw/zinc/05/45/22/949054522.db2.gz DROJOGAEODBGQC-SFHVURJKSA-N 0 1 390.513 1.417 20 0 GDADMN CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573779231 949054542 /nfs/dbraw/zinc/05/45/42/949054542.db2.gz DROJOGAEODBGQC-SFHVURJKSA-N 0 1 390.513 1.417 20 0 GDADMN CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574093049 949093719 /nfs/dbraw/zinc/09/37/19/949093719.db2.gz VXKYSAGPQSRPSY-IFXJQAMLSA-N 0 1 384.488 1.766 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574446089 949119834 /nfs/dbraw/zinc/11/98/34/949119834.db2.gz ICQYSAVIAUCEDP-LLVKDONJSA-N 0 1 390.469 1.525 20 0 GDADMN CC(C)(C(=O)NC/C=C\CNc1ccncc1-c1nn[nH]n1)c1ccccc1 ZINC001573782710 949129975 /nfs/dbraw/zinc/12/99/75/949129975.db2.gz VTBYKBXHKNHPLB-SREVYHEPSA-N 0 1 377.452 1.746 20 0 GDADMN C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251233 949135778 /nfs/dbraw/zinc/13/57/78/949135778.db2.gz MLIVKNOGZFXZQL-VXGBXAGGSA-N 0 1 386.485 1.322 20 0 GDADMN C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575252854 949175109 /nfs/dbraw/zinc/17/51/09/949175109.db2.gz IABZOTSNEUFVOM-STQMWFEESA-N 0 1 388.451 1.518 20 0 GDADMN CC(C)c1oncc1C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001574448180 949178264 /nfs/dbraw/zinc/17/82/64/949178264.db2.gz FAFLWIMLJBUQBM-LBPRGKRZSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575253586 949193540 /nfs/dbraw/zinc/19/35/40/949193540.db2.gz KUYCUYFDBISZIQ-QWHCGFSZSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccncc1-c1nn[nH]n1 ZINC001574936166 949210665 /nfs/dbraw/zinc/21/06/65/949210665.db2.gz HUJAGPHWDMCWPF-NSHDSACASA-N 0 1 387.394 1.369 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575516935 949216718 /nfs/dbraw/zinc/21/67/18/949216718.db2.gz RSQSZRUIDZWBCZ-LBPRGKRZSA-N 0 1 381.444 1.330 20 0 GDADMN C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576151507 949228711 /nfs/dbraw/zinc/22/87/11/949228711.db2.gz GCRIOWRJWBYOCH-AJNGGQMLSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576152208 949245776 /nfs/dbraw/zinc/24/57/76/949245776.db2.gz IZNLLCJYOGKZEA-ZIAGYGMSSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](c1cnccn1)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575521613 949261397 /nfs/dbraw/zinc/26/13/97/949261397.db2.gz HTPBRKXLPSXWRX-UHYGZKCKSA-N 0 1 393.455 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(F)CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574701753 949267744 /nfs/dbraw/zinc/26/77/44/949267744.db2.gz CMTOLCQJBVRIIH-NSHDSACASA-N 0 1 382.465 1.383 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(F)CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574701753 949267766 /nfs/dbraw/zinc/26/77/66/949267766.db2.gz CMTOLCQJBVRIIH-NSHDSACASA-N 0 1 382.465 1.383 20 0 GDADMN C[C@H](CN(C)C(=O)C1(C2CCCCC2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702370 949278581 /nfs/dbraw/zinc/27/85/81/949278581.db2.gz HVXHENRVAKZTEI-CYBMUJFWSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](NC(=O)C1=COCCC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575257771 949284275 /nfs/dbraw/zinc/28/42/75/949284275.db2.gz BRXIUIZOVJERLJ-LBPRGKRZSA-N 0 1 386.431 1.637 20 0 GDADMN CC(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574108991 949310774 /nfs/dbraw/zinc/31/07/74/949310774.db2.gz UAISKWNHDNFIIU-KRWDZBQOSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574108991 949310796 /nfs/dbraw/zinc/31/07/96/949310796.db2.gz UAISKWNHDNFIIU-KRWDZBQOSA-N 0 1 378.502 1.417 20 0 GDADMN C[C@@H](c1ncccn1)N(C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575524600 949321955 /nfs/dbraw/zinc/32/19/55/949321955.db2.gz UXISXQRBIDCDGJ-LBPRGKRZSA-N 0 1 381.444 1.282 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703355 949324151 /nfs/dbraw/zinc/32/41/51/949324151.db2.gz UTUBPJNSKQDAGU-SGTLLEGYSA-N 0 1 376.436 1.369 20 0 GDADMN CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574457786 949332168 /nfs/dbraw/zinc/33/21/68/949332168.db2.gz OEEXGOYNHNHGMY-ZDUSSCGKSA-N 0 1 381.444 1.035 20 0 GDADMN C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575259923 949345644 /nfs/dbraw/zinc/34/56/44/949345644.db2.gz SLQOBMZVDNAOEN-NXEZZACHSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)n1ccc(CC(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001574459599 949364347 /nfs/dbraw/zinc/36/43/47/949364347.db2.gz JTAYIWHYWLBGBZ-GFCCVEGCSA-N 0 1 388.501 1.543 20 0 GDADMN CC(C)n1ccc(CC(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001574459599 949364371 /nfs/dbraw/zinc/36/43/71/949364371.db2.gz JTAYIWHYWLBGBZ-GFCCVEGCSA-N 0 1 388.501 1.543 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccon1 ZINC001576155292 949392849 /nfs/dbraw/zinc/39/28/49/949392849.db2.gz HTPFAOBSJCIPCK-KZULUSFZSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575866080 949393295 /nfs/dbraw/zinc/39/32/95/949393295.db2.gz CNTHKTYERKVHJO-BXUZGUMPSA-N 0 1 382.472 1.566 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001574464185 949403436 /nfs/dbraw/zinc/40/34/36/949403436.db2.gz IMSIXBSRXQRGIC-GFCCVEGCSA-N 0 1 386.485 1.710 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001574464185 949403448 /nfs/dbraw/zinc/40/34/48/949403448.db2.gz IMSIXBSRXQRGIC-GFCCVEGCSA-N 0 1 386.485 1.710 20 0 GDADMN CC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001573802551 949420537 /nfs/dbraw/zinc/42/05/37/949420537.db2.gz IATPRFGZGVSKAW-UHFFFAOYSA-N 0 1 378.502 1.729 20 0 GDADMN CC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001573802551 949420549 /nfs/dbraw/zinc/42/05/49/949420549.db2.gz IATPRFGZGVSKAW-UHFFFAOYSA-N 0 1 378.502 1.729 20 0 GDADMN CC(C)CC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001574116580 949428882 /nfs/dbraw/zinc/42/88/82/949428882.db2.gz ARIOQPKHVYVMPE-IUCAKERBSA-N 0 1 385.881 1.079 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574705580 949430960 /nfs/dbraw/zinc/43/09/60/949430960.db2.gz ISGVKPBYQNDQDZ-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705580 949431009 /nfs/dbraw/zinc/43/10/09/949431009.db2.gz ISGVKPBYQNDQDZ-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705580 949431028 /nfs/dbraw/zinc/43/10/28/949431028.db2.gz ISGVKPBYQNDQDZ-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)(C)C(=O)NC[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1 ZINC001573803301 949439483 /nfs/dbraw/zinc/43/94/83/949439483.db2.gz QGRFHNLUIHHEMX-HNNXBMFYSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574706485 949457887 /nfs/dbraw/zinc/45/78/87/949457887.db2.gz ZALYICJVQHPDDF-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574706485 949457898 /nfs/dbraw/zinc/45/78/98/949457898.db2.gz ZALYICJVQHPDDF-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)CC(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574117477 949470979 /nfs/dbraw/zinc/47/09/79/949470979.db2.gz VMGVGWOQSGNCPS-GOSISDBHSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157071 949474962 /nfs/dbraw/zinc/47/49/62/949474962.db2.gz PEJQCXGCMLVGBK-KPZWWZAWSA-N 0 1 381.444 1.198 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574949999 949524707 /nfs/dbraw/zinc/52/47/07/949524707.db2.gz JJDKKOPTYHRZNM-UONOGXRCSA-N 0 1 380.456 1.476 20 0 GDADMN CC1(C(=O)N2CCC[C@H]([C@@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CC1 ZINC001575539051 949538725 /nfs/dbraw/zinc/53/87/25/949538725.db2.gz LWAFUUHEVAGSMD-UONOGXRCSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164204 949549315 /nfs/dbraw/zinc/54/93/15/949549315.db2.gz FBEAZFRGTNDNQT-UWVGGRQHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574472692 949556323 /nfs/dbraw/zinc/55/63/23/949556323.db2.gz VPVWRTCZIMMVQL-IUDNXUCKSA-N 0 1 392.467 1.674 20 0 GDADMN CC1(C(=O)N2CCC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575540842 949573128 /nfs/dbraw/zinc/57/31/28/949573128.db2.gz ZKSIYUWYUMNGSX-CQSZACIVSA-N 0 1 385.472 1.151 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCO1 ZINC001573811719 949605295 /nfs/dbraw/zinc/60/52/95/949605295.db2.gz NCICTOBVFOQXHP-GXTWGEPZSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCO1 ZINC001573811719 949605304 /nfs/dbraw/zinc/60/53/04/949605304.db2.gz NCICTOBVFOQXHP-GXTWGEPZSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCOC1 ZINC001573811597 949605942 /nfs/dbraw/zinc/60/59/42/949605942.db2.gz MHFZHCNNOOVTKH-SMDDNHRTSA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCOC1 ZINC001573811597 949605958 /nfs/dbraw/zinc/60/59/58/949605958.db2.gz MHFZHCNNOOVTKH-SMDDNHRTSA-N 0 1 378.502 1.585 20 0 GDADMN CC1(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575546426 949609768 /nfs/dbraw/zinc/60/97/68/949609768.db2.gz QGHPZNYSTDQYEH-KBPBESRZSA-N 0 1 382.472 1.807 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCOC1 ZINC001573812645 949620481 /nfs/dbraw/zinc/62/04/81/949620481.db2.gz SODMKFQTQHTUAG-SWLSCSKDSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCOC1 ZINC001573812645 949620495 /nfs/dbraw/zinc/62/04/95/949620495.db2.gz SODMKFQTQHTUAG-SWLSCSKDSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574957772 949633365 /nfs/dbraw/zinc/63/33/65/949633365.db2.gz ICGRKIYMMIMNOB-LSDHHAIUSA-N 0 1 379.468 1.727 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1C(C)(C)C1(C)C ZINC001573814157 949634739 /nfs/dbraw/zinc/63/47/39/949634739.db2.gz ATTOGSFNZOQTNA-NSHDSACASA-N 0 1 386.504 1.704 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CC12CCCC2 ZINC001573815216 949648825 /nfs/dbraw/zinc/64/88/25/949648825.db2.gz GWCFMQVHRBPROF-QWHCGFSZSA-N 0 1 384.488 1.602 20 0 GDADMN CC1(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)CC(F)(F)C1 ZINC001575552189 949679429 /nfs/dbraw/zinc/67/94/29/949679429.db2.gz BUMRBGDFFUSWNQ-TXEJJXNPSA-N 0 1 389.410 1.592 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574958576 949682185 /nfs/dbraw/zinc/68/21/85/949682185.db2.gz LMUYLGXBEQWOPZ-RAIGVLPGSA-N 0 1 386.485 1.060 20 0 GDADMN C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCO1 ZINC001574477968 949689553 /nfs/dbraw/zinc/68/95/53/949689553.db2.gz WNSKLPQRRDMYMQ-KGLIPLIRSA-N 0 1 388.476 1.147 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCC12CC2 ZINC001573817291 949698345 /nfs/dbraw/zinc/69/83/45/949698345.db2.gz ZETISFZLXPEKOG-STQMWFEESA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574137755 949766636 /nfs/dbraw/zinc/76/66/36/949766636.db2.gz XEOGJWUJXORQHY-DZGCQCFKSA-N 0 1 386.504 1.800 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574137883 949771941 /nfs/dbraw/zinc/77/19/41/949771941.db2.gz YOYRBQQRZDRFGT-HUUCEWRRSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2ccncc2-c2nn[nH]n2)C3)C=CCC1 ZINC001575560195 949781352 /nfs/dbraw/zinc/78/13/52/949781352.db2.gz MEDRACKPDXUQIX-LDOBDJHISA-N 0 1 379.468 1.879 20 0 GDADMN C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574721176 949808561 /nfs/dbraw/zinc/80/85/61/949808561.db2.gz JZKHVPTZJXYIDA-CQSZACIVSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574721500 949821226 /nfs/dbraw/zinc/82/12/26/949821226.db2.gz MOCFNXNIDWBVFL-LBPRGKRZSA-N 0 1 384.419 1.109 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573823912 949845634 /nfs/dbraw/zinc/84/56/34/949845634.db2.gz BINRCIKOQRVJPQ-VXGQWTEUSA-N 0 1 398.515 1.848 20 0 GDADMN C[C@H](NC(=O)COCC1CC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575283131 949858502 /nfs/dbraw/zinc/85/85/02/949858502.db2.gz NNEDMLVTIITNRL-YUMQZZPRSA-N 0 1 385.881 1.708 20 0 GDADMN C[C@@H](NC(=O)CCn1cccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283389 949869098 /nfs/dbraw/zinc/86/90/98/949869098.db2.gz FXNKXPQNXWNKAF-CQSZACIVSA-N 0 1 380.456 1.090 20 0 GDADMN CC(C)(C)C1CC(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573825449 949878905 /nfs/dbraw/zinc/87/89/05/949878905.db2.gz WDRRDSUNBSPJQY-JXQTWKCFSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1CNCc1nccs1 ZINC001576178626 949894535 /nfs/dbraw/zinc/89/45/35/949894535.db2.gz CICVQRJIOHDEEF-BXUZGUMPSA-N 0 1 386.485 1.682 20 0 GDADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC001589672463 949947090 /nfs/dbraw/zinc/94/70/90/949947090.db2.gz MLOQFVZPHBTKKS-INIZCTEOSA-N 0 1 382.482 1.242 20 0 GDADMN C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574727022 949950427 /nfs/dbraw/zinc/95/04/27/949950427.db2.gz NLNHZKWMZIBNKI-GFCCVEGCSA-N 0 1 385.403 1.161 20 0 GDADMN C[C@@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001574489662 949971213 /nfs/dbraw/zinc/97/12/13/949971213.db2.gz KJCCMGGAGCIKIY-SUMWQHHRSA-N 0 1 380.456 1.443 20 0 GDADMN CCC[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@H]1CC(=O)N(C)C1=O ZINC001589674412 949977586 /nfs/dbraw/zinc/97/75/86/949977586.db2.gz SUYKLPWCLLWJMA-HIFRSBDPSA-N 0 1 377.441 1.550 20 0 GDADMN CCC[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@H]1CC(=O)N(C)C1=O ZINC001589674412 949977599 /nfs/dbraw/zinc/97/75/99/949977599.db2.gz SUYKLPWCLLWJMA-HIFRSBDPSA-N 0 1 377.441 1.550 20 0 GDADMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001602820329 971625063 /nfs/dbraw/zinc/62/50/63/971625063.db2.gz RFMOQUDHYAKZGU-ZIAGYGMSSA-N 0 1 383.489 1.687 20 0 GDADMN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001576181451 950006207 /nfs/dbraw/zinc/00/62/07/950006207.db2.gz UPHXBWPJAQAHTE-RYUDHWBXSA-N 0 1 382.465 1.405 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574729616 950022206 /nfs/dbraw/zinc/02/22/06/950022206.db2.gz PDCPZMSREYGRFE-ZDUSSCGKSA-N 0 1 392.467 1.069 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574491792 950043073 /nfs/dbraw/zinc/04/30/73/950043073.db2.gz GDCMJRAZPKWVBY-UWVGGRQHSA-N 0 1 384.366 1.330 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001573835539 950052293 /nfs/dbraw/zinc/05/22/93/950052293.db2.gz XQHXWOIRYFOUFG-AWEZNQCLSA-N 0 1 386.504 1.992 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@H]1CCOC1 ZINC001574151053 950057113 /nfs/dbraw/zinc/05/71/13/950057113.db2.gz KDWBRQUYOMMHOK-ZIAGYGMSSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@H]1CCOC1 ZINC001574151053 950057135 /nfs/dbraw/zinc/05/71/35/950057135.db2.gz KDWBRQUYOMMHOK-ZIAGYGMSSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCOC1 ZINC001574151671 950088150 /nfs/dbraw/zinc/08/81/50/950088150.db2.gz XQWNEJYJNRSCLB-STQMWFEESA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCOC1 ZINC001574151671 950088172 /nfs/dbraw/zinc/08/81/72/950088172.db2.gz XQWNEJYJNRSCLB-STQMWFEESA-N 0 1 378.502 1.585 20 0 GDADMN C[C@H](CN(C)C(=O)Cn1ccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574733008 950092443 /nfs/dbraw/zinc/09/24/43/950092443.db2.gz PPZLLWJPNHNGIA-MRVPVSSYSA-N 0 1 381.853 1.132 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccon1 ZINC001574151839 950095487 /nfs/dbraw/zinc/09/54/87/950095487.db2.gz ZCGGKDLDMWFENT-NSHDSACASA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccon1 ZINC001574151839 950095509 /nfs/dbraw/zinc/09/55/09/950095509.db2.gz ZCGGKDLDMWFENT-NSHDSACASA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574151867 950099180 /nfs/dbraw/zinc/09/91/80/950099180.db2.gz ZUIYUHVIEGASBR-ZDUSSCGKSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574151867 950099197 /nfs/dbraw/zinc/09/91/97/950099197.db2.gz ZUIYUHVIEGASBR-ZDUSSCGKSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574151866 950099801 /nfs/dbraw/zinc/09/98/01/950099801.db2.gz ZUIYUHVIEGASBR-CYBMUJFWSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574151866 950099821 /nfs/dbraw/zinc/09/98/21/950099821.db2.gz ZUIYUHVIEGASBR-CYBMUJFWSA-N 0 1 388.501 1.515 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574493021 950111751 /nfs/dbraw/zinc/11/17/51/950111751.db2.gz QSGHFMANHFHRMA-RHSMWYFYSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184055 950114299 /nfs/dbraw/zinc/11/42/99/950114299.db2.gz VNPOPCOGGVOWRA-GXTWGEPZSA-N 0 1 381.444 1.150 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575896816 950134919 /nfs/dbraw/zinc/13/49/19/950134919.db2.gz NRXGOMSWJKCJNC-RISCZKNCSA-N 0 1 386.485 1.445 20 0 GDADMN CC(C)(C)CC(=O)NCCN1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001573839807 950135233 /nfs/dbraw/zinc/13/52/33/950135233.db2.gz XGOZHWVWBIITHT-UHFFFAOYSA-N 0 1 386.504 1.690 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576185020 950152544 /nfs/dbraw/zinc/15/25/44/950152544.db2.gz YSXFPGMIXYVILX-FZMZJTMJSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576185020 950152554 /nfs/dbraw/zinc/15/25/54/950152554.db2.gz YSXFPGMIXYVILX-FZMZJTMJSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575584007 950159090 /nfs/dbraw/zinc/15/90/90/950159090.db2.gz OGKNNZRXAHZSNQ-PWGQDJSOSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575584007 950159100 /nfs/dbraw/zinc/15/91/00/950159100.db2.gz OGKNNZRXAHZSNQ-PWGQDJSOSA-N 0 1 390.513 1.729 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(CCF)CC1 ZINC001574154109 950166479 /nfs/dbraw/zinc/16/64/79/950166479.db2.gz BHEFHGZDGXDSLW-LBPRGKRZSA-N 0 1 376.440 1.161 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574494785 950183127 /nfs/dbraw/zinc/18/31/27/950183127.db2.gz OKLSINBXMWCWPY-AAEUAGOBSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ncccn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900654 950202517 /nfs/dbraw/zinc/20/25/17/950202517.db2.gz HBWNETIZMZDSBD-BBRMVZONSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574157391 950232310 /nfs/dbraw/zinc/23/23/10/950232310.db2.gz AHHIPFLXOKRECR-KUHUBIRLSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573846926 950252837 /nfs/dbraw/zinc/25/28/37/950252837.db2.gz WNGARJGVZYGVST-IGQOVBAYSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906045 950302039 /nfs/dbraw/zinc/30/20/39/950302039.db2.gz GIOKINOGPQODRY-BXKDBHETSA-N 0 1 375.433 1.788 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906045 950302061 /nfs/dbraw/zinc/30/20/61/950302061.db2.gz GIOKINOGPQODRY-BXKDBHETSA-N 0 1 375.433 1.788 20 0 GDADMN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001574500365 950313764 /nfs/dbraw/zinc/31/37/64/950313764.db2.gz ZUSJLZDWEUDYLI-VXGBXAGGSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001574500365 950313784 /nfs/dbraw/zinc/31/37/84/950313784.db2.gz ZUSJLZDWEUDYLI-VXGBXAGGSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574501245 950323571 /nfs/dbraw/zinc/32/35/71/950323571.db2.gz CCQAYXGMLPOTAL-HUUCEWRRSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cscn1 ZINC001575907385 950336124 /nfs/dbraw/zinc/33/61/24/950336124.db2.gz NUGKDRUWDWCBLJ-KOLCDFICSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cscn1 ZINC001575907385 950336147 /nfs/dbraw/zinc/33/61/47/950336147.db2.gz NUGKDRUWDWCBLJ-KOLCDFICSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H](CN(C)C(=O)c1c(F)cccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574744307 950352320 /nfs/dbraw/zinc/35/23/20/950352320.db2.gz YNXMWNFMVLHPCC-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)CCc1cnc[nH]1 ZINC001574160953 950352647 /nfs/dbraw/zinc/35/26/47/950352647.db2.gz RRUWXJJSSLQUMW-CQSZACIVSA-N 0 1 383.460 1.560 20 0 GDADMN CC1CC[NH+](CC(=O)N2CC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CC1 ZINC001576196919 950378921 /nfs/dbraw/zinc/37/89/21/950378921.db2.gz JASXCDMNVREIES-AWEZNQCLSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)C1 ZINC001576197258 950381802 /nfs/dbraw/zinc/38/18/02/950381802.db2.gz MEMFNXAPYAOYIG-XJKSGUPXSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)C1 ZINC001576197258 950381818 /nfs/dbraw/zinc/38/18/18/950381818.db2.gz MEMFNXAPYAOYIG-XJKSGUPXSA-N 0 1 384.488 1.252 20 0 GDADMN CC(C)n1ccc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C)n1 ZINC001575909071 950387764 /nfs/dbraw/zinc/38/77/64/950387764.db2.gz FODOMCKEAYXNDK-TZMCWYRMSA-N 0 1 383.460 1.365 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909356 950394672 /nfs/dbraw/zinc/39/46/72/950394672.db2.gz YWHKKGYJWOPRDV-GXFFZTMASA-N 0 1 389.510 1.706 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909356 950394685 /nfs/dbraw/zinc/39/46/85/950394685.db2.gz YWHKKGYJWOPRDV-GXFFZTMASA-N 0 1 389.510 1.706 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576198063 950404231 /nfs/dbraw/zinc/40/42/31/950404231.db2.gz RLGREPRSMLIVDD-AWEZNQCLSA-N 0 1 389.479 1.632 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576198063 950404243 /nfs/dbraw/zinc/40/42/43/950404243.db2.gz RLGREPRSMLIVDD-AWEZNQCLSA-N 0 1 389.479 1.632 20 0 GDADMN CC1CCN(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576202555 950432121 /nfs/dbraw/zinc/43/21/21/950432121.db2.gz AVJMSHZKQUGYCA-MRXNPFEDSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574506420 950433052 /nfs/dbraw/zinc/43/30/52/950433052.db2.gz CQIUDNVDCVFCNA-IIAWOOMASA-N 0 1 392.467 1.579 20 0 GDADMN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2c[nH]nc2-c2nn[nH]n2)ccn1 ZINC001573861049 950434855 /nfs/dbraw/zinc/43/48/55/950434855.db2.gz QLFSTCQDKAWPFI-UHFFFAOYSA-N 0 1 385.388 1.262 20 0 GDADMN C[C@H](CC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001574508123 950466577 /nfs/dbraw/zinc/46/65/77/950466577.db2.gz IVLIUNMNRVWXLZ-GFCCVEGCSA-N 0 1 384.419 1.542 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)CCOC1 ZINC001575605745 950482098 /nfs/dbraw/zinc/48/20/98/950482098.db2.gz RRTOKCMKFYNSTE-RTHLEPHNSA-N 0 1 383.865 1.098 20 0 GDADMN CC(C)C[C@H]1CN(C)CCN1C(=O)N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001574167650 950490460 /nfs/dbraw/zinc/49/04/60/950490460.db2.gz GWWWXEGZIJZDJT-ROUUACIJSA-N 0 1 383.500 1.706 20 0 GDADMN CC(C)(C)OCC(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573867164 950525173 /nfs/dbraw/zinc/52/51/73/950525173.db2.gz ROCQCWWTYLOZLC-CYBMUJFWSA-N 0 1 388.476 1.077 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573867321 950530581 /nfs/dbraw/zinc/53/05/81/950530581.db2.gz VVWQHFTXRHJOIH-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573867321 950530595 /nfs/dbraw/zinc/53/05/95/950530595.db2.gz VVWQHFTXRHJOIH-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575916859 950547747 /nfs/dbraw/zinc/54/77/47/950547747.db2.gz SSNWBNONICXYNZ-STQMWFEESA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575916859 950547762 /nfs/dbraw/zinc/54/77/62/950547762.db2.gz SSNWBNONICXYNZ-STQMWFEESA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574754100 950560585 /nfs/dbraw/zinc/56/05/85/950560585.db2.gz XXTIREZEJNFVCC-MRVPVSSYSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)cn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574999016 950563948 /nfs/dbraw/zinc/56/39/48/950563948.db2.gz CXAKQFAPHBGLGY-JTQLQIEISA-N 0 1 391.838 1.906 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1ccccc1 ZINC001574511631 950565549 /nfs/dbraw/zinc/56/55/49/950565549.db2.gz PEMRBOATSLOVSM-IIAWOOMASA-N 0 1 392.467 1.791 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576206922 950584102 /nfs/dbraw/zinc/58/41/02/950584102.db2.gz ZPZCTCMFUQBSOI-MLGOLLRUSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576206922 950584115 /nfs/dbraw/zinc/58/41/15/950584115.db2.gz ZPZCTCMFUQBSOI-MLGOLLRUSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575918164 950586752 /nfs/dbraw/zinc/58/67/52/950586752.db2.gz AUHXRPVEKIMXIV-ZYHUDNBSSA-N 0 1 392.414 1.305 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)n(C)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575000064 950594877 /nfs/dbraw/zinc/59/48/77/950594877.db2.gz AEXAPDXQHYVLTK-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574173856 950606216 /nfs/dbraw/zinc/60/62/16/950606216.db2.gz OJOADCMOUHTLQF-SFHVURJKSA-N 0 1 392.529 1.808 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574173856 950606228 /nfs/dbraw/zinc/60/62/28/950606228.db2.gz OJOADCMOUHTLQF-SFHVURJKSA-N 0 1 392.529 1.808 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575919847 950622931 /nfs/dbraw/zinc/62/29/31/950622931.db2.gz KNMRDCMFSGRLNO-ZFWWWQNUSA-N 0 1 378.440 1.113 20 0 GDADMN CC1(C)C(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1(C)C ZINC001575619798 950623904 /nfs/dbraw/zinc/62/39/04/950623904.db2.gz PTAVTXGXXICCBJ-NWDGAFQWSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575001866 950645189 /nfs/dbraw/zinc/64/51/89/950645189.db2.gz NSBLEAZGNZIGOJ-LLVKDONJSA-N 0 1 383.481 1.712 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001574517859 950650472 /nfs/dbraw/zinc/65/04/72/950650472.db2.gz MNGASIBYPMLRPL-GUIRCDHDSA-N 0 1 390.513 1.870 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001574517859 950650484 /nfs/dbraw/zinc/65/04/84/950650484.db2.gz MNGASIBYPMLRPL-GUIRCDHDSA-N 0 1 390.513 1.870 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1ccsc1 ZINC001575923530 950662517 /nfs/dbraw/zinc/66/25/17/950662517.db2.gz BTGBIUHHLFJZGG-RISCZKNCSA-N 0 1 385.453 1.225 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001574519372 950677521 /nfs/dbraw/zinc/67/75/21/950677521.db2.gz UEBJNKVPNADVOB-UPJWGTAASA-N 0 1 386.485 1.513 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001574519372 950677527 /nfs/dbraw/zinc/67/75/27/950677527.db2.gz UEBJNKVPNADVOB-UPJWGTAASA-N 0 1 386.485 1.513 20 0 GDADMN O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000380258009 971687062 /nfs/dbraw/zinc/68/70/62/971687062.db2.gz PCHKAMIXJHGSBB-QGZVFWFLSA-N 0 1 395.525 1.530 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575927037 950732323 /nfs/dbraw/zinc/73/23/23/950732323.db2.gz NFCMTVPJJSWCFA-SCZZXKLOSA-N 0 1 390.860 1.509 20 0 GDADMN CC(C)CCC(=O)NC[C@@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574181992 950752419 /nfs/dbraw/zinc/75/24/19/950752419.db2.gz RGJMTKXAWFMUBN-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC001575927732 950755153 /nfs/dbraw/zinc/75/51/53/950755153.db2.gz SYBVOHVKTODGTI-WBMJQRKESA-N 0 1 388.435 1.880 20 0 GDADMN C[C@@H](NC[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1nc(C2CC2)no1 ZINC001575008772 950756192 /nfs/dbraw/zinc/75/61/92/950756192.db2.gz HTUQDBLVWMSJNL-VHSXEESVSA-N 0 1 385.432 1.172 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnsn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574764974 950769732 /nfs/dbraw/zinc/76/97/32/950769732.db2.gz AXZSVTKILFMGRV-SECBINFHSA-N 0 1 376.421 1.108 20 0 GDADMN CC1(C)CC(CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575630780 950770676 /nfs/dbraw/zinc/77/06/76/950770676.db2.gz IGANEEWOWSRIRZ-LJQANCHMSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COC1CCCCC1 ZINC001575928093 950771533 /nfs/dbraw/zinc/77/15/33/950771533.db2.gz YMYVEGFTDXMERQ-BBRMVZONSA-N 0 1 385.472 1.434 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncs1 ZINC001575928132 950777413 /nfs/dbraw/zinc/77/74/13/950777413.db2.gz YZBNRBAYTWRVEY-SMDDNHRTSA-N 0 1 384.469 1.174 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575633725 950815399 /nfs/dbraw/zinc/81/53/99/950815399.db2.gz USQRXYPXRPTEPQ-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574523474 950818523 /nfs/dbraw/zinc/81/85/23/950818523.db2.gz NWWHSNDLWJWCDZ-NEPJUHHUSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574523474 950818552 /nfs/dbraw/zinc/81/85/52/950818552.db2.gz NWWHSNDLWJWCDZ-NEPJUHHUSA-N 0 1 388.501 1.277 20 0 GDADMN CC1(C)C[C@H](NC(=O)[C@H]2CC2(F)F)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575638394 950827731 /nfs/dbraw/zinc/82/77/31/950827731.db2.gz BHKZSOJWZOUWAK-GHMZBOCLSA-N 0 1 392.414 1.423 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccncn1 ZINC001575932838 950833817 /nfs/dbraw/zinc/83/38/17/950833817.db2.gz NHGSJYYIEBALRV-JGVFFNPUSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)Cc1cc(F)cc(F)c1 ZINC001575011112 950845951 /nfs/dbraw/zinc/84/59/51/950845951.db2.gz MUGJFHWLVVLQRH-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CN(C)C[C@@H](O)c1ccccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767992 950879481 /nfs/dbraw/zinc/87/94/81/950879481.db2.gz SGVOPPNLJPEQIB-MEDUHNTESA-N 0 1 387.419 1.118 20 0 GDADMN C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576225941 950879526 /nfs/dbraw/zinc/87/95/26/950879526.db2.gz ACTFLUMXKWGXPN-NHYWBVRUSA-N 0 1 391.426 1.768 20 0 GDADMN CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575641009 950909252 /nfs/dbraw/zinc/90/92/52/950909252.db2.gz NLKBMNCCDDPSST-LBPRGKRZSA-N 0 1 382.428 1.675 20 0 GDADMN CC(C)(CC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573897269 950956806 /nfs/dbraw/zinc/95/68/06/950956806.db2.gz OBKROIJEEYDSFE-CQSZACIVSA-N 0 1 390.463 1.399 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)CC(F)F ZINC001573897494 950965560 /nfs/dbraw/zinc/96/55/60/950965560.db2.gz RASIULQJTQYGSP-SNVBAGLBSA-N 0 1 380.403 1.423 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576229378 950965857 /nfs/dbraw/zinc/96/58/57/950965857.db2.gz LZCYYOKWQFEOLC-FZMZJTMJSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576229378 950965866 /nfs/dbraw/zinc/96/58/66/950965866.db2.gz LZCYYOKWQFEOLC-FZMZJTMJSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-n2cccc2)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575018338 951018224 /nfs/dbraw/zinc/01/82/24/951018224.db2.gz PKZBNHROFPUFHI-CQSZACIVSA-N 0 1 388.435 1.705 20 0 GDADMN CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001575024410 951101247 /nfs/dbraw/zinc/10/12/47/951101247.db2.gz DDAMXICFCJOUQM-LBPRGKRZSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575025786 951132585 /nfs/dbraw/zinc/13/25/85/951132585.db2.gz AJHVMTPPGFCUEN-MRVPVSSYSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@H](CNC(=O)c1cccc(=O)[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575026685 951145636 /nfs/dbraw/zinc/14/56/36/951145636.db2.gz MBSJEYCUNNKKEM-ZCFIWIBFSA-N 0 1 380.821 1.308 20 0 GDADMN C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027626 951163675 /nfs/dbraw/zinc/16/36/75/951163675.db2.gz HFUGHKWEISFKNC-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028394 951172966 /nfs/dbraw/zinc/17/29/66/951172966.db2.gz WGLFFVXZIHVCSU-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1ccccc1C1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575029752 951188640 /nfs/dbraw/zinc/18/86/40/951188640.db2.gz XHOUCHJAYOKPDX-LBPRGKRZSA-N 0 1 378.440 1.577 20 0 GDADMN C[C@@H](CNC(=O)c1ccncc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575035297 951269403 /nfs/dbraw/zinc/26/94/03/951269403.db2.gz VVQOUGVLZXYOCB-QMMMGPOBSA-N 0 1 378.849 1.850 20 0 GDADMN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001591997901 951274240 /nfs/dbraw/zinc/27/42/40/951274240.db2.gz IIRJUSKTDJQXGH-KBAYOESNSA-N 0 1 377.485 1.886 20 0 GDADMN C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575036715 951301002 /nfs/dbraw/zinc/30/10/02/951301002.db2.gz WQEMMNBIAVLDBT-NSHDSACASA-N 0 1 386.485 1.297 20 0 GDADMN C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575036715 951301010 /nfs/dbraw/zinc/30/10/10/951301010.db2.gz WQEMMNBIAVLDBT-NSHDSACASA-N 0 1 386.485 1.297 20 0 GDADMN C[C@H](CNC(=O)c1cnoc1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575055414 951505611 /nfs/dbraw/zinc/50/56/11/951505611.db2.gz SRIKWPMKVIXSAL-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNC(=O)c1coc(C2CC2)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575057862 951531871 /nfs/dbraw/zinc/53/18/71/951531871.db2.gz RTSIOWJAGMJILB-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575067998 951627183 /nfs/dbraw/zinc/62/71/83/951627183.db2.gz UUHKRPKCVDLPEB-GFCCVEGCSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575068821 951637866 /nfs/dbraw/zinc/63/78/66/951637866.db2.gz CSFZZYYZNWIWIC-JTQLQIEISA-N 0 1 384.469 1.850 20 0 GDADMN C[C@H](CNC(=O)c1sccc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575071340 951658215 /nfs/dbraw/zinc/65/82/15/951658215.db2.gz ZXYLYQPETZOLPY-SNVBAGLBSA-N 0 1 384.469 1.850 20 0 GDADMN C[C@H](CNCc1cc(C(C)(C)C)on1)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575080542 951712362 /nfs/dbraw/zinc/71/23/62/951712362.db2.gz XZYDLMYJXAKRRQ-LLVKDONJSA-N 0 1 386.460 1.636 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCOC1 ZINC001575089506 951750716 /nfs/dbraw/zinc/75/07/16/951750716.db2.gz GITNKWMXWAJVBJ-CHWSQXEVSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H](C)n1cccn1 ZINC001575089532 951751427 /nfs/dbraw/zinc/75/14/27/951751427.db2.gz GKLUDAFVRSNOAO-STQMWFEESA-N 0 1 386.435 1.400 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575090096 951757629 /nfs/dbraw/zinc/75/76/29/951757629.db2.gz JIXQKHNFRKKBDN-ZWNOBZJWSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575091204 951771688 /nfs/dbraw/zinc/77/16/88/951771688.db2.gz QDWQWOZFSRDCCP-ZIAGYGMSSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575091293 951773575 /nfs/dbraw/zinc/77/35/75/951773575.db2.gz QIJUZPLMOFVISP-APPDUMDISA-N 0 1 380.399 1.071 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cncs1 ZINC001575091778 951783726 /nfs/dbraw/zinc/78/37/26/951783726.db2.gz XXTDVERHLQGMIL-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC001575091898 951785779 /nfs/dbraw/zinc/78/57/79/951785779.db2.gz YJMKGZKLZGDHPF-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN O=C([O-])CN1CCCC[C@@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)C1=O ZINC001595096441 951817924 /nfs/dbraw/zinc/81/79/24/951817924.db2.gz JEZLCDPSABXTEI-LLVKDONJSA-N 0 1 388.390 1.794 20 0 GDADMN C[C@H](CNC(=O)C[C@H](C)n1ccnc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098105 951820262 /nfs/dbraw/zinc/82/02/62/951820262.db2.gz ARIYCMRKTCZFNR-STQMWFEESA-N 0 1 388.501 1.618 20 0 GDADMN CC(C)(C)OC(=O)N1CCC([N@H+](CCS(=O)(=O)CC(=O)[O-])C2CC2)CC1 ZINC001602886389 971778855 /nfs/dbraw/zinc/77/88/55/971778855.db2.gz SBQXLJIEPMSTCE-UHFFFAOYSA-N 0 1 390.502 1.350 20 0 GDADMN CC(C)(C)OC(=O)N1CCC([N@@H+](CCS(=O)(=O)CC(=O)[O-])C2CC2)CC1 ZINC001602886389 971778859 /nfs/dbraw/zinc/77/88/59/971778859.db2.gz SBQXLJIEPMSTCE-UHFFFAOYSA-N 0 1 390.502 1.350 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098393 951821511 /nfs/dbraw/zinc/82/15/11/951821511.db2.gz CGLCPSRICSJGPI-OXHZDVMGSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098393 951821518 /nfs/dbraw/zinc/82/15/18/951821518.db2.gz CGLCPSRICSJGPI-OXHZDVMGSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@@H](CNC(=O)[C@H](C)C(F)(F)F)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099386 951831887 /nfs/dbraw/zinc/83/18/87/951831887.db2.gz LGHIPRGHBMFPHV-BDAKNGLRSA-N 0 1 376.408 1.969 20 0 GDADMN C[C@@H](CNC(=O)[C@H](C)C(F)(F)F)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099386 951831898 /nfs/dbraw/zinc/83/18/98/951831898.db2.gz LGHIPRGHBMFPHV-BDAKNGLRSA-N 0 1 376.408 1.969 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCCn1cccn1 ZINC001575099382 951833361 /nfs/dbraw/zinc/83/33/61/951833361.db2.gz LEUAXHUTPHGRTP-CYBMUJFWSA-N 0 1 388.501 1.542 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCCn1cccn1 ZINC001575099382 951833371 /nfs/dbraw/zinc/83/33/71/951833371.db2.gz LEUAXHUTPHGRTP-CYBMUJFWSA-N 0 1 388.501 1.542 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099435 951834039 /nfs/dbraw/zinc/83/40/39/951834039.db2.gz LWZOUFJXMPKLJG-SNVBAGLBSA-N 0 1 386.485 1.684 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099435 951834049 /nfs/dbraw/zinc/83/40/49/951834049.db2.gz LWZOUFJXMPKLJG-SNVBAGLBSA-N 0 1 386.485 1.684 20 0 GDADMN C[C@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101014 951852027 /nfs/dbraw/zinc/85/20/27/951852027.db2.gz XOGRQBQQVDVKCN-NSHDSACASA-N 0 1 389.460 1.547 20 0 GDADMN C[C@H](CNC(=O)Cc1ncccc1F)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101014 951852035 /nfs/dbraw/zinc/85/20/35/951852035.db2.gz XOGRQBQQVDVKCN-NSHDSACASA-N 0 1 389.460 1.547 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn2cc[nH]c12 ZINC001575101274 951855900 /nfs/dbraw/zinc/85/59/00/951855900.db2.gz BJTIYGYWIYFKJY-SNVBAGLBSA-N 0 1 385.457 1.154 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn2cc[nH]c12 ZINC001575101274 951855903 /nfs/dbraw/zinc/85/59/03/951855903.db2.gz BJTIYGYWIYFKJY-SNVBAGLBSA-N 0 1 385.457 1.154 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575102691 951870181 /nfs/dbraw/zinc/87/01/81/951870181.db2.gz OLWNGUSTYZIPLI-FEUBFEEPSA-N 0 1 388.497 1.288 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575102691 951870187 /nfs/dbraw/zinc/87/01/87/951870187.db2.gz OLWNGUSTYZIPLI-FEUBFEEPSA-N 0 1 388.497 1.288 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575104270 951883289 /nfs/dbraw/zinc/88/32/89/951883289.db2.gz YULYSIHLYYRQGE-PNPHSEOMSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575104270 951883296 /nfs/dbraw/zinc/88/32/96/951883296.db2.gz YULYSIHLYYRQGE-PNPHSEOMSA-N 0 1 390.513 1.824 20 0 GDADMN O=C([O-])Cn1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC001595143156 952097902 /nfs/dbraw/zinc/09/79/02/952097902.db2.gz VCAUERMIPNIVOY-IXDOHACOSA-N 0 1 383.452 1.393 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001575144333 952164590 /nfs/dbraw/zinc/16/45/90/952164590.db2.gz HUQWPPVSJPCXOR-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2ccn(C)c2c1 ZINC001575145040 952177201 /nfs/dbraw/zinc/17/72/01/952177201.db2.gz OOLGVOVQGGQGNA-LBPRGKRZSA-N 0 1 391.439 1.143 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCc1ccccc1F ZINC001575147405 952199952 /nfs/dbraw/zinc/19/99/52/952199952.db2.gz SLYCCLVSQMZDDA-ZDUSSCGKSA-N 0 1 383.431 1.714 20 0 GDADMN C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575155299 952236066 /nfs/dbraw/zinc/23/60/66/952236066.db2.gz KSNXZPSWPHJTSG-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575155299 952236070 /nfs/dbraw/zinc/23/60/70/952236070.db2.gz KSNXZPSWPHJTSG-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccncn1 ZINC001575164727 952298142 /nfs/dbraw/zinc/29/81/42/952298142.db2.gz GYXBRGYBOAMCQM-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575166196 952322193 /nfs/dbraw/zinc/32/21/93/952322193.db2.gz SVFHKRXZJPLNQR-CLAHSXSESA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@](CNc1ncc(-c2nn[nH]n2)cc1F)(NC(=O)CN1CCCC1)C1CC1 ZINC001575166240 952322442 /nfs/dbraw/zinc/32/24/42/952322442.db2.gz UCEPAOVFSADMJS-SFHVURJKSA-N 0 1 388.451 1.193 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)Cc1cccnc1 ZINC001575166439 952325711 /nfs/dbraw/zinc/32/57/11/952325711.db2.gz WCXDWDZVOQODCO-VIFPVBQESA-N 0 1 392.876 1.873 20 0 GDADMN C[C@H](COc1ccc(F)cc1)NS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001575180057 952414186 /nfs/dbraw/zinc/41/41/86/952414186.db2.gz XMBLMJDPPLWWDD-SNVBAGLBSA-N 0 1 378.389 1.147 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575188568 952448789 /nfs/dbraw/zinc/44/87/89/952448789.db2.gz JNKMOWUHUOHZIC-NWDGAFQWSA-N 0 1 384.419 1.013 20 0 GDADMN C[C@H](Cc1ccccn1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001575190608 952464002 /nfs/dbraw/zinc/46/40/02/952464002.db2.gz URSQIMJEYJFIFS-SECBINFHSA-N 0 1 380.380 1.449 20 0 GDADMN C[C@@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575190965 952464975 /nfs/dbraw/zinc/46/49/75/952464975.db2.gz VPGKFFQCXOXELF-ZDUSSCGKSA-N 0 1 383.431 1.832 20 0 GDADMN C[C@]12CN(C(=O)[C@@H]3CC3(F)F)C[C@H]1CN(c1ccncc1-c1nn[nH]n1)C2 ZINC001571115581 952468833 /nfs/dbraw/zinc/46/88/33/952468833.db2.gz YIZACZMIFOWONQ-XAGWURHQSA-N 0 1 375.383 1.202 20 0 GDADMN COc1ccc(NC(=O)NCc2nc(CSC)n[nH]2)cc1-c1nn[nH]n1 ZINC001571118086 952487019 /nfs/dbraw/zinc/48/70/19/952487019.db2.gz UPCPBPRJYWLRQR-UHFFFAOYSA-N 0 1 375.418 1.178 20 0 GDADMN COc1ccc(NC(=O)NCc2nnc(CSC)[nH]2)cc1-c1nn[nH]n1 ZINC001571118086 952487027 /nfs/dbraw/zinc/48/70/27/952487027.db2.gz UPCPBPRJYWLRQR-UHFFFAOYSA-N 0 1 375.418 1.178 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)C[C@H]1C ZINC001575199593 952489434 /nfs/dbraw/zinc/48/94/34/952489434.db2.gz DFBGRJNEQGGIOC-YWPYICTPSA-N 0 1 398.446 1.549 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200403 952495304 /nfs/dbraw/zinc/49/53/04/952495304.db2.gz JAGJELMUUHVBCK-OBJOEFQTSA-N 0 1 381.444 1.170 20 0 GDADMN CCc1cc(CNC(=O)c2ccc(Br)cc2-c2nn[nH]n2)n[nH]1 ZINC001571121101 952514906 /nfs/dbraw/zinc/51/49/06/952514906.db2.gz VZJBRWCZLYEXLD-UHFFFAOYSA-N 0 1 376.218 1.845 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571124675 952542210 /nfs/dbraw/zinc/54/22/10/952542210.db2.gz QZNVQTQXCVPCNB-QWRGUYRKSA-N 0 1 377.399 1.235 20 0 GDADMN Cc1cccc(CCC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134212 952587653 /nfs/dbraw/zinc/58/76/53/952587653.db2.gz GGIIBCGCVRZLHK-OAHLLOKOSA-N 0 1 378.440 1.033 20 0 GDADMN CCCc1ccccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135234 952601459 /nfs/dbraw/zinc/60/14/59/952601459.db2.gz RRCPMFIMHOUBSG-CQSZACIVSA-N 0 1 378.440 1.358 20 0 GDADMN C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[N@H+]1CC1CC(F)(F)C1 ZINC001571140231 952624690 /nfs/dbraw/zinc/62/46/90/952624690.db2.gz PDLAOBGBWWIUOD-MFKMUULPSA-N 0 1 379.415 1.823 20 0 GDADMN C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[N@H+]1CC1CC(F)(F)C1 ZINC001571140228 952624851 /nfs/dbraw/zinc/62/48/51/952624851.db2.gz PDLAOBGBWWIUOD-GXFFZTMASA-N 0 1 379.415 1.823 20 0 GDADMN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571141054 952630581 /nfs/dbraw/zinc/63/05/81/952630581.db2.gz GEOPGDDLGPWGKP-JLLWLGSASA-N 0 1 378.506 1.231 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1-c1nn[n-]n1 ZINC001571152922 952684251 /nfs/dbraw/zinc/68/42/51/952684251.db2.gz LDLZBKMMTIEHOV-JTQLQIEISA-N 0 1 379.490 1.395 20 0 GDADMN Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571158290 952711135 /nfs/dbraw/zinc/71/11/35/952711135.db2.gz GGQONZCVMHPVCX-UGFHNGPFSA-N 0 1 380.412 1.406 20 0 GDADMN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571158531 952711987 /nfs/dbraw/zinc/71/19/87/952711987.db2.gz KVXWDONONQDNGQ-OKILXGFUSA-N 0 1 380.412 1.442 20 0 GDADMN Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cocn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159481 952719222 /nfs/dbraw/zinc/71/92/22/952719222.db2.gz WDZVHFSUVADMSU-OLZOCXBDSA-N 0 1 380.412 1.442 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3ncoc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159558 952720688 /nfs/dbraw/zinc/72/06/88/952720688.db2.gz YEUPTYQRUQSVHK-GFCCVEGCSA-N 0 1 380.412 1.444 20 0 GDADMN CCc1n[nH]cc1C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571167097 952770573 /nfs/dbraw/zinc/77/05/73/952770573.db2.gz VQUPXZBXPSFNQZ-OAHLLOKOSA-N 0 1 380.456 1.547 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571169784 952778636 /nfs/dbraw/zinc/77/86/36/952778636.db2.gz NGSJLGUNZAWZQA-AWEZNQCLSA-N 0 1 380.456 1.511 20 0 GDADMN Cc1cc(NC[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169839 952779554 /nfs/dbraw/zinc/77/95/54/952779554.db2.gz PBHQAFCBPWBBIY-JSGCOSHPSA-N 0 1 380.456 1.069 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571170548 952786945 /nfs/dbraw/zinc/78/69/45/952786945.db2.gz WIPWQXLDBJHMES-AWEZNQCLSA-N 0 1 380.456 1.616 20 0 GDADMN O=C([C@H]1CC12CCC2)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571171548 952793509 /nfs/dbraw/zinc/79/35/09/952793509.db2.gz BTDJNWCYBNNAHC-ACJLOTCBSA-N 0 1 380.456 1.276 20 0 GDADMN C[C@@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cnco1 ZINC001571172313 952806090 /nfs/dbraw/zinc/80/60/90/952806090.db2.gz SMGAYVSEWCHTHE-RNFRBKRXSA-N 0 1 380.821 1.680 20 0 GDADMN Cc1ccoc1CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571179614 952854235 /nfs/dbraw/zinc/85/42/35/952854235.db2.gz HJRUPSOGGOCLJY-CQSZACIVSA-N 0 1 381.440 1.397 20 0 GDADMN O=C(Cc1ccoc1)N1CCC[C@@H](CC[NH+]=c2cc[nH]cc2-c2nn[n-]n2)C1 ZINC001571180503 952859976 /nfs/dbraw/zinc/85/99/76/952859976.db2.gz QIAKFWYYZCJVIQ-AWEZNQCLSA-N 0 1 381.440 1.560 20 0 GDADMN C[C@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001571180505 952860287 /nfs/dbraw/zinc/86/02/87/952860287.db2.gz QKFBGUFTVNEAKU-CYBMUJFWSA-N 0 1 381.444 1.147 20 0 GDADMN CO[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183042 952872709 /nfs/dbraw/zinc/87/27/09/952872709.db2.gz MROAXILKNODJBE-IAGOWNOFSA-N 0 1 381.440 1.132 20 0 GDADMN CCc1ocnc1C(=O)N[C@H](C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183100 952872797 /nfs/dbraw/zinc/87/27/97/952872797.db2.gz OKMGNJBIPNMFJQ-GFCCVEGCSA-N 0 1 381.440 1.667 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)c2ccn(C)c2C)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571183878 952884197 /nfs/dbraw/zinc/88/41/97/952884197.db2.gz LRXGXPASIWAPKN-UONOGXRCSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@H](NC(=O)c1ccn(C)c1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184242 952890909 /nfs/dbraw/zinc/89/09/09/952890909.db2.gz UOTCFBUAQLEIEN-QWHCGFSZSA-N 0 1 381.444 1.030 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571185285 952900720 /nfs/dbraw/zinc/90/07/20/952900720.db2.gz KJUNEMHLHMAZCT-CYBMUJFWSA-N 0 1 381.444 1.070 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@@H](C)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571185269 952901347 /nfs/dbraw/zinc/90/13/47/952901347.db2.gz KGGLCPYVJHKSMO-AAEUAGOBSA-N 0 1 381.444 1.328 20 0 GDADMN C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2-n2cnc(-c3nn[n-]n3)n2)C1 ZINC001571185822 952904529 /nfs/dbraw/zinc/90/45/29/952904529.db2.gz QHVTVRHORHOSGD-CHWSQXEVSA-N 0 1 381.444 1.506 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)n3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187627 952909370 /nfs/dbraw/zinc/90/93/70/952909370.db2.gz AAJAOGDNJRKMIT-ZIAGYGMSSA-N 0 1 381.444 1.113 20 0 GDADMN Cc1nc(N(C)C[C@H]2CCCCN2C(=O)c2ccn[nH]2)ccc1-c1nn[nH]n1 ZINC001571188584 952916725 /nfs/dbraw/zinc/91/67/25/952916725.db2.gz DUVLQQBVSYAKMK-CYBMUJFWSA-N 0 1 381.444 1.424 20 0 GDADMN Cc1ncc(C(=O)N2CCCCC[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)[nH]1 ZINC001571189010 952922648 /nfs/dbraw/zinc/92/26/48/952922648.db2.gz LXLMVKFTPVLXPQ-AWEZNQCLSA-N 0 1 381.444 1.790 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571189657 952932002 /nfs/dbraw/zinc/93/20/02/952932002.db2.gz ZPXYCZGGXALNAP-YPMHNXCESA-N 0 1 381.444 1.389 20 0 GDADMN O=C(N[C@@H]1CCCC[C@H]1CNCc1ncccn1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571189767 952935314 /nfs/dbraw/zinc/93/53/14/952935314.db2.gz UEGPHZLSSIJKQZ-GXTWGEPZSA-N 0 1 381.444 1.063 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cccc(Cl)c1 ZINC001571190057 952938675 /nfs/dbraw/zinc/93/86/75/952938675.db2.gz DGUAIOITDKRKJZ-FOLVSLTJSA-N 0 1 381.827 1.780 20 0 GDADMN O=C(Cc1ccco1)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001571195190 952975064 /nfs/dbraw/zinc/97/50/64/952975064.db2.gz ZDMYIGSJPNFXBL-HWWDLCQESA-N 0 1 382.399 1.388 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001571196024 952978577 /nfs/dbraw/zinc/97/85/77/952978577.db2.gz GPIATAOKLQJIQD-VXGBXAGGSA-N 0 1 382.403 1.180 20 0 GDADMN CN(Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571197239 952986928 /nfs/dbraw/zinc/98/69/28/952986928.db2.gz UWCCIJDCUCEFLS-CYBMUJFWSA-N 0 1 382.403 1.142 20 0 GDADMN C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571197376 952989874 /nfs/dbraw/zinc/98/98/74/952989874.db2.gz YGTRUJSHNILSRQ-SMDDNHRTSA-N 0 1 382.403 1.583 20 0 GDADMN Cc1cccc(F)c1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571197392 952990148 /nfs/dbraw/zinc/99/01/48/952990148.db2.gz YYJRXNBLUPUJAZ-LBPRGKRZSA-N 0 1 382.403 1.455 20 0 GDADMN CCc1nc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@H](C)C2)co1 ZINC001571199011 952995208 /nfs/dbraw/zinc/99/52/08/952995208.db2.gz JXLZREHUQZIMGF-DGCLKSJQSA-N 0 1 382.428 1.197 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)Cc2ccon2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571199219 952998267 /nfs/dbraw/zinc/99/82/67/952998267.db2.gz NOZWTVRPSKPCHC-CYBMUJFWSA-N 0 1 382.428 1.167 20 0 GDADMN CCc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571199700 953002791 /nfs/dbraw/zinc/00/27/91/953002791.db2.gz ZRSVZFKKBQZBKD-NEPJUHHUSA-N 0 1 382.428 1.054 20 0 GDADMN Cc1conc1C(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571202625 953027800 /nfs/dbraw/zinc/02/78/00/953027800.db2.gz WONHITQOEAPIIS-CYBMUJFWSA-N 0 1 382.428 1.608 20 0 GDADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnc(C2CC2)s1 ZINC001571209981 953069617 /nfs/dbraw/zinc/06/96/17/953069617.db2.gz KPSQBPYDNBDPFF-PHIMTYICSA-N 0 1 382.453 1.390 20 0 GDADMN C[C@@H]1CC[C@H](NC(=O)C(C2CC2)C2CC2)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571211735 953080563 /nfs/dbraw/zinc/08/05/63/953080563.db2.gz DPZUOJQLTISOGR-RISCZKNCSA-N 0 1 382.472 1.566 20 0 GDADMN CCC1(C(=O)N2CCC3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)CC2)CC1 ZINC001571213635 953096904 /nfs/dbraw/zinc/09/69/04/953096904.db2.gz SLPQUWQRGZCMMB-UHFFFAOYSA-N 0 1 382.472 1.666 20 0 GDADMN O=C(NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC2(CCC2)C1 ZINC001571216912 953104146 /nfs/dbraw/zinc/10/41/46/953104146.db2.gz CBLKQSTZLQOOCT-CQSZACIVSA-N 0 1 382.472 1.712 20 0 GDADMN O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1cccc(-c2nn[nH]n2)c1Cl ZINC001571217354 953106829 /nfs/dbraw/zinc/10/68/29/953106829.db2.gz FWMDYEZWNSKNRH-NSHDSACASA-N 0 1 382.877 1.283 20 0 GDADMN O=C(c1cc[nH]c(=O)c1)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571217837 953111034 /nfs/dbraw/zinc/11/10/34/953111034.db2.gz PUWWZDJOLSKKDU-CQSZACIVSA-N 0 1 383.387 1.111 20 0 GDADMN O=C(N[C@H]1CCCN(CCc2ccccc2F)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571229684 953171676 /nfs/dbraw/zinc/17/16/76/953171676.db2.gz JQESGFXFRLDATA-HNNXBMFYSA-N 0 1 383.431 1.771 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)C2=COCCC2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571230414 953177062 /nfs/dbraw/zinc/17/70/62/953177062.db2.gz CQKAWUYUJRLBJP-CQSZACIVSA-N 0 1 383.456 1.631 20 0 GDADMN O=C(C1=CCCCCC1)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571233491 953193067 /nfs/dbraw/zinc/19/30/67/953193067.db2.gz WKYVOXLIHYDYGN-OAHLLOKOSA-N 0 1 383.456 1.213 20 0 GDADMN O=C(CCc1ccncc1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571233969 953197570 /nfs/dbraw/zinc/19/75/70/953197570.db2.gz JKPBRHOJTDYGOK-AWEZNQCLSA-N 0 1 383.481 1.647 20 0 GDADMN O=C(CCc1ccncc1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571233969 953197573 /nfs/dbraw/zinc/19/75/73/953197573.db2.gz JKPBRHOJTDYGOK-AWEZNQCLSA-N 0 1 383.481 1.647 20 0 GDADMN CO[C@H](C(=O)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)C1CC1 ZINC001571234939 953207330 /nfs/dbraw/zinc/20/73/30/953207330.db2.gz NLWHHTIWECKLEI-SCZZXKLOSA-N 0 1 383.865 1.414 20 0 GDADMN O=C(CCc1cnc[nH]1)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571241722 953248877 /nfs/dbraw/zinc/24/88/77/953248877.db2.gz JOFUJWDJPDDLMT-CYBMUJFWSA-N 0 1 384.419 1.765 20 0 GDADMN CCc1cnc(CNC[C@@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571243082 953262423 /nfs/dbraw/zinc/26/24/23/953262423.db2.gz VIMFKPFPARWBLC-WCQYABFASA-N 0 1 384.444 1.434 20 0 GDADMN C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@@]2(C)C1 ZINC001571244939 953268716 /nfs/dbraw/zinc/26/87/16/953268716.db2.gz AOOQZQQNVWPSFM-DVNRBFFJSA-N 0 1 384.459 1.942 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001571247977 953288289 /nfs/dbraw/zinc/28/82/89/953288289.db2.gz KHGIDLLLIRYDEF-KBRIMQKVSA-N 0 1 384.484 1.954 20 0 GDADMN C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001571248196 953290963 /nfs/dbraw/zinc/29/09/63/953290963.db2.gz NETQFLZGWWTUTB-SJORKVTESA-N 0 1 384.484 1.859 20 0 GDADMN CC1(C)CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571249169 953301870 /nfs/dbraw/zinc/30/18/70/953301870.db2.gz FDVNQMVHYJVOBI-ZIAGYGMSSA-N 0 1 384.488 1.698 20 0 GDADMN Cc1cnc([C@H](C)N[C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571251317 953316622 /nfs/dbraw/zinc/31/66/22/953316622.db2.gz UDPJOOCAXAZHRH-AVGNSLFASA-N 0 1 384.444 1.883 20 0 GDADMN C[C@H]1CC[C@H](C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571251840 953320273 /nfs/dbraw/zinc/32/02/73/953320273.db2.gz AYGMYIHLJSPIRZ-RBSFLKMASA-N 0 1 384.488 1.958 20 0 GDADMN CN1CCCC[C@@H]1C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252051 953323156 /nfs/dbraw/zinc/32/31/56/953323156.db2.gz GGQNIDFPLNFSGM-GOEBONIOSA-N 0 1 384.488 1.397 20 0 GDADMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl ZINC001571254281 953336940 /nfs/dbraw/zinc/33/69/40/953336940.db2.gz BETSIQUMQOZMRO-NSHDSACASA-N 0 1 384.893 1.625 20 0 GDADMN O=C(NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1ccc(F)cc1F ZINC001571255810 953355165 /nfs/dbraw/zinc/35/51/65/953355165.db2.gz QEBCVZUWZLVFDO-UHFFFAOYSA-N 0 1 385.378 1.939 20 0 GDADMN CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])ccc1C ZINC000424263288 953442716 /nfs/dbraw/zinc/44/27/16/953442716.db2.gz RPZGOTQMBQEBKR-OAHLLOKOSA-N 0 1 397.497 1.561 20 0 GDADMN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)C1CCOCC1 ZINC000564085612 953601475 /nfs/dbraw/zinc/60/14/75/953601475.db2.gz ZFHUZSFFGASOCB-UHFFFAOYSA-N 0 1 390.484 1.966 20 0 GDADMN COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000571881354 953665955 /nfs/dbraw/zinc/66/59/55/953665955.db2.gz QAEGZJRPQNDHBS-KBPBESRZSA-N 0 1 377.441 1.243 20 0 GDADMN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600701531 953784615 /nfs/dbraw/zinc/78/46/15/953784615.db2.gz KVCUFRVQSYVMDQ-YRGRVCCFSA-N 0 1 391.424 1.537 20 0 GDADMN COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000635513798 953887587 /nfs/dbraw/zinc/88/75/87/953887587.db2.gz DPSNOPAEWFALMG-IBGZPJMESA-N 0 1 376.457 1.623 20 0 GDADMN C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccc(C(=O)[O-])nc3)cc2)CC1 ZINC000642598219 953898288 /nfs/dbraw/zinc/89/82/88/953898288.db2.gz WSBLQACTAUHWSZ-UHFFFAOYSA-N 0 1 382.420 1.097 20 0 GDADMN C[C@](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)(C(=O)[O-])c1ccccc1 ZINC000652102790 954066124 /nfs/dbraw/zinc/06/61/24/954066124.db2.gz HNXFGJJMKSDHMP-FXAWDEMLSA-N 0 1 375.469 1.535 20 0 GDADMN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@]3(C(=O)[O-])CC=CCC3)c2)C1 ZINC000653306752 954120337 /nfs/dbraw/zinc/12/03/37/954120337.db2.gz WENCLCRBOPKKBX-AVRDEDQJSA-N 0 1 399.491 1.811 20 0 GDADMN C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655866265 954251963 /nfs/dbraw/zinc/25/19/63/954251963.db2.gz NTMCTJMYQLPPRL-QXSJWSMHSA-N 0 1 396.532 1.364 20 0 GDADMN CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655900440 954281526 /nfs/dbraw/zinc/28/15/26/954281526.db2.gz SRWBVXZLYJCTRF-OWCLPIDISA-N 0 1 382.549 1.837 20 0 GDADMN C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C[C@H](C)O1 ZINC001589398963 954393129 /nfs/dbraw/zinc/39/31/29/954393129.db2.gz BCPFACABKJHJAL-DOWLLFGTSA-N 0 1 383.489 1.197 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C2)O1 ZINC001589401806 954435324 /nfs/dbraw/zinc/43/53/24/954435324.db2.gz OYAWQKZNOSVMNM-MAODMQOUSA-N 0 1 388.464 1.512 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C2)O1 ZINC001589401806 954435331 /nfs/dbraw/zinc/43/53/31/954435331.db2.gz OYAWQKZNOSVMNM-MAODMQOUSA-N 0 1 388.464 1.512 20 0 GDADMN CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)cc2)CC1 ZINC000663105714 954492347 /nfs/dbraw/zinc/49/23/47/954492347.db2.gz VDADDRRJIWLBAC-NRFANRHFSA-N 0 1 387.480 1.833 20 0 GDADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001594895322 954561460 /nfs/dbraw/zinc/56/14/60/954561460.db2.gz FHXJGAGALWMQGA-FOCJUVANSA-N 0 1 394.390 1.311 20 0 GDADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001594895322 954561467 /nfs/dbraw/zinc/56/14/67/954561467.db2.gz FHXJGAGALWMQGA-FOCJUVANSA-N 0 1 394.390 1.311 20 0 GDADMN C[NH+]1CCN([C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC001593780904 954658975 /nfs/dbraw/zinc/65/89/75/954658975.db2.gz IHQCMAGLANDUCN-ILXRZTDVSA-N 0 1 380.514 1.589 20 0 GDADMN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]Cc3cc(=O)n4ccccc4n3)o2)C1 ZINC001594916266 954756325 /nfs/dbraw/zinc/75/63/25/954756325.db2.gz LGKNRAIICSZMQA-AWEZNQCLSA-N 0 1 382.420 1.878 20 0 GDADMN COC(=O)C1CC2(C1)CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1C)C[C@@H]2C(=O)[O-] ZINC001593821228 955040188 /nfs/dbraw/zinc/04/01/88/955040188.db2.gz YDKVXZQQLBBTLZ-WGAFOPHPSA-N 0 1 398.419 1.302 20 0 GDADMN COC(=O)C1CC2(C1)CN(C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C[C@@H]2C(=O)[O-] ZINC001593821526 955043362 /nfs/dbraw/zinc/04/33/62/955043362.db2.gz KHYIAPLCZILRKW-SGJMOYSZSA-N 0 1 393.440 1.178 20 0 GDADMN COC(=O)C1CC2(C1)C[N@H+](Cc1sncc1Br)C[C@H]2C(=O)[O-] ZINC001593826177 955106337 /nfs/dbraw/zinc/10/63/37/955106337.db2.gz QJXFAFAOXSYUHQ-PUUHTONNSA-N 0 1 389.271 1.991 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1sncc1Br)C[C@H]2C(=O)[O-] ZINC001593826177 955106342 /nfs/dbraw/zinc/10/63/42/955106342.db2.gz QJXFAFAOXSYUHQ-PUUHTONNSA-N 0 1 389.271 1.991 20 0 GDADMN CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC001603021380 972079675 /nfs/dbraw/zinc/07/96/75/972079675.db2.gz DEJNHLMZJNXQLI-NVXWUHKLSA-N 0 1 381.517 1.430 20 0 GDADMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000818357403 955396178 /nfs/dbraw/zinc/39/61/78/955396178.db2.gz IEXCLIAKHAIYDL-GFCCVEGCSA-N 0 1 380.470 1.213 20 0 GDADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)cn1 ZINC001594533948 955554701 /nfs/dbraw/zinc/55/47/01/955554701.db2.gz COKATVAXDKXNJS-RYUDHWBXSA-N 0 1 377.832 1.597 20 0 GDADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)cn1 ZINC001594533948 955554709 /nfs/dbraw/zinc/55/47/09/955554709.db2.gz COKATVAXDKXNJS-RYUDHWBXSA-N 0 1 377.832 1.597 20 0 GDADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC001594540331 955632072 /nfs/dbraw/zinc/63/20/72/955632072.db2.gz ZNYWFBVUIRTBRC-LSDHHAIUSA-N 0 1 378.473 1.777 20 0 GDADMN O=C([O-])[C@H]1CC(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)=NN1c1ccccc1 ZINC000844246137 955660994 /nfs/dbraw/zinc/66/09/94/955660994.db2.gz KIOJZZOIBLTTLL-FUHWJXTLSA-N 0 1 386.452 1.029 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)CN1CCN(C)CC1 ZINC001589066486 955751101 /nfs/dbraw/zinc/75/11/01/955751101.db2.gz IBLUYXLKFVJJSM-SJORKVTESA-N 0 1 378.517 1.554 20 0 GDADMN CO[C@@H](C(=O)[O-])C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001593902217 955882175 /nfs/dbraw/zinc/88/21/75/955882175.db2.gz NCXZNACRNDXFGW-LSDHHAIUSA-N 0 1 388.386 1.999 20 0 GDADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCS(=O)(=O)CC(=O)[O-])C1 ZINC001589113121 956067230 /nfs/dbraw/zinc/06/72/30/956067230.db2.gz IDWPRZFUTDUMSD-STQMWFEESA-N 0 1 378.491 1.111 20 0 GDADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCS(=O)(=O)CC(=O)[O-])C1 ZINC001589113121 956067244 /nfs/dbraw/zinc/06/72/44/956067244.db2.gz IDWPRZFUTDUMSD-STQMWFEESA-N 0 1 378.491 1.111 20 0 GDADMN O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000873643219 956073689 /nfs/dbraw/zinc/07/36/89/956073689.db2.gz HBEBIIZZRJIYLJ-GJZGRUSLSA-N 0 1 386.370 1.855 20 0 GDADMN O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000873643219 956073704 /nfs/dbraw/zinc/07/37/04/956073704.db2.gz HBEBIIZZRJIYLJ-GJZGRUSLSA-N 0 1 386.370 1.855 20 0 GDADMN CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001593921892 956086428 /nfs/dbraw/zinc/08/64/28/956086428.db2.gz CEUIHGMHPGRYJN-UIAACRFSSA-N 0 1 376.453 1.368 20 0 GDADMN CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001593921892 956086439 /nfs/dbraw/zinc/08/64/39/956086439.db2.gz CEUIHGMHPGRYJN-UIAACRFSSA-N 0 1 376.453 1.368 20 0 GDADMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC000874401078 956159215 /nfs/dbraw/zinc/15/92/15/956159215.db2.gz FBFGVTVQSHXGGE-OWCLPIDISA-N 0 1 379.505 1.740 20 0 GDADMN C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000898846751 956270606 /nfs/dbraw/zinc/27/06/06/956270606.db2.gz UVZCNMOQEJDSLD-MRXNPFEDSA-N 0 1 375.469 1.956 20 0 GDADMN 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1.546 20 0 GDADMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001588691584 960718429 /nfs/dbraw/zinc/71/84/29/960718429.db2.gz QRLJUITYCJCISP-KFWWJZLASA-N 0 1 381.473 1.393 20 0 GDADMN CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCC[N@@H+](CC(=O)[O-])C3)[nH]n2)CC1 ZINC001588693664 960740529 /nfs/dbraw/zinc/74/05/29/960740529.db2.gz DKYIZZYJRMSNCU-CQSZACIVSA-N 0 1 393.488 1.731 20 0 GDADMN O=C([O-])[C@@]1([NH+]2CCN(C(=O)c3cccc(NC(=O)C4CC4)c3)CC2)CCOC1 ZINC001331882627 961400302 /nfs/dbraw/zinc/40/03/02/961400302.db2.gz BXBADWCBNPBACH-HXUWFJFHSA-N 0 1 387.436 1.037 20 0 GDADMN O=C([O-])CCC[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000262088170 961447315 /nfs/dbraw/zinc/44/73/15/961447315.db2.gz GBZOLEBFDJTNNC-UHFFFAOYSA-N 0 1 377.466 1.796 20 0 GDADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCC(=O)NCC(=O)c3ccccc3)C2)cn1 ZINC001574453283 961482934 /nfs/dbraw/zinc/48/29/34/961482934.db2.gz DMDAFFQWNNNTAT-IAGOWNOFSA-N 0 1 398.463 1.299 20 0 GDADMN 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/nfs/dbraw/zinc/03/12/17/962031217.db2.gz IFEMVGBGYPPDIG-CEXWTWQISA-N 0 1 384.480 1.748 20 0 GDADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001341452538 962140437 /nfs/dbraw/zinc/14/04/37/962140437.db2.gz SZJJXTMIYGXCQH-QGZVFWFLSA-N 0 1 375.469 1.784 20 0 GDADMN O=C([O-])[C@]1(NC(=O)Cn2cc(Cl)cn2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001344512631 962181784 /nfs/dbraw/zinc/18/17/84/962181784.db2.gz UATPSCDWDJSKIY-SFHVURJKSA-N 0 1 376.844 1.772 20 0 GDADMN O=C([O-])[C@@]1(NC(=O)[C@H]2CCc3cncn3C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001344511597 962182594 /nfs/dbraw/zinc/18/25/94/962182594.db2.gz IUJRRJMIDARMQS-LAUBAEHRSA-N 0 1 382.464 1.681 20 0 GDADMN Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001346301371 962341076 /nfs/dbraw/zinc/34/10/76/962341076.db2.gz ZHCFPEBLSRWXBG-CBGDNZLLSA-N 0 1 382.464 1.759 20 0 GDADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001574646409 962384755 /nfs/dbraw/zinc/38/47/55/962384755.db2.gz AYSBAOJBPXQBHP-NDBYEHHHSA-N 0 1 391.390 1.126 20 0 GDADMN CC(C)(C)CC(=O)NCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001349874315 962486414 /nfs/dbraw/zinc/48/64/14/962486414.db2.gz KLVSRUVXVAWAFC-OAQYLSRUSA-N 0 1 389.496 1.774 20 0 GDADMN C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000287021297 962890434 /nfs/dbraw/zinc/89/04/34/962890434.db2.gz GKHCMJRIWKNZOX-QGZVFWFLSA-N 0 1 396.440 1.870 20 0 GDADMN C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549035030 962922246 /nfs/dbraw/zinc/92/22/46/962922246.db2.gz AYULJTRZKQDACN-RAIGVLPGSA-N 0 1 387.358 1.563 20 0 GDADMN COc1cccc([C@H](CNS(=O)(=O)c2cccc(C(=O)[O-])c2)[NH+](C)C)c1 ZINC000298687194 962929337 /nfs/dbraw/zinc/92/93/37/962929337.db2.gz ROUDTDXMFTYWSJ-KRWDZBQOSA-N 0 1 378.450 1.975 20 0 GDADMN C[C@@H](C(=O)[O-])C(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000565715550 968426023 /nfs/dbraw/zinc/42/60/23/968426023.db2.gz DQAGWGOLGBPDFT-GFCCVEGCSA-N 0 1 378.454 1.596 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000635019152 968541393 /nfs/dbraw/zinc/54/13/93/968541393.db2.gz APIFMHHTOONRCQ-GOSISDBHSA-N 0 1 377.466 1.378 20 0 GDADMN C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC000652113264 968628812 /nfs/dbraw/zinc/62/88/12/968628812.db2.gz IGAXPRASCCRQEN-NRFANRHFSA-N 0 1 390.528 1.744 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000868457180 969345710 /nfs/dbraw/zinc/34/57/10/969345710.db2.gz VQMUOXOXRVOKDB-LZQZEXGQSA-N 0 1 396.491 1.884 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1)[N@H+]1CCc2ccccc2C1 ZINC000868457180 969345716 /nfs/dbraw/zinc/34/57/16/969345716.db2.gz VQMUOXOXRVOKDB-LZQZEXGQSA-N 0 1 396.491 1.884 20 0 GDADMN Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873642854 969356059 /nfs/dbraw/zinc/35/60/59/969356059.db2.gz CTASODCRTHLUJV-UHOSZYNNSA-N 0 1 398.507 1.966 20 0 GDADMN Cc1ccsc1CNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873644132 969358694 /nfs/dbraw/zinc/35/86/94/969358694.db2.gz NHGQMFQAQURHHA-KGLIPLIRSA-N 0 1 376.482 1.597 20 0 GDADMN Cc1ccsc1CNC(=O)C[N@@H+]1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000873644132 969358700 /nfs/dbraw/zinc/35/87/00/969358700.db2.gz NHGQMFQAQURHHA-KGLIPLIRSA-N 0 1 376.482 1.597 20 0 GDADMN CC[C@H]1CCCC[N@H+]1CCNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC000898817390 969413122 /nfs/dbraw/zinc/41/31/22/969413122.db2.gz FWSOBADBSZLAPY-QNBXZPKWSA-N 0 1 395.500 1.546 20 0 GDADMN COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000902723178 969558619 /nfs/dbraw/zinc/55/86/19/969558619.db2.gz MJLLIPLWMMBPDW-MRXNPFEDSA-N 0 1 380.416 1.657 20 0 GDADMN COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000902723178 969558627 /nfs/dbraw/zinc/55/86/27/969558627.db2.gz MJLLIPLWMMBPDW-MRXNPFEDSA-N 0 1 380.416 1.657 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)C[C@H]2C(=O)[O-] ZINC000903415899 969578850 /nfs/dbraw/zinc/57/88/50/969578850.db2.gz MEXLBEQEOWSAED-NUDHSDCWSA-N 0 1 380.485 1.609 20 0 GDADMN COC(=O)C1CC2(C1)C[N@H+]([C@@H](C)C(=O)Nc1cccc(F)c1)C[C@H]2C(=O)[O-] ZINC000903417447 969580987 /nfs/dbraw/zinc/58/09/87/969580987.db2.gz VDIWBDKYBIBNCI-YLVYDUANSA-N 0 1 378.400 1.739 20 0 GDADMN CN1CC[N@@H+](CCCNC(=O)C2(C(=O)[O-])CCOCC2)[C@H](c2ccccc2)C1 ZINC000911198356 969634232 /nfs/dbraw/zinc/63/42/32/969634232.db2.gz NWPQRHVGLOWPKC-SFHVURJKSA-N 0 1 389.496 1.363 20 0 GDADMN C[N@@H+]1CCN(CCCNC(=O)C2(C(=O)[O-])CCOCC2)[C@H](c2ccccc2)C1 ZINC000911198356 969634236 /nfs/dbraw/zinc/63/42/36/969634236.db2.gz NWPQRHVGLOWPKC-SFHVURJKSA-N 0 1 389.496 1.363 20 0 GDADMN C[N@H+]1CCN(CCCNC(=O)C2(C(=O)[O-])CCOCC2)[C@H](c2ccccc2)C1 ZINC000911198356 969634239 /nfs/dbraw/zinc/63/42/39/969634239.db2.gz NWPQRHVGLOWPKC-SFHVURJKSA-N 0 1 389.496 1.363 20 0 GDADMN O=C([O-])c1ccc(/C=C\C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)o1 ZINC001350611578 969771275 /nfs/dbraw/zinc/77/12/75/969771275.db2.gz BDSJZCUXDYBPCY-ALCCZGGFSA-N 0 1 375.425 1.148 20 0 GDADMN O=C([O-])c1ccc(/C=C\C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)o1 ZINC001350611578 969771278 /nfs/dbraw/zinc/77/12/78/969771278.db2.gz BDSJZCUXDYBPCY-ALCCZGGFSA-N 0 1 375.425 1.148 20 0 GDADMN CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001357547465 969786070 /nfs/dbraw/zinc/78/60/70/969786070.db2.gz SVQNNOSBGFPBCF-XLIONFOSSA-N 0 1 396.532 1.069 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+]([C@H]1CCN(c3ccc(C(F)(F)F)cc3)C1=O)C2 ZINC001606556567 970343318 /nfs/dbraw/zinc/34/33/18/970343318.db2.gz YCFBHQPBBBTYBM-JDFRZJQESA-N 0 1 384.354 1.844 20 0 GDADMN CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@@H+](CCCCC(=O)[O-])C2)C(=O)C1 ZINC001609753745 970515097 /nfs/dbraw/zinc/51/50/97/970515097.db2.gz GRVJZPYDBYXGRM-OAHLLOKOSA-N 0 1 383.489 1.785 20 0 GDADMN CC(C)Cn1c(N)c(C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001609813742 970541657 /nfs/dbraw/zinc/54/16/57/970541657.db2.gz VGSRNSXNNVDSLE-UPJWGTAASA-N 0 1 392.456 1.088 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)[C@@H]3CC(C(=O)[O-])=NO3)cc2)C[C@H](C)O1 ZINC001605063084 972676506 /nfs/dbraw/zinc/67/65/06/972676506.db2.gz LJTKTGNWEXPICG-IYOUNJFTSA-N 0 1 389.452 1.484 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@@H]2C(=O)[O-] ZINC001604293795 972927014 /nfs/dbraw/zinc/92/70/14/972927014.db2.gz YKOJBLHKQVVSJZ-SDMXJPDVSA-N 0 1 394.512 1.857 20 0 GDADMN O=C([O-])[C@@H]1CC(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)=NN1c1ccccc1 ZINC001605976548 972999209 /nfs/dbraw/zinc/99/92/09/972999209.db2.gz CICRKSLRBSQNHH-OALUTQOASA-N 0 1 394.431 1.585 20 0 GDADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)CC1 ZINC001603395336 973030595 /nfs/dbraw/zinc/03/05/95/973030595.db2.gz UJHUGWCZFWQSEE-GASCZTMLSA-N 0 1 375.473 1.802 20 0 GDADMN C[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(=O)[O-])C2=O)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001603408814 973080455 /nfs/dbraw/zinc/08/04/55/973080455.db2.gz DYVBDNHGYLPENZ-KFWWJZLASA-N 0 1 383.489 1.687 20 0 GDADMN O=C([O-])C1CCN(c2ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)o2)CC1 ZINC001606023247 973118501 /nfs/dbraw/zinc/11/85/01/973118501.db2.gz YVDXLDOGKIKKQZ-UHFFFAOYSA-N 0 1 398.403 1.647 20 0 GDADMN COC(=O)c1ccc(N2CC[N@@H+](CC3(O)CCC(C(=O)[O-])CC3)[C@H](C)C2)cc1 ZINC001604391195 973123423 /nfs/dbraw/zinc/12/34/23/973123423.db2.gz NPKZAXLPZNJUIJ-IZINQKCZSA-N 0 1 390.480 1.990 20 0 GDADMN Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001605424005 973448869 /nfs/dbraw/zinc/44/88/69/973448869.db2.gz CILBGIZBEXDNHR-FVQBIDKESA-N 0 1 388.472 1.461 20 0 GDADMN COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC001604523136 973469263 /nfs/dbraw/zinc/46/92/63/973469263.db2.gz MNYQHVBUCALLLW-PXNSSMCTSA-N 0 1 376.453 1.134 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)C1 ZINC001604541294 973518004 /nfs/dbraw/zinc/51/80/04/973518004.db2.gz CGPWEGDHGINSDX-GOSISDBHSA-N 0 1 396.465 1.385 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)C1 ZINC001604541294 973518011 /nfs/dbraw/zinc/51/80/11/973518011.db2.gz CGPWEGDHGINSDX-GOSISDBHSA-N 0 1 396.465 1.385 20 0 GDADMN O=C([O-])CNC(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC001606265135 973633640 /nfs/dbraw/zinc/63/36/40/973633640.db2.gz MADVZQPNQVISPX-JTQLQIEISA-N 0 1 399.163 1.292 20 0 GDADMN O=C([O-])CS(=O)(=O)CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001606291557 973696778 /nfs/dbraw/zinc/69/67/78/973696778.db2.gz QCKFNWLSKMXPNF-UHFFFAOYSA-N 0 1 380.510 1.474 20 0 GDADMN O=C([O-])Cn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nn1 ZINC001606326238 973753239 /nfs/dbraw/zinc/75/32/39/973753239.db2.gz NMEJASBVXXBEEJ-UHFFFAOYSA-N 0 1 379.367 1.035 20 0 GDADMN Cn1ncc(C(=O)[O-])c1C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC001605550096 973764145 /nfs/dbraw/zinc/76/41/45/973764145.db2.gz LHJHFPJTRRSTIY-UHFFFAOYSA-N 0 1 394.431 1.937 20 0 GDADMN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)OC[C@H]3CCC[N@H+]3CC(=O)[O-])cc2)C1 ZINC001605627712 973972524 /nfs/dbraw/zinc/97/25/24/973972524.db2.gz LZITZJSXSIWQDQ-NVXWUHKLSA-N 0 1 389.452 1.094 20 0 GDADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000442780785 974120324 /nfs/dbraw/zinc/12/03/24/974120324.db2.gz NNSLTXLDAUSHMC-LBPRGKRZSA-N 0 1 379.413 1.681 20 0 GDADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000442780785 974120327 /nfs/dbraw/zinc/12/03/27/974120327.db2.gz NNSLTXLDAUSHMC-LBPRGKRZSA-N 0 1 379.413 1.681 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@@]3(C)C(=O)[O-])CC2)C1 ZINC000530205824 974364840 /nfs/dbraw/zinc/36/48/40/974364840.db2.gz IHKWRMTYAOPILA-QRWLVFNGSA-N 0 1 379.501 1.423 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC[C@@]3(C)C(=O)[O-])CC2)C1 ZINC000530205824 974364847 /nfs/dbraw/zinc/36/48/47/974364847.db2.gz IHKWRMTYAOPILA-QRWLVFNGSA-N 0 1 379.501 1.423 20 0 GDADMN Cc1oc(C)c(S(=O)(=O)N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)c1C(=O)[O-] ZINC000574697492 974787728 /nfs/dbraw/zinc/78/77/28/974787728.db2.gz SAWMPWMWJCYDJI-OAHLLOKOSA-N 0 1 399.513 1.385 20 0 GDADMN C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(C(=O)[O-])nc3)cc2)CC1 ZINC000615194074 975022535 /nfs/dbraw/zinc/02/25/35/975022535.db2.gz RIIWZZKSPZRKJE-UHFFFAOYSA-N 0 1 382.420 1.349 20 0 GDADMN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC[C@H]1C(=O)[O-] ZINC000625954685 975065206 /nfs/dbraw/zinc/06/52/06/975065206.db2.gz MEGVXLHPGGTDLR-SMDDNHRTSA-N 0 1 381.860 1.909 20 0 GDADMN CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCOCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000635514760 975283953 /nfs/dbraw/zinc/28/39/53/975283953.db2.gz MGALVZQWBWUVJW-NVXWUHKLSA-N 0 1 385.411 1.889 20 0 GDADMN CC(C)[N@H+]1CC[C@@H](NC(=O)NCCOCC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000635514760 975283961 /nfs/dbraw/zinc/28/39/61/975283961.db2.gz 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C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3ncccc3c2)c1-c1nnn[n-]1 ZINC000826082871 608022052 /nfs/dbraw/zinc/02/20/52/608022052.db2.gz CJILPRPVUGGJGU-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3ncccc3c2)c1-c1nn[n-]n1 ZINC000826082871 608022053 /nfs/dbraw/zinc/02/20/53/608022053.db2.gz CJILPRPVUGGJGU-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000825934329 608035856 /nfs/dbraw/zinc/03/58/56/608035856.db2.gz MUPUPFCPXNWMFG-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000825934329 608035857 /nfs/dbraw/zinc/03/58/57/608035857.db2.gz MUPUPFCPXNWMFG-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000825934329 608035858 /nfs/dbraw/zinc/03/58/58/608035858.db2.gz MUPUPFCPXNWMFG-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000825934329 608035859 /nfs/dbraw/zinc/03/58/59/608035859.db2.gz MUPUPFCPXNWMFG-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)n[nH]1 ZINC000825740378 608107668 /nfs/dbraw/zinc/10/76/68/608107668.db2.gz SWZXJGFINYIEOW-ZETCQYMHSA-N 0 1 389.807 1.017 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000825740191 608107682 /nfs/dbraw/zinc/10/76/82/608107682.db2.gz QNIDRBDSCQBKDS-SSDOTTSWSA-N 0 1 389.807 1.017 20 0 GDADMN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000826405987 608108998 /nfs/dbraw/zinc/10/89/98/608108998.db2.gz CBRATWZMNVFQKL-AWEZNQCLSA-N 0 1 397.443 1.335 20 0 GDADMN C[C@H]1OCC[C@@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825020193 608114675 /nfs/dbraw/zinc/11/46/75/608114675.db2.gz JFQASEUNLFCNRB-PBHICJAKSA-N 0 1 385.472 1.261 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000826175894 608202477 /nfs/dbraw/zinc/20/24/77/608202477.db2.gz UGMLBVNTFGYHRO-ZIAGYGMSSA-N 0 1 388.472 1.585 20 0 GDADMN CC(C)(C)c1nc(CCN[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000824141056 608237443 /nfs/dbraw/zinc/23/74/43/608237443.db2.gz BWGYMQKLHOWIKX-AWEZNQCLSA-N 0 1 385.497 1.979 20 0 GDADMN CNC(=O)[C@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826060977 608311962 /nfs/dbraw/zinc/31/19/62/608311962.db2.gz XRELMGKKHJIZSM-AWEZNQCLSA-N 0 1 380.456 1.319 20 0 GDADMN CNC(=O)[C@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826060977 608311964 /nfs/dbraw/zinc/31/19/64/608311964.db2.gz XRELMGKKHJIZSM-AWEZNQCLSA-N 0 1 380.456 1.319 20 0 GDADMN CNC(=O)[C@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826060977 608311966 /nfs/dbraw/zinc/31/19/66/608311966.db2.gz XRELMGKKHJIZSM-AWEZNQCLSA-N 0 1 380.456 1.319 20 0 GDADMN CNC(=O)[C@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826060977 608311968 /nfs/dbraw/zinc/31/19/68/608311968.db2.gz XRELMGKKHJIZSM-AWEZNQCLSA-N 0 1 380.456 1.319 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826331977 608312644 /nfs/dbraw/zinc/31/26/44/608312644.db2.gz FYTVNMSNSLJZPK-HNNXBMFYSA-N 0 1 394.483 1.838 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826331977 608312646 /nfs/dbraw/zinc/31/26/46/608312646.db2.gz FYTVNMSNSLJZPK-HNNXBMFYSA-N 0 1 394.483 1.838 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826331977 608312649 /nfs/dbraw/zinc/31/26/49/608312649.db2.gz FYTVNMSNSLJZPK-HNNXBMFYSA-N 0 1 394.483 1.838 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826331977 608312650 /nfs/dbraw/zinc/31/26/50/608312650.db2.gz FYTVNMSNSLJZPK-HNNXBMFYSA-N 0 1 394.483 1.838 20 0 GDADMN CC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)CCN1C[C@@H](C)O ZINC000825203696 608338411 /nfs/dbraw/zinc/33/84/11/608338411.db2.gz OJRFLMMWHIPCHZ-DGCLKSJQSA-N 0 1 393.879 1.829 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN(C)C[C@@H](O)COCc1ccccc1 ZINC000826167530 608361169 /nfs/dbraw/zinc/36/11/69/608361169.db2.gz IEADAFVCDWZFBV-GOSISDBHSA-N 0 1 383.452 1.885 20 0 GDADMN COCc1nsc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000826166235 608365011 /nfs/dbraw/zinc/36/50/11/608365011.db2.gz ZVWRFEWFUDIOBP-UHFFFAOYSA-N 0 1 389.445 1.057 20 0 GDADMN C[C@H](NC(=O)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1)c1nnc[nH]1 ZINC000824505251 608405674 /nfs/dbraw/zinc/40/56/74/608405674.db2.gz ALXJNWIZHBXUIR-VIFPVBQESA-N 0 1 396.440 1.915 20 0 GDADMN C[C@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000824563138 608425371 /nfs/dbraw/zinc/42/53/71/608425371.db2.gz LWENWCOGENTIEY-ZDUSSCGKSA-N 0 1 394.435 1.605 20 0 GDADMN C[C@@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563129 608459475 /nfs/dbraw/zinc/45/94/75/608459475.db2.gz LTDDTLPKHPXQRA-CXAGYDPISA-N 0 1 378.436 1.637 20 0 GDADMN C[C@H](NCC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553737 608463661 /nfs/dbraw/zinc/46/36/61/608463661.db2.gz GNTDLFRIZVPUEH-DVOMOZLQSA-N 0 1 385.472 1.922 20 0 GDADMN C[C@H](NCC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553740 608463756 /nfs/dbraw/zinc/46/37/56/608463756.db2.gz GNTDLFRIZVPUEH-XEZPLFJOSA-N 0 1 385.472 1.922 20 0 GDADMN C[C@@H](N[C@@H](C)C(=O)Nc1sccc1C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824531394 608464375 /nfs/dbraw/zinc/46/43/75/608464375.db2.gz PJNLGARXFQEWIH-ZJUUUORDSA-N 0 1 385.453 1.705 20 0 GDADMN CC1(C)NC(=O)N(CCN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000824812195 608465330 /nfs/dbraw/zinc/46/53/30/608465330.db2.gz KUUHAMHXPVYCTB-UHFFFAOYSA-N 0 1 381.440 1.286 20 0 GDADMN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823967815 608480106 /nfs/dbraw/zinc/48/01/06/608480106.db2.gz POCNIJOAAFENRC-IFXJQAMLSA-N 0 1 392.463 1.834 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)nc1NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000826280629 608542837 /nfs/dbraw/zinc/54/28/37/608542837.db2.gz JOSRNEKCZZKENI-UHFFFAOYSA-N 0 1 382.447 1.943 20 0 GDADMN O=C(CNC1(c2ccc3c(c2)OCO3)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412536 608555814 /nfs/dbraw/zinc/55/58/14/608555814.db2.gz RTCGORNLMGIWSQ-UHFFFAOYSA-N 0 1 392.419 1.491 20 0 GDADMN C[C@@H](NCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(-n2ccnn2)cc1 ZINC000824562570 608559559 /nfs/dbraw/zinc/55/95/59/608559559.db2.gz HFNLHEKYRMCHKG-LLVKDONJSA-N 0 1 395.452 1.798 20 0 GDADMN CN1CCCC[C@@H]1C(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826034710 608605830 /nfs/dbraw/zinc/60/58/30/608605830.db2.gz WGUYPGOPBRIGRJ-UYSNPLJNSA-N 0 1 385.472 1.552 20 0 GDADMN NC(=O)N[C@H]1CCN(Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000826392408 608850897 /nfs/dbraw/zinc/85/08/97/608850897.db2.gz XKIPHNBFLWNJQE-INIZCTEOSA-N 0 1 393.451 1.688 20 0 GDADMN CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826166473 609153405 /nfs/dbraw/zinc/15/34/05/609153405.db2.gz MAJKEFIKJIRYQR-YGRLFVJLSA-N 0 1 382.465 1.798 20 0 GDADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826432344 609204681 /nfs/dbraw/zinc/20/46/81/609204681.db2.gz XZZDQGIVWHPMRG-GOSISDBHSA-N 0 1 393.451 1.076 20 0 GDADMN Cc1cc(C(=O)N(C)[C@@H]2CN3CCC2CC3)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256851 609228411 /nfs/dbraw/zinc/22/84/11/609228411.db2.gz CPTAINUXOGCVEB-GOSISDBHSA-N 0 1 392.467 1.527 20 0 GDADMN C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc([O-])cc1F ZINC000825866086 609298550 /nfs/dbraw/zinc/29/85/50/609298550.db2.gz QUVZNNHCSKPZFY-UHFFFAOYSA-N 0 1 384.415 1.915 20 0 GDADMN COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCN2C2CC2)c1 ZINC000826215694 609337437 /nfs/dbraw/zinc/33/74/37/609337437.db2.gz WJWYLEKJUIHETR-SJLPKXTDSA-N 0 1 393.451 1.911 20 0 GDADMN C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000826028776 609364289 /nfs/dbraw/zinc/36/42/89/609364289.db2.gz HXHYPGOGFWXVBO-LBPRGKRZSA-N 0 1 399.434 1.655 20 0 GDADMN C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000826028776 609364292 /nfs/dbraw/zinc/36/42/92/609364292.db2.gz HXHYPGOGFWXVBO-LBPRGKRZSA-N 0 1 399.434 1.655 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1sccc1-c1nn[n-]n1 ZINC000826443487 609425601 /nfs/dbraw/zinc/42/56/01/609425601.db2.gz RGGBSNOWDBXCOE-AWEZNQCLSA-N 0 1 384.465 1.425 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1sccc1-c1nn[n-]n1 ZINC000826443487 609425603 /nfs/dbraw/zinc/42/56/03/609425603.db2.gz RGGBSNOWDBXCOE-AWEZNQCLSA-N 0 1 384.465 1.425 20 0 GDADMN O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826487807 609546499 /nfs/dbraw/zinc/54/64/99/609546499.db2.gz AJBGFNMBVMJHDL-LBPRGKRZSA-N 0 1 382.877 1.283 20 0 GDADMN CN(C)CCCN(C(=O)CSc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000532081357 650007555 /nfs/dbraw/zinc/00/75/55/650007555.db2.gz ZYJDOZSBNUTSKN-HNNXBMFYSA-N 0 1 388.530 1.885 20 0 GDADMN COc1cc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc(OC)c1 ZINC000532162937 650016677 /nfs/dbraw/zinc/01/66/77/650016677.db2.gz ACFUETABFYKQMJ-UHFFFAOYSA-N 0 1 383.447 1.834 20 0 GDADMN COCCN1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 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CN(C[C@H]1CCCCN1C(=O)c1ccns1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571262108 945435549 /nfs/dbraw/zinc/43/55/49/945435549.db2.gz NGBYBBOFZIGYJX-LLVKDONJSA-N 0 1 385.457 1.244 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571262509 945437462 /nfs/dbraw/zinc/43/74/62/945437462.db2.gz SAYIEMNSOOJVOP-SNVBAGLBSA-N 0 1 385.457 1.245 20 0 GDADMN Cc1ccc(S(=O)(=O)N2CCc3nc[nH]c3C23CCC3)c(-c2nn[nH]n2)c1 ZINC001571262811 945444335 /nfs/dbraw/zinc/44/43/35/945444335.db2.gz YQYRVXCXYLDQQK-UHFFFAOYSA-N 0 1 385.453 1.524 20 0 GDADMN CN(C[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571264577 945488322 /nfs/dbraw/zinc/48/83/22/945488322.db2.gz RNVXJHPTXJXLBO-GJZGRUSLSA-N 0 1 385.472 1.363 20 0 GDADMN CC1(C)C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001571265594 945513310 /nfs/dbraw/zinc/51/33/10/945513310.db2.gz MFDHLUKBIOXCIR-OAHLLOKOSA-N 0 1 385.497 1.826 20 0 GDADMN CC1(C)C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001571265594 945513315 /nfs/dbraw/zinc/51/33/15/945513315.db2.gz MFDHLUKBIOXCIR-OAHLLOKOSA-N 0 1 385.497 1.826 20 0 GDADMN Cc1cc(NC2CC(N(C)C(=O)[C@]3(C)CCCOC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571265788 945520840 /nfs/dbraw/zinc/52/08/40/945520840.db2.gz KHWKVZXKIULXPN-SVGDTCPJSA-N 0 1 385.472 1.210 20 0 GDADMN Cc1csc(CN(C)C[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571271631 945645968 /nfs/dbraw/zinc/64/59/68/945645968.db2.gz GARRQAAPBJFJDA-LBPRGKRZSA-N 0 1 386.485 1.554 20 0 GDADMN Cc1nc(CCN2CC[C@](C)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cs1 ZINC001571271784 945650315 /nfs/dbraw/zinc/65/03/15/945650315.db2.gz JRMJOYAQHRAWGQ-KRWDZBQOSA-N 0 1 386.485 1.397 20 0 GDADMN Cn1nc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cc1Cl ZINC001571274567 945696487 /nfs/dbraw/zinc/69/64/87/945696487.db2.gz HCYADQVIPFRXDE-ZDUSSCGKSA-N 0 1 386.847 1.258 20 0 GDADMN O=S(=O)(N[C@H](CO)c1c(F)cccc1F)c1ccsc1-c1nn[nH]n1 ZINC001571275519 945707544 /nfs/dbraw/zinc/70/75/44/945707544.db2.gz VMCKDOHQZJFKSE-SECBINFHSA-N 0 1 387.393 1.218 20 0 GDADMN COc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCCO3)C2)cc1-c1nn[nH]n1 ZINC001571275768 945714078 /nfs/dbraw/zinc/71/40/78/945714078.db2.gz CBEDUQBCSLNAAZ-YOEHRIQHSA-N 0 1 386.456 1.135 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001571278367 945751874 /nfs/dbraw/zinc/75/18/74/945751874.db2.gz MZKBRUXEQUDFGX-DJJJIMSYSA-N 0 1 386.456 1.087 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571282695 945860408 /nfs/dbraw/zinc/86/04/08/945860408.db2.gz NTHDGTPNOBDYGD-GHMZBOCLSA-N 0 1 387.444 1.704 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571284568 945902411 /nfs/dbraw/zinc/90/24/11/945902411.db2.gz QVUSCXFVDXSULV-CMPLNLGQSA-N 0 1 387.835 1.426 20 0 GDADMN CC1(NC(=O)[C@H]2CCCO2)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571287626 945975634 /nfs/dbraw/zinc/97/56/34/945975634.db2.gz GHDIBAJNFJPHLP-MRXNPFEDSA-N 0 1 388.447 1.656 20 0 GDADMN CC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CC2(CCOCC2)C1 ZINC001571288557 945988280 /nfs/dbraw/zinc/98/82/80/945988280.db2.gz QLYBQYHPAXIQGX-INIZCTEOSA-N 0 1 388.447 1.513 20 0 GDADMN CS[C@H](C)C(=O)N1CCC(CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571294957 946150945 /nfs/dbraw/zinc/15/09/45/946150945.db2.gz MTDBLMDHHOIVAS-CYBMUJFWSA-N 0 1 389.529 1.996 20 0 GDADMN O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1n[nH]cc1F ZINC001571298343 946213477 /nfs/dbraw/zinc/21/34/77/946213477.db2.gz FBALXNSXKFWVBK-ZJUUUORDSA-N 0 1 390.448 1.621 20 0 GDADMN O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1n[nH]cc1F ZINC001571298343 946213485 /nfs/dbraw/zinc/21/34/85/946213485.db2.gz FBALXNSXKFWVBK-ZJUUUORDSA-N 0 1 390.448 1.621 20 0 GDADMN O=C([C@H]1CC12CCCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822916936 946218254 /nfs/dbraw/zinc/21/82/54/946218254.db2.gz IYZLUYPMYBCVDU-CYBMUJFWSA-N 0 1 383.456 1.961 20 0 GDADMN Cc1nsc(NC2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299377 946248071 /nfs/dbraw/zinc/24/80/71/946248071.db2.gz LUEDSEVKAXNSRQ-PNESKVBLSA-N 0 1 390.517 1.375 20 0 GDADMN Cc1nsc(NC2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299377 946248080 /nfs/dbraw/zinc/24/80/80/946248080.db2.gz LUEDSEVKAXNSRQ-PNESKVBLSA-N 0 1 390.517 1.375 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001571299624 946255433 /nfs/dbraw/zinc/25/54/33/946255433.db2.gz NRJAFWYPFQCNBF-AWEZNQCLSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001571299624 946255440 /nfs/dbraw/zinc/25/54/40/946255440.db2.gz NRJAFWYPFQCNBF-AWEZNQCLSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001571299624 946255449 /nfs/dbraw/zinc/25/54/49/946255449.db2.gz NRJAFWYPFQCNBF-AWEZNQCLSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001571299624 946255455 /nfs/dbraw/zinc/25/54/55/946255455.db2.gz NRJAFWYPFQCNBF-AWEZNQCLSA-N 0 1 390.513 1.920 20 0 GDADMN O=C(c1cccc(C2CC2)c1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571299607 946256644 /nfs/dbraw/zinc/25/66/44/946256644.db2.gz YJVWQANWGQWIIW-MRXNPFEDSA-N 0 1 390.451 1.673 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3csc(Cl)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571300120 946270944 /nfs/dbraw/zinc/27/09/44/946270944.db2.gz VJKMUWOAEHHDDH-VIFPVBQESA-N 0 1 390.860 1.429 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3cnc(C4CC4)nc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302597 946308892 /nfs/dbraw/zinc/30/88/92/946308892.db2.gz CJRROMWAFKUAJE-CQSZACIVSA-N 0 1 391.439 1.246 20 0 GDADMN O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC000823144170 946329085 /nfs/dbraw/zinc/32/90/85/946329085.db2.gz BUTGXBJAORHGOA-UHFFFAOYSA-N 0 1 384.421 1.560 20 0 GDADMN CC1(C)C[C@@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F ZINC001571308735 946436143 /nfs/dbraw/zinc/43/61/43/946436143.db2.gz SPSZKWLJLLAFMT-GHMZBOCLSA-N 0 1 392.414 1.281 20 0 GDADMN C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571309025 946439423 /nfs/dbraw/zinc/43/94/23/946439423.db2.gz WBHWHJVOLYCEHT-PWSUYJOCSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571309026 946440585 /nfs/dbraw/zinc/44/05/85/946440585.db2.gz WBHWHJVOLYCEHT-ZYHUDNBSSA-N 0 1 392.414 1.163 20 0 GDADMN CCCc1ccccc1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571313298 946518123 /nfs/dbraw/zinc/51/81/23/946518123.db2.gz MBSYRRUCCPYEJQ-UHFFFAOYSA-N 0 1 392.467 1.962 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccncc3-c3nn[nH]n3)C2)nc1C ZINC001571315586 946556816 /nfs/dbraw/zinc/55/68/16/946556816.db2.gz LXBBENBOCXUKRS-HUUCEWRRSA-N 0 1 392.467 1.658 20 0 GDADMN CN(C[C@H]1CCN(C(=O)c2cc[nH]c2)C1)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317386 946608769 /nfs/dbraw/zinc/60/87/69/946608769.db2.gz FUTUDKSANYBJMO-SECBINFHSA-N 0 1 392.876 1.903 20 0 GDADMN CC[C@H](C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317820 946621548 /nfs/dbraw/zinc/62/15/48/946621548.db2.gz WIPVNKMLCJTVED-PXAZEXFGSA-N 0 1 392.533 1.622 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824868934 946963769 /nfs/dbraw/zinc/96/37/69/946963769.db2.gz XSPOXVZDTQRJJL-CRAIPNDOSA-N 0 1 384.484 1.716 20 0 GDADMN C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC(C)(C)C1 ZINC000824984982 947024851 /nfs/dbraw/zinc/02/48/51/947024851.db2.gz PZFBGSXVZFXOAB-CQSZACIVSA-N 0 1 397.483 1.956 20 0 GDADMN CCCn1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)c1C1CC1 ZINC000825362795 947164101 /nfs/dbraw/zinc/16/41/01/947164101.db2.gz RCBNBUZVMOUTFP-UHFFFAOYSA-N 0 1 398.475 1.478 20 0 GDADMN CCCn1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)c1C1CC1 ZINC000825362795 947164108 /nfs/dbraw/zinc/16/41/08/947164108.db2.gz RCBNBUZVMOUTFP-UHFFFAOYSA-N 0 1 398.475 1.478 20 0 GDADMN CC[NH+](CC)[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825406109 947176847 /nfs/dbraw/zinc/17/68/47/947176847.db2.gz JUTJNQKLQSQUAC-MRXNPFEDSA-N 0 1 383.456 1.905 20 0 GDADMN CC[NH+](CC)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825406109 947176851 /nfs/dbraw/zinc/17/68/51/947176851.db2.gz JUTJNQKLQSQUAC-MRXNPFEDSA-N 0 1 383.456 1.905 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573591535 947314148 /nfs/dbraw/zinc/31/41/48/947314148.db2.gz CJZOUSZXLSMWCA-STQMWFEESA-N 0 1 375.477 1.199 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573595518 947422411 /nfs/dbraw/zinc/42/24/11/947422411.db2.gz GMLHJMVXULEYBK-WCQYABFASA-N 0 1 378.502 1.273 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573595518 947422415 /nfs/dbraw/zinc/42/24/15/947422415.db2.gz GMLHJMVXULEYBK-WCQYABFASA-N 0 1 378.502 1.273 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccccc2)C2CC2)c1-c1nnn[n-]1 ZINC000826073380 947424919 /nfs/dbraw/zinc/42/49/19/947424919.db2.gz PYMBLFPFFXPMSX-OAHLLOKOSA-N 0 1 380.456 1.874 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000826073380 947424927 /nfs/dbraw/zinc/42/49/27/947424927.db2.gz PYMBLFPFFXPMSX-OAHLLOKOSA-N 0 1 380.456 1.874 20 0 GDADMN C[C@@H](C(=O)N(C)CCOCCNc1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573604231 947507741 /nfs/dbraw/zinc/50/77/41/947507741.db2.gz MSZVTIGVAXJRRI-ZDUSSCGKSA-N 0 1 375.477 1.253 20 0 GDADMN C[C@@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573614888 947595742 /nfs/dbraw/zinc/59/57/42/947595742.db2.gz BHKOMLKKMQWOBS-CQSZACIVSA-N 0 1 392.467 1.888 20 0 GDADMN C[C@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573614887 947595856 /nfs/dbraw/zinc/59/58/56/947595856.db2.gz BHKOMLKKMQWOBS-AWEZNQCLSA-N 0 1 392.467 1.888 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573615283 947604583 /nfs/dbraw/zinc/60/45/83/947604583.db2.gz DAMWKASDQYUUEI-NEPJUHHUSA-N 0 1 384.469 1.559 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573616971 947631752 /nfs/dbraw/zinc/63/17/52/947631752.db2.gz KHMJLRCPNDOCFO-SWLSCSKDSA-N 0 1 384.419 1.154 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573354403 947632308 /nfs/dbraw/zinc/63/23/08/947632308.db2.gz BTDLLFHOHOGDBK-STQMWFEESA-N 0 1 378.440 1.731 20 0 GDADMN C=Cc1ccc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573355093 947640138 /nfs/dbraw/zinc/64/01/38/947640138.db2.gz MJDSGCMKKSFASP-HNNXBMFYSA-N 0 1 376.424 1.438 20 0 GDADMN C=Cc1ccc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573355392 947643218 /nfs/dbraw/zinc/64/32/18/947643218.db2.gz PBEZFYKZFXNZHQ-LJQANCHMSA-N 0 1 376.424 1.699 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC(CCCO)CC2)cc1-c1nn[nH]n1 ZINC000826229972 947671458 /nfs/dbraw/zinc/67/14/58/947671458.db2.gz YWHPGCRIXYBEAQ-UHFFFAOYSA-N 0 1 378.458 1.314 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573627641 947730347 /nfs/dbraw/zinc/73/03/47/947730347.db2.gz DDVGRWIJGHXKDH-UWVGGRQHSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573630815 947797649 /nfs/dbraw/zinc/79/76/49/947797649.db2.gz SOQAGQPOBHEWPT-GJZGRUSLSA-N 0 1 392.467 1.533 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573630817 947797755 /nfs/dbraw/zinc/79/77/55/947797755.db2.gz SOQAGQPOBHEWPT-LSDHHAIUSA-N 0 1 392.467 1.533 20 0 GDADMN C[C@H](C(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573637421 947812398 /nfs/dbraw/zinc/81/23/98/947812398.db2.gz CGLPXXNJVQNCMZ-KGLIPLIRSA-N 0 1 387.488 1.395 20 0 GDADMN CC(=O)CCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573377730 947852955 /nfs/dbraw/zinc/85/29/55/947852955.db2.gz RRXXFFZMNOPLOP-CYBMUJFWSA-N 0 1 392.485 1.005 20 0 GDADMN CC(=O)CCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573377730 947852961 /nfs/dbraw/zinc/85/29/61/947852961.db2.gz RRXXFFZMNOPLOP-CYBMUJFWSA-N 0 1 392.485 1.005 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1CCCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573380890 947865306 /nfs/dbraw/zinc/86/53/06/947865306.db2.gz JIEWEZISKNMOAA-HNNXBMFYSA-N 0 1 385.472 1.805 20 0 GDADMN Cc1cccc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1-c1nn[nH]n1 ZINC000826299341 947867803 /nfs/dbraw/zinc/86/78/03/947867803.db2.gz AFGIXRNXIJMSFE-UHFFFAOYSA-N 0 1 393.450 1.379 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)(C)C ZINC001573644074 947867795 /nfs/dbraw/zinc/86/77/95/947867795.db2.gz XTFJOHBFTNCDCT-STQMWFEESA-N 0 1 392.529 1.927 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)(C)C ZINC001573644074 947867797 /nfs/dbraw/zinc/86/77/97/947867797.db2.gz XTFJOHBFTNCDCT-STQMWFEESA-N 0 1 392.529 1.927 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573646525 947875495 /nfs/dbraw/zinc/87/54/95/947875495.db2.gz PJXCIHFRWIAWSA-ZWKOPEQDSA-N 0 1 388.819 1.007 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1-c1nn[n-]n1 ZINC000826307835 947884582 /nfs/dbraw/zinc/88/45/82/947884582.db2.gz YASXSMHLENMDDC-UHFFFAOYSA-N 0 1 395.467 1.749 20 0 GDADMN Cc1onc(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1-c1nn[n-]n1 ZINC000826307835 947884587 /nfs/dbraw/zinc/88/45/87/947884587.db2.gz YASXSMHLENMDDC-UHFFFAOYSA-N 0 1 395.467 1.749 20 0 GDADMN CC(=O)CCCC(=O)NCC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001573382542 947886000 /nfs/dbraw/zinc/88/60/00/947886000.db2.gz IHGBNKFYWWZFPG-UKRRQHHQSA-N 0 1 385.472 1.600 20 0 GDADMN C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573647262 947889611 /nfs/dbraw/zinc/88/96/11/947889611.db2.gz GKTFSGVCNDICAS-PJFSTRORSA-N 0 1 382.472 1.165 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCCC1 ZINC001573647586 947898511 /nfs/dbraw/zinc/89/85/11/947898511.db2.gz PQHKETMEWXZRBP-IIAWOOMASA-N 0 1 399.503 1.180 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573647586 947898519 /nfs/dbraw/zinc/89/85/19/947898519.db2.gz PQHKETMEWXZRBP-IIAWOOMASA-N 0 1 399.503 1.180 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C(C)(F)F ZINC001573650977 947914933 /nfs/dbraw/zinc/91/49/33/947914933.db2.gz HDDVLQXHPJTMBA-UPJWGTAASA-N 0 1 391.426 1.838 20 0 GDADMN C[C@H](C(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573652298 947933871 /nfs/dbraw/zinc/93/38/71/947933871.db2.gz WVHFXUXHTOEZRU-NRYVIMAVSA-N 0 1 380.821 1.356 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573656193 947985513 /nfs/dbraw/zinc/98/55/13/947985513.db2.gz DIAJJPKRFVWSHH-AWEZNQCLSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573656834 947993844 /nfs/dbraw/zinc/99/38/44/947993844.db2.gz IPTXVZJKWNBNGM-JTQLQIEISA-N 0 1 383.378 1.935 20 0 GDADMN Cc1onc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c1-c1nnn[n-]1 ZINC000826348151 948068934 /nfs/dbraw/zinc/06/89/34/948068934.db2.gz XGZQDNXCNXEMIV-UHFFFAOYSA-N 0 1 381.440 1.618 20 0 GDADMN Cc1onc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826348151 948068946 /nfs/dbraw/zinc/06/89/46/948068946.db2.gz XGZQDNXCNXEMIV-UHFFFAOYSA-N 0 1 381.440 1.618 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573665266 948070627 /nfs/dbraw/zinc/07/06/27/948070627.db2.gz JZRYKPBKXIRMOH-PBHICJAKSA-N 0 1 380.456 1.405 20 0 GDADMN CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573433605 948203303 /nfs/dbraw/zinc/20/33/03/948203303.db2.gz MMKAAUBZOAMQFR-DOTOQJQBSA-N 0 1 390.513 1.824 20 0 GDADMN CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573433605 948203310 /nfs/dbraw/zinc/20/33/10/948203310.db2.gz MMKAAUBZOAMQFR-DOTOQJQBSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C(C)(C)C ZINC001573691110 948236086 /nfs/dbraw/zinc/23/60/86/948236086.db2.gz HNHQEENVLMNFCA-SGTLLEGYSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1)[NH+]1CCCCCC1 ZINC001573691982 948252457 /nfs/dbraw/zinc/25/24/57/948252457.db2.gz KHBMIFIOAABOFR-AWEZNQCLSA-N 0 1 384.488 1.587 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001573695691 948309007 /nfs/dbraw/zinc/30/90/07/948309007.db2.gz YMWPYIOUTJVOPO-CMPLNLGQSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccsc1 ZINC001573695691 948309016 /nfs/dbraw/zinc/30/90/16/948309016.db2.gz YMWPYIOUTJVOPO-CMPLNLGQSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@H](C(=O)NC[C@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573696151 948318325 /nfs/dbraw/zinc/31/83/25/948318325.db2.gz LONSHXYIDWKIJA-HXPMCKFVSA-N 0 1 388.447 1.105 20 0 GDADMN CC(=O)NCC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H](C)C(=O)[O-] ZINC001602758271 971476155 /nfs/dbraw/zinc/47/61/55/971476155.db2.gz AQWJSGYBGSBQNJ-NSHDSACASA-N 0 1 380.832 1.844 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573714556 948474758 /nfs/dbraw/zinc/47/47/58/948474758.db2.gz ICYIDKKIOPRSSW-STQMWFEESA-N 0 1 382.428 1.386 20 0 GDADMN C[C@H](C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573717984 948513704 /nfs/dbraw/zinc/51/37/04/948513704.db2.gz GFOKUXSOEVEXIB-NSHDSACASA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccc(Cl)s1 ZINC001573732431 948602685 /nfs/dbraw/zinc/60/26/85/948602685.db2.gz PEYLGFQYOWDHFE-IUCAKERBSA-N 0 1 392.876 1.514 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573748860 948697546 /nfs/dbraw/zinc/69/75/46/948697546.db2.gz VUNHJULFQARMCN-CWRNSKLLSA-N 0 1 384.488 1.585 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575221793 948750930 /nfs/dbraw/zinc/75/09/30/948750930.db2.gz CTSYQYCPUUUMCK-UHFFFAOYSA-N 0 1 392.414 1.165 20 0 GDADMN C[C@@H](CNC(=O)CCc1cccnc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574914877 948756882 /nfs/dbraw/zinc/75/68/82/948756882.db2.gz OKIPIUJWFKEPJT-ZDUSSCGKSA-N 0 1 383.431 1.628 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccc(F)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574915025 948761368 /nfs/dbraw/zinc/76/13/68/948761368.db2.gz PEEWZIIODWYSQG-GFCCVEGCSA-N 0 1 384.419 1.015 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001575224754 948791620 /nfs/dbraw/zinc/79/16/20/948791620.db2.gz YHSZWZDPRUCQLU-NSHDSACASA-N 0 1 377.399 1.522 20 0 GDADMN CC(C)c1ccccc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420001 948793376 /nfs/dbraw/zinc/79/33/76/948793376.db2.gz ODWAZSWPGNEOIP-CQSZACIVSA-N 0 1 392.467 1.919 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnccn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917074 948805678 /nfs/dbraw/zinc/80/56/78/948805678.db2.gz QAJUFXCHCPVSRM-LBPRGKRZSA-N 0 1 384.419 1.023 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573761507 948843886 /nfs/dbraw/zinc/84/38/86/948843886.db2.gz JEROVYKMYWSSEC-JTQLQIEISA-N 0 1 380.403 1.020 20 0 GDADMN CC(F)(F)CC(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575231971 948874831 /nfs/dbraw/zinc/87/48/31/948874831.db2.gz CGYBVLZEHMDPPA-LLVKDONJSA-N 0 1 380.403 1.567 20 0 GDADMN CC(C)c1nc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574425472 948876434 /nfs/dbraw/zinc/87/64/34/948876434.db2.gz FMQNVLHBCUTBLF-JTQLQIEISA-N 0 1 387.473 1.279 20 0 GDADMN CC(C)c1ncc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)s1 ZINC001574427478 948904034 /nfs/dbraw/zinc/90/40/34/948904034.db2.gz FTCKVUKRZIVNAK-UHFFFAOYSA-N 0 1 385.457 1.199 20 0 GDADMN CC(C)[C@H]1CCCCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574088155 948909172 /nfs/dbraw/zinc/90/91/72/948909172.db2.gz BDZSYFJLSDVDRO-OAHLLOKOSA-N 0 1 378.502 1.936 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001573765847 948926959 /nfs/dbraw/zinc/92/69/59/948926959.db2.gz MZPMRCBLVADEIJ-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573766033 948929330 /nfs/dbraw/zinc/92/93/30/948929330.db2.gz VAFQGVDHJSEFSX-CYBMUJFWSA-N 0 1 387.463 1.893 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573771050 948932198 /nfs/dbraw/zinc/93/21/98/948932198.db2.gz AJKCDXSVCWFSJZ-NXEZZACHSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001573771115 948936956 /nfs/dbraw/zinc/93/69/56/948936956.db2.gz CDYDJBPBWOIFQG-YUTCNCBUSA-N 0 1 382.472 1.566 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574432900 948941607 /nfs/dbraw/zinc/94/16/07/948941607.db2.gz OSLSCUQURXQMNM-NWDGAFQWSA-N 0 1 381.444 1.216 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432813 948941644 /nfs/dbraw/zinc/94/16/44/948941644.db2.gz DTJJWSQSWYSZFR-UHFFFAOYSA-N 0 1 382.472 1.585 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575239832 948965336 /nfs/dbraw/zinc/96/53/36/948965336.db2.gz VVBVKLZYDOLITE-SRVKXCTJSA-N 0 1 392.414 1.566 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433854 948966987 /nfs/dbraw/zinc/96/69/87/948966987.db2.gz SUAGBAVYJBJPNS-VHSXEESVSA-N 0 1 387.473 1.277 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001573772833 948967232 /nfs/dbraw/zinc/96/72/32/948967232.db2.gz FZASVCZSUAYDDF-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)[N@H+](C)CC(=O)NC[C@@H](C)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574926356 948996994 /nfs/dbraw/zinc/99/69/94/948996994.db2.gz OJYYLKKNXACESC-SECBINFHSA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926356 948997035 /nfs/dbraw/zinc/99/70/35/948997035.db2.gz OJYYLKKNXACESC-SECBINFHSA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[N@H+](C)CC(=O)NC[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926356 948997045 /nfs/dbraw/zinc/99/70/45/948997045.db2.gz OJYYLKKNXACESC-SECBINFHSA-N 0 1 386.913 1.481 20 0 GDADMN C[C@H](CNC(=O)C[NH+]1CCCC1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926494 949001392 /nfs/dbraw/zinc/00/13/92/949001392.db2.gz SGEWNWJKASXTIY-SECBINFHSA-N 0 1 384.897 1.237 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574692649 949035098 /nfs/dbraw/zinc/03/50/98/949035098.db2.gz ABQBEFIALNPWNN-ZDUSSCGKSA-N 0 1 387.488 1.395 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573779018 949053978 /nfs/dbraw/zinc/05/39/78/949053978.db2.gz CKAHSTOGICRQQR-SNVBAGLBSA-N 0 1 383.378 1.793 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574442720 949100789 /nfs/dbraw/zinc/10/07/89/949100789.db2.gz RWKQHSHOQAMXKU-OAHLLOKOSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574930271 949107065 /nfs/dbraw/zinc/10/70/65/949107065.db2.gz KJSFXYZSIPYSCQ-QMMMGPOBSA-N 0 1 385.881 1.852 20 0 GDADMN CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446375 949128686 /nfs/dbraw/zinc/12/86/86/949128686.db2.gz NSGXVGMKPBUECE-GFCCVEGCSA-N 0 1 382.428 1.772 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573782753 949131438 /nfs/dbraw/zinc/13/14/38/949131438.db2.gz XRJXKSSWEJBIEP-AOOOYVTPSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001602792863 971552304 /nfs/dbraw/zinc/55/23/04/971552304.db2.gz MNXWOACWXUQYIF-OAGGEKHMSA-N 0 1 376.453 1.908 20 0 GDADMN C[C@@H](NC(=O)[C@]1(F)CCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575251318 949134672 /nfs/dbraw/zinc/13/46/72/949134672.db2.gz ANXOXCOVDGFNAN-ZMZPIMSZSA-N 0 1 392.410 1.071 20 0 GDADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001602793059 971553082 /nfs/dbraw/zinc/55/30/82/971553082.db2.gz OPCSOYCSPFUQMS-SNPRPXQTSA-N 0 1 399.451 1.036 20 0 GDADMN C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251866 949152404 /nfs/dbraw/zinc/15/24/04/949152404.db2.gz OTWSAABBYVAGHK-RKDXNWHRSA-N 0 1 384.366 1.116 20 0 GDADMN C[C@H](CNC(=O)COc1cccnc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574934432 949158246 /nfs/dbraw/zinc/15/82/46/949158246.db2.gz IDHWSUODIATZTJ-GFCCVEGCSA-N 0 1 385.403 1.074 20 0 GDADMN C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575253164 949182490 /nfs/dbraw/zinc/18/24/90/949182490.db2.gz IZOGJWGFMFGMAM-QWHCGFSZSA-N 0 1 378.440 1.116 20 0 GDADMN CC(C)CC(=O)N(C)C[C@H](O)CN(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574099706 949183817 /nfs/dbraw/zinc/18/38/17/949183817.db2.gz NVMMQTUDMWGBQA-VIFPVBQESA-N 0 1 387.897 1.278 20 0 GDADMN C[C@@H](CNC(=O)C[C@H]1CCOC1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574935410 949199912 /nfs/dbraw/zinc/19/99/12/949199912.db2.gz BQOHLARPJSOCSD-DTWKUNHWSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574937232 949218597 /nfs/dbraw/zinc/21/85/97/949218597.db2.gz MXGMTHIXCQEAIJ-SNVBAGLBSA-N 0 1 389.822 1.635 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001575854450 949232284 /nfs/dbraw/zinc/23/22/84/949232284.db2.gz XPXAMXBADVGJFC-NHAGDIPZSA-N 0 1 382.472 1.308 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001575854436 949232474 /nfs/dbraw/zinc/23/24/74/949232474.db2.gz WXCWDUWFFAGIEE-UHFFFAOYSA-N 0 1 386.847 1.772 20 0 GDADMN C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575255429 949233608 /nfs/dbraw/zinc/23/36/08/949233608.db2.gz QBVMSIWFKTVFQA-STQMWFEESA-N 0 1 388.451 1.518 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574451682 949238147 /nfs/dbraw/zinc/23/81/47/949238147.db2.gz UDGUOEZJCBRYJY-HAQNSBGRSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574938757 949254270 /nfs/dbraw/zinc/25/42/70/949254270.db2.gz ZZHIBWKBLCIYSP-SNVBAGLBSA-N 0 1 389.822 1.635 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccccc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574940722 949275085 /nfs/dbraw/zinc/27/50/85/949275085.db2.gz IWRZUUXVEVGRKX-NSHDSACASA-N 0 1 386.847 1.494 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccon1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574941410 949301372 /nfs/dbraw/zinc/30/13/72/949301372.db2.gz DFHRWTKGYYLLAG-ZETCQYMHSA-N 0 1 382.837 1.148 20 0 GDADMN C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575259159 949325505 /nfs/dbraw/zinc/32/55/05/949325505.db2.gz MXAGJGWUSGBNLJ-KGLIPLIRSA-N 0 1 383.456 1.677 20 0 GDADMN CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109730 949326257 /nfs/dbraw/zinc/32/62/57/949326257.db2.gz BNNOSHDWMDJBCU-CXAGYDPISA-N 0 1 390.463 1.757 20 0 GDADMN C[C@@H](NC(=O)[C@@H]1CCCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575262745 949378190 /nfs/dbraw/zinc/37/81/90/949378190.db2.gz BTGFNJAYFONBNI-TZMCWYRMSA-N 0 1 388.447 1.369 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001574464186 949402182 /nfs/dbraw/zinc/40/21/82/949402182.db2.gz IMSIXBSRXQRGIC-LBPRGKRZSA-N 0 1 386.485 1.710 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001574464186 949402196 /nfs/dbraw/zinc/40/21/96/949402196.db2.gz IMSIXBSRXQRGIC-LBPRGKRZSA-N 0 1 386.485 1.710 20 0 GDADMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@](COC)(C(=O)[O-])C2)C1 ZINC001589623737 949449463 /nfs/dbraw/zinc/44/94/63/949449463.db2.gz YFTLLJUJGDIEGE-DNVCBOLYSA-N 0 1 385.505 1.399 20 0 GDADMN CC(C)n1ncc(C(=O)N[C@@H](C)CNc2ccncc2-c2nn[nH]n2)c1Cl ZINC001574468045 949452200 /nfs/dbraw/zinc/45/22/00/949452200.db2.gz GBMNQIKGGUFUHU-JTQLQIEISA-N 0 1 389.851 1.345 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575868724 949461552 /nfs/dbraw/zinc/46/15/52/949461552.db2.gz OPHIOTAJSWWREK-MNOVXSKESA-N 0 1 392.414 1.566 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576157096 949472342 /nfs/dbraw/zinc/47/23/42/949472342.db2.gz PMPSHXIGPWHYLC-KGLIPLIRSA-N 0 1 384.488 1.603 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)CCOC1 ZINC001575537170 949490324 /nfs/dbraw/zinc/49/03/24/949490324.db2.gz SHRUIZKHTBHRIK-XLKFXECMSA-N 0 1 383.865 1.416 20 0 GDADMN C[C@H]1CCCC[C@]1(CNCc1ccon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576158883 949510434 /nfs/dbraw/zinc/51/04/34/949510434.db2.gz VMNOPCKVVKAAQR-KPZWWZAWSA-N 0 1 384.444 1.651 20 0 GDADMN C[C@@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575268731 949526633 /nfs/dbraw/zinc/52/66/33/949526633.db2.gz OLGRLYKYNBOBCP-ZIAGYGMSSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CC(C)(C)C2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164907 949560353 /nfs/dbraw/zinc/56/03/53/949560353.db2.gz IFZXBNNOXXFRDN-JSGCOSHPSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCCCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576165970 949572116 /nfs/dbraw/zinc/57/21/16/949572116.db2.gz KREGWEYOKOZWQO-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574712477 949579296 /nfs/dbraw/zinc/57/92/96/949579296.db2.gz SRJVUCYCNNADOK-OCCSQVGLSA-N 0 1 378.440 1.067 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cncnc1 ZINC001573812184 949611783 /nfs/dbraw/zinc/61/17/83/949611783.db2.gz QQJVIFLJROWKER-AWEZNQCLSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cncnc1 ZINC001573812184 949611792 /nfs/dbraw/zinc/61/17/92/949611792.db2.gz QQJVIFLJROWKER-AWEZNQCLSA-N 0 1 386.485 1.653 20 0 GDADMN C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574476884 949626111 /nfs/dbraw/zinc/62/61/11/949626111.db2.gz LJGIMZYNFKSEAP-OAHLLOKOSA-N 0 1 382.472 1.605 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574715173 949642093 /nfs/dbraw/zinc/64/20/93/949642093.db2.gz HHLXMQUYLIPKRM-RKDXNWHRSA-N 0 1 385.881 1.805 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2cccnc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576168646 949647853 /nfs/dbraw/zinc/64/78/53/949647853.db2.gz CTLJESJJZLYPQE-KDOFPFPSSA-N 0 1 392.467 1.360 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CC12CCCC2 ZINC001573815208 949648710 /nfs/dbraw/zinc/64/87/10/949648710.db2.gz GWCFMQVHRBPROF-CHWSQXEVSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573816155 949671900 /nfs/dbraw/zinc/67/19/00/949671900.db2.gz PEEZQESALNTYTJ-UWVGGRQHSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574958608 949679660 /nfs/dbraw/zinc/67/96/60/949679660.db2.gz UMFVFQQCNLVYIA-RCDCFZSISA-N 0 1 392.467 1.437 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716102 949679823 /nfs/dbraw/zinc/67/98/23/949679823.db2.gz MJWHQPFEYOOWTB-BBRMVZONSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cc(Cl)no1 ZINC001573817802 949709060 /nfs/dbraw/zinc/70/90/60/949709060.db2.gz BGAGMAMCISKKJF-LBPRGKRZSA-N 0 1 390.835 1.582 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170152 949709674 /nfs/dbraw/zinc/70/96/74/949709674.db2.gz JJXZMXVROOKSRD-UONOGXRCSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170152 949709692 /nfs/dbraw/zinc/70/96/92/949709692.db2.gz JJXZMXVROOKSRD-UONOGXRCSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001574959790 949717693 /nfs/dbraw/zinc/71/76/93/949717693.db2.gz UDVIYHLAGJEEKT-YUSALJHKSA-N 0 1 385.407 1.092 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573818245 949726599 /nfs/dbraw/zinc/72/65/99/949726599.db2.gz IZCFTJILNYUEFX-BBRMVZONSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@H]1CCCC[C@H]1CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576170597 949730744 /nfs/dbraw/zinc/73/07/44/949730744.db2.gz MCWMUKMAXMEJSJ-ZQDZILKHSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171199 949750641 /nfs/dbraw/zinc/75/06/41/949750641.db2.gz PJPYHKSEDMEHLF-ZFWWWQNUSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171199 949750655 /nfs/dbraw/zinc/75/06/55/949750655.db2.gz PJPYHKSEDMEHLF-ZFWWWQNUSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574965468 949799502 /nfs/dbraw/zinc/79/95/02/949799502.db2.gz GHXJZLWTSKAARS-LLVKDONJSA-N 0 1 381.444 1.127 20 0 GDADMN CC1(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001575561549 949810660 /nfs/dbraw/zinc/81/06/60/949810660.db2.gz BFIAPIRZCQCGSC-KRWDZBQOSA-N 0 1 384.484 1.764 20 0 GDADMN CC(C)OCCC(=O)N(C)C[C@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574721755 949822327 /nfs/dbraw/zinc/82/23/27/949822327.db2.gz NKQWLXOVBFEDQQ-ZDUSSCGKSA-N 0 1 378.452 1.757 20 0 GDADMN C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001576173768 949843869 /nfs/dbraw/zinc/84/38/69/949843869.db2.gz YSIQKXHWAMVTQH-KBXIAJHMSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H](NC(=O)COCC1CC1)[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575283126 949862455 /nfs/dbraw/zinc/86/24/55/949862455.db2.gz NNEDMLVTIITNRL-HTQZYQBOSA-N 0 1 385.881 1.708 20 0 GDADMN C[C@@]1(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC=CCC1 ZINC001575565256 949878859 /nfs/dbraw/zinc/87/88/59/949878859.db2.gz VBAADRMGPMIWSM-SVGDTCPJSA-N 0 1 382.472 1.664 20 0 GDADMN C[C@H](NC(=O)COC(C)(C)C)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575284728 949915558 /nfs/dbraw/zinc/91/55/58/949915558.db2.gz WCKDWUFUGLKGEG-LBPRGKRZSA-N 0 1 390.463 1.757 20 0 GDADMN C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285301 949939966 /nfs/dbraw/zinc/93/99/66/949939966.db2.gz MOLQBRQXMWDVDE-KBPBESRZSA-N 0 1 380.456 1.125 20 0 GDADMN C[C@@]1(C(=O)NC2CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)CCOC1 ZINC001575571184 949953740 /nfs/dbraw/zinc/95/37/40/949953740.db2.gz YGMIFSYGILUHDP-LJQANCHMSA-N 0 1 388.447 1.513 20 0 GDADMN CC1(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)CCCC1 ZINC001575571209 949954430 /nfs/dbraw/zinc/95/44/30/949954430.db2.gz YTNAAIJBKVSYSA-IAGOWNOFSA-N 0 1 384.484 1.498 20 0 GDADMN C[C@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574489280 949960264 /nfs/dbraw/zinc/96/02/64/949960264.db2.gz IAWRMAQFEFSEMF-RNCFNFMXSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](NC(=O)CCn1cccc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575286475 949984079 /nfs/dbraw/zinc/98/40/79/949984079.db2.gz XAYMFOMIEGWWPS-OAHLLOKOSA-N 0 1 379.468 1.695 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574490326 949987165 /nfs/dbraw/zinc/98/71/65/949987165.db2.gz PUYPZFXYQJVXQJ-XJKCOSOUSA-N 0 1 381.440 1.729 20 0 GDADMN C[C@@H](CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)n1cccc1 ZINC001574490429 949997487 /nfs/dbraw/zinc/99/74/87/949997487.db2.gz RMKOYJQOAWYKDI-HRCADAONSA-N 0 1 392.467 1.609 20 0 GDADMN C[C@@H](NC(=O)Cc1ccoc1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575289619 949998795 /nfs/dbraw/zinc/99/87/95/949998795.db2.gz ALZJQDPDQVWFER-HIFRSBDPSA-N 0 1 381.440 1.819 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCCOC1 ZINC001575573728 950003778 /nfs/dbraw/zinc/00/37/78/950003778.db2.gz OKGXZHCDJZEFGJ-KBXCAEBGSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCCOC1 ZINC001575573728 950003810 /nfs/dbraw/zinc/00/38/10/950003810.db2.gz OKGXZHCDJZEFGJ-KBXCAEBGSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574490761 950020965 /nfs/dbraw/zinc/02/09/65/950020965.db2.gz YHLSSVXJXOAHPS-IHRRRGAJSA-N 0 1 384.488 1.909 20 0 GDADMN CC1(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)c2ccccc2)CCC1 ZINC001575574766 950028084 /nfs/dbraw/zinc/02/80/84/950028084.db2.gz YPTZJMQITFVDEG-AWEZNQCLSA-N 0 1 378.440 1.538 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491985 950058172 /nfs/dbraw/zinc/05/81/72/950058172.db2.gz HYALNMGSNXCBNK-HIFRSBDPSA-N 0 1 378.440 1.545 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574731967 950059609 /nfs/dbraw/zinc/05/96/09/950059609.db2.gz YYFRFVHELBKTNX-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccc(F)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574731967 950059627 /nfs/dbraw/zinc/05/96/27/950059627.db2.gz YYFRFVHELBKTNX-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN CC(C)(C)CC(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573836222 950072039 /nfs/dbraw/zinc/07/20/39/950072039.db2.gz HDCLESXGHQCNIT-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN C[C@@H](C(=O)[O-])[NH+]1CCC(c2nc(CNC(=O)OCc3ccccc3)n[nH]2)CC1 ZINC001602822092 971632419 /nfs/dbraw/zinc/63/24/19/971632419.db2.gz ZOZSDVFQGUJQIK-ZDUSSCGKSA-N 0 1 387.440 1.884 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183660 950094583 /nfs/dbraw/zinc/09/45/83/950094583.db2.gz RDCZXBWBZAGXRO-HIFRSBDPSA-N 0 1 385.472 1.007 20 0 GDADMN CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574492765 950103561 /nfs/dbraw/zinc/10/35/61/950103561.db2.gz COQXTDBMOJRPDQ-STQMWFEESA-N 0 1 384.444 1.418 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574493024 950112318 /nfs/dbraw/zinc/11/23/18/950112318.db2.gz QSGHFMANHFHRMA-YOEHRIQHSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576184432 950128741 /nfs/dbraw/zinc/12/87/41/950128741.db2.gz WJBRWKIPIROPGH-LRDDRELGSA-N 0 1 381.444 1.150 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575898223 950154514 /nfs/dbraw/zinc/15/45/14/950154514.db2.gz RXSIFLDBERNCII-CXAGYDPISA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001574494264 950160641 /nfs/dbraw/zinc/16/06/41/950160641.db2.gz JNCOMBZCMIGJSA-BDAKNGLRSA-N 0 1 392.407 1.083 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574494585 950168323 /nfs/dbraw/zinc/16/83/23/950168323.db2.gz LQKGPVDVIJFHOQ-NOZJJQNGSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cccc(F)c1Cl ZINC001574982588 950175246 /nfs/dbraw/zinc/17/52/46/950175246.db2.gz DXINXRBJXRRWLN-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C1CC1)C1CC1 ZINC001574155187 950189081 /nfs/dbraw/zinc/18/90/81/950189081.db2.gz JPKIVDRWCLDHII-CQSZACIVSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)(C)CCCN1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573844622 950200373 /nfs/dbraw/zinc/20/03/73/950200373.db2.gz KUYRTNYWNZJUTD-AWEZNQCLSA-N 0 1 375.477 1.452 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573846671 950250248 /nfs/dbraw/zinc/25/02/48/950250248.db2.gz UHVDCHWYOOHCFZ-XEKQOVJPSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574157759 950255906 /nfs/dbraw/zinc/25/59/06/950255906.db2.gz IBHQRODUOLMKKK-JTOWHCCKSA-N 0 1 399.499 1.442 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903191 950271932 /nfs/dbraw/zinc/27/19/32/950271932.db2.gz YUYJVMBJSKGANJ-RISCZKNCSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906046 950302511 /nfs/dbraw/zinc/30/25/11/950302511.db2.gz GIOKINOGPQODRY-CABZTGNLSA-N 0 1 375.433 1.788 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906046 950302534 /nfs/dbraw/zinc/30/25/34/950302534.db2.gz GIOKINOGPQODRY-CABZTGNLSA-N 0 1 375.433 1.788 20 0 GDADMN C[C@H]1[C@@H](NCc2cc(F)ccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575906022 950303787 /nfs/dbraw/zinc/30/37/87/950303787.db2.gz FZHMHCQEWMSWKD-BONVTDFDSA-N 0 1 387.394 1.866 20 0 GDADMN C[C@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193943 950324306 /nfs/dbraw/zinc/32/43/06/950324306.db2.gz WSBKSYRHEZJMBN-RYUDHWBXSA-N 0 1 384.469 1.350 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574159918 950325391 /nfs/dbraw/zinc/32/53/91/950325391.db2.gz ZTIMWPKNUQDQOY-ZDUSSCGKSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1ccnc1 ZINC001574501484 950337545 /nfs/dbraw/zinc/33/75/45/950337545.db2.gz DRMXZHBVCXHTAW-YOEHRIQHSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576194488 950348170 /nfs/dbraw/zinc/34/81/70/950348170.db2.gz ZILRZCPWOVVIFY-UONOGXRCSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576194488 950348194 /nfs/dbraw/zinc/34/81/94/950348194.db2.gz ZILRZCPWOVVIFY-UONOGXRCSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001576197273 950391738 /nfs/dbraw/zinc/39/17/38/950391738.db2.gz MMCNQPVPXRTKRH-SECBINFHSA-N 0 1 384.897 1.189 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)CCNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001576197273 950391803 /nfs/dbraw/zinc/39/18/03/950391803.db2.gz MMCNQPVPXRTKRH-SECBINFHSA-N 0 1 384.897 1.189 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001576197273 950391820 /nfs/dbraw/zinc/39/18/20/950391820.db2.gz MMCNQPVPXRTKRH-SECBINFHSA-N 0 1 384.897 1.189 20 0 GDADMN CC(C)CC1(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574162715 950399774 /nfs/dbraw/zinc/39/97/74/950399774.db2.gz HNGJBUIZWYNBHK-AWEZNQCLSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162755 950401165 /nfs/dbraw/zinc/40/11/65/950401165.db2.gz IOAYDGBNGUIRFJ-AWEZNQCLSA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2ccncc2-c2nn[nH]n2)nn1C ZINC001574747578 950411009 /nfs/dbraw/zinc/41/10/09/950411009.db2.gz UHLBFEGGFWHNQH-LBPRGKRZSA-N 0 1 383.460 1.113 20 0 GDADMN C[C@@]1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000379987678 971668765 /nfs/dbraw/zinc/66/87/65/971668765.db2.gz LEQOUZQEQBLKFM-SFHVURJKSA-N 0 1 392.481 1.158 20 0 GDADMN C[C@H](CC(=O)N[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cccn1 ZINC001574508032 950469645 /nfs/dbraw/zinc/46/96/45/950469645.db2.gz LSJZUAFPCXDVTG-QWHCGFSZSA-N 0 1 386.435 1.448 20 0 GDADMN C[C@@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204779 950478075 /nfs/dbraw/zinc/47/80/75/950478075.db2.gz RIBJUOAOUOAOPV-STQMWFEESA-N 0 1 375.452 1.289 20 0 GDADMN C[C@@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576204779 950478087 /nfs/dbraw/zinc/47/80/87/950478087.db2.gz RIBJUOAOUOAOPV-STQMWFEESA-N 0 1 375.452 1.289 20 0 GDADMN CC(C)CCC(=O)N(C)C[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574167341 950480572 /nfs/dbraw/zinc/48/05/72/950480572.db2.gz AUJBYBDTZXMHDU-SECBINFHSA-N 0 1 387.897 1.644 20 0 GDADMN C[C@]1(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380026770 971670814 /nfs/dbraw/zinc/67/08/14/971670814.db2.gz VGBLUBLUXMGORD-FXAWDEMLSA-N 0 1 375.469 1.784 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573867367 950533771 /nfs/dbraw/zinc/53/37/71/950533771.db2.gz XMIODUCMAGYQHA-AWEZNQCLSA-N 0 1 376.436 1.511 20 0 GDADMN CC1(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)CC(F)(F)C1 ZINC001575614703 950546601 /nfs/dbraw/zinc/54/66/01/950546601.db2.gz NCQJYTJTTKKQMW-PJXYFTJBSA-N 0 1 375.383 1.248 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001576205969 950550102 /nfs/dbraw/zinc/55/01/02/950550102.db2.gz SCLVLXPMZOFEQK-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001576205969 950550118 /nfs/dbraw/zinc/55/01/18/950550118.db2.gz SCLVLXPMZOFEQK-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576206924 950582820 /nfs/dbraw/zinc/58/28/20/950582820.db2.gz ZPZCTCMFUQBSOI-WBMJQRKESA-N 0 1 387.463 1.654 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576206924 950582837 /nfs/dbraw/zinc/58/28/37/950582837.db2.gz ZPZCTCMFUQBSOI-WBMJQRKESA-N 0 1 387.463 1.654 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573870121 950585381 /nfs/dbraw/zinc/58/53/81/950585381.db2.gz FATXQCHDGNWUNY-CQSZACIVSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573870571 950599308 /nfs/dbraw/zinc/59/93/08/950599308.db2.gz IUECKFJVKXTDKG-CQSZACIVSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573870571 950599327 /nfs/dbraw/zinc/59/93/27/950599327.db2.gz IUECKFJVKXTDKG-CQSZACIVSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)CCC(=O)N[C@]1(CO)CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574173904 950605999 /nfs/dbraw/zinc/60/59/99/950605999.db2.gz ARKFFNOYDIPDLM-HXUWFJFHSA-N 0 1 386.500 1.746 20 0 GDADMN CC1(C)C(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)C1(C)C ZINC001575618205 950607723 /nfs/dbraw/zinc/60/77/23/950607723.db2.gz HXZGJXAEGGBRDQ-GFCCVEGCSA-N 0 1 390.463 1.255 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCC1CCCCC1 ZINC001575919396 950614955 /nfs/dbraw/zinc/61/49/55/950614955.db2.gz HPZXYWTXJCNKHG-ZFWWWQNUSA-N 0 1 384.488 1.840 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575001281 950626709 /nfs/dbraw/zinc/62/67/09/950626709.db2.gz JTXUGXDPFRCFAZ-MRVPVSSYSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574515687 950629644 /nfs/dbraw/zinc/62/96/44/950629644.db2.gz DSKZLWDWDOMLEO-DZKIICNBSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576213655 950639343 /nfs/dbraw/zinc/63/93/43/950639343.db2.gz FWTXDWXHPKESCB-RBSFLKMASA-N 0 1 384.488 1.443 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576213655 950639354 /nfs/dbraw/zinc/63/93/54/950639354.db2.gz FWTXDWXHPKESCB-RBSFLKMASA-N 0 1 384.488 1.443 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccn(C)c1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574759626 950644097 /nfs/dbraw/zinc/64/40/97/950644097.db2.gz PRWCYPAMXYXNMQ-QMMMGPOBSA-N 0 1 380.865 1.888 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575922203 950644223 /nfs/dbraw/zinc/64/42/23/950644223.db2.gz OXIRFRFINGREBZ-BXUZGUMPSA-N 0 1 391.439 1.066 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575922387 950646989 /nfs/dbraw/zinc/64/69/89/950646989.db2.gz PILNRHJLGKPYDI-NOZJJQNGSA-N 0 1 386.366 1.072 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574518689 950654300 /nfs/dbraw/zinc/65/43/00/950654300.db2.gz PQXIFAQJDPPMES-QEJZJMRPSA-N 0 1 378.440 1.332 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575923497 950658264 /nfs/dbraw/zinc/65/82/64/950658264.db2.gz BQJHYELMFZOKJM-ZUZCIYMTSA-N 0 1 385.378 1.677 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC001575923563 950664492 /nfs/dbraw/zinc/66/44/92/950664492.db2.gz CEIYQRQDPSEKCF-ABAIWWIYSA-N 0 1 389.423 1.275 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccc2nc[nH]c21)Nc1ccncc1-c1nn[nH]n1 ZINC001574760536 950669051 /nfs/dbraw/zinc/66/90/51/950669051.db2.gz WPKSYTCGRCOWLM-NSHDSACASA-N 0 1 377.412 1.133 20 0 GDADMN CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001589744873 950673655 /nfs/dbraw/zinc/67/36/55/950673655.db2.gz IQFXZEDZONMFGR-IFXJQAMLSA-N 0 1 399.488 1.068 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575926354 950711146 /nfs/dbraw/zinc/71/11/46/950711146.db2.gz JLRTWDHUGCYSKH-NOZJJQNGSA-N 0 1 386.366 1.072 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573878622 950718468 /nfs/dbraw/zinc/71/84/68/950718468.db2.gz XCVAJJGRHSEWHV-CYZMBNFOSA-N 0 1 378.502 1.177 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573878622 950718482 /nfs/dbraw/zinc/71/84/82/950718482.db2.gz XCVAJJGRHSEWHV-CYZMBNFOSA-N 0 1 378.502 1.177 20 0 GDADMN CC1CCN(CCNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2Cl)CC1 ZINC001576215987 950718774 /nfs/dbraw/zinc/71/87/74/950718774.db2.gz XMYYAZMPEQZIPC-UHFFFAOYSA-N 0 1 384.893 1.530 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573878614 950719710 /nfs/dbraw/zinc/71/97/10/950719710.db2.gz WOAYMBRIADYXQA-MGPQQGTHSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574763668 950728060 /nfs/dbraw/zinc/72/80/60/950728060.db2.gz HSGIKHGETXKDPR-LBPRGKRZSA-N 0 1 383.460 1.208 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926985 950730392 /nfs/dbraw/zinc/73/03/92/950730392.db2.gz NBVACXYTDAASFY-GXFFZTMASA-N 0 1 380.412 1.264 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001575927032 950731019 /nfs/dbraw/zinc/73/10/19/950731019.db2.gz ZSZDBURNZWOCKP-SKDRFNHKSA-N 0 1 386.366 1.072 20 0 GDADMN CC1(C)CC(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575629371 950734711 /nfs/dbraw/zinc/73/47/11/950734711.db2.gz NJUWHYJJHLPVKX-CYBMUJFWSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576216606 950737642 /nfs/dbraw/zinc/73/76/42/950737642.db2.gz DYQAVWQXTNCENK-KOLCDFICSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576216606 950737653 /nfs/dbraw/zinc/73/76/53/950737653.db2.gz DYQAVWQXTNCENK-KOLCDFICSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575928087 950773861 /nfs/dbraw/zinc/77/38/61/950773861.db2.gz YLBFHFLXZIUZPC-MFKMUULPSA-N 0 1 380.412 1.264 20 0 GDADMN CC1(C)CC(CC(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)C1 ZINC001575631524 950774206 /nfs/dbraw/zinc/77/42/06/950774206.db2.gz NZXKGUFKOQNJGV-ZDUSSCGKSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573885037 950809182 /nfs/dbraw/zinc/80/91/82/950809182.db2.gz MZQDVGYZTKMCTE-XYPYZODXSA-N 0 1 381.444 1.077 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931935 950820013 /nfs/dbraw/zinc/82/00/13/950820013.db2.gz JMSHKVSBSHAEHW-XPUUQOCRSA-N 0 1 379.837 1.415 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576221341 950853506 /nfs/dbraw/zinc/85/35/06/950853506.db2.gz ZXWWEFXPXJADJS-ZWNOBZJWSA-N 0 1 379.415 1.624 20 0 GDADMN CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639554 950870449 /nfs/dbraw/zinc/87/04/49/950870449.db2.gz BXFQCEGMMZXZQJ-NSHDSACASA-N 0 1 383.416 1.070 20 0 GDADMN CC(C)n1cc(CN[C@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574527162 950879395 /nfs/dbraw/zinc/87/93/95/950879395.db2.gz AGLXWUGMVWCQOK-NEPJUHHUSA-N 0 1 386.464 1.054 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2ccn[nH]2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575640962 950907211 /nfs/dbraw/zinc/90/72/11/950907211.db2.gz MAPCWGKKVVSXHQ-GFCCVEGCSA-N 0 1 381.444 1.410 20 0 GDADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576227899 950926698 /nfs/dbraw/zinc/92/66/98/950926698.db2.gz FJLQGYZTIGXLRS-UKRRQHHQSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001575936905 950932409 /nfs/dbraw/zinc/93/24/09/950932409.db2.gz AOOFAPKXFMQVSR-RISCZKNCSA-N 0 1 380.412 1.450 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ncccc1[O-] ZINC001574528646 950935197 /nfs/dbraw/zinc/93/51/97/950935197.db2.gz NVAHAJZFQCNNOR-STQMWFEESA-N 0 1 381.440 1.654 20 0 GDADMN CC1(C)C[C@H]1C(=O)N(CCNc1ccnc(-c2nn[nH]n2)n1)Cc1ccccc1 ZINC001575643191 950967056 /nfs/dbraw/zinc/96/70/56/950967056.db2.gz ZNOKJSQCSQJKRM-HNNXBMFYSA-N 0 1 392.467 1.565 20 0 GDADMN C[C@H]1CN(C(=O)C2(C)CCCCCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576229540 950974016 /nfs/dbraw/zinc/97/40/16/950974016.db2.gz KEKCQMKJSXLOPZ-KBPBESRZSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ncccc1F ZINC001574773995 950997343 /nfs/dbraw/zinc/99/73/43/950997343.db2.gz ATNMOAALVFQKEW-LLVKDONJSA-N 0 1 387.394 1.790 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574773955 950998631 /nfs/dbraw/zinc/99/86/31/950998631.db2.gz AASDPRAUTQUIIZ-YJYMSZOUSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)CNc1ccncc1-c1nn[nH]n1 ZINC001575024614 951110066 /nfs/dbraw/zinc/11/00/66/951110066.db2.gz JGAMBPQQRUJVIE-ZDUSSCGKSA-N 0 1 392.467 1.154 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2cccnc2n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575025791 951132632 /nfs/dbraw/zinc/13/26/32/951132632.db2.gz AJXYFAKNXWMMNO-LBPRGKRZSA-N 0 1 389.423 1.460 20 0 GDADMN C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001575026915 951147243 /nfs/dbraw/zinc/14/72/43/951147243.db2.gz OCPKSVJCEQAFDB-SECBINFHSA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001575027698 951162274 /nfs/dbraw/zinc/16/22/74/951162274.db2.gz IDAMKLJKTJRNDS-SECBINFHSA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1CCCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575029407 951187710 /nfs/dbraw/zinc/18/77/10/951187710.db2.gz UXEXTENKYMNDPB-CYBMUJFWSA-N 0 1 392.467 1.578 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000389798135 951358156 /nfs/dbraw/zinc/35/81/56/951358156.db2.gz QRBPJZVSOOSEEC-RHSMWYFYSA-N 0 1 381.498 1.138 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043579 951400153 /nfs/dbraw/zinc/40/01/53/951400153.db2.gz KGRILHNTXLQGMZ-VIFPVBQESA-N 0 1 385.457 1.245 20 0 GDADMN C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043988 951408594 /nfs/dbraw/zinc/40/85/94/951408594.db2.gz NLGLVIBMQZZPTA-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575043988 951408601 /nfs/dbraw/zinc/40/86/01/951408601.db2.gz NLGLVIBMQZZPTA-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1cnccn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575046452 951442274 /nfs/dbraw/zinc/44/22/74/951442274.db2.gz OJWGAHDAZUNCHX-ZETCQYMHSA-N 0 1 379.837 1.245 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575051975 951457573 /nfs/dbraw/zinc/45/75/73/951457573.db2.gz CLNJDIRQBDUXAF-NSHDSACASA-N 0 1 388.501 1.788 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575051975 951457579 /nfs/dbraw/zinc/45/75/79/951457579.db2.gz CLNJDIRQBDUXAF-NSHDSACASA-N 0 1 388.501 1.788 20 0 GDADMN C[C@@H](CNC(=O)c1cncs1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575052335 951462432 /nfs/dbraw/zinc/46/24/32/951462432.db2.gz GQZUZANBVNLBNO-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575067857 951624138 /nfs/dbraw/zinc/62/41/38/951624138.db2.gz PSTKPQROWIZOLA-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067954 951627982 /nfs/dbraw/zinc/62/79/82/951627982.db2.gz SVINCKVZPBVSFT-JTQLQIEISA-N 0 1 389.489 1.183 20 0 GDADMN C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067954 951627984 /nfs/dbraw/zinc/62/79/84/951627984.db2.gz SVINCKVZPBVSFT-JTQLQIEISA-N 0 1 389.489 1.183 20 0 GDADMN C[C@H](CNC(=O)c1ocnc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575068573 951636028 /nfs/dbraw/zinc/63/60/28/951636028.db2.gz BEADFBSZIPXKHN-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@@H](CNC(=O)c1scnc1Cl)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575071256 951657248 /nfs/dbraw/zinc/65/72/48/951657248.db2.gz ZBIBNIGZAZFEPU-ZETCQYMHSA-N 0 1 383.890 1.946 20 0 GDADMN C[C@@H](CNC(=O)c1scnc1Cl)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575071256 951657253 /nfs/dbraw/zinc/65/72/53/951657253.db2.gz ZBIBNIGZAZFEPU-ZETCQYMHSA-N 0 1 383.890 1.946 20 0 GDADMN O=C([O-])CN1CCC([NH2+][C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001595079926 951672739 /nfs/dbraw/zinc/67/27/39/951672739.db2.gz YPCOTSFMNBADHZ-GOSISDBHSA-N 0 1 375.469 1.926 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cc(F)c[nH]1 ZINC001575089136 951745892 /nfs/dbraw/zinc/74/58/92/951745892.db2.gz DVKUJQXYGULYFE-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1csnn1 ZINC001575089913 951755715 /nfs/dbraw/zinc/75/57/15/951755715.db2.gz ISZAPGXDWHCHQG-SECBINFHSA-N 0 1 376.421 1.108 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575090139 951757601 /nfs/dbraw/zinc/75/76/01/951757601.db2.gz JQWAHZBMLJBPDQ-DYVFJYSZSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575090139 951757612 /nfs/dbraw/zinc/75/76/12/951757612.db2.gz JQWAHZBMLJBPDQ-DYVFJYSZSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CCOCC1 ZINC001575091781 951783358 /nfs/dbraw/zinc/78/33/58/951783358.db2.gz YAJUGKJIURAPLD-GFCCVEGCSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cccnc1 ZINC001575099908 951841142 /nfs/dbraw/zinc/84/11/42/951841142.db2.gz QCSTWXWNFLUHTO-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cccnc1 ZINC001575099908 951841152 /nfs/dbraw/zinc/84/11/52/951841152.db2.gz QCSTWXWNFLUHTO-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100941 951848895 /nfs/dbraw/zinc/84/88/95/951848895.db2.gz XGEABGLHQQKEOD-PIGZYNQJSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](CNC(=O)C[C@@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100941 951848904 /nfs/dbraw/zinc/84/89/04/951848904.db2.gz XGEABGLHQQKEOD-PIGZYNQJSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)n1cc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001575102421 951868142 /nfs/dbraw/zinc/86/81/42/951868142.db2.gz MXYOEUHLRSCAEL-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1cc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001575102421 951868150 /nfs/dbraw/zinc/86/81/50/951868150.db2.gz MXYOEUHLRSCAEL-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@H](CNCc1nnc(C2CC2)s1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575116749 951973727 /nfs/dbraw/zinc/97/37/27/951973727.db2.gz HNDNNDDOCJBWLF-SECBINFHSA-N 0 1 387.473 1.079 20 0 GDADMN C[C@@H](CNCc1noc2c1CCCC2)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575117380 951978667 /nfs/dbraw/zinc/97/86/67/951978667.db2.gz NAWUABUMBRVUGI-NSHDSACASA-N 0 1 384.444 1.217 20 0 GDADMN O=C([O-])c1ccnc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000382152842 971801126 /nfs/dbraw/zinc/80/11/26/971801126.db2.gz JNKHYAPZGOKBNV-OAHLLOKOSA-N 0 1 375.450 1.580 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575144024 952161702 /nfs/dbraw/zinc/16/17/02/952161702.db2.gz FQJHWVLXBMGPJA-GOSISDBHSA-N 0 1 382.428 1.001 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1scnc1C1CC1 ZINC001575145610 952187223 /nfs/dbraw/zinc/18/72/23/952187223.db2.gz BBCCTEMSJKGKQW-SNVBAGLBSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575145843 952188771 /nfs/dbraw/zinc/18/87/71/952188771.db2.gz DKEYIXSXMXNARF-NSHDSACASA-N 0 1 384.444 1.542 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575147857 952200836 /nfs/dbraw/zinc/20/08/36/952200836.db2.gz WQKCAQWGFBSNDK-AWEZNQCLSA-N 0 1 391.479 1.674 20 0 GDADMN C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575153050 952205572 /nfs/dbraw/zinc/20/55/72/952205572.db2.gz CHLKJKPSUJBNMS-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575153050 952205576 /nfs/dbraw/zinc/20/55/76/952205576.db2.gz CHLKJKPSUJBNMS-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1cccc(F)c1I)C2 ZINC001595192074 952286664 /nfs/dbraw/zinc/28/66/64/952286664.db2.gz DIOFBAGRDHOLPA-HZMBPMFUSA-N 0 1 391.180 1.963 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnn(C)c1 ZINC001575165113 952305217 /nfs/dbraw/zinc/30/52/17/952305217.db2.gz LHQFNTODNOZJNN-ZETCQYMHSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccnnc1 ZINC001575166768 952327399 /nfs/dbraw/zinc/32/73/99/952327399.db2.gz YWGPGMPKSXRBQK-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001575188572 952448762 /nfs/dbraw/zinc/44/87/62/952448762.db2.gz JNKMOWUHUOHZIC-VXGBXAGGSA-N 0 1 384.419 1.013 20 0 GDADMN O=C(NCc1cccc2c1OC(F)(F)O2)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001571115583 952469215 /nfs/dbraw/zinc/46/92/15/952469215.db2.gz YKKYWKNQOUHOBI-UHFFFAOYSA-N 0 1 375.291 1.824 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575195862 952473052 /nfs/dbraw/zinc/47/30/52/952473052.db2.gz CGKKJDFQUDIVJQ-KZULUSFZSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@H]1CN(C(=O)c2cscn2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571117718 952484164 /nfs/dbraw/zinc/48/41/64/952484164.db2.gz OSTNIJMVCIFLFP-ONGXEEELSA-N 0 1 375.483 1.635 20 0 GDADMN C[C@H]1CN(C(=O)c2cscn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571117718 952484168 /nfs/dbraw/zinc/48/41/68/952484168.db2.gz OSTNIJMVCIFLFP-ONGXEEELSA-N 0 1 375.483 1.635 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001575197769 952487199 /nfs/dbraw/zinc/48/71/99/952487199.db2.gz ZOOZDPIBQUGQJB-CYBMUJFWSA-N 0 1 381.440 1.819 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120655 952507027 /nfs/dbraw/zinc/50/70/27/952507027.db2.gz OWXSTORCZCCGAZ-GZMMTYOYSA-N 0 1 376.421 1.183 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120655 952507035 /nfs/dbraw/zinc/50/70/35/952507035.db2.gz OWXSTORCZCCGAZ-GZMMTYOYSA-N 0 1 376.421 1.183 20 0 GDADMN C=Cc1ccc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001571120909 952511141 /nfs/dbraw/zinc/51/11/41/952511141.db2.gz TYMRBFUVSNPDHV-UHFFFAOYSA-N 0 1 376.424 1.438 20 0 GDADMN COCC(=O)N1CCC[C@H](CN(C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571121867 952522122 /nfs/dbraw/zinc/52/21/22/952522122.db2.gz CZNUUZWXMZNLOJ-CYBMUJFWSA-N 0 1 376.436 1.323 20 0 GDADMN O=C(C[C@@H]1CCCCO1)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571124142 952534648 /nfs/dbraw/zinc/53/46/48/952534648.db2.gz ZKVYKTFHNYMMRM-STQMWFEESA-N 0 1 376.486 1.578 20 0 GDADMN C[C@H](Cn1cncn1)NS(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001575207936 952537529 /nfs/dbraw/zinc/53/75/29/952537529.db2.gz WPKJWGSGUZPMPQ-SECBINFHSA-N 0 1 390.454 1.040 20 0 GDADMN CS(=O)(=O)CCOc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)o2)cc1 ZINC001571124978 952546153 /nfs/dbraw/zinc/54/61/53/952546153.db2.gz XFBILUBENKXXAX-UHFFFAOYSA-N 0 1 377.382 1.135 20 0 GDADMN Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1C ZINC001571134131 952585923 /nfs/dbraw/zinc/58/59/23/952585923.db2.gz FABARNCUZQQGCU-SJKOYZFVSA-N 0 1 378.440 1.268 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC001571134130 952586221 /nfs/dbraw/zinc/58/62/21/952586221.db2.gz ANHWNGLJTMIZJR-HNNXBMFYSA-N 0 1 378.440 1.251 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571134793 952595336 /nfs/dbraw/zinc/59/53/36/952595336.db2.gz LOQUJOWVEMYCMM-HIFRSBDPSA-N 0 1 378.440 1.545 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)Cc3cnccc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135253 952601249 /nfs/dbraw/zinc/60/12/49/952601249.db2.gz RVAANDZPQVAIOZ-OAHLLOKOSA-N 0 1 378.440 1.211 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571135345 952602943 /nfs/dbraw/zinc/60/29/43/952602943.db2.gz UKZXZKCZBSLDOF-ZFWWWQNUSA-N 0 1 378.440 1.285 20 0 GDADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001571135564 952605546 /nfs/dbraw/zinc/60/55/46/952605546.db2.gz XAGGLSRHWKCBLP-DZGCQCFKSA-N 0 1 378.440 1.431 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571140531 952626916 /nfs/dbraw/zinc/62/69/16/952626916.db2.gz CDKWZSJDLXVAJW-GFCCVEGCSA-N 0 1 378.502 1.370 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571140531 952626919 /nfs/dbraw/zinc/62/69/19/952626919.db2.gz CDKWZSJDLXVAJW-GFCCVEGCSA-N 0 1 378.502 1.370 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571140531 952626923 /nfs/dbraw/zinc/62/69/23/952626923.db2.gz CDKWZSJDLXVAJW-GFCCVEGCSA-N 0 1 378.502 1.370 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001571140531 952626927 /nfs/dbraw/zinc/62/69/27/952626927.db2.gz CDKWZSJDLXVAJW-GFCCVEGCSA-N 0 1 378.502 1.370 20 0 GDADMN C[C@@H]1CN(C(=O)c2occ3c2CCC3)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571142445 952641979 /nfs/dbraw/zinc/64/19/79/952641979.db2.gz WEGJSBBCDBAOIZ-BDJLRTHQSA-N 0 1 379.424 1.338 20 0 GDADMN O=C(c1ccn[nH]1)N1CCC[C@]2(CCN(c3ccc(-c4nn[nH]n4)nc3)C2)C1 ZINC001571147292 952660017 /nfs/dbraw/zinc/66/00/17/952660017.db2.gz WQZHZFVISWDAPF-GOSISDBHSA-N 0 1 379.428 1.118 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571155033 952691681 /nfs/dbraw/zinc/69/16/81/952691681.db2.gz FJWRCWRDYJKSJX-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571158325 952711066 /nfs/dbraw/zinc/71/10/66/952711066.db2.gz HGIDLKFBIZFIKW-XBFCOCLRSA-N 0 1 380.412 1.406 20 0 GDADMN O=C(NC1(C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1)c1ccoc1 ZINC001571161440 952732610 /nfs/dbraw/zinc/73/26/10/952732610.db2.gz VRACHLPDTLVDRM-UHFFFAOYSA-N 0 1 380.412 1.429 20 0 GDADMN C[C@H]1CN(C(=O)c2ccn(C)c2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571167123 952770724 /nfs/dbraw/zinc/77/07/24/952770724.db2.gz WBWJLSPBKXMRJC-KBPBESRZSA-N 0 1 380.456 1.232 20 0 GDADMN Cc1cnn(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571169464 952773682 /nfs/dbraw/zinc/77/36/82/952773682.db2.gz DFEVJPOTYYGKCM-MRXNPFEDSA-N 0 1 380.456 1.105 20 0 GDADMN Cc1ccnn1CC(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571169671 952777001 /nfs/dbraw/zinc/77/70/01/952777001.db2.gz KIJZJBLWTGUOMH-MRXNPFEDSA-N 0 1 380.456 1.152 20 0 GDADMN Cc1[nH]nc(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1C ZINC001571169719 952777288 /nfs/dbraw/zinc/77/72/88/952777288.db2.gz LEKOPOQSCYNLKO-MRXNPFEDSA-N 0 1 380.456 1.601 20 0 GDADMN Cc1cc(NC[C@@]2(C)CCN(C(=O)c3ccn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571170078 952782856 /nfs/dbraw/zinc/78/28/56/952782856.db2.gz SDBUKDCMRFFCBH-LJQANCHMSA-N 0 1 380.456 1.295 20 0 GDADMN O=C(c1ccon1)N1CCC(Nc2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571172095 952801633 /nfs/dbraw/zinc/80/16/33/952801633.db2.gz MCDYHVRSQLSQSN-UHFFFAOYSA-N 0 1 380.821 1.681 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)[C@@H](F)c3ccccc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571178829 952847240 /nfs/dbraw/zinc/84/72/40/952847240.db2.gz VXDZLEKEHYVUAY-YOEHRIQHSA-N 0 1 381.415 1.716 20 0 GDADMN Cc1cc(NCC2CCN(C(=O)Cc3ccoc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571181756 952864180 /nfs/dbraw/zinc/86/41/80/952864180.db2.gz XXUKHMXHDJYJEL-UHFFFAOYSA-N 0 1 381.440 1.478 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC001571182649 952867131 /nfs/dbraw/zinc/86/71/31/952867131.db2.gz AISHNHJJXOQVOM-UKRRQHHQSA-N 0 1 381.440 1.558 20 0 GDADMN C[C@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)CCc2ccoc2)C1 ZINC001571183014 952872151 /nfs/dbraw/zinc/87/21/51/952872151.db2.gz LYZKTBAJLYIZAO-LJQANCHMSA-N 0 1 381.440 1.560 20 0 GDADMN O=C(N[C@H]1CCN([C@@H]2CCc3c2cccc3F)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571183055 952872791 /nfs/dbraw/zinc/87/27/91/952872791.db2.gz NARUDWOQNODPGF-APPDUMDISA-N 0 1 381.415 1.826 20 0 GDADMN CCc1cc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571183589 952879982 /nfs/dbraw/zinc/87/99/82/952879982.db2.gz FJQOWFXNQGKLPP-WCQYABFASA-N 0 1 381.444 1.367 20 0 GDADMN CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571183687 952881774 /nfs/dbraw/zinc/88/17/74/952881774.db2.gz HNEXJHLAUOVVHT-CYBMUJFWSA-N 0 1 381.444 1.178 20 0 GDADMN CCCc1cc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]n1 ZINC001571183734 952882054 /nfs/dbraw/zinc/88/20/54/952882054.db2.gz IIBDTNVAMOPCIR-ZDUSSCGKSA-N 0 1 381.444 1.254 20 0 GDADMN C[C@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC001571184050 952887443 /nfs/dbraw/zinc/88/74/43/952887443.db2.gz PDBLZOUPDKHVHU-SWLSCSKDSA-N 0 1 381.444 1.409 20 0 GDADMN CCc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[nH]n4)nc3)[C@@H](C)C2)n[nH]1 ZINC001571184321 952891802 /nfs/dbraw/zinc/89/18/02/952891802.db2.gz WDZDUIVJYWGYAE-FZMZJTMJSA-N 0 1 381.444 1.510 20 0 GDADMN CCCc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)[C@H]2C)n[nH]1 ZINC001571184437 952893986 /nfs/dbraw/zinc/89/39/86/952893986.db2.gz ZKODFGDGIIZYEQ-BXUZGUMPSA-N 0 1 381.444 1.652 20 0 GDADMN CCn1cc(C(=O)N2CCC[C@H]2CN(C)c2ccncc2-c2nn[nH]n2)cn1 ZINC001571185024 952900254 /nfs/dbraw/zinc/90/02/54/952900254.db2.gz GUXLKWUBLNNKRI-AWEZNQCLSA-N 0 1 381.444 1.219 20 0 GDADMN CCn1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)n1 ZINC001571185785 952904115 /nfs/dbraw/zinc/90/41/15/952904115.db2.gz PNLDZQJKXVMUAD-HUUCEWRRSA-N 0 1 381.444 1.053 20 0 GDADMN Cc1cnc(CN[C@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1 ZINC001571188149 952912114 /nfs/dbraw/zinc/91/21/14/952912114.db2.gz GUMZRMXOZHDNDX-KBPBESRZSA-N 0 1 381.444 1.124 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)Nc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571188893 952921580 /nfs/dbraw/zinc/92/15/80/952921580.db2.gz PBSGWJYGGSOKEP-OCCSQVGLSA-N 0 1 381.444 1.646 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571197373 952990167 /nfs/dbraw/zinc/99/01/67/952990167.db2.gz YGTRUJSHNILSRQ-BXUZGUMPSA-N 0 1 382.403 1.583 20 0 GDADMN CN(C)C(=O)[C@@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC001571199133 952996438 /nfs/dbraw/zinc/99/64/38/952996438.db2.gz MIMBZRKMSGUPFT-CQSZACIVSA-N 0 1 382.428 1.217 20 0 GDADMN CCc1cc(C(=O)N[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)CC2)no1 ZINC001571199437 952999769 /nfs/dbraw/zinc/99/97/69/952999769.db2.gz QUVCUCOYJZQXPI-LBPRGKRZSA-N 0 1 382.428 1.601 20 0 GDADMN O=C(N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1 ZINC001571199792 953005073 /nfs/dbraw/zinc/00/50/73/953005073.db2.gz CGANHVQVJLKNPU-GXTWGEPZSA-N 0 1 382.403 1.228 20 0 GDADMN O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001571200502 953010132 /nfs/dbraw/zinc/01/01/32/953010132.db2.gz JFQKDIWWAJQPHE-NEPJUHHUSA-N 0 1 382.403 1.228 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571202098 953023325 /nfs/dbraw/zinc/02/33/25/953023325.db2.gz QZDWQPFEGOMADI-CYBMUJFWSA-N 0 1 382.428 1.171 20 0 GDADMN Cc1noc(C)c1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571202306 953024083 /nfs/dbraw/zinc/02/40/83/953024083.db2.gz SWZRCYQLRMLPMC-CYBMUJFWSA-N 0 1 382.428 1.314 20 0 GDADMN C[C@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211525 953077257 /nfs/dbraw/zinc/07/72/57/953077257.db2.gz AMGYPOPIIPKAOH-QWHCGFSZSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H]1CC[C@@H](NC(=O)C(C2CC2)C2CC2)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571211736 953080729 /nfs/dbraw/zinc/08/07/29/953080729.db2.gz DPZUOJQLTISOGR-SMDDNHRTSA-N 0 1 382.472 1.566 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571214322 953101468 /nfs/dbraw/zinc/10/14/68/953101468.db2.gz XEYKZQIKYKKAHB-IHRRRGAJSA-N 0 1 382.472 1.424 20 0 GDADMN COc1nc(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571219378 953124743 /nfs/dbraw/zinc/12/47/43/953124743.db2.gz OAMWNRPYWAGZDE-CQSZACIVSA-N 0 1 383.412 1.258 20 0 GDADMN Cn1cccc1C(=O)N[C@@]1(C)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571229755 953171170 /nfs/dbraw/zinc/17/11/70/953171170.db2.gz MFGOOJRNHJSDRC-IBGZPJMESA-N 0 1 383.431 1.739 20 0 GDADMN Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCCO3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232942 953189967 /nfs/dbraw/zinc/18/99/67/953189967.db2.gz MORDCWHHDUOXGM-AXHNFQJDSA-N 0 1 383.456 1.224 20 0 GDADMN O=S(=O)(c1ccsc1-c1nn[nH]n1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001571234039 953198555 /nfs/dbraw/zinc/19/85/55/953198555.db2.gz LFWBKOUWWWWSQA-NWDGAFQWSA-N 0 1 383.499 1.490 20 0 GDADMN O=C([C@@H]1CCOC1)N1CCC[C@H]1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571235266 953210065 /nfs/dbraw/zinc/21/00/65/953210065.db2.gz YPFRYPNCBFXARN-BDAKNGLRSA-N 0 1 383.865 1.416 20 0 GDADMN O=C(CCc1cn[nH]c1)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571241540 953247299 /nfs/dbraw/zinc/24/72/99/953247299.db2.gz CKXPXGYAIASHDM-HNNXBMFYSA-N 0 1 384.419 1.052 20 0 GDADMN O=C(NC[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1ccn[nH]1 ZINC001571241884 953250189 /nfs/dbraw/zinc/25/01/89/953250189.db2.gz OKRSPZAFIBMTNN-GFCCVEGCSA-N 0 1 384.419 1.371 20 0 GDADMN CCc1nocc1CN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C ZINC001571242973 953262008 /nfs/dbraw/zinc/26/20/08/953262008.db2.gz SFQNJNLURRAUGZ-YPMHNXCESA-N 0 1 384.444 1.528 20 0 GDADMN CN(C(=O)c1ncccn1)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571244600 953265240 /nfs/dbraw/zinc/26/52/40/953265240.db2.gz BXRRKSYEPJKJIP-UHFFFAOYSA-N 0 1 384.469 1.455 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571244596 953265327 /nfs/dbraw/zinc/26/53/27/953265327.db2.gz BVKSPPBETXPMSS-QGZVFWFLSA-N 0 1 384.469 1.413 20 0 GDADMN CCCc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571244660 953266143 /nfs/dbraw/zinc/26/61/43/953266143.db2.gz DDVLOMJPUGZXTI-XYPYZODXSA-N 0 1 384.469 1.466 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@H]2C)cnn1 ZINC001571244748 953267055 /nfs/dbraw/zinc/26/70/55/953267055.db2.gz HJYQDECHIRAMHA-BXUZGUMPSA-N 0 1 384.469 1.419 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@H]2C)cnn1 ZINC001571244748 953267058 /nfs/dbraw/zinc/26/70/58/953267058.db2.gz HJYQDECHIRAMHA-BXUZGUMPSA-N 0 1 384.469 1.419 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)Cc2cccs2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571245202 953271404 /nfs/dbraw/zinc/27/14/04/953271404.db2.gz FGIDZMUMJVULPQ-VXGBXAGGSA-N 0 1 384.469 1.434 20 0 GDADMN CC(C)C1(O)CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC001571247746 953285580 /nfs/dbraw/zinc/28/55/80/953285580.db2.gz DGLNIWRTVCNHNE-KRWDZBQOSA-N 0 1 384.484 1.845 20 0 GDADMN Cc1ncc(CN[C@H](C)[C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248573 953295104 /nfs/dbraw/zinc/29/51/04/953295104.db2.gz GXICLPOETSNFQV-BDJLRTHQSA-N 0 1 384.444 1.664 20 0 GDADMN Cc1nocc1CN1CCC([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571248845 953297839 /nfs/dbraw/zinc/29/78/39/953297839.db2.gz KERWBVXINKRWIC-NSHDSACASA-N 0 1 384.444 1.522 20 0 GDADMN Cc1ncc(CN2CCCCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001571248972 953299570 /nfs/dbraw/zinc/29/95/70/953299570.db2.gz NDMICZMNDGHMDX-AWEZNQCLSA-N 0 1 384.444 1.666 20 0 GDADMN CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571249456 953305516 /nfs/dbraw/zinc/30/55/16/953305516.db2.gz JGLPLWYTFKIHRE-ZIAGYGMSSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249460 953305670 /nfs/dbraw/zinc/30/56/70/953305670.db2.gz JIIVSXWVBXYYKO-DZGCQCFKSA-N 0 1 384.488 1.958 20 0 GDADMN O=C([C@@H]1CCCOCC1)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571250829 953313756 /nfs/dbraw/zinc/31/37/56/953313756.db2.gz TVWWLVOJXWQLTO-MRXNPFEDSA-N 0 1 384.484 1.718 20 0 GDADMN C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571252335 953327240 /nfs/dbraw/zinc/32/72/40/953327240.db2.gz LJEWCTQNKHKSPO-KKUMJFAQSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571252335 953327244 /nfs/dbraw/zinc/32/72/44/953327244.db2.gz LJEWCTQNKHKSPO-KKUMJFAQSA-N 0 1 384.488 1.816 20 0 GDADMN Cc1nc(C(C)C)oc1CN[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 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/nfs/dbraw/zinc/95/74/00/602957400.db2.gz HNMFIBFTNZJWHN-KBAYOESNSA-N 0 1 375.469 1.785 20 0 GDADMN COc1ccccc1[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)[O-] ZINC000739956459 602960482 /nfs/dbraw/zinc/96/04/82/602960482.db2.gz DSYAJARQOFSYOA-YCPHGPKFSA-N 0 1 376.457 1.882 20 0 GDADMN O=C([O-])N1CCCC[C@@H](NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000740405894 602968840 /nfs/dbraw/zinc/96/88/40/602968840.db2.gz QBGWWXWCBLTQIC-QZTJIDSGSA-N 0 1 390.484 1.237 20 0 GDADMN O=C([O-])N1CCCC[C@@H](NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000740517546 602976749 /nfs/dbraw/zinc/97/67/49/602976749.db2.gz GSGASSKRPMRNJX-QZTJIDSGSA-N 0 1 390.484 1.580 20 0 GDADMN O=C([O-])N1CC[C@H](C[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000740501551 602981329 /nfs/dbraw/zinc/98/13/29/602981329.db2.gz VXRZFDSEZWWDNN-RTBURBONSA-N 0 1 387.528 1.916 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1=O ZINC000739456851 603014837 /nfs/dbraw/zinc/01/48/37/603014837.db2.gz TZOHLBITHWJOQA-UCHQMPSGSA-N 0 1 392.500 1.109 20 0 GDADMN O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000740575905 603021373 /nfs/dbraw/zinc/02/13/73/603021373.db2.gz YCHAYTIYDXXWCK-SJORKVTESA-N 0 1 378.448 1.500 20 0 GDADMN C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000738910289 603025623 /nfs/dbraw/zinc/02/56/23/603025623.db2.gz HWMXXFSQBWUOHB-JKSUJKDBSA-N 0 1 390.488 1.034 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000738914029 603053768 /nfs/dbraw/zinc/05/37/68/603053768.db2.gz ZFVBMGNMSLBCML-OAGGEKHMSA-N 0 1 375.473 1.145 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCC(NC(=O)[O-])CC2)CC1=O ZINC000739456217 603063786 /nfs/dbraw/zinc/06/37/86/603063786.db2.gz RFWJFRYZPDMRNE-LBDPXKHJSA-N 0 1 380.489 1.014 20 0 GDADMN C[C@@H](CNC(=O)N[C@@H](CNC(=O)[O-])C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000738914289 603078271 /nfs/dbraw/zinc/07/82/71/603078271.db2.gz BSJMHXQQNGFXKG-YJBOKZPZSA-N 0 1 389.500 1.543 20 0 GDADMN COc1ccc(-c2n[nH]cc2C(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)cc1 ZINC000739878994 603089258 /nfs/dbraw/zinc/08/92/58/603089258.db2.gz JQSSCRCPYLRPDS-UHFFFAOYSA-N 0 1 387.440 1.501 20 0 GDADMN O=C([O-])NC1CCC(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000740555479 603094577 /nfs/dbraw/zinc/09/45/77/603094577.db2.gz MFTMLNDBYJFUIU-UHFFFAOYSA-N 0 1 390.484 1.897 20 0 GDADMN CC[NH+]1CCN(CCCCNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])CC1 ZINC000739460593 603118268 /nfs/dbraw/zinc/11/82/68/603118268.db2.gz PKZWMJROJGFWDP-LJQANCHMSA-N 0 1 388.512 1.625 20 0 GDADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)cn1 ZINC000739378063 603125492 /nfs/dbraw/zinc/12/54/92/603125492.db2.gz LXFNJHCULWFFMP-INIZCTEOSA-N 0 1 378.477 1.263 20 0 GDADMN CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)cn1 ZINC000739378063 603125494 /nfs/dbraw/zinc/12/54/94/603125494.db2.gz LXFNJHCULWFFMP-INIZCTEOSA-N 0 1 378.477 1.263 20 0 GDADMN Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740030502 603215173 /nfs/dbraw/zinc/21/51/73/603215173.db2.gz ALPRTDYEIIEGGR-IUODEOHRSA-N 0 1 378.477 1.314 20 0 GDADMN C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825000192 607614801 /nfs/dbraw/zinc/61/48/01/607614801.db2.gz NUCSTLMIKRWART-QWRGUYRKSA-N 0 1 382.877 1.377 20 0 GDADMN C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825000192 607614802 /nfs/dbraw/zinc/61/48/02/607614802.db2.gz NUCSTLMIKRWART-QWRGUYRKSA-N 0 1 382.877 1.377 20 0 GDADMN CN(C(=O)c1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000739731588 603222172 /nfs/dbraw/zinc/22/21/72/603222172.db2.gz WRIXEYLUJNFQBT-WBVHZDCISA-N 0 1 388.468 1.791 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCCN(C(=O)[O-])C3)C2)nc(C)[nH+]1 ZINC000738408890 603260349 /nfs/dbraw/zinc/26/03/49/603260349.db2.gz PMPVJJJEUQKHSI-LSDHHAIUSA-N 0 1 376.461 1.504 20 0 GDADMN O=C([O-])N[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000740530914 603266307 /nfs/dbraw/zinc/26/63/07/603266307.db2.gz ZZIDKRKDEHFIBD-JKSUJKDBSA-N 0 1 381.860 1.972 20 0 GDADMN O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000740473232 603310817 /nfs/dbraw/zinc/31/08/17/603310817.db2.gz UXWYFRBXTZDMJC-CABCVRRESA-N 0 1 386.452 1.404 20 0 GDADMN CCOC(=O)c1ccc(N2CCC[N@@H+](C[C@H]3CCN(C(=O)[O-])C3)CC2)nc1 ZINC000739481312 603329670 /nfs/dbraw/zinc/32/96/70/603329670.db2.gz SCCDVYOVMSDFKC-OAHLLOKOSA-N 0 1 376.457 1.770 20 0 GDADMN COc1cccc(C(=O)N2CC[NH+](C[C@H]3CCN(C(=O)[O-])C3)CC2)c1OC ZINC000739941885 603331001 /nfs/dbraw/zinc/33/10/01/603331001.db2.gz HOZYJOQSJXXPNK-CQSZACIVSA-N 0 1 377.441 1.462 20 0 GDADMN CN(Cc1cccc(NC(=O)NCCCCN2CC[NH+](C)CC2)c1)C(=O)[O-] ZINC000739738166 603366944 /nfs/dbraw/zinc/36/69/44/603366944.db2.gz SHMHUANTKYCZTO-UHFFFAOYSA-N 0 1 377.489 1.946 20 0 GDADMN COc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1NC(=O)[O-] ZINC000739864005 603386329 /nfs/dbraw/zinc/38/63/29/603386329.db2.gz CWBVFMZYRDMRTL-QWHCGFSZSA-N 0 1 392.456 1.960 20 0 GDADMN C[C@H](CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000738919522 603392573 /nfs/dbraw/zinc/39/25/73/603392573.db2.gz YEBTUFWJLJTTHE-CRAIPNDOSA-N 0 1 375.469 1.708 20 0 GDADMN C[N@H+]1CCCN(c2ccc(NC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])cc2)CC1 ZINC000739732451 603397862 /nfs/dbraw/zinc/39/78/62/603397862.db2.gz VODQVHNPJNLGGT-SFHVURJKSA-N 0 1 390.484 1.926 20 0 GDADMN CCn1cnnc1[C@H]1CCC[N@@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000827711261 603403059 /nfs/dbraw/zinc/40/30/59/603403059.db2.gz NZJBHIWDLAFCEX-BZSNNMDCSA-N 0 1 387.484 1.717 20 0 GDADMN C[C@H]1C[N@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC[C@H]1NC(=O)[O-] ZINC000739170800 603411919 /nfs/dbraw/zinc/41/19/19/603411919.db2.gz HOZOAVVKXVGXCE-WMLDXEAASA-N 0 1 388.468 1.408 20 0 GDADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC[C@H]1NC(=O)[O-] ZINC000739170800 603411921 /nfs/dbraw/zinc/41/19/21/603411921.db2.gz HOZOAVVKXVGXCE-WMLDXEAASA-N 0 1 388.468 1.408 20 0 GDADMN COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000829224939 603487065 /nfs/dbraw/zinc/48/70/65/603487065.db2.gz MKEPMSWWDNYNOI-OAHLLOKOSA-N 0 1 377.441 1.273 20 0 GDADMN COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[O-])C1)CC2 ZINC000829224939 603487067 /nfs/dbraw/zinc/48/70/67/603487067.db2.gz MKEPMSWWDNYNOI-OAHLLOKOSA-N 0 1 377.441 1.273 20 0 GDADMN CCN(CC1CC[NH+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1)C(=O)[O-] ZINC000827092721 603507092 /nfs/dbraw/zinc/50/70/92/603507092.db2.gz HXYHPWWDHKYBND-QGZVFWFLSA-N 0 1 384.498 1.835 20 0 GDADMN COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)cc1OC ZINC000829093017 603532550 /nfs/dbraw/zinc/53/25/50/603532550.db2.gz AVEKMOQLYYECNC-KBPBESRZSA-N 0 1 379.457 1.874 20 0 GDADMN COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)cc1OC ZINC000829093017 603532554 /nfs/dbraw/zinc/53/25/54/603532554.db2.gz AVEKMOQLYYECNC-KBPBESRZSA-N 0 1 379.457 1.874 20 0 GDADMN CCN(CC1CC[NH+](CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1)C(=O)[O-] ZINC000827093050 603543416 /nfs/dbraw/zinc/54/34/16/603543416.db2.gz LLDIBACNRFTGPN-GOSISDBHSA-N 0 1 390.484 1.302 20 0 GDADMN CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000824238700 603570740 /nfs/dbraw/zinc/57/07/40/603570740.db2.gz KEAZYZWQJLFEHK-INIZCTEOSA-N 0 1 382.505 1.119 20 0 GDADMN CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000824238700 603570743 /nfs/dbraw/zinc/57/07/43/603570743.db2.gz KEAZYZWQJLFEHK-INIZCTEOSA-N 0 1 382.505 1.119 20 0 GDADMN O=C([O-])N1CC(CC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000831838454 603573773 /nfs/dbraw/zinc/57/37/73/603573773.db2.gz SPFAIUVQKBPQLB-UHFFFAOYSA-N 0 1 376.457 1.132 20 0 GDADMN CN(C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1)C(=O)[O-] ZINC000828223429 603577276 /nfs/dbraw/zinc/57/72/76/603577276.db2.gz LRLZWBZGFNKQQM-INIZCTEOSA-N 0 1 380.514 1.467 20 0 GDADMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000826736146 603586313 /nfs/dbraw/zinc/58/63/13/603586313.db2.gz SFBZUSONMCNETE-CABCVRRESA-N 0 1 380.489 1.173 20 0 GDADMN CN(C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827806037 603587444 /nfs/dbraw/zinc/58/74/44/603587444.db2.gz GVWADVIWOSKKRE-QGZVFWFLSA-N 0 1 376.457 1.777 20 0 GDADMN Cc1[nH]c(=O)ccc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826327721 607638829 /nfs/dbraw/zinc/63/88/29/607638829.db2.gz RTKDBGLCBXKDJE-UHFFFAOYSA-N 0 1 393.451 1.624 20 0 GDADMN C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)N1C(=O)[O-] ZINC000825982592 603614932 /nfs/dbraw/zinc/61/49/32/603614932.db2.gz BDEHRVZNQWDEME-SOLBZPMBSA-N 0 1 375.469 1.877 20 0 GDADMN C[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)N1C(=O)[O-] ZINC000825982592 603614935 /nfs/dbraw/zinc/61/49/35/603614935.db2.gz BDEHRVZNQWDEME-SOLBZPMBSA-N 0 1 375.469 1.877 20 0 GDADMN O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000826495180 607640807 /nfs/dbraw/zinc/64/08/07/607640807.db2.gz GERJGRDQLFFGPO-LBPRGKRZSA-N 0 1 380.449 1.112 20 0 GDADMN CN1C(=O)c2ccc(NC(=O)C[N@H+](C)CC(C)(C)CNC(=O)[O-])cc2C1=O ZINC000828115716 603625999 /nfs/dbraw/zinc/62/59/99/603625999.db2.gz YKYZTDWGJXLVBQ-UHFFFAOYSA-N 0 1 376.413 1.077 20 0 GDADMN CN1C(=O)c2ccc(NC(=O)C[N@@H+](C)CC(C)(C)CNC(=O)[O-])cc2C1=O ZINC000828115716 603626001 /nfs/dbraw/zinc/62/60/01/603626001.db2.gz YKYZTDWGJXLVBQ-UHFFFAOYSA-N 0 1 376.413 1.077 20 0 GDADMN CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)n1C ZINC000828081154 603654948 /nfs/dbraw/zinc/65/49/48/603654948.db2.gz NOSXSIBUNNNHSC-HIFRSBDPSA-N 0 1 378.477 1.550 20 0 GDADMN CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(C)C2CCC(NC(=O)[O-])CC2)CC1 ZINC000827222364 603664492 /nfs/dbraw/zinc/66/44/92/603664492.db2.gz IVANPMFIXDFQHG-GTPINHCMSA-N 0 1 383.537 1.480 20 0 GDADMN Cc1cc(N2CCC(NC(=O)N[C@H](CNC(=O)[O-])C3CC3)CC2)nc(C)[nH+]1 ZINC000830078744 603665318 /nfs/dbraw/zinc/66/53/18/603665318.db2.gz ODNONXXHMYSJSK-OAHLLOKOSA-N 0 1 376.461 1.408 20 0 GDADMN CCN(Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)[O-] ZINC000827177337 603694748 /nfs/dbraw/zinc/69/47/48/603694748.db2.gz YMHIALBOKKZWOO-IAGOWNOFSA-N 0 1 388.468 1.868 20 0 GDADMN COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)C2=O)c1 ZINC000829211902 603709224 /nfs/dbraw/zinc/70/92/24/603709224.db2.gz YYCVFEMIPDLYFK-VUCTXSBTSA-N 0 1 377.441 1.787 20 0 GDADMN COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)C2=O)c1 ZINC000829211902 603709227 /nfs/dbraw/zinc/70/92/27/603709227.db2.gz YYCVFEMIPDLYFK-VUCTXSBTSA-N 0 1 377.441 1.787 20 0 GDADMN COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H](NC(=O)[O-])[C@H](C)C3)C2=O)c1 ZINC000829211901 603710031 /nfs/dbraw/zinc/71/00/31/603710031.db2.gz YYCVFEMIPDLYFK-JLZZUVOBSA-N 0 1 377.441 1.787 20 0 GDADMN COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H](NC(=O)[O-])[C@H](C)C3)C2=O)c1 ZINC000829211901 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CC1CCC2(CC1)OC[C@@H](CNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)O2 ZINC000833610338 605214612 /nfs/dbraw/zinc/21/46/12/605214612.db2.gz KUVOYMPPLVAPNQ-YJTLQXIOSA-N 0 1 383.489 1.499 20 0 GDADMN CC(C)CSCCC[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824274085 607742452 /nfs/dbraw/zinc/74/24/52/607742452.db2.gz DUIMWSFHNVFNDB-CQSZACIVSA-N 0 1 376.534 1.947 20 0 GDADMN CC(C)CSCCC[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824274085 607742453 /nfs/dbraw/zinc/74/24/53/607742453.db2.gz DUIMWSFHNVFNDB-CQSZACIVSA-N 0 1 376.534 1.947 20 0 GDADMN CC(C)CSCCC[N@@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824274085 607742454 /nfs/dbraw/zinc/74/24/54/607742454.db2.gz DUIMWSFHNVFNDB-CQSZACIVSA-N 0 1 376.534 1.947 20 0 GDADMN CC(C)CSCCC[N@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824274085 607742455 /nfs/dbraw/zinc/74/24/55/607742455.db2.gz DUIMWSFHNVFNDB-CQSZACIVSA-N 0 1 376.534 1.947 20 0 GDADMN CC(C)=CC(=O)NCc1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833463793 605252965 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RKIWGOZZYVCIAF-UHFFFAOYSA-N 0 1 382.411 1.718 20 0 GDADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](CN3C(=O)NC(C4CC4)(C4CC4)C3=O)C[C@H]21 ZINC000834180344 605323076 /nfs/dbraw/zinc/32/30/76/605323076.db2.gz KBWTXVCPAOCGQG-KCPJHIHWSA-N 0 1 376.457 1.423 20 0 GDADMN O=C([O-])N[C@@H]1CCc2ncc(NC(=O)CCCC[NH+]3CCOCC3)cc2C1 ZINC000834193995 605330761 /nfs/dbraw/zinc/33/07/61/605330761.db2.gz WJXBUNXMOLNFAZ-OAHLLOKOSA-N 0 1 376.457 1.648 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CN3C[C@H](C(=O)[O-])CC3=O)C[C@H]21 ZINC000833438349 605348775 /nfs/dbraw/zinc/34/87/75/605348775.db2.gz HYCRQSHHMPMTQH-KBUPBQIOSA-N 0 1 381.473 1.502 20 0 GDADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CN2CCSC2=S)C1 ZINC000834028901 605410305 /nfs/dbraw/zinc/41/03/05/605410305.db2.gz SRNDCGFOHBKIPH-STQMWFEESA-N 0 1 386.543 1.248 20 0 GDADMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CN2CCSC2=S)C1 ZINC000834028901 605410306 /nfs/dbraw/zinc/41/03/06/605410306.db2.gz SRNDCGFOHBKIPH-STQMWFEESA-N 0 1 386.543 1.248 20 0 GDADMN O=C([O-])N1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000834043810 605412811 /nfs/dbraw/zinc/41/28/11/605412811.db2.gz CMHUGRISLMECEP-PBHICJAKSA-N 0 1 376.457 1.052 20 0 GDADMN O=C([O-])N1CC[NH+](CCCNC(=O)N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000834113487 605497802 /nfs/dbraw/zinc/49/78/02/605497802.db2.gz XPAGQSRJRPXJFO-UHFFFAOYSA-N 0 1 385.468 1.921 20 0 GDADMN O=C([O-])N1CC2(C1)CC(=O)N(C[NH+]1CCC(OCc3ccccc3F)CC1)C2 ZINC000834070712 605503701 /nfs/dbraw/zinc/50/37/01/605503701.db2.gz HRCIIQLBCQCGJX-UHFFFAOYSA-N 0 1 391.443 1.977 20 0 GDADMN CCC(CC)[C@H](CNC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C)[NH+]1CCOCC1 ZINC000826566413 605505439 /nfs/dbraw/zinc/50/54/39/605505439.db2.gz IHDMWOUJSHSCEM-PVAVHDDUSA-N 0 1 384.521 1.954 20 0 GDADMN CN(CCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C(=O)[O-] ZINC000828293587 605566833 /nfs/dbraw/zinc/56/68/33/605566833.db2.gz PEHJSXQUXQTOPK-IAGOWNOFSA-N 0 1 378.473 1.169 20 0 GDADMN CC1CC[NH+](C2CCC(NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)CC1 ZINC000824954005 607764140 /nfs/dbraw/zinc/76/41/40/607764140.db2.gz IQCIPHGVDQDEND-UHFFFAOYSA-N 0 1 387.492 1.765 20 0 GDADMN CC1CC[NH+](C2CCC(NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)CC1 ZINC000824954005 607764141 /nfs/dbraw/zinc/76/41/41/607764141.db2.gz IQCIPHGVDQDEND-UHFFFAOYSA-N 0 1 387.492 1.765 20 0 GDADMN O=C([O-])N1CCC[C@H]1C[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000834006573 605594436 /nfs/dbraw/zinc/59/44/36/605594436.db2.gz WQFRXBGGCUYNSV-SFHVURJKSA-N 0 1 386.496 1.726 20 0 GDADMN CCN(CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)C(=O)[O-] ZINC000827141547 605611499 /nfs/dbraw/zinc/61/14/99/605611499.db2.gz NZSWDRGMTZWCSH-DLBZAZTESA-N 0 1 378.473 1.169 20 0 GDADMN O=C([O-])N1CCSC[C@@H]1CC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000833989258 605620211 /nfs/dbraw/zinc/62/02/11/605620211.db2.gz UJIMUQGGEFYWDN-IRXDYDNUSA-N 0 1 393.509 1.007 20 0 GDADMN CC(C)[C@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)NC(=O)[O-] ZINC000824116529 605625002 /nfs/dbraw/zinc/62/50/02/605625002.db2.gz LKJFBGGRMMKOJN-OKZBNKHCSA-N 0 1 392.500 1.461 20 0 GDADMN CCOC(=O)c1cnc(C)c(NC(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)c1 ZINC000833860855 605627132 /nfs/dbraw/zinc/62/71/32/605627132.db2.gz HEAVHJXCVDXOJE-UHFFFAOYSA-N 0 1 393.444 1.374 20 0 GDADMN C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833792133 605650962 /nfs/dbraw/zinc/65/09/62/605650962.db2.gz ZWUKCPPUQKLBAB-NSHDSACASA-N 0 1 382.486 1.886 20 0 GDADMN O=C([O-])NC1CC[NH+](CC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000832382303 605666768 /nfs/dbraw/zinc/66/67/68/605666768.db2.gz TXEDWENQFOXSRW-QGZVFWFLSA-N 0 1 388.468 1.198 20 0 GDADMN COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Br)[C@@H](C(=O)[O-])C1 ZINC000833707252 605682979 /nfs/dbraw/zinc/68/29/79/605682979.db2.gz KTKWMIAEWAMLOF-LERXQTSPSA-N 0 1 386.242 1.821 20 0 GDADMN COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000833710695 605683907 /nfs/dbraw/zinc/68/39/07/605683907.db2.gz XNPWTLXFDIODEM-YPMHNXCESA-N 0 1 378.381 1.082 20 0 GDADMN O=C([O-])NC1(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CCC1 ZINC000834156019 605692256 /nfs/dbraw/zinc/69/22/56/605692256.db2.gz UDLPFHGNNHOGET-IRXDYDNUSA-N 0 1 375.469 1.566 20 0 GDADMN O=C([O-])NC1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000834170753 605692642 /nfs/dbraw/zinc/69/26/42/605692642.db2.gz PXNBIAMKOAXHOT-VLOYRQLPSA-N 0 1 389.496 1.812 20 0 GDADMN O=C([O-])NCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000834245793 605693403 /nfs/dbraw/zinc/69/34/03/605693403.db2.gz FKYVZXGGTZCFNJ-RDJZCZTQSA-N 0 1 387.436 1.660 20 0 GDADMN O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000834039961 605777100 /nfs/dbraw/zinc/77/71/00/605777100.db2.gz KAUIEOFWMDQKHQ-SJLPKXTDSA-N 0 1 375.469 1.617 20 0 GDADMN O=C(C[N@H+](C1CC1)[C@@H]1CCN(C(=O)[O-])C1)NCCCN1CCCCCC1=O ZINC000834004213 605778417 /nfs/dbraw/zinc/77/84/17/605778417.db2.gz RIQSFWJGFLPKSX-MRXNPFEDSA-N 0 1 380.489 1.112 20 0 GDADMN O=C(C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)[O-])C1)NCCCN1CCCCCC1=O ZINC000834004213 605778418 /nfs/dbraw/zinc/77/84/18/605778418.db2.gz RIQSFWJGFLPKSX-MRXNPFEDSA-N 0 1 380.489 1.112 20 0 GDADMN O=C([O-])N1CCC2(C[C@H]2C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000834042314 605826923 /nfs/dbraw/zinc/82/69/23/605826923.db2.gz RKPPBWMHNVMIGO-SFHVURJKSA-N 0 1 386.496 1.705 20 0 GDADMN CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833860650 605876103 /nfs/dbraw/zinc/87/61/03/605876103.db2.gz BVSGAZPQKROBDL-FUNVUKJBSA-N 0 1 393.444 1.141 20 0 GDADMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000833830451 605909651 /nfs/dbraw/zinc/90/96/51/605909651.db2.gz JCPZDLNYICKKTA-CVEARBPZSA-N 0 1 390.484 1.830 20 0 GDADMN Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])CC2)cn1 ZINC000740285724 605919195 /nfs/dbraw/zinc/91/91/95/605919195.db2.gz FQDCJUAVBCQNCU-GOSISDBHSA-N 0 1 385.468 1.333 20 0 GDADMN Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])CC2)cn1 ZINC000740285724 605919197 /nfs/dbraw/zinc/91/91/97/605919197.db2.gz FQDCJUAVBCQNCU-GOSISDBHSA-N 0 1 385.468 1.333 20 0 GDADMN COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000739908515 605929133 /nfs/dbraw/zinc/92/91/33/605929133.db2.gz UAKWBYXDGHNPNW-KRWDZBQOSA-N 0 1 390.484 1.071 20 0 GDADMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833622427 605938507 /nfs/dbraw/zinc/93/85/07/605938507.db2.gz HQBMANGKWDTDGP-OTYXRUKQSA-N 0 1 399.369 1.941 20 0 GDADMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000832234613 605941814 /nfs/dbraw/zinc/94/18/14/605941814.db2.gz FHOYBRMSTIWUAB-JALIKCBVSA-N 0 1 387.436 1.297 20 0 GDADMN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000530031606 649962883 /nfs/dbraw/zinc/96/28/83/649962883.db2.gz ASYMNBWAEWJUSE-DAXOMENPSA-N 0 1 388.295 1.694 20 0 GDADMN 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Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC000822619805 606169492 /nfs/dbraw/zinc/16/94/92/606169492.db2.gz GGNUMBJGUOKGAM-UHFFFAOYSA-N 0 1 395.471 1.908 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC000822619805 606169493 /nfs/dbraw/zinc/16/94/93/606169493.db2.gz GGNUMBJGUOKGAM-UHFFFAOYSA-N 0 1 395.471 1.908 20 0 GDADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000821222723 606176840 /nfs/dbraw/zinc/17/68/40/606176840.db2.gz XZBQGZDJVSNSJE-UHFFFAOYSA-N 0 1 398.423 1.094 20 0 GDADMN CC(C)N(C)C(=O)[C@H](C)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000819855543 606177963 /nfs/dbraw/zinc/17/79/63/606177963.db2.gz DZUHOECNOFBWTH-LBPRGKRZSA-N 0 1 388.476 1.109 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000821969401 606185398 /nfs/dbraw/zinc/18/53/98/606185398.db2.gz ABRKVFTXJOHZRZ-QMMMGPOBSA-N 0 1 394.457 1.491 20 0 GDADMN O=S(=O)(CCN1CCC[C@H]1CN1CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562508 606188390 /nfs/dbraw/zinc/18/83/90/606188390.db2.gz SHVUDWMGHCTLSU-INIZCTEOSA-N 0 1 390.513 1.201 20 0 GDADMN C[C@H]1C[C@H](N(C)CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCN1C ZINC000820656130 606188497 /nfs/dbraw/zinc/18/84/97/606188497.db2.gz DDSCCKKGKPQMOK-DZGCQCFKSA-N 0 1 378.502 1.055 20 0 GDADMN NC(=O)C1CCN(c2ncccc2CNCc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000822864906 606217120 /nfs/dbraw/zinc/21/71/20/606217120.db2.gz OMZURORBEJZKQP-UHFFFAOYSA-N 0 1 398.496 1.315 20 0 GDADMN CN(CCNC(=O)CNc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1 ZINC000821602507 606366286 /nfs/dbraw/zinc/36/62/86/606366286.db2.gz GFMCYMHPIZSSNV-UHFFFAOYSA-N 0 1 383.431 1.666 20 0 GDADMN CN(CCNC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1 ZINC000821602599 606384831 /nfs/dbraw/zinc/38/48/31/606384831.db2.gz JWLBSTJVYSEYDW-UHFFFAOYSA-N 0 1 383.431 1.937 20 0 GDADMN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820684219 606542311 /nfs/dbraw/zinc/54/23/11/606542311.db2.gz NMCOIRCDLXCPTJ-ZIAGYGMSSA-N 0 1 389.529 1.559 20 0 GDADMN 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WPUFJCDVLUIJKW-CYBMUJFWSA-N 0 1 393.879 1.998 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(OCc2ccccn2)c1 ZINC000823136375 607207859 /nfs/dbraw/zinc/20/78/59/607207859.db2.gz YERBZXIRDSQCFE-UHFFFAOYSA-N 0 1 377.368 1.071 20 0 GDADMN CC[C@H](C)[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc2ccccc2[nH]1 ZINC000820859472 607208923 /nfs/dbraw/zinc/20/89/23/607208923.db2.gz DZABNUGTAGSSJY-HZMBPMFUSA-N 0 1 380.416 1.238 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000823126948 607210339 /nfs/dbraw/zinc/21/03/39/607210339.db2.gz OPWGNCYIWWMTIE-UHFFFAOYSA-N 0 1 386.847 1.740 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000823126032 607211919 /nfs/dbraw/zinc/21/19/19/607211919.db2.gz FWEVLSLALYUAQA-UHFFFAOYSA-N 0 1 379.211 1.571 20 0 GDADMN Cc1ccc(C)c([C@@H]2CN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)[C@@H](C)CO2)c1 ZINC000822232116 607219606 /nfs/dbraw/zinc/21/96/06/607219606.db2.gz UJQYOTWTJQDMSK-ZFWWWQNUSA-N 0 1 382.428 1.064 20 0 GDADMN COc1ccc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)s2)cc1 ZINC000821728241 607221474 /nfs/dbraw/zinc/22/14/74/607221474.db2.gz SIWBDOSLGIACOJ-UHFFFAOYSA-N 0 1 396.436 1.512 20 0 GDADMN CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824199079 607818262 /nfs/dbraw/zinc/81/82/62/607818262.db2.gz HBMXZUWYONGEOT-CYBMUJFWSA-N 0 1 389.428 1.466 20 0 GDADMN Clc1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc1-c1nnn[n-]1 ZINC000826352232 607849798 /nfs/dbraw/zinc/84/97/98/607849798.db2.gz TUXSNWNVJSBPGX-ZDUSSCGKSA-N 0 1 377.880 1.996 20 0 GDADMN Clc1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc1-c1nn[n-]n1 ZINC000826352232 607849799 /nfs/dbraw/zinc/84/97/99/607849799.db2.gz TUXSNWNVJSBPGX-ZDUSSCGKSA-N 0 1 377.880 1.996 20 0 GDADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000823975511 607857966 /nfs/dbraw/zinc/85/79/66/607857966.db2.gz YYQFDQOUJLKRMR-GFCCVEGCSA-N 0 1 391.863 1.259 20 0 GDADMN Cc1cnc(=S)n(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1 ZINC000826316877 607970502 /nfs/dbraw/zinc/97/05/02/607970502.db2.gz BYQULIUFGFIJQI-UHFFFAOYSA-N 0 1 399.484 1.746 20 0 GDADMN C[C@@H]1CCCN(CCNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000824945391 608002037 /nfs/dbraw/zinc/00/20/37/608002037.db2.gz CHHPPRWHVIILHS-GFCCVEGCSA-N 0 1 382.465 1.157 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826073596 608020156 /nfs/dbraw/zinc/02/01/56/608020156.db2.gz YJTRYWNRWFKJBJ-NSHDSACASA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826073596 608020157 /nfs/dbraw/zinc/02/01/57/608020157.db2.gz YJTRYWNRWFKJBJ-NSHDSACASA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCCC[C@H]2C)c1-c1nnn[n-]1 ZINC000826077676 608020641 /nfs/dbraw/zinc/02/06/41/608020641.db2.gz QFSAKNUOVSVHRZ-YPMHNXCESA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCCC[C@H]2C)c1-c1nn[n-]n1 ZINC000826077676 608020642 /nfs/dbraw/zinc/02/06/42/608020642.db2.gz QFSAKNUOVSVHRZ-YPMHNXCESA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3cccc(C)c23)c1-c1nnn[n-]1 ZINC000826077511 608021270 /nfs/dbraw/zinc/02/12/70/608021270.db2.gz KOJDEUXEJMPVDK-UHFFFAOYSA-N 0 1 393.455 1.713 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3cccc(C)c23)c1-c1nn[n-]n1 ZINC000826077511 608021271 /nfs/dbraw/zinc/02/12/71/608021271.db2.gz KOJDEUXEJMPVDK-UHFFFAOYSA-N 0 1 393.455 1.713 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(Cl)nc(Cl)c1 ZINC000825933955 608037044 /nfs/dbraw/zinc/03/70/44/608037044.db2.gz JYVGWTJPCTTXRS-UHFFFAOYSA-N 0 1 382.259 1.938 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(Cl)nc(Cl)c1 ZINC000825933955 608037045 /nfs/dbraw/zinc/03/70/45/608037045.db2.gz JYVGWTJPCTTXRS-UHFFFAOYSA-N 0 1 382.259 1.938 20 0 GDADMN NC(=O)[C@@H](NCC1(c2ccc(F)cc2F)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389417 608047563 /nfs/dbraw/zinc/04/75/63/608047563.db2.gz XWVCDENVEHIOAX-INIZCTEOSA-N 0 1 384.390 1.993 20 0 GDADMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826431423 608076050 /nfs/dbraw/zinc/07/60/50/608076050.db2.gz AMLDWJDEFJRJQT-GJZGRUSLSA-N 0 1 398.492 1.541 20 0 GDADMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826431423 608076051 /nfs/dbraw/zinc/07/60/51/608076051.db2.gz AMLDWJDEFJRJQT-GJZGRUSLSA-N 0 1 398.492 1.541 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000824358407 608096681 /nfs/dbraw/zinc/09/66/81/608096681.db2.gz JANCSTWHPNTAGV-QMMMGPOBSA-N 0 1 396.864 1.801 20 0 GDADMN COCCOc1ccc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000826163252 608107605 /nfs/dbraw/zinc/10/76/05/608107605.db2.gz MDMUDAFJORJLQI-UHFFFAOYSA-N 0 1 375.410 1.693 20 0 GDADMN CCc1nc([C@H](C)NC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)n[nH]1 ZINC000825739783 608108271 /nfs/dbraw/zinc/10/82/71/608108271.db2.gz JQFKHZWHLXZJMR-NSHDSACASA-N 0 1 397.443 1.533 20 0 GDADMN C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824994191 608151006 /nfs/dbraw/zinc/15/10/06/608151006.db2.gz UCCQYMSJSXXYOK-HNAYVOBHSA-N 0 1 392.511 1.877 20 0 GDADMN C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824992223 608151188 /nfs/dbraw/zinc/15/11/88/608151188.db2.gz KWNXWDMMPRDSLB-GXTWGEPZSA-N 0 1 376.896 1.377 20 0 GDADMN C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824992223 608151190 /nfs/dbraw/zinc/15/11/90/608151190.db2.gz KWNXWDMMPRDSLB-GXTWGEPZSA-N 0 1 376.896 1.377 20 0 GDADMN Cc1oc(NC(=O)CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(-c2nn[nH]n2)c1C ZINC000826341329 608169287 /nfs/dbraw/zinc/16/92/87/608169287.db2.gz DDSJGHDMWUCBHK-QWHCGFSZSA-N 0 1 387.444 1.006 20 0 GDADMN COc1ccc(COC(=O)c2ccc3c(C=O)[nH]nc3c2)cc1-c1nn[nH]n1 ZINC000826206374 608252551 /nfs/dbraw/zinc/25/25/51/608252551.db2.gz PVRUNUNGZYJMLW-UHFFFAOYSA-N 0 1 378.348 1.921 20 0 GDADMN Cn1cc(CN2CCCN(c3nc4c(cc3-c3nn[nH]n3)CCCC4)CC2)cn1 ZINC000826361054 608285712 /nfs/dbraw/zinc/28/57/12/608285712.db2.gz JNUREACVNCHOBY-UHFFFAOYSA-N 0 1 393.499 1.586 20 0 GDADMN CNC(=O)[C@@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826060978 608311433 /nfs/dbraw/zinc/31/14/33/608311433.db2.gz XRELMGKKHJIZSM-CQSZACIVSA-N 0 1 380.456 1.319 20 0 GDADMN CNC(=O)[C@@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826060978 608311434 /nfs/dbraw/zinc/31/14/34/608311434.db2.gz XRELMGKKHJIZSM-CQSZACIVSA-N 0 1 380.456 1.319 20 0 GDADMN CNC(=O)[C@@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826060978 608311435 /nfs/dbraw/zinc/31/14/35/608311435.db2.gz XRELMGKKHJIZSM-CQSZACIVSA-N 0 1 380.456 1.319 20 0 GDADMN CNC(=O)[C@@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826060978 608311436 /nfs/dbraw/zinc/31/14/36/608311436.db2.gz XRELMGKKHJIZSM-CQSZACIVSA-N 0 1 380.456 1.319 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2Cn2cncn2)c1-c1nn[n-]n1 ZINC000826332179 608312399 /nfs/dbraw/zinc/31/23/99/608312399.db2.gz MASAHTLDWVHFCA-INIZCTEOSA-N 0 1 390.455 1.617 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2Cn2cncn2)c1-c1nn[n-]n1 ZINC000826332179 608312400 /nfs/dbraw/zinc/31/24/00/608312400.db2.gz MASAHTLDWVHFCA-INIZCTEOSA-N 0 1 390.455 1.617 20 0 GDADMN COCc1cccc(CNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826164724 608464696 /nfs/dbraw/zinc/46/46/96/608464696.db2.gz MYDUSQLXGHMARP-AWEZNQCLSA-N 0 1 380.452 1.980 20 0 GDADMN COc1cccc(S(=O)(=O)CCN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826217493 608485363 /nfs/dbraw/zinc/48/53/63/608485363.db2.gz OZLXLYPESZTOAU-ZDUSSCGKSA-N 0 1 387.465 2.000 20 0 GDADMN C[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1cccc(-c2nn[nH]n2)c1 ZINC000824555592 608490404 /nfs/dbraw/zinc/49/04/04/608490404.db2.gz XYPMSUTWULYHJX-GFCCVEGCSA-N 0 1 377.408 1.503 20 0 GDADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NCCOc1ccccc1 ZINC000826412387 608532582 /nfs/dbraw/zinc/53/25/82/608532582.db2.gz MFESVGRQIDCSCM-UHFFFAOYSA-N 0 1 378.436 1.641 20 0 GDADMN CCN(Cc1cnc2c(C(N)=O)cnn2c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825443810 608550650 /nfs/dbraw/zinc/55/06/50/608550650.db2.gz GNEXNJPZTBUGOX-LBPRGKRZSA-N 0 1 391.439 1.591 20 0 GDADMN CS(=O)(=O)C[C@@H](NCCOc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000826222083 608553579 /nfs/dbraw/zinc/55/35/79/608553579.db2.gz HZZSLHLRINADCA-MRXNPFEDSA-N 0 1 387.465 1.621 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)c2ccncc2)cc1-c1nn[nH]n1 ZINC000826229509 608590629 /nfs/dbraw/zinc/59/06/29/608590629.db2.gz HMWPWHMGQGFAJW-UHFFFAOYSA-N 0 1 385.453 1.792 20 0 GDADMN CN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000825991893 608683874 /nfs/dbraw/zinc/68/38/74/608683874.db2.gz LAVMGNFZKJBNCR-AWEZNQCLSA-N 0 1 398.471 1.956 20 0 GDADMN O=C1CCCCN1CC1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826479721 608714621 /nfs/dbraw/zinc/71/46/21/608714621.db2.gz GRGXMLGIGPFXEH-UHFFFAOYSA-N 0 1 394.483 1.739 20 0 GDADMN c1cnc(N2CCN(CCCCNc3cnccc3-c3nn[nH]n3)CC2)nc1 ZINC000826525435 608783454 /nfs/dbraw/zinc/78/34/54/608783454.db2.gz KKJLOCVDSCTIOQ-UHFFFAOYSA-N 0 1 380.460 1.066 20 0 GDADMN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826366613 609168406 /nfs/dbraw/zinc/16/84/06/609168406.db2.gz QFBOCHRFVAZQHQ-DLBZAZTESA-N 0 1 392.467 1.763 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2OCCC3=O)cc1-c1nn[nH]n1 ZINC000826229946 609177548 /nfs/dbraw/zinc/17/75/48/609177548.db2.gz XOESYVBRCFCVCS-UHFFFAOYSA-N 0 1 398.404 1.907 20 0 GDADMN CN(C)Cc1cc(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000825870539 609231599 /nfs/dbraw/zinc/23/15/99/609231599.db2.gz QLUUCJWAMWBEIM-QGZVFWFLSA-N 0 1 384.415 1.417 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C2CCOCC2)cc1-c1nn[nH]n1 ZINC000826229866 609267356 /nfs/dbraw/zinc/26/73/56/609267356.db2.gz USZLIVDFOIVIFZ-ZDUSSCGKSA-N 0 1 390.469 1.720 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C2CCOCC2)cc1-c1nn[nH]n1 ZINC000826229865 609267621 /nfs/dbraw/zinc/26/76/21/609267621.db2.gz USZLIVDFOIVIFZ-CYBMUJFWSA-N 0 1 390.469 1.720 20 0 GDADMN O=C(C=Cc1ccncn1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826402949 609297012 /nfs/dbraw/zinc/29/70/12/609297012.db2.gz GPBHBUCUJWOEBS-SREVYHEPSA-N 0 1 390.451 1.404 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H](OC(F)F)C2)cc1-c1nn[nH]n1 ZINC000826229943 609320254 /nfs/dbraw/zinc/32/02/54/609320254.db2.gz XLTGKJBIGOAMHU-SSDOTTSWSA-N 0 1 386.384 1.533 20 0 GDADMN COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826160607 609348115 /nfs/dbraw/zinc/34/81/15/609348115.db2.gz YYTHFXMEETXATK-LRDDRELGSA-N 0 1 378.452 1.834 20 0 GDADMN C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1[NH+](C)C ZINC000824977282 609357783 /nfs/dbraw/zinc/35/77/83/609357783.db2.gz PZTYTDGQCVWCIB-BXUZGUMPSA-N 0 1 399.434 1.605 20 0 GDADMN CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C[C@H]1CCCC[C@@H]1O ZINC000825892834 609375521 /nfs/dbraw/zinc/37/55/21/609375521.db2.gz VNPRBAQMFCMSNL-ABAIWWIYSA-N 0 1 378.864 1.942 20 0 GDADMN Cc1nnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(-c2nn[n-]n2)c1C ZINC000826336903 609386001 /nfs/dbraw/zinc/38/60/01/609386001.db2.gz TVZAQYWTEGXTPJ-QGZVFWFLSA-N 0 1 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CCCNC(=O)Cc1csc(NC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)n1 ZINC001571277270 945741161 /nfs/dbraw/zinc/74/11/61/945741161.db2.gz ODJGMGNUVZUWIM-UHFFFAOYSA-N 0 1 387.425 1.350 20 0 GDADMN C[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCCCN1C ZINC001571282435 945840765 /nfs/dbraw/zinc/84/07/65/945840765.db2.gz YJIOQKIHLDXMIQ-XNRPHZJLSA-N 0 1 387.463 1.431 20 0 GDADMN CC1(NC(=O)c2ccc(F)s2)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571286477 945947880 /nfs/dbraw/zinc/94/78/80/945947880.db2.gz IZMMSIOOLXAJAW-UHFFFAOYSA-N 0 1 388.432 1.646 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571288699 945990859 /nfs/dbraw/zinc/99/08/59/945990859.db2.gz RIMAXIKVFLIVQC-CJNGLKHVSA-N 0 1 388.447 1.464 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)CCCOC1 ZINC001571289204 945998805 /nfs/dbraw/zinc/99/88/05/945998805.db2.gz XCAYXEJNRYPXDX-DNVCBOLYSA-N 0 1 388.447 1.513 20 0 GDADMN Cc1nonc1C(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289420 946007422 /nfs/dbraw/zinc/00/74/22/946007422.db2.gz CRZLKNVKVDWVTF-GXSJLCMTSA-N 0 1 388.457 1.118 20 0 GDADMN Cc1nonc1C(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289420 946007432 /nfs/dbraw/zinc/00/74/32/946007432.db2.gz CRZLKNVKVDWVTF-GXSJLCMTSA-N 0 1 388.457 1.118 20 0 GDADMN O=C(CN1CCCC1)N[C@H]1CCC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001571290130 946029944 /nfs/dbraw/zinc/02/99/44/946029944.db2.gz VUOGYGWIBASZAR-DOMZBBRYSA-N 0 1 388.451 1.193 20 0 GDADMN CC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001571290158 946030761 /nfs/dbraw/zinc/03/07/61/946030761.db2.gz WLWCQZHESXXLNO-NHAGDIPZSA-N 0 1 388.497 1.291 20 0 GDADMN CC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001571290158 946030775 /nfs/dbraw/zinc/03/07/75/946030775.db2.gz WLWCQZHESXXLNO-NHAGDIPZSA-N 0 1 388.497 1.291 20 0 GDADMN O=C(N[C@@H]1CCC[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1ncn[nH]1 ZINC001571290747 946054204 /nfs/dbraw/zinc/05/42/04/946054204.db2.gz NUOGJVRJCHFVLP-VHSXEESVSA-N 0 1 388.823 1.186 20 0 GDADMN O=C(N[C@@H]1CCC[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1nc[nH]n1 ZINC001571290747 946054218 /nfs/dbraw/zinc/05/42/18/946054218.db2.gz NUOGJVRJCHFVLP-VHSXEESVSA-N 0 1 388.823 1.186 20 0 GDADMN CCOC(=O)C1([C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CCOCC1 ZINC001571291164 946068037 /nfs/dbraw/zinc/06/80/37/946068037.db2.gz FGDBBZFVTSYIGB-LLVKDONJSA-N 0 1 389.412 1.051 20 0 GDADMN Cc1nc(CN2CCCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000822441101 946093079 /nfs/dbraw/zinc/09/30/79/946093079.db2.gz STTVNEVLENNITB-GOSISDBHSA-N 0 1 397.483 1.713 20 0 GDADMN COc1nc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)co1 ZINC001571293656 946112650 /nfs/dbraw/zinc/11/26/50/946112650.db2.gz OIJFXZPOJBYRJW-SNVBAGLBSA-N 0 1 389.441 1.319 20 0 GDADMN COc1nc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)co1 ZINC001571293656 946112656 /nfs/dbraw/zinc/11/26/56/946112656.db2.gz OIJFXZPOJBYRJW-SNVBAGLBSA-N 0 1 389.441 1.319 20 0 GDADMN O=C([C@H]1CCC1(F)F)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571294755 946143624 /nfs/dbraw/zinc/14/36/24/946143624.db2.gz LZGYIOSLWSSHND-BZNIZROVSA-N 0 1 390.398 1.131 20 0 GDADMN CC[C@@H](SC)C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571294929 946147080 /nfs/dbraw/zinc/14/70/80/946147080.db2.gz MOGKRUGNYXUMJP-XJKSGUPXSA-N 0 1 389.529 1.996 20 0 GDADMN C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001571298375 946213274 /nfs/dbraw/zinc/21/32/74/946213274.db2.gz FVMANLHFWLYZGI-SECBINFHSA-N 0 1 390.450 1.460 20 0 GDADMN C[C@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571298504 946219162 /nfs/dbraw/zinc/21/91/62/946219162.db2.gz PMNVTDZEAOVKGI-VHSXEESVSA-N 0 1 390.498 1.278 20 0 GDADMN C[C@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571298504 946219170 /nfs/dbraw/zinc/21/91/70/946219170.db2.gz PMNVTDZEAOVKGI-VHSXEESVSA-N 0 1 390.498 1.278 20 0 GDADMN CN1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571298588 946222754 /nfs/dbraw/zinc/22/27/54/946222754.db2.gz BJHNTEKMRVHLHN-DYVFJYSZSA-N 0 1 390.879 1.094 20 0 GDADMN O=C(c1cscc1Cl)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571298644 946224919 /nfs/dbraw/zinc/22/49/19/946224919.db2.gz BULPVTIVYBXWAW-SECBINFHSA-N 0 1 390.860 1.510 20 0 GDADMN C[C@H]1CO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001571299336 946244915 /nfs/dbraw/zinc/24/49/15/946244915.db2.gz KZGODLZQIRICFE-RGCMKSIDSA-N 0 1 390.513 1.870 20 0 GDADMN C[C@H]1CO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)C1 ZINC001571299336 946244926 /nfs/dbraw/zinc/24/49/26/946244926.db2.gz KZGODLZQIRICFE-RGCMKSIDSA-N 0 1 390.513 1.870 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571299269 946244993 /nfs/dbraw/zinc/24/49/93/946244993.db2.gz KDXQVCSMTIROHM-CHWSQXEVSA-N 0 1 390.517 1.376 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571299269 946245006 /nfs/dbraw/zinc/24/50/06/946245006.db2.gz KDXQVCSMTIROHM-CHWSQXEVSA-N 0 1 390.517 1.376 20 0 GDADMN C[C@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571299886 946263997 /nfs/dbraw/zinc/26/39/97/946263997.db2.gz QGCSZIQBIZAANK-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571299886 946264008 /nfs/dbraw/zinc/26/40/08/946264008.db2.gz QGCSZIQBIZAANK-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001571299874 946264695 /nfs/dbraw/zinc/26/46/95/946264695.db2.gz QAXUVJSBRTTZRR-CYBMUJFWSA-N 0 1 390.513 1.826 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001571299874 946264707 /nfs/dbraw/zinc/26/47/07/946264707.db2.gz QAXUVJSBRTTZRR-CYBMUJFWSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001571300069 946273431 /nfs/dbraw/zinc/27/34/31/946273431.db2.gz SQPICFGXNYZIEV-PWGQDJSOSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001571300069 946273443 /nfs/dbraw/zinc/27/34/43/946273443.db2.gz SQPICFGXNYZIEV-PWGQDJSOSA-N 0 1 390.513 1.729 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303208 946327990 /nfs/dbraw/zinc/32/79/90/946327990.db2.gz JUNDHZQKLDYAIK-IYOUNJFTSA-N 0 1 391.435 1.055 20 0 GDADMN O=S(=O)(c1ccsc1-c1nn[nH]n1)N1CCC[C@]1(CO)c1ccccc1 ZINC001571306611 946404775 /nfs/dbraw/zinc/40/47/75/946404775.db2.gz MEXPZEWVJWISQR-INIZCTEOSA-N 0 1 391.478 1.601 20 0 GDADMN Cc1cncc(CC(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571307031 946414114 /nfs/dbraw/zinc/41/41/14/946414114.db2.gz UTUFBVQFDAOILC-LJQANCHMSA-N 0 1 391.479 1.893 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cscc1C(F)F ZINC001571307263 946420237 /nfs/dbraw/zinc/42/02/37/946420237.db2.gz BKKWSFUNGWFPQT-ZKCHVHJHSA-N 0 1 392.395 1.451 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571308089 946429383 /nfs/dbraw/zinc/42/93/83/946429383.db2.gz MFSMXYDVBSKRBP-GHMZBOCLSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571308089 946429391 /nfs/dbraw/zinc/42/93/91/946429391.db2.gz MFSMXYDVBSKRBP-GHMZBOCLSA-N 0 1 392.414 1.163 20 0 GDADMN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2)c1ccccc1O ZINC001571309507 946447659 /nfs/dbraw/zinc/44/76/59/946447659.db2.gz CBJIUQSSHYAYGB-XQQFMLRXSA-N 0 1 392.423 1.150 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)n1cccn1 ZINC001571310532 946475709 /nfs/dbraw/zinc/47/57/09/946475709.db2.gz ITDLGYBSRADFPG-BMGDILEWSA-N 0 1 392.467 1.357 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC001571310617 946477244 /nfs/dbraw/zinc/47/72/44/946477244.db2.gz KWDWNKSRJYCKHE-GDBMZVCRSA-N 0 1 392.467 1.360 20 0 GDADMN COc1cccc(CC(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571311459 946487756 /nfs/dbraw/zinc/48/77/56/946487756.db2.gz YAKACODENDNKPV-GOSISDBHSA-N 0 1 392.463 1.809 20 0 GDADMN CC(=O)N[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000823989488 946535628 /nfs/dbraw/zinc/53/56/28/946535628.db2.gz ZGYYDLNNWKILSP-KRWDZBQOSA-N 0 1 380.456 1.368 20 0 GDADMN Cc1cc(NC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314766 946544413 /nfs/dbraw/zinc/54/44/13/946544413.db2.gz CKZCAFWORVNMDP-BBRMVZONSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cc(NC[C@H]2CCN(C(=O)c3ccncc3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314768 946545111 /nfs/dbraw/zinc/54/51/11/946545111.db2.gz CKZCAFWORVNMDP-CZUORRHYSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571315630 946554848 /nfs/dbraw/zinc/55/48/48/946554848.db2.gz MMYUQEYFXYXDFK-LSDHHAIUSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccncc3-c3nn[nH]n3)C2)nc1C ZINC001571315587 946556508 /nfs/dbraw/zinc/55/65/08/946556508.db2.gz LXBBENBOCXUKRS-LSDHHAIUSA-N 0 1 392.467 1.658 20 0 GDADMN Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571315836 946561168 /nfs/dbraw/zinc/56/11/68/946561168.db2.gz PDSQMKCWBCAXOA-IAOVAPTHSA-N 0 1 392.467 1.673 20 0 GDADMN Cc1cc(NC[C@H]2CCCN2C(=O)Cc2cnccc2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316237 946572256 /nfs/dbraw/zinc/57/22/56/946572256.db2.gz XBFQLSAERHVTBG-MRXNPFEDSA-N 0 1 392.467 1.341 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571316334 946575200 /nfs/dbraw/zinc/57/52/00/946575200.db2.gz ACIKGDNWFXLXGU-HOTGVXAUSA-N 0 1 392.467 1.400 20 0 GDADMN Cn1ncc(C2CC2)c1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316768 946586293 /nfs/dbraw/zinc/58/62/93/946586293.db2.gz MGGAHYRZDJRBMJ-INIZCTEOSA-N 0 1 392.467 1.482 20 0 GDADMN Cc1nnccc1C(=O)N[C@H]1CC[C@@H](C)N(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316751 946586595 /nfs/dbraw/zinc/58/65/95/946586595.db2.gz LMEIMOKXHYHKBR-DYVFJYSZSA-N 0 1 392.467 1.748 20 0 GDADMN C[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317935 946624389 /nfs/dbraw/zinc/62/43/89/946624389.db2.gz ZFJHXKVVYBKOPS-WCBMZHEXSA-N 0 1 392.876 1.806 20 0 GDADMN CC1(C)CC[C@H]2C[C@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c3cccc1c32 ZINC000824801708 946937903 /nfs/dbraw/zinc/93/79/03/946937903.db2.gz GXCACAZRZJDWIH-FZMZJTMJSA-N 0 1 378.440 1.874 20 0 GDADMN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573593636 947374387 /nfs/dbraw/zinc/37/43/87/947374387.db2.gz LDXJWNJRHQKCJF-HIFPTAJRSA-N 0 1 386.485 1.465 20 0 GDADMN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573593636 947374400 /nfs/dbraw/zinc/37/44/00/947374400.db2.gz LDXJWNJRHQKCJF-HIFPTAJRSA-N 0 1 386.485 1.465 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCC(=O)OCc1ccccc1 ZINC000825933737 947375259 /nfs/dbraw/zinc/37/52/59/947375259.db2.gz FQJITCKHKBYAIF-UHFFFAOYSA-N 0 1 384.444 1.170 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCC(=O)OCc1ccccc1 ZINC000825933737 947375271 /nfs/dbraw/zinc/37/52/71/947375271.db2.gz FQJITCKHKBYAIF-UHFFFAOYSA-N 0 1 384.444 1.170 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCC(=O)OCc1ccccc1 ZINC000825933737 947375282 /nfs/dbraw/zinc/37/52/82/947375282.db2.gz FQJITCKHKBYAIF-UHFFFAOYSA-N 0 1 384.444 1.170 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCC(=O)OCc1ccccc1 ZINC000825933737 947375294 /nfs/dbraw/zinc/37/52/94/947375294.db2.gz FQJITCKHKBYAIF-UHFFFAOYSA-N 0 1 384.444 1.170 20 0 GDADMN C[C@H](C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573593774 947378677 /nfs/dbraw/zinc/37/86/77/947378677.db2.gz VSNODQDEBTVOOD-XJKSGUPXSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H](C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573594825 947408353 /nfs/dbraw/zinc/40/83/53/947408353.db2.gz UPHJLOOYHVOPGA-LRVUVFPRSA-N 0 1 378.440 1.284 20 0 GDADMN C[C@@H](C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573598815 947445778 /nfs/dbraw/zinc/44/57/78/947445778.db2.gz RWIFJMFKMYBWHJ-CQSZACIVSA-N 0 1 380.456 1.745 20 0 GDADMN C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573603792 947496648 /nfs/dbraw/zinc/49/66/48/947496648.db2.gz JWDAPRWSACLETP-GFCCVEGCSA-N 0 1 380.518 1.521 20 0 GDADMN C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573603792 947496657 /nfs/dbraw/zinc/49/66/57/947496657.db2.gz JWDAPRWSACLETP-GFCCVEGCSA-N 0 1 380.518 1.521 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001573628949 947767442 /nfs/dbraw/zinc/76/74/42/947767442.db2.gz PIQVPTZKSNVHSB-KGLIPLIRSA-N 0 1 381.440 1.873 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573629187 947772814 /nfs/dbraw/zinc/77/28/14/947772814.db2.gz RFYXEZFAORKIBU-MNOVXSKESA-N 0 1 383.378 1.675 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001573375182 947819519 /nfs/dbraw/zinc/81/95/19/947819519.db2.gz MTQWJSNYTGSMMC-MRXNPFEDSA-N 0 1 383.456 1.496 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1-c1nnn[n-]1 ZINC000826290843 947847801 /nfs/dbraw/zinc/84/78/01/947847801.db2.gz CICKPLCBXUFCSH-UHFFFAOYSA-N 0 1 385.428 1.593 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1-c1nn[n-]n1 ZINC000826290843 947847806 /nfs/dbraw/zinc/84/78/06/947847806.db2.gz CICKPLCBXUFCSH-UHFFFAOYSA-N 0 1 385.428 1.593 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573377363 947848324 /nfs/dbraw/zinc/84/83/24/947848324.db2.gz KQQILDONDWEDJP-UKRRQHHQSA-N 0 1 385.472 1.339 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)c1cccnc1 ZINC001573647012 947881645 /nfs/dbraw/zinc/88/16/45/947881645.db2.gz ABGLYUDMTDJABL-BMFZPTHFSA-N 0 1 390.451 1.355 20 0 GDADMN C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001573652145 947931814 /nfs/dbraw/zinc/93/18/14/947931814.db2.gz BGOUNIGBCIZORP-VOJFVSQTSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573655197 947975275 /nfs/dbraw/zinc/97/52/75/947975275.db2.gz WJTWTXYUEKNGSN-ZJUUUORDSA-N 0 1 382.419 1.313 20 0 GDADMN Cc1onc(CC(=O)N(CCc2ccccc2)CC[NH+](C)C)c1-c1nnn[n-]1 ZINC000826343740 947995994 /nfs/dbraw/zinc/99/59/94/947995994.db2.gz LPEMGYIXLYVOKP-UHFFFAOYSA-N 0 1 383.456 1.339 20 0 GDADMN Cc1onc(CC(=O)N(CCc2ccccc2)CC[NH+](C)C)c1-c1nn[n-]n1 ZINC000826343740 947995999 /nfs/dbraw/zinc/99/59/99/947995999.db2.gz LPEMGYIXLYVOKP-UHFFFAOYSA-N 0 1 383.456 1.339 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346615 948043026 /nfs/dbraw/zinc/04/30/26/948043026.db2.gz QRFMTADUWLKESW-DOMZBBRYSA-N 0 1 381.440 1.657 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346615 948043037 /nfs/dbraw/zinc/04/30/37/948043037.db2.gz QRFMTADUWLKESW-DOMZBBRYSA-N 0 1 381.440 1.657 20 0 GDADMN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573664353 948052295 /nfs/dbraw/zinc/05/22/95/948052295.db2.gz UHEXPAVIKBZOHE-HSBZDZAISA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573664353 948052303 /nfs/dbraw/zinc/05/23/03/948052303.db2.gz UHEXPAVIKBZOHE-HSBZDZAISA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573667326 948096852 /nfs/dbraw/zinc/09/68/52/948096852.db2.gz YYPDCXAJPANEPH-QWRGUYRKSA-N 0 1 383.378 1.935 20 0 GDADMN Cn1cc(CN2CCCC[C@@H]2C2OCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360248 948118262 /nfs/dbraw/zinc/11/82/62/948118262.db2.gz CPGKDEJCYNLLLG-QGZVFWFLSA-N 0 1 395.467 1.995 20 0 GDADMN NC(=O)[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388699 948196170 /nfs/dbraw/zinc/19/61/70/948196170.db2.gz HGZWJKHZRUUNBN-RDJZCZTQSA-N 0 1 397.870 1.915 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573681449 948204101 /nfs/dbraw/zinc/20/41/01/948204101.db2.gz WYBOCPMLHPPKIV-VXGBXAGGSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573681449 948204111 /nfs/dbraw/zinc/20/41/11/948204111.db2.gz WYBOCPMLHPPKIV-VXGBXAGGSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@@H](C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)[C@@H]1CCCO1 ZINC001573692435 948265014 /nfs/dbraw/zinc/26/50/14/948265014.db2.gz PQPADTKDAGZORD-WBMJQRKESA-N 0 1 388.447 1.559 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573703863 948361758 /nfs/dbraw/zinc/36/17/58/948361758.db2.gz NFBXHHPSUWSSAC-QWRGUYRKSA-N 0 1 380.403 1.281 20 0 GDADMN C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573704772 948382718 /nfs/dbraw/zinc/38/27/18/948382718.db2.gz AJSHAOUSOXHYQA-VSQXVHSFSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573704772 948382722 /nfs/dbraw/zinc/38/27/22/948382722.db2.gz AJSHAOUSOXHYQA-VSQXVHSFSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@H](C(=O)NCCN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573721258 948537902 /nfs/dbraw/zinc/53/79/02/948537902.db2.gz VYBMOCQYEPGNCH-HNNXBMFYSA-N 0 1 383.500 1.147 20 0 GDADMN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573739779 948621961 /nfs/dbraw/zinc/62/19/61/948621961.db2.gz HPEPGTNMQKBVIL-PILAGYSTSA-N 0 1 392.467 1.546 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001573742662 948662758 /nfs/dbraw/zinc/66/27/58/948662758.db2.gz PEYLGFQYOWDHFE-BDAKNGLRSA-N 0 1 392.876 1.514 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CCC1 ZINC001573753421 948719432 /nfs/dbraw/zinc/71/94/32/948719432.db2.gz UQDOAIYGEOYWEN-YRINGNFDSA-N 0 1 384.459 1.988 20 0 GDADMN CC(C)[C@H](F)C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574075636 948746067 /nfs/dbraw/zinc/74/60/67/948746067.db2.gz XPTFLTFCSQIPNF-OCCSQVGLSA-N 0 1 376.440 1.326 20 0 GDADMN CC(C)c1cccc(C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)n1 ZINC001574416723 948759846 /nfs/dbraw/zinc/75/98/46/948759846.db2.gz FHXQSDHCTDEQPN-UHFFFAOYSA-N 0 1 380.456 1.989 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575223302 948764272 /nfs/dbraw/zinc/76/42/72/948764272.db2.gz NKLWARYSGXODPO-NWDGAFQWSA-N 0 1 391.426 1.958 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574079039 948764555 /nfs/dbraw/zinc/76/45/55/948764555.db2.gz IHOAUMSBWJTDII-CLWVCHIJSA-N 0 1 376.411 1.546 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575224403 948784874 /nfs/dbraw/zinc/78/48/74/948784874.db2.gz VQAPVTVICAWPND-UHFFFAOYSA-N 0 1 378.387 1.131 20 0 GDADMN C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574680391 948802922 /nfs/dbraw/zinc/80/29/22/948802922.db2.gz GSHYYAZRNOVUAQ-CQSZACIVSA-N 0 1 387.492 1.230 20 0 GDADMN C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574680391 948802938 /nfs/dbraw/zinc/80/29/38/948802938.db2.gz GSHYYAZRNOVUAQ-CQSZACIVSA-N 0 1 387.492 1.230 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917295 948814485 /nfs/dbraw/zinc/81/44/85/948814485.db2.gz VYGPZEANWUVITN-ZDUSSCGKSA-N 0 1 383.431 1.628 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574421813 948824642 /nfs/dbraw/zinc/82/46/42/948824642.db2.gz QESGWZZJGXEYDJ-TXEJJXNPSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573763741 948873647 /nfs/dbraw/zinc/87/36/47/948873647.db2.gz GPBKZGBHZVQPPT-HNNXBMFYSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574684747 948884429 /nfs/dbraw/zinc/88/44/29/948884429.db2.gz LYYRLAZNAJOBTK-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574684747 948884484 /nfs/dbraw/zinc/88/44/84/948884484.db2.gz LYYRLAZNAJOBTK-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574684747 948884501 /nfs/dbraw/zinc/88/45/01/948884501.db2.gz LYYRLAZNAJOBTK-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccncc1 ZINC001574684782 948886743 /nfs/dbraw/zinc/88/67/43/948886743.db2.gz MQEAJMPNBNMZCF-MRVPVSSYSA-N 0 1 378.849 1.992 20 0 GDADMN CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cs1 ZINC001574426623 948891261 /nfs/dbraw/zinc/89/12/61/948891261.db2.gz TYGYFCJQGRTBSP-PHIMTYICSA-N 0 1 384.469 1.636 20 0 GDADMN C[C@@H](CNC(=O)CCc1ncccn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920363 948898739 /nfs/dbraw/zinc/89/87/39/948898739.db2.gz JKCBWDPQLSSMRZ-LBPRGKRZSA-N 0 1 384.419 1.023 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575234423 948901411 /nfs/dbraw/zinc/90/14/11/948901411.db2.gz CLMVVBPLDRZWBH-HNNXBMFYSA-N 0 1 380.403 1.211 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnccn1 ZINC001574685239 948902754 /nfs/dbraw/zinc/90/27/54/948902754.db2.gz UCCAOGQIIISLPW-ZETCQYMHSA-N 0 1 379.837 1.387 20 0 GDADMN C[C@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920481 948906477 /nfs/dbraw/zinc/90/64/77/948906477.db2.gz MFJPHWAMOCGOAH-SNVBAGLBSA-N 0 1 377.499 1.612 20 0 GDADMN C[C@H](CNC(=O)CCc1cncs1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574920481 948906485 /nfs/dbraw/zinc/90/64/85/948906485.db2.gz MFJPHWAMOCGOAH-SNVBAGLBSA-N 0 1 377.499 1.612 20 0 GDADMN C[C@@H](CNC(=O)CCn1cccc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574923220 948938939 /nfs/dbraw/zinc/93/89/39/948938939.db2.gz HSSOIXOOMNXIIM-VIFPVBQESA-N 0 1 380.865 1.785 20 0 GDADMN CC(F)(F)CCC(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575237311 948943643 /nfs/dbraw/zinc/94/36/43/948943643.db2.gz DSDAFEUDJQXOPZ-UHFFFAOYSA-N 0 1 380.403 1.425 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574433099 948947139 /nfs/dbraw/zinc/94/71/39/948947139.db2.gz GPGQGEBTHNQIPN-LBPRGKRZSA-N 0 1 383.460 1.113 20 0 GDADMN CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574433318 948951988 /nfs/dbraw/zinc/95/19/88/948951988.db2.gz UDVSAQQCRZMJPG-LBPRGKRZSA-N 0 1 381.444 1.170 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573772847 948971335 /nfs/dbraw/zinc/97/13/35/948971335.db2.gz WYWBXQNDMPYTQS-ZJUUUORDSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)c1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574434277 948977269 /nfs/dbraw/zinc/97/72/69/948977269.db2.gz GHVYUOFVQWBUOD-UHFFFAOYSA-N 0 1 397.487 1.755 20 0 GDADMN CC(C)c1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574434277 948977280 /nfs/dbraw/zinc/97/72/80/948977280.db2.gz GHVYUOFVQWBUOD-UHFFFAOYSA-N 0 1 397.487 1.755 20 0 GDADMN CC(C)[C@@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001574689154 948981015 /nfs/dbraw/zinc/98/10/15/948981015.db2.gz DYCKAULYYASULJ-ZFWWWQNUSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001574689154 948981024 /nfs/dbraw/zinc/98/10/24/948981024.db2.gz DYCKAULYYASULJ-ZFWWWQNUSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)c1nnc(CN[C@@H](C)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC001574435359 948993503 /nfs/dbraw/zinc/99/35/03/948993503.db2.gz UGEHNOZWDWJSGB-JTQLQIEISA-N 0 1 389.489 1.468 20 0 GDADMN CC(C)[N@H+](C)CC(=O)NC[C@H](C)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574926357 948996559 /nfs/dbraw/zinc/99/65/59/948996559.db2.gz OJYYLKKNXACESC-VIFPVBQESA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)NC[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926357 948996586 /nfs/dbraw/zinc/99/65/86/948996586.db2.gz OJYYLKKNXACESC-VIFPVBQESA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[N@H+](C)CC(=O)NC[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926357 948996606 /nfs/dbraw/zinc/99/66/06/948996606.db2.gz OJYYLKKNXACESC-VIFPVBQESA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001574092043 949042051 /nfs/dbraw/zinc/04/20/51/949042051.db2.gz QVFVQJFCAPGCRH-SCLBCKFNSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)[C@H]1C[C@H](CC(=O)NCCN(C)c2ccncc2-c2nn[nH]n2)CCO1 ZINC001574092256 949055398 /nfs/dbraw/zinc/05/53/98/949055398.db2.gz MYGMKXUKBNTMKS-RHSMWYFYSA-N 0 1 387.488 1.655 20 0 GDADMN CC(C)c1occc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574441462 949057723 /nfs/dbraw/zinc/05/77/23/949057723.db2.gz LIAIADPCAMDLNQ-UHFFFAOYSA-N 0 1 384.444 1.972 20 0 GDADMN CC(C)c1occc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441790 949077363 /nfs/dbraw/zinc/07/73/63/949077363.db2.gz XFPIENGQAGTKQO-GFCCVEGCSA-N 0 1 382.428 1.724 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001574441867 949083440 /nfs/dbraw/zinc/08/34/40/949083440.db2.gz DDATTYAIYSZGML-OAHLLOKOSA-N 0 1 384.444 1.662 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001574694661 949088964 /nfs/dbraw/zinc/08/89/64/949088964.db2.gz UBOHHTLNDMCTLK-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001574694661 949088982 /nfs/dbraw/zinc/08/89/82/949088982.db2.gz UBOHHTLNDMCTLK-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573780298 949092118 /nfs/dbraw/zinc/09/21/18/949092118.db2.gz VMNCVYPVTZODRI-CQSZACIVSA-N 0 1 392.467 1.577 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575504949 949100747 /nfs/dbraw/zinc/10/07/47/949100747.db2.gz ZSHMHZCPAUNVCF-CHWSQXEVSA-N 0 1 382.428 1.065 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)CCC[NH+](C)C ZINC001574695193 949105765 /nfs/dbraw/zinc/10/57/65/949105765.db2.gz DVIFEBJOASPPMY-VIFPVBQESA-N 0 1 386.913 1.625 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)CCC[NH+](C)C ZINC001574695193 949105776 /nfs/dbraw/zinc/10/57/76/949105776.db2.gz DVIFEBJOASPPMY-VIFPVBQESA-N 0 1 386.913 1.625 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001575251229 949133309 /nfs/dbraw/zinc/13/33/09/949133309.db2.gz MLIVKNOGZFXZQL-NWDGAFQWSA-N 0 1 386.485 1.322 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573782850 949133928 /nfs/dbraw/zinc/13/39/28/949133928.db2.gz ZBUNCTHEIAXIKR-UONOGXRCSA-N 0 1 399.503 1.228 20 0 GDADMN CC(C)c1ocnc1C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574447689 949171822 /nfs/dbraw/zinc/17/18/22/949171822.db2.gz XRACQWLKWCLUAU-UHFFFAOYSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@H](NC(=O)[C@]1(C)CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575252920 949174964 /nfs/dbraw/zinc/17/49/64/949174964.db2.gz IHLPSJFOCQXFOT-HXPMCKFVSA-N 0 1 388.447 1.369 20 0 GDADMN CC(C)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574099705 949181457 /nfs/dbraw/zinc/18/14/57/949181457.db2.gz NVMMQTUDMWGBQA-SECBINFHSA-N 0 1 387.897 1.278 20 0 GDADMN CC(C)c1ocnc1CN[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574448405 949187661 /nfs/dbraw/zinc/18/76/61/949187661.db2.gz KUWKVFSBBYQHQL-BJHJDKERSA-N 0 1 384.444 1.604 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574940231 949258583 /nfs/dbraw/zinc/25/85/83/949258583.db2.gz CAKVTZJOLMYAKX-NSHDSACASA-N 0 1 386.847 1.494 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702394 949279892 /nfs/dbraw/zinc/27/98/92/949279892.db2.gz IGVIRTPZGXUXED-JTQLQIEISA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)C1 ZINC001576153357 949286039 /nfs/dbraw/zinc/28/60/39/949286039.db2.gz LZSKDQPGJSAQBK-LJISPDSOSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@H](NC(=O)C1=COCCC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575258487 949301822 /nfs/dbraw/zinc/30/18/22/949301822.db2.gz IABMKBGYJZOSJV-YUMQZZPRSA-N 0 1 383.865 1.976 20 0 GDADMN C[C@@H](CN(C)C(=O)C1CC(F)(F)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703295 949323238 /nfs/dbraw/zinc/32/32/38/949323238.db2.gz AXGWITFFKLSZCM-JTQLQIEISA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H]1CCC[C@@H](OCC(=O)NCCNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576154624 949349335 /nfs/dbraw/zinc/34/93/35/949349335.db2.gz QIQIVDIYSJLKPB-CZUORRHYSA-N 0 1 390.463 1.807 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc[nH]1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942336 949349352 /nfs/dbraw/zinc/34/93/52/949349352.db2.gz YOTFIXWNXSFMLH-QMMMGPOBSA-N 0 1 380.865 1.488 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001574459823 949366682 /nfs/dbraw/zinc/36/66/82/949366682.db2.gz LMIGOPUSXAQZDF-TXEJJXNPSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001574459823 949366706 /nfs/dbraw/zinc/36/67/06/949366706.db2.gz LMIGOPUSXAQZDF-TXEJJXNPSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1ccc(CNC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C2CC2)n1 ZINC001574460698 949377368 /nfs/dbraw/zinc/37/73/68/949377368.db2.gz XZTHUWXHOVGXCW-INIZCTEOSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@]1(C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nnn[n-]4)s2)C3)CCOC1 ZINC001575528204 949388529 /nfs/dbraw/zinc/38/85/29/949388529.db2.gz OUPRLKHRFLMOLL-KRWDZBQOSA-N 0 1 388.497 1.389 20 0 GDADMN C[C@]1(C(=O)N2CC3(C2)CC[N@@H+](Cc2ccc(-c4nnn[n-]4)s2)C3)CCOC1 ZINC001575528204 949388552 /nfs/dbraw/zinc/38/85/52/949388552.db2.gz OUPRLKHRFLMOLL-KRWDZBQOSA-N 0 1 388.497 1.389 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001574464312 949405786 /nfs/dbraw/zinc/40/57/86/949405786.db2.gz JXYUYRXEYISGLI-INIZCTEOSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704938 949413781 /nfs/dbraw/zinc/41/37/81/949413781.db2.gz GFGMSNAQAZCFSH-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704938 949413786 /nfs/dbraw/zinc/41/37/86/949413786.db2.gz GFGMSNAQAZCFSH-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266024 949467824 /nfs/dbraw/zinc/46/78/24/949467824.db2.gz WTTRRHLPEJOXJJ-OLZOCXBDSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266024 949467839 /nfs/dbraw/zinc/46/78/39/949467839.db2.gz WTTRRHLPEJOXJJ-OLZOCXBDSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575266024 949467851 /nfs/dbraw/zinc/46/78/51/949467851.db2.gz WTTRRHLPEJOXJJ-OLZOCXBDSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575266024 949467867 /nfs/dbraw/zinc/46/78/67/949467867.db2.gz WTTRRHLPEJOXJJ-OLZOCXBDSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157074 949472646 /nfs/dbraw/zinc/47/26/46/949472646.db2.gz PEJQCXGCMLVGBK-XIKOKIGWSA-N 0 1 381.444 1.198 20 0 GDADMN C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575266442 949477703 /nfs/dbraw/zinc/47/77/03/949477703.db2.gz CZEXOVVTRBXKCG-MNOVXSKESA-N 0 1 380.403 1.423 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574708018 949479519 /nfs/dbraw/zinc/47/95/19/949479519.db2.gz RZGVTCBKCQHYKH-QWHCGFSZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574708018 949479537 /nfs/dbraw/zinc/47/95/37/949479537.db2.gz RZGVTCBKCQHYKH-QWHCGFSZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574470382 949497728 /nfs/dbraw/zinc/49/77/28/949497728.db2.gz BVWRMMGRFMYHQQ-KGLIPLIRSA-N 0 1 380.456 1.531 20 0 GDADMN CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575537729 949499786 /nfs/dbraw/zinc/49/97/86/949499786.db2.gz ARNFHYGSVNOQSW-KBPBESRZSA-N 0 1 382.472 1.664 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872020 949528082 /nfs/dbraw/zinc/52/80/82/949528082.db2.gz FGNUFILECLMWPV-OCCSQVGLSA-N 0 1 384.488 1.957 20 0 GDADMN CC(C)CC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001574122627 949531983 /nfs/dbraw/zinc/53/19/83/949531983.db2.gz ZCFQAUBGNKAACN-ZDUSSCGKSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574711263 949533207 /nfs/dbraw/zinc/53/32/07/949533207.db2.gz FMFAGJYOQGLBEN-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574711263 949533255 /nfs/dbraw/zinc/53/32/55/949533255.db2.gz FMFAGJYOQGLBEN-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574711263 949533266 /nfs/dbraw/zinc/53/32/66/949533266.db2.gz FMFAGJYOQGLBEN-IUCAKERBSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001576164280 949553539 /nfs/dbraw/zinc/55/35/39/949553539.db2.gz GOQHPTVSYYAUGC-VWPFQQQWSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001576165311 949562929 /nfs/dbraw/zinc/56/29/29/949562929.db2.gz JIWWJKLUKWQIMD-CZUORRHYSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575540365 949565936 /nfs/dbraw/zinc/56/59/36/949565936.db2.gz XCTMHGJAHIDMQB-UGSOOPFHSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575540365 949565955 /nfs/dbraw/zinc/56/59/55/949565955.db2.gz XCTMHGJAHIDMQB-UGSOOPFHSA-N 0 1 390.513 1.826 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573811001 949587794 /nfs/dbraw/zinc/58/77/94/949587794.db2.gz GLBPPTARXPKADW-FVMIAERFSA-N 0 1 390.513 1.585 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573811001 949587808 /nfs/dbraw/zinc/58/78/08/949587808.db2.gz GLBPPTARXPKADW-FVMIAERFSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001576167153 949598231 /nfs/dbraw/zinc/59/82/31/949598231.db2.gz OYGYHKOFZMOBQN-YOEHRIQHSA-N 0 1 387.488 1.752 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574128224 949621898 /nfs/dbraw/zinc/62/18/98/949621898.db2.gz MNGXFOAQVOXJPG-GFCCVEGCSA-N 0 1 380.518 1.567 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574128224 949621915 /nfs/dbraw/zinc/62/19/15/949621915.db2.gz MNGXFOAQVOXJPG-GFCCVEGCSA-N 0 1 380.518 1.567 20 0 GDADMN C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574477462 949656029 /nfs/dbraw/zinc/65/60/29/949656029.db2.gz RJZVBGKLTLXBBZ-CYBMUJFWSA-N 0 1 384.444 1.728 20 0 GDADMN CC1(C(=O)N2CC[C@@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)CCOCC1 ZINC001575548037 949657129 /nfs/dbraw/zinc/65/71/29/949657129.db2.gz NCEPOKMOWOUODU-OAHLLOKOSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@H](NC(=O)CC[C@H]1CCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575274145 949677586 /nfs/dbraw/zinc/67/75/86/949677586.db2.gz ZCUTWXGMDBDNHY-GJZGRUSLSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880211 949699887 /nfs/dbraw/zinc/69/98/87/949699887.db2.gz SGECLPFCMCRVOI-JSGCOSHPSA-N 0 1 382.428 1.356 20 0 GDADMN C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575276166 949709496 /nfs/dbraw/zinc/70/94/96/949709496.db2.gz HGIZUSJLLRDELQ-RYUDHWBXSA-N 0 1 384.419 1.156 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574959830 949721518 /nfs/dbraw/zinc/72/15/18/949721518.db2.gz UUAIIIVJUVSXQO-MDRZDLKXSA-N 0 1 388.447 1.510 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574479011 949726916 /nfs/dbraw/zinc/72/69/16/949726916.db2.gz CBXUGXYHIVNVFZ-VHSXEESVSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575881663 949728410 /nfs/dbraw/zinc/72/84/10/949728410.db2.gz ZKYZFLCDBJUKDS-VHSXEESVSA-N 0 1 384.366 1.473 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccccc1F ZINC001573818714 949740743 /nfs/dbraw/zinc/74/07/43/949740743.db2.gz OPRDFLLXZLBJLR-ZDUSSCGKSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@]1(C(=O)N2C[C@H]3CCN(Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)CCOC1 ZINC001575558772 949741174 /nfs/dbraw/zinc/74/11/74/949741174.db2.gz RVVQSYLQYLAWQL-DFHBCGBQSA-N 0 1 388.497 1.388 20 0 GDADMN C[C@@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCCOC1 ZINC001575558738 949742420 /nfs/dbraw/zinc/74/24/20/949742420.db2.gz RQOLYUBOFKYXRS-KBXCAEBGSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCCOC1 ZINC001575558738 949742439 /nfs/dbraw/zinc/74/24/39/949742439.db2.gz RQOLYUBOFKYXRS-KBXCAEBGSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](NC(=O)CCc1cccnc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277255 949744246 /nfs/dbraw/zinc/74/42/46/949744246.db2.gz PFIJJIOZFPZINB-OAHLLOKOSA-N 0 1 391.479 1.831 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCOC1 ZINC001573818968 949745311 /nfs/dbraw/zinc/74/53/11/949745311.db2.gz PURWEYYABCCPOH-CJNGLKHVSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cccs1 ZINC001573820315 949765106 /nfs/dbraw/zinc/76/51/06/949765106.db2.gz XKFDAGJYEXMAPU-GFCCVEGCSA-N 0 1 386.485 1.326 20 0 GDADMN C[C@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOC1 ZINC001575559920 949771993 /nfs/dbraw/zinc/77/19/93/949771993.db2.gz ZECSUAUMOQYFFJ-GUYCJALGSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOC1 ZINC001575559920 949772008 /nfs/dbraw/zinc/77/20/08/949772008.db2.gz ZECSUAUMOQYFFJ-GUYCJALGSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574966046 949834904 /nfs/dbraw/zinc/83/49/04/949834904.db2.gz SLUDPBPEFHWMCE-ICCXJUOJSA-N 0 1 382.390 1.844 20 0 GDADMN C[C@]1(C(=O)NC2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575563173 949836839 /nfs/dbraw/zinc/83/68/39/949836839.db2.gz JNBHPSLXRVYATL-MHVYXZCWSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@H](CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574483760 949843115 /nfs/dbraw/zinc/84/31/15/949843115.db2.gz LEHWBDNZHNVOPN-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001574483760 949843137 /nfs/dbraw/zinc/84/31/37/949843137.db2.gz LEHWBDNZHNVOPN-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001576173767 949846335 /nfs/dbraw/zinc/84/63/35/949846335.db2.gz YSIQKXHWAMVTQH-BYNSBNAKSA-N 0 1 382.472 1.378 20 0 GDADMN CC1(C(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575564780 949868755 /nfs/dbraw/zinc/86/87/55/949868755.db2.gz SLXQUYSDRLQLKC-INIZCTEOSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1ccc(-c2nn[nH]n2)cn1 ZINC001576178482 949888738 /nfs/dbraw/zinc/88/87/38/949888738.db2.gz BREKOUALXHQARK-DOMZBBRYSA-N 0 1 381.444 1.728 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1cn[nH]c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725068 949890994 /nfs/dbraw/zinc/89/09/94/949890994.db2.gz OORLUQAMYNPPJF-LBPRGKRZSA-N 0 1 386.435 1.298 20 0 GDADMN C[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574484953 949913335 /nfs/dbraw/zinc/91/33/35/949913335.db2.gz SIHAATYMZFXGLK-DZGCQCFKSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575284748 949918103 /nfs/dbraw/zinc/91/81/03/949918103.db2.gz WKBOWQQWWOLOOA-CHWSQXEVSA-N 0 1 388.476 1.193 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574485230 949921324 /nfs/dbraw/zinc/92/13/24/949921324.db2.gz VLFNIHJHQZZXOS-ZBFHGGJFSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181294 949998190 /nfs/dbraw/zinc/99/81/90/949998190.db2.gz HFSDALYQEBUDRW-UONOGXRCSA-N 0 1 380.456 1.151 20 0 GDADMN CCCOCc1ccccc1CNC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001589679891 950030754 /nfs/dbraw/zinc/03/07/54/950030754.db2.gz ATKVLDKKKUBNDI-PXNSSMCTSA-N 0 1 376.453 1.262 20 0 GDADMN C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182409 950048178 /nfs/dbraw/zinc/04/81/78/950048178.db2.gz ZQJXSISDMODMKT-CHWSQXEVSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182741 950064840 /nfs/dbraw/zinc/06/48/40/950064840.db2.gz PDPBIAYDVNIIMF-TZMCWYRMSA-N 0 1 382.428 1.415 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cnccn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575894585 950101969 /nfs/dbraw/zinc/10/19/69/950101969.db2.gz FJPXTQZVRRUTKS-XJKSGUPXSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCOC1 ZINC001575582331 950112083 /nfs/dbraw/zinc/11/20/83/950112083.db2.gz IZTJHTKVMFDIJU-ZUMXRPEOSA-N 0 1 388.497 1.149 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCOC1 ZINC001575582331 950112097 /nfs/dbraw/zinc/11/20/97/950112097.db2.gz IZTJHTKVMFDIJU-ZUMXRPEOSA-N 0 1 388.497 1.149 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[n-]n5)s4)C[C@H]32)CCOC1 ZINC001575582331 950112110 /nfs/dbraw/zinc/11/21/10/950112110.db2.gz IZTJHTKVMFDIJU-ZUMXRPEOSA-N 0 1 388.497 1.149 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[n-]n5)s4)C[C@H]32)CCOC1 ZINC001575582331 950112124 /nfs/dbraw/zinc/11/21/24/950112124.db2.gz IZTJHTKVMFDIJU-ZUMXRPEOSA-N 0 1 388.497 1.149 20 0 GDADMN NC(=O)CSc1ccccc1NC(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262527473 950138728 /nfs/dbraw/zinc/13/87/28/950138728.db2.gz OXQCUBQQHFBDFE-CFVMTHIKSA-N 0 1 391.493 1.920 20 0 GDADMN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576184875 950141597 /nfs/dbraw/zinc/14/15/97/950141597.db2.gz XKVJOTQNXOSFPZ-LSDHHAIUSA-N 0 1 384.488 1.254 20 0 GDADMN CC1(C(=O)NC[C@]2(O)CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCC1 ZINC001575584243 950164676 /nfs/dbraw/zinc/16/46/76/950164676.db2.gz XHDMKKOTRXJLSQ-LJQANCHMSA-N 0 1 388.447 1.249 20 0 GDADMN CC(C)(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001573843351 950173637 /nfs/dbraw/zinc/17/36/37/950173637.db2.gz VMZFEVXQUVRAQL-IMRBUKKESA-N 0 1 384.488 1.670 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574159259 950300582 /nfs/dbraw/zinc/30/05/82/950300582.db2.gz VEAVCFWADBIOBS-WBOJAVRRSA-N 0 1 385.472 1.194 20 0 GDADMN C[C@@H]1[C@@H](NCc2ccncc2Cl)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908820 950379658 /nfs/dbraw/zinc/37/96/58/950379658.db2.gz FDFWBDNRTGBAHU-YGRLFVJLSA-N 0 1 386.847 1.636 20 0 GDADMN CC(C)CC1(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574162716 950400607 /nfs/dbraw/zinc/40/06/07/950400607.db2.gz HNGJBUIZWYNBHK-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574165528 950449617 /nfs/dbraw/zinc/44/96/17/950449617.db2.gz GKTDKAFNEOMLRI-HDJSIYSDSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N[C@@H]1CCc2c1c(F)ccc2F ZINC001574994484 950485240 /nfs/dbraw/zinc/48/52/40/950485240.db2.gz RXQPSEPBUBAPMA-LKFCYVNXSA-N 0 1 387.394 1.868 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573866455 950501313 /nfs/dbraw/zinc/50/13/13/950501313.db2.gz CRERJMVZJVGSFZ-OLZOCXBDSA-N 0 1 386.460 1.042 20 0 GDADMN C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC001576205505 950522613 /nfs/dbraw/zinc/52/26/13/950522613.db2.gz ZGANEUVGAHSJOB-QWHCGFSZSA-N 0 1 390.467 1.438 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1ccncc1-c1nn[nH]n1 ZINC001574753380 950522699 /nfs/dbraw/zinc/52/26/99/950522699.db2.gz LWLUZJMGRJRCKF-GFCCVEGCSA-N 0 1 379.424 1.191 20 0 GDADMN CC(C)CCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C1 ZINC001574170038 950530420 /nfs/dbraw/zinc/53/04/20/950530420.db2.gz DPHJKNTZSKCHFE-RRFJBIMHSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)cn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574998813 950557325 /nfs/dbraw/zinc/55/73/25/950557325.db2.gz ASCNVCKDYWJFDS-VIFPVBQESA-N 0 1 379.877 1.828 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)cn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574998813 950557342 /nfs/dbraw/zinc/55/73/42/950557342.db2.gz ASCNVCKDYWJFDS-VIFPVBQESA-N 0 1 379.877 1.828 20 0 GDADMN C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206344 950570582 /nfs/dbraw/zinc/57/05/82/950570582.db2.gz WVJAHKWGAHXZNU-QWHCGFSZSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206344 950570602 /nfs/dbraw/zinc/57/06/02/950570602.db2.gz WVJAHKWGAHXZNU-QWHCGFSZSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)cn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574999752 950588719 /nfs/dbraw/zinc/58/87/19/950588719.db2.gz MVKVOUOVLUHRQD-JTQLQIEISA-N 0 1 391.838 1.906 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)no1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575000430 950605697 /nfs/dbraw/zinc/60/56/97/950605697.db2.gz DCKRNDSJDPEYAK-MRVPVSSYSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)no1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575000430 950605712 /nfs/dbraw/zinc/60/57/12/950605712.db2.gz DCKRNDSJDPEYAK-MRVPVSSYSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574513570 950613274 /nfs/dbraw/zinc/61/32/74/950613274.db2.gz UJVGBRFTISVQNB-NWDGAFQWSA-N 0 1 384.419 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575002518 950665508 /nfs/dbraw/zinc/66/55/08/950665508.db2.gz UUFCTRWJLATVLN-MRVPVSSYSA-N 0 1 378.849 1.272 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573876291 950668575 /nfs/dbraw/zinc/66/85/75/950668575.db2.gz JSITXPOKTOCPJN-HUUCEWRRSA-N 0 1 398.515 1.801 20 0 GDADMN CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001589744872 950672081 /nfs/dbraw/zinc/67/20/81/950672081.db2.gz IQFXZEDZONMFGR-AUUYWEPGSA-N 0 1 399.488 1.068 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc2ccccc12 ZINC001575924345 950672499 /nfs/dbraw/zinc/67/24/99/950672499.db2.gz SBTRODPOKPDXNS-SMDDNHRTSA-N 0 1 390.407 1.540 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575924953 950675316 /nfs/dbraw/zinc/67/53/16/950675316.db2.gz GDUYMOCZAYGOJZ-MLGOLLRUSA-N 0 1 391.435 1.334 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccccc1C1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760710 950677449 /nfs/dbraw/zinc/67/74/49/950677449.db2.gz YIWJXRJBLDDTML-CYBMUJFWSA-N 0 1 392.467 1.919 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575925820 950692658 /nfs/dbraw/zinc/69/26/58/950692658.db2.gz VBOOAOYTLCZZDD-MLGOLLRUSA-N 0 1 390.451 1.282 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCc1ccccn1 ZINC001575926604 950712776 /nfs/dbraw/zinc/71/27/76/950712776.db2.gz XVMYSKBKRJJNJN-RHSMWYFYSA-N 0 1 392.467 1.503 20 0 GDADMN CC(C)CCC(=O)NC[C@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574181270 950738257 /nfs/dbraw/zinc/73/82/57/950738257.db2.gz KMKOOGHQAMKLOQ-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C)c1 ZINC001575927975 950768290 /nfs/dbraw/zinc/76/82/90/950768290.db2.gz WVLLFKZKWSBYFM-OCCSQVGLSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575928198 950776134 /nfs/dbraw/zinc/77/61/34/950776134.db2.gz ZRUCQOJPJLOICM-SCZZXKLOSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575928200 950777819 /nfs/dbraw/zinc/77/78/19/950777819.db2.gz ZRUCQOJPJLOICM-WPRPVWTQSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cnccn1 ZINC001575930165 950790587 /nfs/dbraw/zinc/79/05/87/950790587.db2.gz DTGUVDWTTYVBQP-YUMQZZPRSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCO1 ZINC001574523191 950809019 /nfs/dbraw/zinc/80/90/19/950809019.db2.gz MQJSRHPWYWXYCX-WDEREUQCSA-N 0 1 378.458 1.189 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCO1 ZINC001574523191 950809047 /nfs/dbraw/zinc/80/90/47/950809047.db2.gz MQJSRHPWYWXYCX-WDEREUQCSA-N 0 1 378.458 1.189 20 0 GDADMN C[C@H](CN(C)C[C@H](O)c1ccccc1F)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767990 950881332 /nfs/dbraw/zinc/88/13/32/950881332.db2.gz SGVOPPNLJPEQIB-BZNIZROVSA-N 0 1 387.419 1.118 20 0 GDADMN CC(C)(C)n1cc(CNc2nc(-c3nn[nH]n3)c(Cl)s2)c(=O)[nH]c1=O ZINC001573894529 950934480 /nfs/dbraw/zinc/93/44/80/950934480.db2.gz UYNNCOXPGPHQIL-UHFFFAOYSA-N 0 1 382.837 1.606 20 0 GDADMN C[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576228320 950938212 /nfs/dbraw/zinc/93/82/12/950938212.db2.gz HAFVNRDMWJSZSR-KBPBESRZSA-N 0 1 385.472 1.007 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576229380 950963054 /nfs/dbraw/zinc/96/30/54/950963054.db2.gz LZCYYOKWQFEOLC-RISCZKNCSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576229380 950963065 /nfs/dbraw/zinc/96/30/65/950963065.db2.gz LZCYYOKWQFEOLC-RISCZKNCSA-N 0 1 376.486 1.291 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573897820 950964467 /nfs/dbraw/zinc/96/44/67/950964467.db2.gz UAAWKZAOWZMEQA-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576229382 950966339 /nfs/dbraw/zinc/96/63/39/950966339.db2.gz LZCYYOKWQFEOLC-SMDDNHRTSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576229382 950966355 /nfs/dbraw/zinc/96/63/55/950966355.db2.gz LZCYYOKWQFEOLC-SMDDNHRTSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574530251 950972797 /nfs/dbraw/zinc/97/27/97/950972797.db2.gz ULFFDHOIIWMHOU-OLZOCXBDSA-N 0 1 381.440 1.654 20 0 GDADMN CC(C)(CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C1CC1 ZINC001573898145 950975191 /nfs/dbraw/zinc/97/51/91/950975191.db2.gz XZPQHRQGPATHGQ-OKILXGFUSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575019075 951029947 /nfs/dbraw/zinc/02/99/47/951029947.db2.gz QZCSFIOUILIECI-LURJTMIESA-N 0 1 380.821 1.308 20 0 GDADMN C[C@H](CNC(=O)c1ccc2cccnc2n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575025790 951132681 /nfs/dbraw/zinc/13/26/81/951132681.db2.gz AJXYFAKNXWMMNO-GFCCVEGCSA-N 0 1 389.423 1.460 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@@H]2CC[C@@H]2OC)c(C(=O)[O-])c1C ZINC001591425934 951135312 /nfs/dbraw/zinc/13/53/12/951135312.db2.gz KDFVJCVYRGBLAT-MNOVXSKESA-N 0 1 384.454 1.979 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@H]2OC)c(C(=O)[O-])c1C ZINC001591425934 951135321 /nfs/dbraw/zinc/13/53/21/951135321.db2.gz KDFVJCVYRGBLAT-MNOVXSKESA-N 0 1 384.454 1.979 20 0 GDADMN C[C@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575025933 951136894 /nfs/dbraw/zinc/13/68/94/951136894.db2.gz CYHMHZLUPNSBHD-MRVPVSSYSA-N 0 1 392.345 1.386 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575026759 951147801 /nfs/dbraw/zinc/14/78/01/951147801.db2.gz NBIPQHRCKQAEOL-LBPRGKRZSA-N 0 1 378.440 1.789 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(C(=O)[O-])c1C ZINC001591467312 951153684 /nfs/dbraw/zinc/15/36/84/951153684.db2.gz XRXKEOFONJQDPC-KRWDZBQOSA-N 0 1 397.453 1.067 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)c(C(=O)[O-])c1C ZINC001591467312 951153690 /nfs/dbraw/zinc/15/36/90/951153690.db2.gz XRXKEOFONJQDPC-KRWDZBQOSA-N 0 1 397.453 1.067 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575029392 951187869 /nfs/dbraw/zinc/18/78/69/951187869.db2.gz UIXYBYIVCMGLGJ-LBPRGKRZSA-N 0 1 379.424 1.097 20 0 GDADMN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C(=O)[O-])nn1C ZINC001591997961 951274698 /nfs/dbraw/zinc/27/46/98/951274698.db2.gz KPAPHKHPHQXRGV-CRAIPNDOSA-N 0 1 386.452 1.385 20 0 GDADMN C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575036046 951289280 /nfs/dbraw/zinc/28/92/80/951289280.db2.gz PJEROWMPIJQGGJ-GFCCVEGCSA-N 0 1 378.440 1.434 20 0 GDADMN C[C@H](CNC(=O)c1cn(C2CCC2)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575044232 951410756 /nfs/dbraw/zinc/41/07/56/951410756.db2.gz YBBOEQTXZGIMOT-SNVBAGLBSA-N 0 1 387.473 1.153 20 0 GDADMN C[C@H](CNC(=O)c1cn(C2CCC2)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575044232 951410763 /nfs/dbraw/zinc/41/07/63/951410763.db2.gz YBBOEQTXZGIMOT-SNVBAGLBSA-N 0 1 387.473 1.153 20 0 GDADMN CC(C)c1scnc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575067313 951608700 /nfs/dbraw/zinc/60/87/00/951608700.db2.gz RCZRQTNAHFGUNH-SNVBAGLBSA-N 0 1 387.473 1.137 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575088691 951741626 /nfs/dbraw/zinc/74/16/26/951741626.db2.gz AUVVELNXAQMQHY-GOSISDBHSA-N 0 1 388.497 1.649 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575088691 951741633 /nfs/dbraw/zinc/74/16/33/951741633.db2.gz AUVVELNXAQMQHY-GOSISDBHSA-N 0 1 388.497 1.649 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575089054 951745661 /nfs/dbraw/zinc/74/56/61/951745661.db2.gz CUTBGXKEGOZEJM-QGZVFWFLSA-N 0 1 390.469 1.191 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575089054 951745666 /nfs/dbraw/zinc/74/56/66/951745666.db2.gz CUTBGXKEGOZEJM-QGZVFWFLSA-N 0 1 390.469 1.191 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnns1 ZINC001575089152 951747365 /nfs/dbraw/zinc/74/73/65/951747365.db2.gz FDJNDMYRAOICHF-VIFPVBQESA-N 0 1 376.421 1.108 20 0 GDADMN C[C@@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098761 951825208 /nfs/dbraw/zinc/82/52/08/951825208.db2.gz GIZUPXAIYRVIEZ-GFCCVEGCSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)C1(C)CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098761 951825213 /nfs/dbraw/zinc/82/52/13/951825213.db2.gz GIZUPXAIYRVIEZ-GFCCVEGCSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575099836 951839144 /nfs/dbraw/zinc/83/91/44/951839144.db2.gz PDQMMFBAXSFLDE-SJCJKPOMSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575099836 951839151 /nfs/dbraw/zinc/83/91/51/951839151.db2.gz PDQMMFBAXSFLDE-SJCJKPOMSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncnc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099937 951842006 /nfs/dbraw/zinc/84/20/06/951842006.db2.gz QNGHOMDNFWDFPM-GFCCVEGCSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncnc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099937 951842013 /nfs/dbraw/zinc/84/20/13/951842013.db2.gz QNGHOMDNFWDFPM-GFCCVEGCSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575100920 951849133 /nfs/dbraw/zinc/84/91/33/951849133.db2.gz WQFXIDLAKHYWIM-QWHCGFSZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575100920 951849143 /nfs/dbraw/zinc/84/91/43/951849143.db2.gz WQFXIDLAKHYWIM-QWHCGFSZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccnc(F)c1 ZINC001575101528 951862685 /nfs/dbraw/zinc/86/26/85/951862685.db2.gz GNDOFHPUZZMSGR-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccnc(F)c1 ZINC001575101528 951862690 /nfs/dbraw/zinc/86/26/90/951862690.db2.gz GNDOFHPUZZMSGR-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575133178 952102698 /nfs/dbraw/zinc/10/26/98/952102698.db2.gz BWBLRENEOSNADI-LJMKFJKQSA-N 0 1 388.451 1.304 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575137457 952139392 /nfs/dbraw/zinc/13/93/92/952139392.db2.gz ZMTPNPLAPCIVGU-HWPZZCPQSA-N 0 1 392.414 1.211 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575142793 952148045 /nfs/dbraw/zinc/14/80/45/952148045.db2.gz LUSQLVKDIKBJFP-GFCCVEGCSA-N 0 1 384.419 1.109 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001575143637 952156765 /nfs/dbraw/zinc/15/67/65/952156765.db2.gz QFTAKVIGMPKYFS-TTZDDIAXSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001575144473 952167961 /nfs/dbraw/zinc/16/79/61/952167961.db2.gz ISBPDUZXCLMKRI-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCc2cccnc21 ZINC001575144733 952170922 /nfs/dbraw/zinc/17/09/22/952170922.db2.gz KVCCMNQCQUYASQ-ZFWWWQNUSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575144851 952173466 /nfs/dbraw/zinc/17/34/66/952173466.db2.gz YHUVFLCBDQXLAT-NSHDSACASA-N 0 1 386.847 1.234 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)Oc1ccccc1Br ZINC001575145529 952185854 /nfs/dbraw/zinc/18/58/54/952185854.db2.gz ZJRKTAOTKIEOCF-SECBINFHSA-N 0 1 376.218 1.721 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cn(C)cn1 ZINC001575164217 952288647 /nfs/dbraw/zinc/28/86/47/952288647.db2.gz CAZLNARPBDXEKR-ZETCQYMHSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnn(C)c1 ZINC001575165112 952304676 /nfs/dbraw/zinc/30/46/76/952304676.db2.gz LHQFNTODNOZJNN-SSDOTTSWSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575187172 952437720 /nfs/dbraw/zinc/43/77/20/952437720.db2.gz ADFPAPSDELEBTK-QWHCGFSZSA-N 0 1 383.431 1.618 20 0 GDADMN C[C@@H](Cc1ccccc1F)C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001575188099 952445921 /nfs/dbraw/zinc/44/59/21/952445921.db2.gz HMDRJGZLLNBCSV-ZDUSSCGKSA-N 0 1 383.431 1.572 20 0 GDADMN C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575190519 952463094 /nfs/dbraw/zinc/46/30/94/952463094.db2.gz TVSYHKABUJIQRG-GFCCVEGCSA-N 0 1 384.419 1.227 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1ccncc1-c1nn[nH]n1 ZINC001575196239 952475025 /nfs/dbraw/zinc/47/50/25/952475025.db2.gz GDEJTLAKNOVXOA-GUYCJALGSA-N 0 1 383.456 1.708 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575200279 952493884 /nfs/dbraw/zinc/49/38/84/952493884.db2.gz BZOYNSRZNBMFIK-CYBMUJFWSA-N 0 1 380.456 1.111 20 0 GDADMN CC(C)COC[C@H](O)CNC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001571120216 952500251 /nfs/dbraw/zinc/50/02/51/952500251.db2.gz JMRWUCQSUYCWOM-SSDOTTSWSA-N 0 1 375.842 1.132 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575201786 952507210 /nfs/dbraw/zinc/50/72/10/952507210.db2.gz QKWPWYJANWZMAG-SGMGOOAPSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575201787 952507579 /nfs/dbraw/zinc/50/75/79/952507579.db2.gz QKWPWYJANWZMAG-YRGRVCCFSA-N 0 1 381.444 1.170 20 0 GDADMN O=c1ccc(-c2nn[nH]n2)cn1Cc1cc2c(c(Br)c1)OCO2 ZINC001571120988 952512553 /nfs/dbraw/zinc/51/25/53/952512553.db2.gz TZMDWNSCLKPLSA-UHFFFAOYSA-N 0 1 376.170 1.568 20 0 GDADMN CO[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571122362 952525498 /nfs/dbraw/zinc/52/54/98/952525498.db2.gz IYEDPZBYXLNPHW-YVLXSGLVSA-N 0 1 376.486 1.290 20 0 GDADMN CO[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571122362 952525502 /nfs/dbraw/zinc/52/55/02/952525502.db2.gz IYEDPZBYXLNPHW-YVLXSGLVSA-N 0 1 376.486 1.290 20 0 GDADMN CC[C@@H](SC)C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001571122816 952526361 /nfs/dbraw/zinc/52/63/61/952526361.db2.gz LZQFJYAAVRNMEF-NWDGAFQWSA-N 0 1 376.490 1.226 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123745 952532680 /nfs/dbraw/zinc/53/26/80/952532680.db2.gz VSANNKJNAXRDCI-VXGBXAGGSA-N 0 1 376.486 1.312 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123745 952532685 /nfs/dbraw/zinc/53/26/85/952532685.db2.gz VSANNKJNAXRDCI-VXGBXAGGSA-N 0 1 376.486 1.312 20 0 GDADMN O=C(Cc1ccccc1)N[C@@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571128065 952562466 /nfs/dbraw/zinc/56/24/66/952562466.db2.gz OLPAMVOKVDWHHA-JKSUJKDBSA-N 0 1 377.452 1.623 20 0 GDADMN Cc1ccccc1C(=O)NC1CCN(Cc2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001571128972 952572064 /nfs/dbraw/zinc/57/20/64/952572064.db2.gz ZYUPNRQBCILKHQ-UHFFFAOYSA-N 0 1 377.452 1.965 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001571129339 952574007 /nfs/dbraw/zinc/57/40/07/952574007.db2.gz CNDVFNBGPKZZPG-QWRGUYRKSA-N 0 1 378.387 1.129 20 0 GDADMN Cc1cccc(C)c1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571133961 952583595 /nfs/dbraw/zinc/58/35/95/952583595.db2.gz AEBZICIWKOECDU-CQSZACIVSA-N 0 1 378.440 1.412 20 0 GDADMN Cc1cc(C)cc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134221 952587724 /nfs/dbraw/zinc/58/77/24/952587724.db2.gz CEBOUFHKWGMPJV-UHFFFAOYSA-N 0 1 378.440 1.316 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C)nc1C ZINC001571134323 952588455 /nfs/dbraw/zinc/58/84/55/952588455.db2.gz HNBDNMQDVVACED-DZGCQCFKSA-N 0 1 378.440 1.411 20 0 GDADMN CCN(C(=O)c1cnccn1)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134580 952592984 /nfs/dbraw/zinc/59/29/84/952592984.db2.gz HGYKAYPHOKZNAW-INIZCTEOSA-N 0 1 378.440 1.393 20 0 GDADMN CCCc1ccccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571134971 952597693 /nfs/dbraw/zinc/59/76/93/952597693.db2.gz ODVRKXRBGLKJRI-CQSZACIVSA-N 0 1 378.440 1.618 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571135343 952602325 /nfs/dbraw/zinc/60/23/25/952602325.db2.gz UKZXZKCZBSLDOF-UKRRQHHQSA-N 0 1 378.440 1.285 20 0 GDADMN Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@@H]3C2)o1 ZINC001571137005 952618120 /nfs/dbraw/zinc/61/81/20/952618120.db2.gz ZLBJUCAMOTUHTH-CALCHBBNSA-N 0 1 378.436 1.972 20 0 GDADMN C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571140256 952624892 /nfs/dbraw/zinc/62/48/92/952624892.db2.gz PGYRGVRWEKKINI-VXGBXAGGSA-N 0 1 379.415 1.777 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)c1cccnc1 ZINC001571140381 952625375 /nfs/dbraw/zinc/62/53/75/952625375.db2.gz QIGDERVIENUSDS-QLPKVWCKSA-N 0 1 379.399 1.261 20 0 GDADMN Cc1ocnc1C(=O)N1CC[C@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571142084 952638814 /nfs/dbraw/zinc/63/88/14/952638814.db2.gz OYHVYYKEAHMJBE-JKSUJKDBSA-N 0 1 379.424 1.510 20 0 GDADMN O=C([C@H]1CC12CC2)N1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571154177 952689409 /nfs/dbraw/zinc/68/94/09/952689409.db2.gz ZBDUTFPAZOHWJJ-SECBINFHSA-N 0 1 379.877 1.815 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]2CN(C)c2ccncc2-c2nn[nH]n2)cnn1 ZINC001571156029 952700783 /nfs/dbraw/zinc/70/07/83/952700783.db2.gz BASWSGBXJKNMJK-CQSZACIVSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cccnc1C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571156672 952703464 /nfs/dbraw/zinc/70/34/64/952703464.db2.gz GRXOWWPSDYSJCD-ZDUSSCGKSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cnc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cn1 ZINC001571158135 952710372 /nfs/dbraw/zinc/71/03/72/952710372.db2.gz RXSAFQGVPPDMMU-CYBMUJFWSA-N 0 1 379.428 1.019 20 0 GDADMN O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571160520 952726302 /nfs/dbraw/zinc/72/63/02/952726302.db2.gz IUBXWCYTZQYUFJ-GFCCVEGCSA-N 0 1 380.412 1.266 20 0 GDADMN O=C(Cc1ccccc1)N[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571166728 952763723 /nfs/dbraw/zinc/76/37/23/952763723.db2.gz PDNZARGTPYEQLT-QGZVFWFLSA-N 0 1 380.427 1.939 20 0 GDADMN CCc1[nH]ccc1C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571167221 952771377 /nfs/dbraw/zinc/77/13/77/952771377.db2.gz YUNJFEXCSWHGDI-CYBMUJFWSA-N 0 1 380.456 1.859 20 0 GDADMN Cc1[nH]ccc1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001571169428 952773530 /nfs/dbraw/zinc/77/35/30/952773530.db2.gz CEVVCYZIYGTHIM-BBRMVZONSA-N 0 1 380.456 1.994 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)Cc3ccc[nH]3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169544 952774710 /nfs/dbraw/zinc/77/47/10/952774710.db2.gz GNLSURUAVAHPAN-UKRRQHHQSA-N 0 1 380.456 1.614 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)c(C)[nH]1 ZINC001571169629 952776060 /nfs/dbraw/zinc/77/60/60/952776060.db2.gz IPPSQDAHAAYYSV-AWEZNQCLSA-N 0 1 380.456 1.914 20 0 GDADMN CN(C)c1cccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571169905 952780177 /nfs/dbraw/zinc/78/01/77/952780177.db2.gz QEFONBNSRUNBAW-CQSZACIVSA-N 0 1 380.456 1.265 20 0 GDADMN Cc1cnn(CC(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001571170143 952783811 /nfs/dbraw/zinc/78/38/11/952783811.db2.gz UDOHLGYZLBOTEN-QGZVFWFLSA-N 0 1 380.456 1.152 20 0 GDADMN Cc1cn(C)nc1C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170595 952786652 /nfs/dbraw/zinc/78/66/52/952786652.db2.gz XEGHKQBSTLJHKZ-OAHLLOKOSA-N 0 1 380.456 1.303 20 0 GDADMN O=C([C@@H]1CC12CCC2)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571171551 952793826 /nfs/dbraw/zinc/79/38/26/952793826.db2.gz BTDJNWCYBNNAHC-UGSOOPFHSA-N 0 1 380.456 1.276 20 0 GDADMN O=C(c1ccon1)N1CCC[C@@H]1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571172047 952801814 /nfs/dbraw/zinc/80/18/14/952801814.db2.gz LEDSRTFOVDBKII-SSDOTTSWSA-N 0 1 380.821 1.681 20 0 GDADMN O=C(C1CC2(CC2)C1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571172395 952806657 /nfs/dbraw/zinc/80/66/57/952806657.db2.gz UUPCXJYTUFLBFA-GXTWGEPZSA-N 0 1 380.456 1.274 20 0 GDADMN O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571172840 952810314 /nfs/dbraw/zinc/81/03/14/952810314.db2.gz YXTWXAJKXMFTGT-XQLPTFJDSA-N 0 1 380.456 1.273 20 0 GDADMN Cc1ccc(CC(=O)N2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)o1 ZINC001571180236 952858697 /nfs/dbraw/zinc/85/86/97/952858697.db2.gz MXHOLPPRGWRFFN-AWEZNQCLSA-N 0 1 381.440 1.621 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)Cc3ccco3)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180194 952859025 /nfs/dbraw/zinc/85/90/25/952859025.db2.gz MJSCNZKTNIUPFN-UONOGXRCSA-N 0 1 381.440 1.879 20 0 GDADMN CCc1ocnc1C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182713 952866928 /nfs/dbraw/zinc/86/69/28/952866928.db2.gz CLKQJMSPERHROJ-AWEZNQCLSA-N 0 1 381.440 1.812 20 0 GDADMN COc1cccc(CN2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1C ZINC001571182974 952872296 /nfs/dbraw/zinc/87/22/96/952872296.db2.gz LCAYPMLHUJAPDT-HNNXBMFYSA-N 0 1 381.440 1.516 20 0 GDADMN COc1ccc(CN2CCC[C@@H](NC(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571183203 952874988 /nfs/dbraw/zinc/87/49/88/952874988.db2.gz SIANWRAAXAAFCK-CQSZACIVSA-N 0 1 381.440 1.598 20 0 GDADMN C[C@H]1CN(C(=O)CCc2cnc[nH]2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001571184219 952889334 /nfs/dbraw/zinc/88/93/34/952889334.db2.gz UCVORXJRAWLYJC-WFASDCNBSA-N 0 1 381.444 1.267 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2C[C@H](C)N(C(=O)CCc3cnc[nH]3)C2)n1 ZINC001571187768 952910430 /nfs/dbraw/zinc/91/04/30/952910430.db2.gz BUQLGHLERUACPW-JSGCOSHPSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[nH]n4)c(C)n3)C2)n[nH]1 ZINC001571188415 952914608 /nfs/dbraw/zinc/91/46/08/952914608.db2.gz KKNOEOOOEVEWMG-ZDUSSCGKSA-N 0 1 381.444 1.566 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)n1C ZINC001571189376 952929799 /nfs/dbraw/zinc/92/97/99/952929799.db2.gz VUWJMWRPXAFTRW-QWHCGFSZSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571190099 952939952 /nfs/dbraw/zinc/93/99/52/952939952.db2.gz FFNZOYNXTNQNIQ-LSPIHWNJSA-N 0 1 381.484 1.626 20 0 GDADMN Cc1cc(NCC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571191736 952947793 /nfs/dbraw/zinc/94/77/93/952947793.db2.gz RWXNHDFYPXWQJR-CWRNSKLLSA-N 0 1 381.484 1.689 20 0 GDADMN CCCc1nc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)co1 ZINC001571199785 953005394 /nfs/dbraw/zinc/00/53/94/953005394.db2.gz BWXCFXFBTFPPEO-GFCCVEGCSA-N 0 1 382.428 1.198 20 0 GDADMN CCCc1cc(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)no1 ZINC001571200000 953006528 /nfs/dbraw/zinc/00/65/28/953006528.db2.gz GVMCDAAQHMTICF-TXEJJXNPSA-N 0 1 382.428 1.305 20 0 GDADMN COc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC34CC4)C2)cc1-c1nn[nH]n1 ZINC001571210664 953073954 /nfs/dbraw/zinc/07/39/54/953073954.db2.gz VLLRZKGNXCLZEX-ZBFHGGJFSA-N 0 1 382.468 1.756 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571212861 953091428 /nfs/dbraw/zinc/09/14/28/953091428.db2.gz NQDCKANTOKQDEJ-POQQGIQPSA-N 0 1 382.472 1.565 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C1CC1 ZINC001571213225 953093196 /nfs/dbraw/zinc/09/31/96/953093196.db2.gz PVJQPGBVTOJLTD-ORAYPTAESA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@]1(CNc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001571214035 953098162 /nfs/dbraw/zinc/09/81/62/953098162.db2.gz VNPLZVPDGBFNEF-ACJLOTCBSA-N 0 1 382.472 1.309 20 0 GDADMN O=C(c1nccs1)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571217709 953111039 /nfs/dbraw/zinc/11/10/39/953111039.db2.gz IYIRIXPODLUVKS-UHFFFAOYSA-N 0 1 382.862 1.396 20 0 GDADMN O=C([C@@H]1CCCC2(CC2)C1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571219099 953122223 /nfs/dbraw/zinc/12/22/23/953122223.db2.gz VCOLNBRUSHIZMP-ZIAGYGMSSA-N 0 1 382.472 1.452 20 0 GDADMN Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCCO3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232943 953190154 /nfs/dbraw/zinc/19/01/54/953190154.db2.gz MORDCWHHDUOXGM-CRFBAAHOSA-N 0 1 383.456 1.224 20 0 GDADMN CCc1cc(C(=O)N2CC[C@H](N(C)c3cccc(F)c3-c3nn[nH]n3)C2)n[nH]1 ZINC001571239966 953244428 /nfs/dbraw/zinc/24/44/28/953244428.db2.gz VZKDHAGOLQYUIC-LBPRGKRZSA-N 0 1 384.419 1.642 20 0 GDADMN O=C(CCN1CC[C@@H](F)C1)Nc1cnn(Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571241490 953246523 /nfs/dbraw/zinc/24/65/23/953246523.db2.gz AWDSXYLDIYWWKZ-OAHLLOKOSA-N 0 1 384.419 1.484 20 0 GDADMN CSc1ccc(N2C[C@@H](C(=O)Nc3c[nH]nc3-c3nn[nH]n3)CC2=O)cc1 ZINC001571242046 953251856 /nfs/dbraw/zinc/25/18/56/953251856.db2.gz UPDDOMCUVIIGFP-VIFPVBQESA-N 0 1 384.425 1.303 20 0 GDADMN CCc1sc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1C ZINC001571244575 953265209 /nfs/dbraw/zinc/26/52/09/953265209.db2.gz BHVYLIPBSCVBLR-NSHDSACASA-N 0 1 384.469 1.598 20 0 GDADMN Cc1nc(C)c(CC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)s1 ZINC001571244791 953267516 /nfs/dbraw/zinc/26/75/16/953267516.db2.gz IVVWKAURPGBUTL-GFCCVEGCSA-N 0 1 384.469 1.012 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cccs2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571244927 953268035 /nfs/dbraw/zinc/26/80/35/953268035.db2.gz AEHRFJRRPJIPPW-RYUDHWBXSA-N 0 1 384.469 1.493 20 0 GDADMN CCc1ncsc1C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571245304 953272535 /nfs/dbraw/zinc/27/25/35/953272535.db2.gz RLOMJHSQHGXGCN-NSHDSACASA-N 0 1 384.469 1.537 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245470 953273703 /nfs/dbraw/zinc/27/37/03/953273703.db2.gz IZEMWRNDHMLVJO-NNPSNHGLSA-N 0 1 384.459 1.844 20 0 GDADMN CCN(C(=O)c1ccsc1C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571245726 953276104 /nfs/dbraw/zinc/27/61/04/953276104.db2.gz YMVRJMPQPLSNGI-LBPRGKRZSA-N 0 1 384.469 1.768 20 0 GDADMN Cc1scc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571248604 953295061 /nfs/dbraw/zinc/29/50/61/953295061.db2.gz WHNHOGUSAAOPDF-LBPRGKRZSA-N 0 1 384.469 1.591 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@H](NC(=O)[C@@H]3CCCN3C)CC2)n1 ZINC001571251953 953321429 /nfs/dbraw/zinc/32/14/29/953321429.db2.gz CLLOUOFKMIRCBE-HOCLYGCPSA-N 0 1 384.488 1.139 20 0 GDADMN Cc1nc(N2C[C@@H](NC(=O)CN3CCCC3)CC[C@@H]2C)ccc1-c1nn[nH]n1 ZINC001571252322 953326688 /nfs/dbraw/zinc/32/66/88/953326688.db2.gz LANZULVUERLFGP-ZFWWWQNUSA-N 0 1 384.488 1.139 20 0 GDADMN O=C([O-])c1ccnc(NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001594756782 953464762 /nfs/dbraw/zinc/46/47/62/953464762.db2.gz AYYPAGSXBSCRCY-UHFFFAOYSA-N 0 1 384.440 1.509 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564965984 953607623 /nfs/dbraw/zinc/60/76/23/953607623.db2.gz VKVDSALHWUTDDR-KLHDSHLOSA-N 0 1 376.453 1.716 20 0 GDADMN COC[C@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000566360694 953625823 /nfs/dbraw/zinc/62/58/23/953625823.db2.gz ZTDLAPXWBUKVIO-BBRMVZONSA-N 0 1 377.359 1.868 20 0 GDADMN O=C([O-])C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000571925384 953666407 /nfs/dbraw/zinc/66/64/07/953666407.db2.gz AMYXKEVDUJPENI-UHFFFAOYSA-N 0 1 381.432 1.911 20 0 GDADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000582845067 953725533 /nfs/dbraw/zinc/72/55/33/953725533.db2.gz DCSFNYJLFSJYPF-QWHCGFSZSA-N 0 1 383.470 1.061 20 0 GDADMN C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(C(=O)[O-])cn3)cc2)CC1 ZINC000615190808 953788476 /nfs/dbraw/zinc/78/84/76/953788476.db2.gz WVZFBWJGKPJUNH-UHFFFAOYSA-N 0 1 382.420 1.349 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000626757589 953812565 /nfs/dbraw/zinc/81/25/65/953812565.db2.gz ZYVZLRCIOCGNMV-BRWVUGGUSA-N 0 1 389.500 1.344 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629502562 953832468 /nfs/dbraw/zinc/83/24/68/953832468.db2.gz RJUZEEDLSFEDMB-BZUAXINKSA-N 0 1 375.469 1.472 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000635020185 953873160 /nfs/dbraw/zinc/87/31/60/953873160.db2.gz IPEYPZCJFIJBAY-VQIMIIECSA-N 0 1 380.416 1.149 20 0 GDADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)C1 ZINC000635020671 953873469 /nfs/dbraw/zinc/87/34/69/953873469.db2.gz QHVQIIBTBBMVKI-AVYPCKFXSA-N 0 1 392.452 1.096 20 0 GDADMN COC[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000635020672 953875209 /nfs/dbraw/zinc/87/52/09/953875209.db2.gz QHVQIIBTBBMVKI-MDOVXXIYSA-N 0 1 392.452 1.096 20 0 GDADMN Cc1c[nH+]ccc1OC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000646168476 953943719 /nfs/dbraw/zinc/94/37/19/953943719.db2.gz GXPMXMHAAPNSTM-UHFFFAOYSA-N 0 1 377.441 1.824 20 0 GDADMN O=C([O-])Cn1cnc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000647783900 953983087 /nfs/dbraw/zinc/98/30/87/953983087.db2.gz DSJCIOVAMQTGOR-INIZCTEOSA-N 0 1 397.357 1.756 20 0 GDADMN CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCCC[C@H]2CC(=O)[O-])ccc1C ZINC000650504247 954018364 /nfs/dbraw/zinc/01/83/64/954018364.db2.gz FASOAYZWVAAVFC-AWEZNQCLSA-N 0 1 383.470 1.171 20 0 GDADMN C[C@H]1CN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC[C@@H]1C(=O)[O-] ZINC001589375251 954247955 /nfs/dbraw/zinc/24/79/55/954247955.db2.gz LRDSSLFVBVYHNQ-ZFWWWQNUSA-N 0 1 383.489 1.545 20 0 GDADMN C[N@@H+](CCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)C1CCCCC1 ZINC001593728420 954301333 /nfs/dbraw/zinc/30/13/33/954301333.db2.gz KNOCSGHXHXTHGP-HNNXBMFYSA-N 0 1 379.501 1.565 20 0 GDADMN C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCC3(C(=O)[O-])CCC3)c2)CCO1 ZINC000659395099 954320893 /nfs/dbraw/zinc/32/08/93/954320893.db2.gz HXUKZLBWYLSFCY-HNNXBMFYSA-N 0 1 375.469 1.961 20 0 GDADMN C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC3(C(=O)[O-])CCC3)c2)CCO1 ZINC000659395099 954320906 /nfs/dbraw/zinc/32/09/06/954320906.db2.gz HXUKZLBWYLSFCY-HNNXBMFYSA-N 0 1 375.469 1.961 20 0 GDADMN O=C([O-])C1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CCC1 ZINC000659420282 954344062 /nfs/dbraw/zinc/34/40/62/954344062.db2.gz CKMVWQMVYBIVJM-DLBZAZTESA-N 0 1 375.469 1.424 20 0 GDADMN C[N@@H+](CCCC(=O)[O-])C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001593745864 954382575 /nfs/dbraw/zinc/38/25/75/954382575.db2.gz HKXVRXGZWQLPOC-HNNXBMFYSA-N 0 1 388.386 1.964 20 0 GDADMN CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001593750916 954407530 /nfs/dbraw/zinc/40/75/30/954407530.db2.gz KVYNODZTXPIGKG-IRXDYDNUSA-N 0 1 388.468 1.149 20 0 GDADMN C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000663103548 954489892 /nfs/dbraw/zinc/48/98/92/954489892.db2.gz BQUITXXGLDCGGX-INIZCTEOSA-N 0 1 375.469 1.437 20 0 GDADMN O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001594896122 954566548 /nfs/dbraw/zinc/56/65/48/954566548.db2.gz MJXXYUSADWWDBP-AVGNSLFASA-N 0 1 394.390 1.658 20 0 GDADMN O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001594896122 954566556 /nfs/dbraw/zinc/56/65/56/954566556.db2.gz MJXXYUSADWWDBP-AVGNSLFASA-N 0 1 394.390 1.658 20 0 GDADMN CN1CCN(C(C)(C)C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001593781450 954671960 /nfs/dbraw/zinc/67/19/60/954671960.db2.gz YWSCBQLDIXYIEC-MRXNPFEDSA-N 0 1 378.517 1.696 20 0 GDADMN COC(=O)[C@H](c1cccc(OC)c1)[N@@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001593819481 955017368 /nfs/dbraw/zinc/01/73/68/955017368.db2.gz IYOSWKVSKKRJEX-KRSSAMQESA-N 0 1 391.420 1.495 20 0 GDADMN 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COc1ccccc1C[C@](C)(CO)NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000931603837 1126136745 /nfs/dbraw/zinc/13/67/45/1126136745.db2.gz VXPQXTFFJCURFQ-GOSISDBHSA-N 0 1 382.482 1.622 20 0 GDADMN COc1ccc(C[C@@](C)(CO)NCc2nnnn2-c2ccccc2)cc1OC ZINC000933442517 1126142095 /nfs/dbraw/zinc/14/20/95/1126142095.db2.gz IOFJAFQYUYARGB-FQEVSTJZSA-N 0 1 383.452 1.763 20 0 GDADMN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC001261845637 1126161061 /nfs/dbraw/zinc/16/10/61/1126161061.db2.gz JGQRIFLHNRQXLM-ZDUSSCGKSA-N 0 1 398.320 1.865 20 0 GDADMN Cc1cc(C)n2c(CNCCN(C)S(=O)(=O)c3cccs3)cnc2n1 ZINC000158336049 530532164 /nfs/dbraw/zinc/53/21/64/530532164.db2.gz KINQUZWJHQFQJT-UHFFFAOYSA-N 0 1 379.511 1.818 20 0 GDADMN CN(C)C1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000158410027 530532650 /nfs/dbraw/zinc/53/26/50/530532650.db2.gz OXGUXYZOJJNYFM-HNNXBMFYSA-N 0 1 380.286 1.826 20 0 GDADMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1 ZINC000158775974 530535947 /nfs/dbraw/zinc/53/59/47/530535947.db2.gz SPIWTRPXIPYSNK-LBPRGKRZSA-N 0 1 380.495 1.625 20 0 GDADMN O=S(=O)(NC[C@@H](O)CN1CCCCC1)c1ccccc1OC(F)(F)F ZINC000158916294 530537319 /nfs/dbraw/zinc/53/73/19/530537319.db2.gz GVTNTNAREKQLOL-GFCCVEGCSA-N 0 1 382.404 1.710 20 0 GDADMN O=C(NCCNS(=O)(=O)c1cc(F)c(Br)cc1F)C1CC1 ZINC000162011208 530565011 /nfs/dbraw/zinc/56/50/11/530565011.db2.gz HQAOQFYQNVACDQ-UHFFFAOYSA-N 0 1 383.214 1.532 20 0 GDADMN CS(=O)(=O)CCNS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000162191783 530566354 /nfs/dbraw/zinc/56/63/54/530566354.db2.gz IQUGYMCTVUYHJF-UHFFFAOYSA-N 0 1 378.216 1.050 20 0 GDADMN Cc1[nH]ncc1CN1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000162395513 530567935 /nfs/dbraw/zinc/56/79/35/530567935.db2.gz KVPOUUXJOOEIIY-UHFFFAOYSA-N 0 1 378.483 1.951 20 0 GDADMN O=S(=O)(NC[C@@]1(O)CCSC1)c1cc(F)c(Br)cc1F ZINC000162878222 530571518 /nfs/dbraw/zinc/57/15/18/530571518.db2.gz VDKLXJCFZSCYAG-NSHDSACASA-N 0 1 388.255 1.874 20 0 GDADMN O=C(CSc1nc(C2CC2)n[nH]1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000022239674 530572080 /nfs/dbraw/zinc/57/20/80/530572080.db2.gz UWZYTAHVCACFEC-CYBMUJFWSA-N 0 1 384.527 1.733 20 0 GDADMN O=C(CSc1n[nH]c(C2CC2)n1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000022239674 530572082 /nfs/dbraw/zinc/57/20/82/530572082.db2.gz UWZYTAHVCACFEC-CYBMUJFWSA-N 0 1 384.527 1.733 20 0 GDADMN CN(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1)c1ccsc1 ZINC000025329220 530581066 /nfs/dbraw/zinc/58/10/66/530581066.db2.gz ZVMIELOFSAOOTL-MRXNPFEDSA-N 0 1 381.523 1.836 20 0 GDADMN O[C@@H](CNCc1cncnc1)COc1ccc(I)cc1 ZINC000171136182 530595003 /nfs/dbraw/zinc/59/50/03/530595003.db2.gz ACRGZXDFZOHEIM-ZDUSSCGKSA-N 0 1 385.205 1.611 20 0 GDADMN CN(Cc1nnc[nH]1)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000172620871 530615335 /nfs/dbraw/zinc/61/53/35/530615335.db2.gz BMJWRNMKTSJPKP-JTQLQIEISA-N 0 1 378.230 1.579 20 0 GDADMN NC(=O)c1cccc(CCN[C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000171759001 530602666 /nfs/dbraw/zinc/60/26/66/530602666.db2.gz JOAVISMVKOUEHW-OAHLLOKOSA-N 0 1 376.254 1.907 20 0 GDADMN CN(C)[C@H](CNC(=O)Cc1ccc(S(N)(=O)=O)s1)c1cccc(F)c1 ZINC000032731690 530609123 /nfs/dbraw/zinc/60/91/23/530609123.db2.gz SYGAKFATHWJABO-CQSZACIVSA-N 0 1 385.486 1.496 20 0 GDADMN CCCOc1c(Br)cc(CNCCNS(C)(=O)=O)cc1OC ZINC000042216496 530628005 /nfs/dbraw/zinc/62/80/05/530628005.db2.gz UJXQKNQPJJFNDK-UHFFFAOYSA-N 0 1 395.319 1.885 20 0 GDADMN COc1ccnc(N2CCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)c1 ZINC000173545102 530632952 /nfs/dbraw/zinc/63/29/52/530632952.db2.gz RXUMZWVVECPNQE-UHFFFAOYSA-N 0 1 393.241 1.503 20 0 GDADMN NS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2OCC(F)(F)F)C1 ZINC000173713385 530635354 /nfs/dbraw/zinc/63/53/54/530635354.db2.gz AJNHDRRMQSSEDO-GFCCVEGCSA-N 0 1 381.420 1.633 20 0 GDADMN Cn1nc2c(cc1=O)CN(C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000172791219 530617643 /nfs/dbraw/zinc/61/76/43/530617643.db2.gz ZQHNIEOFZODZOO-CQSZACIVSA-N 0 1 394.269 1.341 20 0 GDADMN Cn1c(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000040817957 530620031 /nfs/dbraw/zinc/62/00/31/530620031.db2.gz YWXIDLBCSGUYDR-UHFFFAOYSA-N 0 1 380.813 1.086 20 0 GDADMN C[C@H](c1ccc(Br)cc1)N1CCN(CCC(=O)NC(N)=O)CC1 ZINC000174793582 530654389 /nfs/dbraw/zinc/65/43/89/530654389.db2.gz BWVLNTMIUJVKHK-GFCCVEGCSA-N 0 1 383.290 1.713 20 0 GDADMN O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000047509262 530660036 /nfs/dbraw/zinc/66/00/36/530660036.db2.gz ACCCBHFELGGTIG-UHFFFAOYSA-N 0 1 384.874 1.579 20 0 GDADMN Cc1c(Br)cccc1S(=O)(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000175275348 530662702 /nfs/dbraw/zinc/66/27/02/530662702.db2.gz OANMCHDGMGQOTA-LBPRGKRZSA-N 0 1 390.347 1.672 20 0 GDADMN CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178408815 530720121 /nfs/dbraw/zinc/72/01/21/530720121.db2.gz OSZLQJGIDPYONV-XMMPIXPASA-N 0 1 382.507 1.582 20 0 GDADMN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000177560698 530705400 /nfs/dbraw/zinc/70/54/00/530705400.db2.gz KMQSUBQLFKOPFO-CYBMUJFWSA-N 0 1 385.511 1.933 20 0 GDADMN CSCC[C@H]1NC(=S)N(Cc2ccnc(N3CCN(C)CC3)c2)C1=O ZINC000055178971 530705690 /nfs/dbraw/zinc/70/56/90/530705690.db2.gz KGSPFVSXZDLAMZ-CQSZACIVSA-N 0 1 379.555 1.172 20 0 GDADMN CSc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1Cl ZINC000177566606 530705732 /nfs/dbraw/zinc/70/57/32/530705732.db2.gz GFXGVJFETFEHAK-LBPRGKRZSA-N 0 1 384.933 1.753 20 0 GDADMN COC(=O)COc1ccc(S(=O)(=O)Nc2ccsc2C(=O)OC)cc1 ZINC000055573108 530709667 /nfs/dbraw/zinc/70/96/67/530709667.db2.gz ZUUMBGRSLKFPOE-UHFFFAOYSA-N 0 1 385.419 1.887 20 0 GDADMN N[C@@H](C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000178022472 530714791 /nfs/dbraw/zinc/71/47/91/530714791.db2.gz SUIJILJGZRGGNK-MRXNPFEDSA-N 0 1 379.507 1.717 20 0 GDADMN CC[C@@H](C)NC(=O)CS(=O)(=O)c1nc2cc(Br)c(C)[nH]c-2n1 ZINC000178117610 530716559 /nfs/dbraw/zinc/71/65/59/530716559.db2.gz OUGDHAWMRNMCIF-SSDOTTSWSA-N 0 1 389.275 1.717 20 0 GDADMN C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178408815 530720117 /nfs/dbraw/zinc/72/01/17/530720117.db2.gz OSZLQJGIDPYONV-XMMPIXPASA-N 0 1 382.507 1.582 20 0 GDADMN O=C1NCCCC[C@H]1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000179282575 530737656 /nfs/dbraw/zinc/73/76/56/530737656.db2.gz DCMOTHZBSTXGOO-SNVBAGLBSA-N 0 1 383.214 1.674 20 0 GDADMN CC[C@H](CO)N1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000179421178 530740261 /nfs/dbraw/zinc/74/02/61/530740261.db2.gz LINQDGKTNAXIIL-CQSZACIVSA-N 0 1 385.302 1.915 20 0 GDADMN CN(C)[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000179494404 530743137 /nfs/dbraw/zinc/74/31/37/530743137.db2.gz DDJNXHHZCQGXJZ-NSHDSACASA-N 0 1 375.288 1.629 20 0 GDADMN COc1ncccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000057118577 530723673 /nfs/dbraw/zinc/72/36/73/530723673.db2.gz WMLFTLPPDVKARS-UHFFFAOYSA-N 0 1 375.403 1.402 20 0 GDADMN O=C(CCN1CCCS1(=O)=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178638829 530725115 /nfs/dbraw/zinc/72/51/15/530725115.db2.gz ZGBZKUKOTUYJDO-UHFFFAOYSA-N 0 1 376.360 1.946 20 0 GDADMN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178628653 530725131 /nfs/dbraw/zinc/72/51/31/530725131.db2.gz CIGRPXRLZGGUKV-NSHDSACASA-N 0 1 376.360 1.944 20 0 GDADMN NS(=O)(=O)c1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)cs1 ZINC000058966673 530734440 /nfs/dbraw/zinc/73/44/40/530734440.db2.gz TYNWYOGGDHBMCO-UHFFFAOYSA-N 0 1 380.495 1.185 20 0 GDADMN C[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000180164693 530759226 /nfs/dbraw/zinc/75/92/26/530759226.db2.gz PUADHFVIXYFVDR-GFCCVEGCSA-N 0 1 379.507 1.631 20 0 GDADMN CC1(C)CN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CCN1 ZINC000179712601 530748394 /nfs/dbraw/zinc/74/83/94/530748394.db2.gz VMWGBBBWMARNAT-UHFFFAOYSA-N 0 1 375.288 1.677 20 0 GDADMN OC(c1cccnc1)=C1[C@H](c2cscn2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000067028552 530771531 /nfs/dbraw/zinc/77/15/31/530771531.db2.gz CIYZCTNICUYXLM-OUJBWJOFSA-N 0 1 388.396 1.807 20 0 GDADMN Cn1ccnc1-c1cc(NC(=O)c2cnn3cc(Br)cnc23)[nH]n1 ZINC000180861719 530772769 /nfs/dbraw/zinc/77/27/69/530772769.db2.gz GIIRJFHHRKSZDL-UHFFFAOYSA-N 0 1 387.201 1.868 20 0 GDADMN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000069634365 530798201 /nfs/dbraw/zinc/79/82/01/530798201.db2.gz NJJBPOWLPMBOKK-OLZOCXBDSA-N 0 1 393.600 1.528 20 0 GDADMN CS(=O)(=O)CC[C@@H](N)C(=O)NCCc1cc(Cl)ccc1Br ZINC000182652303 530802630 /nfs/dbraw/zinc/80/26/30/530802630.db2.gz OJHBIYXHKVIGGQ-GFCCVEGCSA-N 0 1 397.722 1.523 20 0 GDADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182677999 530802961 /nfs/dbraw/zinc/80/29/61/530802961.db2.gz RNUGCUZOVPGWSS-UHFFFAOYSA-N 0 1 380.246 1.872 20 0 GDADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(Br)cn1 ZINC000078450860 530806854 /nfs/dbraw/zinc/80/68/54/530806854.db2.gz IGFCXDYSHXXNAX-UHFFFAOYSA-N 0 1 376.214 1.978 20 0 GDADMN Cc1[nH]ncc1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000102786607 530830008 /nfs/dbraw/zinc/83/00/08/530830008.db2.gz QERXSPORIDXTMR-UHFFFAOYSA-N 0 1 390.918 1.803 20 0 GDADMN COc1cc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cc(OC)c1Br ZINC000183403050 530814130 /nfs/dbraw/zinc/81/41/30/530814130.db2.gz QXFFWCYFUZRZGA-QMMMGPOBSA-N 0 1 384.234 1.855 20 0 GDADMN C[C@@H](CN1CCN(C)CC1)NC(=O)CCOc1ccccc1Br ZINC000106815982 530849952 /nfs/dbraw/zinc/84/99/52/530849952.db2.gz MTAHSSUZZQGLIK-AWEZNQCLSA-N 0 1 384.318 1.970 20 0 GDADMN Cc1cc(S(=O)(=O)N[C@H](C)CN2CCN(C)CC2)ccc1Br ZINC000106895495 530851627 /nfs/dbraw/zinc/85/16/27/530851627.db2.gz INYDRRPQQHHUAL-CYBMUJFWSA-N 0 1 390.347 1.672 20 0 GDADMN C[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)CC1(CO)CC1 ZINC000186808969 530863385 /nfs/dbraw/zinc/86/33/85/530863385.db2.gz LWCGNUULCMXRGM-UHFFFAOYSA-N 0 1 387.311 1.741 20 0 GDADMN CN(CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)CC1(CO)CC1 ZINC000186808969 530863387 /nfs/dbraw/zinc/86/33/87/530863387.db2.gz LWCGNUULCMXRGM-UHFFFAOYSA-N 0 1 387.311 1.741 20 0 GDADMN COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@@H]2CCCN2C)c1 ZINC000109699312 530863820 /nfs/dbraw/zinc/86/38/20/530863820.db2.gz XVKQDHLMIJXMSM-HNNXBMFYSA-N 0 1 398.301 1.788 20 0 GDADMN CCN(C)CCNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000187081938 530866487 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/nfs/dbraw/zinc/07/38/32/597073832.db2.gz NBPNUJZQPRKONK-HZPDHXFCSA-N 0 1 375.469 1.933 20 0 GDADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000819374865 597076290 /nfs/dbraw/zinc/07/62/90/597076290.db2.gz BQXGMJMHRSZENN-QGZVFWFLSA-N 0 1 375.469 1.644 20 0 GDADMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000819375473 597082458 /nfs/dbraw/zinc/08/24/58/597082458.db2.gz OVUQGRUPZQUUEB-QGZVFWFLSA-N 0 1 387.480 1.726 20 0 GDADMN CC[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CCN1CCOC ZINC000736406830 599244610 /nfs/dbraw/zinc/24/46/10/599244610.db2.gz CXUMAEVBYZTLCS-CYBMUJFWSA-N 0 1 377.424 1.580 20 0 GDADMN C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)CC1 ZINC000738012497 597198020 /nfs/dbraw/zinc/19/80/20/597198020.db2.gz CMNLNQBUTDSDFM-UHFFFAOYSA-N 0 1 388.468 1.332 20 0 GDADMN CC[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000563956994 597221224 /nfs/dbraw/zinc/22/12/24/597221224.db2.gz BXPNNMAWTBKUAZ-UMVBOHGHSA-N 0 1 377.441 1.214 20 0 GDADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000819513849 597456017 /nfs/dbraw/zinc/45/60/17/597456017.db2.gz SEKNAUVIOKNSBL-JKSUJKDBSA-N 0 1 375.425 1.026 20 0 GDADMN CC(C)C[C@@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)C(=O)[O-] ZINC000817884239 597492865 /nfs/dbraw/zinc/49/28/65/597492865.db2.gz PNKIFLVKCUWKRZ-HZPDHXFCSA-N 0 1 376.457 1.757 20 0 GDADMN CC(C)C[C@@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)C(=O)[O-] ZINC000817884239 597492866 /nfs/dbraw/zinc/49/28/66/597492866.db2.gz PNKIFLVKCUWKRZ-HZPDHXFCSA-N 0 1 376.457 1.757 20 0 GDADMN COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000818583101 597524945 /nfs/dbraw/zinc/52/49/45/597524945.db2.gz ZYTPVVGDUJMRCW-PKOBYXMFSA-N 0 1 389.496 1.745 20 0 GDADMN COc1ccc([C@@H](CNC(=O)C[N@H+]2CC[C@H](C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000818583101 597524948 /nfs/dbraw/zinc/52/49/48/597524948.db2.gz ZYTPVVGDUJMRCW-PKOBYXMFSA-N 0 1 389.496 1.745 20 0 GDADMN O=C([O-])[C@H]1CC[N@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000819286739 597537086 /nfs/dbraw/zinc/53/70/86/597537086.db2.gz JGCJQTAVIXPYQB-HNNXBMFYSA-N 0 1 379.416 1.846 20 0 GDADMN O=C([O-])[C@H]1CC[N@@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000819286739 597537087 /nfs/dbraw/zinc/53/70/87/597537087.db2.gz JGCJQTAVIXPYQB-HNNXBMFYSA-N 0 1 379.416 1.846 20 0 GDADMN Cc1nnc(N[C@@H](C)CN2CCN(c3ccccn3)CC2)c(-c2nn[nH]n2)c1C ZINC000737522523 599268536 /nfs/dbraw/zinc/26/85/36/599268536.db2.gz VHPAQTHUBRCETI-ZDUSSCGKSA-N 0 1 394.487 1.291 20 0 GDADMN O=C1[C@@H](n2cc(-c3nn[nH]n3)c(=O)c3ccccc32)CCN1CC(F)(F)F ZINC000738294252 599291156 /nfs/dbraw/zinc/29/11/56/599291156.db2.gz AQVXLEZKKMFQRU-LBPRGKRZSA-N 0 1 378.314 1.517 20 0 GDADMN CCCc1nnc([C@@H]2CN(CCCOc3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000736495101 599291743 /nfs/dbraw/zinc/29/17/43/599291743.db2.gz HXMHXCPXGVCGFH-INIZCTEOSA-N 0 1 398.471 1.780 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(CCCOc3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000736495101 599291745 /nfs/dbraw/zinc/29/17/45/599291745.db2.gz HXMHXCPXGVCGFH-INIZCTEOSA-N 0 1 398.471 1.780 20 0 GDADMN Cc1sc2ncn(CCC(=O)OC[C@@H]3CCC[N@H+]3CC(=O)[O-])c(=O)c2c1C ZINC000821257022 598063756 /nfs/dbraw/zinc/06/37/56/598063756.db2.gz FWGXXMQVRPOPRS-ZDUSSCGKSA-N 0 1 393.465 1.557 20 0 GDADMN CN1C(=O)C[C@H](C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000820614261 598068304 /nfs/dbraw/zinc/06/83/04/598068304.db2.gz COMFCHZVRIWOSA-RVKKMQEKSA-N 0 1 378.400 1.437 20 0 GDADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCCCCC(=O)[O-])cc2)CC1 ZINC000820354525 598169236 /nfs/dbraw/zinc/16/92/36/598169236.db2.gz XERDSBCKGITOKM-UHFFFAOYSA-N 0 1 376.457 1.841 20 0 GDADMN CC(C)CN(CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C1CC1 ZINC000735829262 598232166 /nfs/dbraw/zinc/23/21/66/598232166.db2.gz FPALXSPSTGMFMV-LJQANCHMSA-N 0 1 383.456 1.712 20 0 GDADMN CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000735685097 598299799 /nfs/dbraw/zinc/29/97/99/598299799.db2.gz NXKKGWLGPUBMJX-GJZGRUSLSA-N 0 1 399.499 1.678 20 0 GDADMN COc1ccc(C[NH+]2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737090275 598349752 /nfs/dbraw/zinc/34/97/52/598349752.db2.gz DXEGZVFCHXNZDA-UHFFFAOYSA-N 0 1 380.456 1.989 20 0 GDADMN COc1ccc(C[NH+]2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737090275 598349755 /nfs/dbraw/zinc/34/97/55/598349755.db2.gz DXEGZVFCHXNZDA-UHFFFAOYSA-N 0 1 380.456 1.989 20 0 GDADMN Cc1nc2c(cnn2C)c(N2CCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000737479917 598351931 /nfs/dbraw/zinc/35/19/31/598351931.db2.gz FPTGUZUTDGRCOG-UHFFFAOYSA-N 0 1 390.455 1.174 20 0 GDADMN Cn1ccnc1CN1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737616950 598357852 /nfs/dbraw/zinc/35/78/52/598357852.db2.gz XFVCDVDRYBQTIW-UHFFFAOYSA-N 0 1 382.472 1.187 20 0 GDADMN O=S(=O)(NCc1n[nH]c(-c2ccccc2)n1)c1cccc(-c2nn[nH]n2)c1 ZINC000738345994 598375016 /nfs/dbraw/zinc/37/50/16/598375016.db2.gz VEJNCMPUBNPOLX-UHFFFAOYSA-N 0 1 382.409 1.130 20 0 GDADMN O=S(=O)(NCc1nc(-c2ccccc2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000738345994 598375017 /nfs/dbraw/zinc/37/50/17/598375017.db2.gz VEJNCMPUBNPOLX-UHFFFAOYSA-N 0 1 382.409 1.130 20 0 GDADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000736635863 598392837 /nfs/dbraw/zinc/39/28/37/598392837.db2.gz IEHSPYZTSDNRBA-CYBMUJFWSA-N 0 1 388.476 1.023 20 0 GDADMN Cc1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)c(-c2nn[nH]n2)c1C ZINC000737523480 598422275 /nfs/dbraw/zinc/42/22/75/598422275.db2.gz YKNOUCRGHFVURD-INIZCTEOSA-N 0 1 380.456 1.129 20 0 GDADMN CC[C@H](C)[N@H+](C)CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736323905 598425211 /nfs/dbraw/zinc/42/52/11/598425211.db2.gz ZMJVYMUMRGIJLN-LBPRGKRZSA-N 0 1 399.503 1.305 20 0 GDADMN CC[C@H](C)[N@@H+](C)CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736323905 598425213 /nfs/dbraw/zinc/42/52/13/598425213.db2.gz ZMJVYMUMRGIJLN-LBPRGKRZSA-N 0 1 399.503 1.305 20 0 GDADMN CC[C@H](C)[N@H+](C)CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736323905 598425215 /nfs/dbraw/zinc/42/52/15/598425215.db2.gz ZMJVYMUMRGIJLN-LBPRGKRZSA-N 0 1 399.503 1.305 20 0 GDADMN CC[C@H](C)[N@@H+](C)CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736323905 598425217 /nfs/dbraw/zinc/42/52/17/598425217.db2.gz ZMJVYMUMRGIJLN-LBPRGKRZSA-N 0 1 399.503 1.305 20 0 GDADMN O=S(=O)(c1ccccc1-c1nn[nH]n1)N1CCN(CC2CCCCC2)CC1 ZINC000738356396 598430145 /nfs/dbraw/zinc/43/01/45/598430145.db2.gz AXUADKNPUVUDJD-UHFFFAOYSA-N 0 1 390.513 1.753 20 0 GDADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)cn1)N1CCCC1 ZINC000737142368 598456801 /nfs/dbraw/zinc/45/68/01/598456801.db2.gz NCPDBWLLVGURRU-QGZVFWFLSA-N 0 1 393.451 1.837 20 0 GDADMN C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000736253869 598470012 /nfs/dbraw/zinc/47/00/12/598470012.db2.gz WMRBBLHHXLNSIU-VXGBXAGGSA-N 0 1 382.465 1.547 20 0 GDADMN O=C([C@H]1CCCCN1Cc1cn2ccccc2c1-c1nn[nH]n1)N1CCOCC1 ZINC000737791875 598475625 /nfs/dbraw/zinc/47/56/25/598475625.db2.gz MFGBQDDEJIQVFT-QGZVFWFLSA-N 0 1 395.467 1.333 20 0 GDADMN CCCCN(CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736457711 598539115 /nfs/dbraw/zinc/53/91/15/598539115.db2.gz YEWUOUFJKOXDGG-MRXNPFEDSA-N 0 1 393.513 1.925 20 0 GDADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@@H+]3[C@H](C)CCC[C@@H]3C)CC2)o1 ZINC000737466953 598539458 /nfs/dbraw/zinc/53/94/58/598539458.db2.gz IOCQHIGBYIUFID-BETUJISGSA-N 0 1 388.476 1.075 20 0 GDADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3[C@H](C)CCC[C@@H]3C)CC2)o1 ZINC000737466953 598539461 /nfs/dbraw/zinc/53/94/61/598539461.db2.gz IOCQHIGBYIUFID-BETUJISGSA-N 0 1 388.476 1.075 20 0 GDADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3[C@H](C)CCC[C@@H]3C)CC2)o1 ZINC000737466953 598539462 /nfs/dbraw/zinc/53/94/62/598539462.db2.gz IOCQHIGBYIUFID-BETUJISGSA-N 0 1 388.476 1.075 20 0 GDADMN COc1cccc2c1OC[C@@H]([NH2+]Cc1cnc3c(-c4nnn[n-]4)cnn3c1)C2 ZINC000737142169 598617635 /nfs/dbraw/zinc/61/76/35/598617635.db2.gz IFWCHFZRILKEIP-ZDUSSCGKSA-N 0 1 378.396 1.011 20 0 GDADMN COc1cccc2c1OC[C@@H]([NH2+]Cc1cnc3c(-c4nn[n-]n4)cnn3c1)C2 ZINC000737142169 598617638 /nfs/dbraw/zinc/61/76/38/598617638.db2.gz IFWCHFZRILKEIP-ZDUSSCGKSA-N 0 1 378.396 1.011 20 0 GDADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1ccccc1-c1nn[nH]n1 ZINC000736118686 598621156 /nfs/dbraw/zinc/62/11/56/598621156.db2.gz VLUNJPQIPYQYDS-LLVKDONJSA-N 0 1 391.391 1.605 20 0 GDADMN CC(C)CN1CCO[C@H](CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735835384 598664505 /nfs/dbraw/zinc/66/45/05/598664505.db2.gz IJIFHELTIIXGLY-OAHLLOKOSA-N 0 1 390.513 1.432 20 0 GDADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)Nc1ccc(Br)cc1 ZINC000737986119 598677916 /nfs/dbraw/zinc/67/79/16/598677916.db2.gz CBWGYBFGZOYNLI-UHFFFAOYSA-N 0 1 375.186 1.430 20 0 GDADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000737986753 598677985 /nfs/dbraw/zinc/67/79/85/598677985.db2.gz NZCSIPNVOWFGJX-UHFFFAOYSA-N 0 1 378.436 1.510 20 0 GDADMN O=C(NCc1nn[nH]n1)c1ccccc1SCc1ccc(-c2nn[nH]n2)cc1 ZINC000738129500 598698274 /nfs/dbraw/zinc/69/82/74/598698274.db2.gz SVMQXWAJALZPNG-UHFFFAOYSA-N 0 1 393.436 1.602 20 0 GDADMN CNC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736870317 598705176 /nfs/dbraw/zinc/70/51/76/598705176.db2.gz HRAUDQDTGCDBRH-MNOVXSKESA-N 0 1 391.863 1.305 20 0 GDADMN COC(=O)[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC000736898104 598709170 /nfs/dbraw/zinc/70/91/70/598709170.db2.gz PFRKPLATCJVSNB-ZDUSSCGKSA-N 0 1 393.450 1.262 20 0 GDADMN CC1(C)C[C@@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736212374 598779508 /nfs/dbraw/zinc/77/95/08/598779508.db2.gz XAVCNQOBCFQVAS-GFCCVEGCSA-N 0 1 386.460 1.610 20 0 GDADMN CCc1cc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)ncn1 ZINC000736677338 598814037 /nfs/dbraw/zinc/81/40/37/598814037.db2.gz XZOWRAROTHGVBJ-UHFFFAOYSA-N 0 1 393.411 1.794 20 0 GDADMN O=S(=O)(C[C@H]1CCCO1)Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823557443 599307138 /nfs/dbraw/zinc/30/71/38/599307138.db2.gz LAXWIFITOICHNR-SECBINFHSA-N 0 1 377.348 1.806 20 0 GDADMN CN1CCN(Cc2cccc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000468262443 599317715 /nfs/dbraw/zinc/31/77/15/599317715.db2.gz UANGKYQFHDZYDS-UHFFFAOYSA-N 0 1 377.452 1.866 20 0 GDADMN O=C(CC[N@H+]1CCC[C@@H]1CO)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737842914 599322180 /nfs/dbraw/zinc/32/21/80/599322180.db2.gz FKDFGYMHHDAAKN-LLVKDONJSA-N 0 1 376.486 1.592 20 0 GDADMN O=C(CC[N@@H+]1CCC[C@@H]1CO)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737842914 599322184 /nfs/dbraw/zinc/32/21/84/599322184.db2.gz FKDFGYMHHDAAKN-LLVKDONJSA-N 0 1 376.486 1.592 20 0 GDADMN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821625422 599342883 /nfs/dbraw/zinc/34/28/83/599342883.db2.gz NJMVCASBBLOSRR-QWHCGFSZSA-N 0 1 380.449 1.253 20 0 GDADMN C[N@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821625422 599342886 /nfs/dbraw/zinc/34/28/86/599342886.db2.gz NJMVCASBBLOSRR-QWHCGFSZSA-N 0 1 380.449 1.253 20 0 GDADMN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 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GDADMN C[C@H]1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)O1 ZINC000820678598 606864828 /nfs/dbraw/zinc/86/48/28/606864828.db2.gz WELYVYYKZYGZKF-WCQYABFASA-N 0 1 399.411 1.331 20 0 GDADMN CN(Cc1cc(Cl)cn1C)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821607174 606880844 /nfs/dbraw/zinc/88/08/44/606880844.db2.gz CBWAUJBGSUXFJO-HNNXBMFYSA-N 0 1 376.848 1.730 20 0 GDADMN CC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820854648 606893625 /nfs/dbraw/zinc/89/36/25/606893625.db2.gz XJUVLHGENRZCRI-AWEZNQCLSA-N 0 1 389.384 1.155 20 0 GDADMN CC(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820046859 606895197 /nfs/dbraw/zinc/89/51/97/606895197.db2.gz VDDKBYRYGYCLFJ-ZANVPECISA-N 0 1 387.412 1.484 20 0 GDADMN CNC(=O)CN1CCC(Nc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821633070 606921277 /nfs/dbraw/zinc/92/12/77/606921277.db2.gz WUEUTHICQVNCKV-UHFFFAOYSA-N 0 1 383.378 1.508 20 0 GDADMN C[C@]1(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCCS1 ZINC000820618692 606933434 /nfs/dbraw/zinc/93/34/34/606933434.db2.gz MEPDHMFKHHHVQX-CYBMUJFWSA-N 0 1 375.426 1.709 20 0 GDADMN Cc1cc(CC(=O)NCCN2c3ccccc3NS2(=O)=O)ncc1Cl ZINC000530268580 649969462 /nfs/dbraw/zinc/96/94/62/649969462.db2.gz QBIBLRUIXIRPDX-UHFFFAOYSA-N 0 1 380.857 1.879 20 0 GDADMN C[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1n1ccnc1 ZINC000820722124 607098044 /nfs/dbraw/zinc/09/80/44/607098044.db2.gz FXAZBDZBZNEFNC-ZTFGCOKTSA-N 0 1 392.467 1.752 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@H](O)c2cccc(C)c2)cc1-c1nn[nH]n1 ZINC000821979030 607162460 /nfs/dbraw/zinc/16/24/60/607162460.db2.gz OARPRQHEFRWYOU-ZDUSSCGKSA-N 0 1 386.437 1.461 20 0 GDADMN O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150868 607177777 /nfs/dbraw/zinc/17/77/77/607177777.db2.gz VAKJDYMJHPGOHL-QWHCGFSZSA-N 0 1 376.486 1.426 20 0 GDADMN O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150868 607177778 /nfs/dbraw/zinc/17/77/78/607177778.db2.gz VAKJDYMJHPGOHL-QWHCGFSZSA-N 0 1 376.486 1.426 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1N1CCc2ccccc21 ZINC000823135982 607207692 /nfs/dbraw/zinc/20/76/92/607207692.db2.gz DKXANOAXYFQXQU-UHFFFAOYSA-N 0 1 387.407 1.791 20 0 GDADMN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822595602 607209863 /nfs/dbraw/zinc/20/98/63/607209863.db2.gz ADINVXVFGOHIFV-AWEZNQCLSA-N 0 1 392.427 1.099 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000823132014 607213705 /nfs/dbraw/zinc/21/37/05/607213705.db2.gz VIXLQFGXPVIFPJ-UHFFFAOYSA-N 0 1 388.298 1.085 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823123106 607222329 /nfs/dbraw/zinc/22/23/29/607222329.db2.gz OERIIKDQHAQPPC-UHFFFAOYSA-N 0 1 388.382 1.708 20 0 GDADMN COc1ccc(CNc2ccc(N3CCN(C)CC3)cn2)cc1-c1nn[nH]n1 ZINC000821821497 607228789 /nfs/dbraw/zinc/22/87/89/607228789.db2.gz IGOFXZVIJFPAQC-UHFFFAOYSA-N 0 1 380.456 1.634 20 0 GDADMN CCN(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN1CC ZINC000825424958 607816295 /nfs/dbraw/zinc/81/62/95/607816295.db2.gz VCQQQOTZELVNSN-MRXNPFEDSA-N 0 1 392.529 1.447 20 0 GDADMN Cc1ccccc1[C@H](OC[C@H](O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000826305668 607869225 /nfs/dbraw/zinc/86/92/25/607869225.db2.gz FAKQKBNKAUJYMU-SJLPKXTDSA-N 0 1 391.435 1.934 20 0 GDADMN COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826132893 608002958 /nfs/dbraw/zinc/00/29/58/608002958.db2.gz HWYYFBUWMHOKFP-SGTLLEGYSA-N 0 1 390.444 1.727 20 0 GDADMN COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826132892 608003052 /nfs/dbraw/zinc/00/30/52/608003052.db2.gz HWYYFBUWMHOKFP-KZULUSFZSA-N 0 1 390.444 1.727 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccccc3OC)CC2)c1-c1nnn[n-]1 ZINC000826073400 608019246 /nfs/dbraw/zinc/01/92/46/608019246.db2.gz QPWSVHHWFRANJU-UHFFFAOYSA-N 0 1 396.455 1.421 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccccc3OC)CC2)c1-c1nn[n-]n1 ZINC000826073400 608019247 /nfs/dbraw/zinc/01/92/47/608019247.db2.gz QPWSVHHWFRANJU-UHFFFAOYSA-N 0 1 396.455 1.421 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000826073387 608020120 /nfs/dbraw/zinc/02/01/20/608020120.db2.gz QDGARWOFGXLFBB-LLVKDONJSA-N 0 1 384.444 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000826073387 608020121 /nfs/dbraw/zinc/02/01/21/608020121.db2.gz QDGARWOFGXLFBB-LLVKDONJSA-N 0 1 384.444 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCCC[C@H]2C)c1-c1nnn[n-]1 ZINC000826077674 608020561 /nfs/dbraw/zinc/02/05/61/608020561.db2.gz QFSAKNUOVSVHRZ-DGCLKSJQSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCCC[C@H]2C)c1-c1nn[n-]n1 ZINC000826077674 608020562 /nfs/dbraw/zinc/02/05/62/608020562.db2.gz QFSAKNUOVSVHRZ-DGCLKSJQSA-N 0 1 376.465 1.276 20 0 GDADMN CC[C@@H](Oc1ccccc1C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825159383 608020971 /nfs/dbraw/zinc/02/09/71/608020971.db2.gz OGJHYSUZBCACQC-CQSZACIVSA-N 0 1 398.471 1.846 20 0 GDADMN CC[C@@H](Oc1ccccc1C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825159383 608020972 /nfs/dbraw/zinc/02/09/72/608020972.db2.gz OGJHYSUZBCACQC-CQSZACIVSA-N 0 1 398.471 1.846 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2cc(C)ccc2F)c1-c1nnn[n-]1 ZINC000826077564 608022109 /nfs/dbraw/zinc/02/21/09/608022109.db2.gz MPHHUXMKYBVDCK-UHFFFAOYSA-N 0 1 388.407 1.207 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2cc(C)ccc2F)c1-c1nn[n-]n1 ZINC000826077564 608022110 /nfs/dbraw/zinc/02/21/10/608022110.db2.gz MPHHUXMKYBVDCK-UHFFFAOYSA-N 0 1 388.407 1.207 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cccc3)nc2)c1-c1nnn[n-]1 ZINC000826083557 608022470 /nfs/dbraw/zinc/02/24/70/608022470.db2.gz MWYWJZHWPJTBSU-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cccc3)nc2)c1-c1nn[n-]n1 ZINC000826083557 608022471 /nfs/dbraw/zinc/02/24/71/608022471.db2.gz MWYWJZHWPJTBSU-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN CN(CC[NH+]1CCCC1)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825938743 608032874 /nfs/dbraw/zinc/03/28/74/608032874.db2.gz YDYGUWFQBHRPND-UHFFFAOYSA-N 0 1 395.471 1.019 20 0 GDADMN CSc1ccc(OCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826230723 608034938 /nfs/dbraw/zinc/03/49/38/608034938.db2.gz HJNFCSYCIBFXRZ-UHFFFAOYSA-N 0 1 388.501 1.837 20 0 GDADMN CSc1ccc(OCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826230723 608034939 /nfs/dbraw/zinc/03/49/39/608034939.db2.gz HJNFCSYCIBFXRZ-UHFFFAOYSA-N 0 1 388.501 1.837 20 0 GDADMN CSc1ccc(OCC[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826230723 608034940 /nfs/dbraw/zinc/03/49/40/608034940.db2.gz HJNFCSYCIBFXRZ-UHFFFAOYSA-N 0 1 388.501 1.837 20 0 GDADMN CSc1ccc(OCC[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826230723 608034941 /nfs/dbraw/zinc/03/49/41/608034941.db2.gz HJNFCSYCIBFXRZ-UHFFFAOYSA-N 0 1 388.501 1.837 20 0 GDADMN Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307875 608036610 /nfs/dbraw/zinc/03/66/10/608036610.db2.gz ZONJEHQSDCTFME-ZDUSSCGKSA-N 0 1 397.487 1.050 20 0 GDADMN Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307875 608036611 /nfs/dbraw/zinc/03/66/11/608036611.db2.gz ZONJEHQSDCTFME-ZDUSSCGKSA-N 0 1 397.487 1.050 20 0 GDADMN NC(=O)[C@@H](N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389464 608099964 /nfs/dbraw/zinc/09/99/64/608099964.db2.gz YWEPYQBWJMIGMC-YJBOKZPZSA-N 0 1 395.442 1.791 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000826256137 608101353 /nfs/dbraw/zinc/10/13/53/608101353.db2.gz WLXXZHPEYQXMRD-UHFFFAOYSA-N 0 1 398.404 1.202 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C(=O)OCC(C)C)cc1-c1nn[nH]n1 ZINC000826229510 608209486 /nfs/dbraw/zinc/20/94/86/608209486.db2.gz HOQBMIYMECQRHI-QMMMGPOBSA-N 0 1 380.430 1.007 20 0 GDADMN Cn1ccc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)n1 ZINC000826363036 608227511 /nfs/dbraw/zinc/22/75/11/608227511.db2.gz UFQKPBAZXCHPGG-UHFFFAOYSA-N 0 1 381.400 1.170 20 0 GDADMN Cc1sc(NC(=O)CN[C@]2(CO)CCc3ccccc32)c(-c2nn[nH]n2)c1C ZINC000826349371 608254018 /nfs/dbraw/zinc/25/40/18/608254018.db2.gz FWRLSBRAPIYLMR-IBGZPJMESA-N 0 1 398.492 1.907 20 0 GDADMN CCC1(O)CCC(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CC1 ZINC000825176523 608280017 /nfs/dbraw/zinc/28/00/17/608280017.db2.gz WNBDPYZAGVWBHU-UHFFFAOYSA-N 0 1 378.458 1.503 20 0 GDADMN CCN1C[C@H](C)N(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000825443751 608314883 /nfs/dbraw/zinc/31/48/83/608314883.db2.gz FJELQYCEYUUJCH-MPGHIAIKSA-N 0 1 383.500 1.777 20 0 GDADMN C[C@H]([NH2+]C1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1)c1ccccc1 ZINC000824536912 608417366 /nfs/dbraw/zinc/41/73/66/608417366.db2.gz ACKSUJSDAVJGLH-AWEZNQCLSA-N 0 1 380.456 1.969 20 0 GDADMN C[C@H]([NH2+]C1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1)c1ccccc1 ZINC000824536912 608417369 /nfs/dbraw/zinc/41/73/69/608417369.db2.gz ACKSUJSDAVJGLH-AWEZNQCLSA-N 0 1 380.456 1.969 20 0 GDADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824004971 608432878 /nfs/dbraw/zinc/43/28/78/608432878.db2.gz IFQOEDHBMQVGHF-CYBMUJFWSA-N 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Cc1nsc(N2CCC[C@H](NC(=O)[C@H]3CCCCN3C)C2)c1-c1nn[nH]n1 ZINC001571300250 946277244 /nfs/dbraw/zinc/27/72/44/946277244.db2.gz XVDMWYFZCBTNCU-QWHCGFSZSA-N 0 1 390.517 1.201 20 0 GDADMN Cc1nsc(N2CCC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)c1-c1nn[nH]n1 ZINC001571300251 946277362 /nfs/dbraw/zinc/27/73/62/946277362.db2.gz XVDMWYFZCBTNCU-STQMWFEESA-N 0 1 390.517 1.201 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(Cl)s1 ZINC001571300285 946278603 /nfs/dbraw/zinc/27/86/03/946278603.db2.gz YVFWAGMVAQGZKM-DTWKUNHWSA-N 0 1 390.860 1.509 20 0 GDADMN CC(=O)NC1(c2ccc(OS(=O)(=O)c3ccc(-c4nn[nH]n4)o3)cc2)CC1 ZINC001573492045 946289583 /nfs/dbraw/zinc/28/95/83/946289583.db2.gz CCJQLYCMNMRTJQ-UHFFFAOYSA-N 0 1 389.393 1.353 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)nn1 ZINC001571303012 946319998 /nfs/dbraw/zinc/31/99/98/946319998.db2.gz JFIVMAKLJBUQEC-MRXNPFEDSA-N 0 1 391.439 1.149 20 0 GDADMN O=C([C@H]1Cc2ccccc2O1)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571303586 946341095 /nfs/dbraw/zinc/34/10/95/946341095.db2.gz NVKJWLVQDCRNBP-GOSISDBHSA-N 0 1 391.435 1.090 20 0 GDADMN CC(C)(CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571310368 946471138 /nfs/dbraw/zinc/47/11/38/946471138.db2.gz CXYAZOPZQAQGRO-OAHLLOKOSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC001571310619 946477384 /nfs/dbraw/zinc/47/73/84/946477384.db2.gz KWDWNKSRJYCKHE-HOCLYGCPSA-N 0 1 392.467 1.360 20 0 GDADMN CO[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cc1ccccc1 ZINC001571311558 946489877 /nfs/dbraw/zinc/48/98/77/946489877.db2.gz ZTCGSXOJVXYXOS-RTBURBONSA-N 0 1 392.463 1.425 20 0 GDADMN Cc1cc(N[C@@H]2CCCN(C(=O)Cc3cnccc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314774 946544717 /nfs/dbraw/zinc/54/47/17/946544717.db2.gz CNDJTSQTCADNKI-MRXNPFEDSA-N 0 1 392.467 1.341 20 0 GDADMN Cc1cc(C(=O)N[C@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cc(C)n1 ZINC001571315385 946552573 /nfs/dbraw/zinc/55/25/73/946552573.db2.gz IYVSRLYCCYAGSC-HXUWFJFHSA-N 0 1 392.467 1.981 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)cnn1 ZINC001571315591 946556205 /nfs/dbraw/zinc/55/62/05/946556205.db2.gz LYDFXRCRUWPQBY-KDOFPFPSSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cc(C)c(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@@]3(C)C2)[nH]1 ZINC001571316001 946563441 /nfs/dbraw/zinc/56/34/41/946563441.db2.gz RDNNYUPCTWHCTE-VLIAUNLRSA-N 0 1 392.467 1.805 20 0 GDADMN Cc1cc(C)cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)c1 ZINC001571316063 946564146 /nfs/dbraw/zinc/56/41/46/946564146.db2.gz SVLRDTKOCLKEHF-HNNXBMFYSA-N 0 1 392.467 1.658 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)nn1 ZINC001571316067 946564264 /nfs/dbraw/zinc/56/42/64/946564264.db2.gz SYADUNMUVUKQQI-RHSMWYFYSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)c(C)[nH]1 ZINC001571316246 946570728 /nfs/dbraw/zinc/57/07/28/946570728.db2.gz XILIBSGYOMURJI-XGBSXSJOSA-N 0 1 392.467 1.627 20 0 GDADMN Cc1cccc([C@H](C)C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316302 946571229 /nfs/dbraw/zinc/57/12/29/946571229.db2.gz YSEQMLRTBNODJT-GOEBONIOSA-N 0 1 392.467 1.594 20 0 GDADMN Cc1nnccc1C(=O)N[C@@H]1CC[C@@H](C)N(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316750 946586368 /nfs/dbraw/zinc/58/63/68/946586368.db2.gz LMEIMOKXHYHKBR-CXAGYDPISA-N 0 1 392.467 1.748 20 0 GDADMN CO[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1)C(C)C ZINC001571317308 946606656 /nfs/dbraw/zinc/60/66/56/946606656.db2.gz BTKBNBJMMYTKEM-XJKCOSOUSA-N 0 1 392.529 1.783 20 0 GDADMN CO[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1)C(C)C ZINC001571317308 946606663 /nfs/dbraw/zinc/60/66/63/946606663.db2.gz BTKBNBJMMYTKEM-XJKCOSOUSA-N 0 1 392.529 1.783 20 0 GDADMN O=C(c1cc2n(c1)CCCC2)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571317614 946616049 /nfs/dbraw/zinc/61/60/49/946616049.db2.gz OJCFZUPCHXLUHU-INIZCTEOSA-N 0 1 392.467 1.538 20 0 GDADMN CC[C@H](C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317822 946621718 /nfs/dbraw/zinc/62/17/18/946621718.db2.gz WIPVNKMLCJTVED-SJKOYZFVSA-N 0 1 392.533 1.622 20 0 GDADMN C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506083 946751404 /nfs/dbraw/zinc/75/14/04/946751404.db2.gz LAOQHYQGWCOPPS-UKRRQHHQSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824506083 946751408 /nfs/dbraw/zinc/75/14/08/946751408.db2.gz LAOQHYQGWCOPPS-UKRRQHHQSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506083 946751414 /nfs/dbraw/zinc/75/14/14/946751414.db2.gz LAOQHYQGWCOPPS-UKRRQHHQSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824506083 946751420 /nfs/dbraw/zinc/75/14/20/946751420.db2.gz LAOQHYQGWCOPPS-UKRRQHHQSA-N 0 1 395.471 1.632 20 0 GDADMN CC1(C)CN(C(=O)C2CC2)CCN1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824807773 946939142 /nfs/dbraw/zinc/93/91/42/946939142.db2.gz NBRNHMIMGSRQEO-UHFFFAOYSA-N 0 1 397.483 1.528 20 0 GDADMN C=C/C(C)=C/CC(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573316039 947267249 /nfs/dbraw/zinc/26/72/49/947267249.db2.gz FOCBGTLFCGFGKN-DTHCKZEYSA-N 0 1 383.456 1.154 20 0 GDADMN C[C@@H](C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573592956 947355370 /nfs/dbraw/zinc/35/53/70/947355370.db2.gz GSXLTCYKSRTGMO-SUMWQHHRSA-N 0 1 380.456 1.395 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826073473 947424657 /nfs/dbraw/zinc/42/46/57/947424657.db2.gz UBBZFYVNKRVPPI-UHFFFAOYSA-N 0 1 394.361 1.611 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826073473 947424663 /nfs/dbraw/zinc/42/46/63/947424663.db2.gz UBBZFYVNKRVPPI-UHFFFAOYSA-N 0 1 394.361 1.611 20 0 GDADMN COC(=O)[C@@H]1CN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C ZINC000826132400 947447058 /nfs/dbraw/zinc/44/70/58/947447058.db2.gz FCIHLYUZFNFEAM-DAXOMENPSA-N 0 1 384.440 1.103 20 0 GDADMN C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)c(F)c1 ZINC001573603430 947486792 /nfs/dbraw/zinc/48/67/92/947486792.db2.gz GPPRZGOAZFNDJD-SNVBAGLBSA-N 0 1 388.382 1.031 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCCCC1 ZINC001573603710 947494892 /nfs/dbraw/zinc/49/48/92/947494892.db2.gz OTASPSKDSBANJI-HNNXBMFYSA-N 0 1 386.504 1.421 20 0 GDADMN CC(C(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)=C1CCC1 ZINC001573607538 947548917 /nfs/dbraw/zinc/54/89/17/947548917.db2.gz OKNMQMJDHKYWQQ-WBMJQRKESA-N 0 1 381.484 1.999 20 0 GDADMN COc1cc(OC)cc(S(=O)(=O)Nc2cccc(C)c2-c2nn[nH]n2)c1 ZINC000826181442 947561759 /nfs/dbraw/zinc/56/17/59/947561759.db2.gz ZMBIRPAAVZUFQX-UHFFFAOYSA-N 0 1 375.410 1.993 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573615968 947615264 /nfs/dbraw/zinc/61/52/64/947615264.db2.gz UOOFSIJTUSOEKH-AEGPPILISA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573617349 947635118 /nfs/dbraw/zinc/63/51/18/947635118.db2.gz OWRMLESMKYPCEX-JTQLQIEISA-N 0 1 383.378 1.675 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618425 947650254 /nfs/dbraw/zinc/65/02/54/947650254.db2.gz SAABLXFCQHBJIF-ZIAGYGMSSA-N 0 1 381.444 1.004 20 0 GDADMN C=Cc1ccc(C(=O)N[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)cc1 ZINC001573356542 947651202 /nfs/dbraw/zinc/65/12/02/947651202.db2.gz XVVJHTVPFSRIRX-HNNXBMFYSA-N 0 1 390.451 1.945 20 0 GDADMN C[C@@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573619664 947669714 /nfs/dbraw/zinc/66/97/14/947669714.db2.gz XBQPUNMNAKWPJQ-DYVFJYSZSA-N 0 1 385.472 1.504 20 0 GDADMN Cc1cc(C2CCN(CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)[nH]n1 ZINC000826266035 947767992 /nfs/dbraw/zinc/76/79/92/947767992.db2.gz ZIPJQQUURBVXMT-UHFFFAOYSA-N 0 1 380.456 1.394 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573369863 947777645 /nfs/dbraw/zinc/77/76/45/947777645.db2.gz YPDJEAOYAUFIFU-IBGZPJMESA-N 0 1 385.472 1.402 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573630509 947793346 /nfs/dbraw/zinc/79/33/46/947793346.db2.gz YJQUOLDXSJGASW-GHMZBOCLSA-N 0 1 380.403 1.375 20 0 GDADMN C[C@H](C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001573631519 947802092 /nfs/dbraw/zinc/80/20/92/947802092.db2.gz VWHNEOZGOXFIER-ZDUSSCGKSA-N 0 1 382.472 1.522 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573375162 947815665 /nfs/dbraw/zinc/81/56/65/947815665.db2.gz RJRSKDVXJNKZJA-VIFPVBQESA-N 0 1 383.865 1.749 20 0 GDADMN C[C@@H](C(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccn1 ZINC001573637741 947821052 /nfs/dbraw/zinc/82/10/52/947821052.db2.gz OWELBAUPUQXRFJ-HNNXBMFYSA-N 0 1 380.456 1.359 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](C)CN(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573376850 947841765 /nfs/dbraw/zinc/84/17/65/947841765.db2.gz ZJUWZCKGSFAIBG-GFCCVEGCSA-N 0 1 376.436 1.702 20 0 GDADMN CC(=O)CCCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCCC1 ZINC001573380294 947857572 /nfs/dbraw/zinc/85/75/72/947857572.db2.gz AKBQYEONEYICCM-UHFFFAOYSA-N 0 1 385.472 1.674 20 0 GDADMN CC(=O)CCCC(=O)NCC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573380745 947862733 /nfs/dbraw/zinc/86/27/33/947862733.db2.gz HGVOHYKXOFCKFS-UHFFFAOYSA-N 0 1 385.472 1.744 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573380891 947865139 /nfs/dbraw/zinc/86/51/39/947865139.db2.gz JIEWEZISKNMOAA-OAHLLOKOSA-N 0 1 385.472 1.805 20 0 GDADMN CC(=O)CCCC(=O)NCC1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573382863 947887700 /nfs/dbraw/zinc/88/77/00/947887700.db2.gz LNFFBAWEWFZQQL-UHFFFAOYSA-N 0 1 385.472 1.662 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)n1cccc1 ZINC001573647260 947889222 /nfs/dbraw/zinc/88/92/22/947889222.db2.gz GKGBRDIEHMHCKB-KFWWJZLASA-N 0 1 378.440 1.219 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573647263 947890568 /nfs/dbraw/zinc/89/05/68/947890568.db2.gz GKTFSGVCNDICAS-UHYGZKCKSA-N 0 1 382.472 1.165 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573657034 947996866 /nfs/dbraw/zinc/99/68/66/947996866.db2.gz JTYSZHOJHWKBJQ-ZDUSSCGKSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)C(F)(F)F ZINC001573659437 948014380 /nfs/dbraw/zinc/01/43/80/948014380.db2.gz VUBVHYPZJMJGIR-SECBINFHSA-N 0 1 384.366 1.118 20 0 GDADMN Cc1onc(CC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826347098 948049578 /nfs/dbraw/zinc/04/95/78/948049578.db2.gz FDJWACCRZRQRDR-CYBMUJFWSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826347098 948049586 /nfs/dbraw/zinc/04/95/86/948049586.db2.gz FDJWACCRZRQRDR-CYBMUJFWSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347098 948049595 /nfs/dbraw/zinc/04/95/95/948049595.db2.gz FDJWACCRZRQRDR-CYBMUJFWSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347098 948049606 /nfs/dbraw/zinc/04/96/06/948049606.db2.gz FDJWACCRZRQRDR-CYBMUJFWSA-N 0 1 383.456 1.732 20 0 GDADMN C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(F)F ZINC001573664342 948053608 /nfs/dbraw/zinc/05/36/08/948053608.db2.gz TYGLOEBEBQEKPJ-RLFDGXBXSA-N 0 1 392.414 1.566 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347551 948055765 /nfs/dbraw/zinc/05/57/65/948055765.db2.gz VDJDMIUAQYLTEG-INIZCTEOSA-N 0 1 395.467 1.386 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347551 948055774 /nfs/dbraw/zinc/05/57/74/948055774.db2.gz VDJDMIUAQYLTEG-INIZCTEOSA-N 0 1 395.467 1.386 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347551 948055778 /nfs/dbraw/zinc/05/57/78/948055778.db2.gz VDJDMIUAQYLTEG-INIZCTEOSA-N 0 1 395.467 1.386 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347551 948055785 /nfs/dbraw/zinc/05/57/85/948055785.db2.gz VDJDMIUAQYLTEG-INIZCTEOSA-N 0 1 395.467 1.386 20 0 GDADMN C[C@H](C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573666596 948088194 /nfs/dbraw/zinc/08/81/94/948088194.db2.gz UKMJQRCJSCSGPL-KPPDAEKUSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573666700 948088781 /nfs/dbraw/zinc/08/87/81/948088781.db2.gz VMASKFPRCBDIJR-KBPBESRZSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573667316 948096683 /nfs/dbraw/zinc/09/66/83/948096683.db2.gz YYKXKLIYBKLUQM-DZGCQCFKSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cccn1 ZINC001573670282 948101290 /nfs/dbraw/zinc/10/12/90/948101290.db2.gz ANSCASCOHDPNTL-GFCCVEGCSA-N 0 1 386.485 1.467 20 0 GDADMN CC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573432631 948191422 /nfs/dbraw/zinc/19/14/22/948191422.db2.gz HKOIWQBFZZAVOV-GXTWGEPZSA-N 0 1 386.353 1.895 20 0 GDADMN C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573681875 948217388 /nfs/dbraw/zinc/21/73/88/948217388.db2.gz YIGPHSOVFRIODR-GXFFZTMASA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573690591 948227086 /nfs/dbraw/zinc/22/70/86/948227086.db2.gz FCVBPBFUEMGXQE-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN O=C(CN1CC[C@@H](COc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410815 948247952 /nfs/dbraw/zinc/24/79/52/948247952.db2.gz ZHSYHAQWTDTSCJ-QGZVFWFLSA-N 0 1 392.463 1.884 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC001573691820 948248440 /nfs/dbraw/zinc/24/84/40/948248440.db2.gz KBKPOGXYTUKKFV-BLLLJJGKSA-N 0 1 390.463 1.399 20 0 GDADMN C[C@H](C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)[C@@H]1CCCO1 ZINC001573692431 948264313 /nfs/dbraw/zinc/26/43/13/948264313.db2.gz PQPADTKDAGZORD-LRDDRELGSA-N 0 1 388.447 1.559 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(C)C ZINC001573693286 948280912 /nfs/dbraw/zinc/28/09/12/948280912.db2.gz SFDXAFLPOPPHFY-JGVFFNPUSA-N 0 1 387.897 1.548 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC001573694433 948294087 /nfs/dbraw/zinc/29/40/87/948294087.db2.gz VMCPHBSOSISXSG-QWRGUYRKSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC001573694433 948294098 /nfs/dbraw/zinc/29/40/98/948294098.db2.gz VMCPHBSOSISXSG-QWRGUYRKSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573704083 948363958 /nfs/dbraw/zinc/36/39/58/948363958.db2.gz OTXDLCSUGQIELY-VXGBXAGGSA-N 0 1 384.469 1.607 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573704104 948366034 /nfs/dbraw/zinc/36/60/34/948366034.db2.gz PANQSFAQONHMMP-KBPBESRZSA-N 0 1 381.444 1.195 20 0 GDADMN O=C1[C@H](N2CCC(n3cccn3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476675 948383540 /nfs/dbraw/zinc/38/35/40/948383540.db2.gz MLPDZSFLBBLQKO-GOSISDBHSA-N 0 1 392.467 1.896 20 0 GDADMN O=C1OCCN1c1ccc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000826483511 948399020 /nfs/dbraw/zinc/39/90/20/948399020.db2.gz PVDHUGQBAWBBAO-UHFFFAOYSA-N 0 1 386.393 1.624 20 0 GDADMN C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573705428 948399594 /nfs/dbraw/zinc/39/95/94/948399594.db2.gz FQBFHEYIIOJCND-JTQLQIEISA-N 0 1 380.403 1.068 20 0 GDADMN C[C@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573705506 948401800 /nfs/dbraw/zinc/40/18/00/948401800.db2.gz FSJWPGHHDMJXAX-BBRMVZONSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)CCC1(F)F)C1CC1 ZINC001573707075 948428578 /nfs/dbraw/zinc/42/85/78/948428578.db2.gz MAGOSSQDGMYAOB-WCQYABFASA-N 0 1 391.426 1.886 20 0 GDADMN CC(C)[C@@H](CCNC(=O)[C@H](C)C1CCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573716532 948500700 /nfs/dbraw/zinc/50/07/00/948500700.db2.gz HHNXBKNATWAIOS-UKRRQHHQSA-N 0 1 386.504 1.848 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(F)c1 ZINC001573736508 948615937 /nfs/dbraw/zinc/61/59/37/948615937.db2.gz ZDMRTQPAZRQCGG-SMDDNHRTSA-N 0 1 382.403 1.294 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573742043 948658777 /nfs/dbraw/zinc/65/87/77/948658777.db2.gz HQMNXIVZVXMBOZ-NXEZZACHSA-N 0 1 388.382 1.077 20 0 GDADMN CC(C)[C@@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001574075069 948742978 /nfs/dbraw/zinc/74/29/78/948742978.db2.gz ZYLXRFSUGAZFDV-GUIRCDHDSA-N 0 1 378.477 1.716 20 0 GDADMN CC(C)[C@@H](F)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001574075069 948742980 /nfs/dbraw/zinc/74/29/80/948742980.db2.gz ZYLXRFSUGAZFDV-GUIRCDHDSA-N 0 1 378.477 1.716 20 0 GDADMN CC(C)[C@@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001574075069 948742983 /nfs/dbraw/zinc/74/29/83/948742983.db2.gz ZYLXRFSUGAZFDV-GUIRCDHDSA-N 0 1 378.477 1.716 20 0 GDADMN CC(C)[C@@H](F)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001574075069 948742988 /nfs/dbraw/zinc/74/29/88/948742988.db2.gz ZYLXRFSUGAZFDV-GUIRCDHDSA-N 0 1 378.477 1.716 20 0 GDADMN C[C@H](CNC(=O)CCc1ccccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574914470 948751624 /nfs/dbraw/zinc/75/16/24/948751624.db2.gz KJIBCPLZPYXNGX-GFCCVEGCSA-N 0 1 384.419 1.370 20 0 GDADMN C[C@H](CNC(=O)CCc1ccccn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574914656 948755167 /nfs/dbraw/zinc/75/51/67/948755167.db2.gz MAMXGZWYYQMMEA-SECBINFHSA-N 0 1 392.876 1.921 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001575223844 948771444 /nfs/dbraw/zinc/77/14/44/948771444.db2.gz GMVXEHWLFXXZIJ-WDEREUQCSA-N 0 1 378.387 1.129 20 0 GDADMN C[C@@H](CNC(=O)CCc1cccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574915982 948773917 /nfs/dbraw/zinc/77/39/17/948773917.db2.gz ZYSKMAQXCSWRSX-VIFPVBQESA-N 0 1 392.876 1.921 20 0 GDADMN CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575226936 948821423 /nfs/dbraw/zinc/82/14/23/948821423.db2.gz PRGDPPUSGVHRIW-MNOVXSKESA-N 0 1 378.387 1.272 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574421812 948823018 /nfs/dbraw/zinc/82/30/18/948823018.db2.gz QESGWZZJGXEYDJ-HAQNSBGRSA-N 0 1 382.428 1.416 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575227320 948826296 /nfs/dbraw/zinc/82/62/96/948826296.db2.gz SUAXENNUTKJALO-GHMZBOCLSA-N 0 1 378.387 1.272 20 0 GDADMN C[C@H](CNC(=O)CCCn1cccn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917944 948829690 /nfs/dbraw/zinc/82/96/90/948829690.db2.gz CXDHJLDOTJIHTM-CYBMUJFWSA-N 0 1 388.501 1.542 20 0 GDADMN C[C@H](CNC(=O)CCCn1cccn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917944 948829709 /nfs/dbraw/zinc/82/97/09/948829709.db2.gz CXDHJLDOTJIHTM-CYBMUJFWSA-N 0 1 388.501 1.542 20 0 GDADMN CC(F)(F)CC(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575231916 948868133 /nfs/dbraw/zinc/86/81/33/948868133.db2.gz APPAWXRKWXJEMM-HNNXBMFYSA-N 0 1 380.403 1.425 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575233561 948888154 /nfs/dbraw/zinc/88/81/54/948888154.db2.gz LJRWSBSWBHSEML-WDEREUQCSA-N 0 1 380.403 1.211 20 0 GDADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@H]1CCCCN1C ZINC001574684919 948895943 /nfs/dbraw/zinc/89/59/43/948895943.db2.gz PEANZCPMJHONAL-SMDDNHRTSA-N 0 1 392.895 1.706 20 0 GDADMN CC(F)(F)CCC(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575234390 948900070 /nfs/dbraw/zinc/90/00/70/948900070.db2.gz BWBCRWGBSWWSFW-UHFFFAOYSA-N 0 1 380.403 1.307 20 0 GDADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574087926 948903885 /nfs/dbraw/zinc/90/38/85/948903885.db2.gz BMCOOBRGORPQIH-AUUYWEPGSA-N 0 1 384.488 1.672 20 0 GDADMN CC(C)[C@@H]1CCCCCN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001574088154 948909210 /nfs/dbraw/zinc/90/92/10/948909210.db2.gz BDZSYFJLSDVDRO-HNNXBMFYSA-N 0 1 378.502 1.936 20 0 GDADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001574685652 948916230 /nfs/dbraw/zinc/91/62/30/948916230.db2.gz YLQBUKGEUJKONV-QWRGUYRKSA-N 0 1 387.423 1.309 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573774069 949001445 /nfs/dbraw/zinc/00/14/45/949001445.db2.gz PXYHRMDQLKETRV-CQSZACIVSA-N 0 1 378.440 1.329 20 0 GDADMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000361982453 971533707 /nfs/dbraw/zinc/53/37/07/971533707.db2.gz UFVRJTVCIDQIBZ-HNNXBMFYSA-N 0 1 375.469 1.593 20 0 GDADMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000361982453 971533711 /nfs/dbraw/zinc/53/37/11/971533711.db2.gz UFVRJTVCIDQIBZ-HNNXBMFYSA-N 0 1 375.469 1.593 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1)[NH+]1CCCC1 ZINC001573775295 949038600 /nfs/dbraw/zinc/03/86/00/949038600.db2.gz VWYXJBFTBZRZHV-UHFFFAOYSA-N 0 1 387.463 1.941 20 0 GDADMN CC(C)[C@@H]1C[C@H](CC(=O)NCCN(C)c2ccncc2-c2nn[nH]n2)CCO1 ZINC001574092255 949052760 /nfs/dbraw/zinc/05/27/60/949052760.db2.gz MYGMKXUKBNTMKS-PBHICJAKSA-N 0 1 387.488 1.655 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574694133 949069306 /nfs/dbraw/zinc/06/93/06/949069306.db2.gz LWEIBGKKHYBMLN-CJNGLKHVSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574695180 949102808 /nfs/dbraw/zinc/10/28/08/949102808.db2.gz DPSTURHMORESTC-BDAKNGLRSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574695180 949102815 /nfs/dbraw/zinc/10/28/15/949102815.db2.gz DPSTURHMORESTC-BDAKNGLRSA-N 0 1 384.897 1.378 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573781219 949105275 /nfs/dbraw/zinc/10/52/75/949105275.db2.gz DULJWESKKSEOPA-VHSXEESVSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001574093921 949123751 /nfs/dbraw/zinc/12/37/51/949123751.db2.gz TVSGFWKTVWUXJF-VHSXEESVSA-N 0 1 381.893 1.917 20 0 GDADMN C[C@@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575251289 949135013 /nfs/dbraw/zinc/13/50/13/949135013.db2.gz AHYQGPZTSYSIAX-ZIAGYGMSSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575252217 949156139 /nfs/dbraw/zinc/15/61/39/949156139.db2.gz PKZNYDXLYCMQAU-OLZOCXBDSA-N 0 1 380.456 1.362 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574447347 949159045 /nfs/dbraw/zinc/15/90/45/949159045.db2.gz MQCGCLVMUSZKOM-LLVKDONJSA-N 0 1 383.416 1.167 20 0 GDADMN C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575252705 949170652 /nfs/dbraw/zinc/17/06/52/949170652.db2.gz GWWQQYMKPQPLLC-STQMWFEESA-N 0 1 387.463 1.939 20 0 GDADMN C[C@@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575252793 949171627 /nfs/dbraw/zinc/17/16/27/949171627.db2.gz HMAQSGYRCZPHCO-CHWSQXEVSA-N 0 1 388.451 1.660 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573787591 949182967 /nfs/dbraw/zinc/18/29/67/949182967.db2.gz YGPGCQJPRUQGBZ-GASCZTMLSA-N 0 1 384.488 1.585 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574934955 949188128 /nfs/dbraw/zinc/18/81/28/949188128.db2.gz VXUQGCSRNCDZDK-ZDUSSCGKSA-N 0 1 384.415 1.679 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575515671 949195533 /nfs/dbraw/zinc/19/55/33/949195533.db2.gz KCIVGURYEFOOGY-LBPRGKRZSA-N 0 1 381.444 1.188 20 0 GDADMN CC(C)c1scnc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574451100 949210710 /nfs/dbraw/zinc/21/07/10/949210710.db2.gz BTEGBMTWUKLSRF-UHFFFAOYSA-N 0 1 385.457 1.033 20 0 GDADMN C[C@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576152207 949243357 /nfs/dbraw/zinc/24/33/57/949243357.db2.gz IZNLLCJYOGKZEA-UONOGXRCSA-N 0 1 384.488 1.910 20 0 GDADMN CC1=C(C)C[C@](C)(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575860199 949292120 /nfs/dbraw/zinc/29/21/20/949292120.db2.gz DFZOKJOKJXKEDS-IFXJQAMLSA-N 0 1 384.488 1.864 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703090 949307485 /nfs/dbraw/zinc/30/74/85/949307485.db2.gz QNFOACKAGSWKSP-WPPNPWJKSA-N 0 1 389.844 1.364 20 0 GDADMN CC1(C(=O)N(CCNc2ccnc(-c3nn[nH]n3)n2)CCc2ccccc2)CC1 ZINC001575524392 949313170 /nfs/dbraw/zinc/31/31/70/949313170.db2.gz HNBAKUHTZUXETF-UHFFFAOYSA-N 0 1 392.467 1.362 20 0 GDADMN CC1=CC[C@@](C)(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)CC1 ZINC001575863413 949349868 /nfs/dbraw/zinc/34/98/68/949349868.db2.gz CKANMGJLPKTFLK-STXHMFSFSA-N 0 1 396.499 1.722 20 0 GDADMN C[C@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576154908 949370181 /nfs/dbraw/zinc/37/01/81/949370181.db2.gz SFHVPAGIYWBKFJ-ORAYPTAESA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)n1ccc(CNC2CC(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574460146 949374056 /nfs/dbraw/zinc/37/40/56/949374056.db2.gz QEJOCVPTBFAPKP-UHFFFAOYSA-N 0 1 383.460 1.270 20 0 GDADMN CC(C)CC(=O)NC1(CO)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001574111448 949378844 /nfs/dbraw/zinc/37/88/44/949378844.db2.gz HOLYXHIVNFRCSC-UHFFFAOYSA-N 0 1 390.463 1.495 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704421 949390805 /nfs/dbraw/zinc/39/08/05/949390805.db2.gz CFPWSZCYXCKMOR-BLLLJJGKSA-N 0 1 376.436 1.511 20 0 GDADMN CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575528289 949394318 /nfs/dbraw/zinc/39/43/18/949394318.db2.gz QSTOBDZDZMXWPR-XUXIUFHCSA-N 0 1 380.456 1.130 20 0 GDADMN CC(C)n1cnc(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)c1 ZINC001574464353 949410101 /nfs/dbraw/zinc/41/01/01/949410101.db2.gz LYDHAVUEYXHIGE-UHFFFAOYSA-N 0 1 381.444 1.438 20 0 GDADMN C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001576156658 949456266 /nfs/dbraw/zinc/45/62/66/949456266.db2.gz ZAAHZLNTHNPDBP-PJHJGJPPSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574707184 949467175 /nfs/dbraw/zinc/46/71/75/949467175.db2.gz NUWVIBDOOUPCPZ-PNESKVBLSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574707184 949467160 /nfs/dbraw/zinc/46/71/60/949467160.db2.gz NUWVIBDOOUPCPZ-PNESKVBLSA-N 0 1 378.502 1.416 20 0 GDADMN CC(C)(C)C(=O)NCc1ccc(CCNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573806470 949488455 /nfs/dbraw/zinc/48/84/55/949488455.db2.gz OPVVNACTOQRPIF-UHFFFAOYSA-N 0 1 380.456 1.396 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[NH+](C)C ZINC001576157712 949492563 /nfs/dbraw/zinc/49/25/63/949492563.db2.gz RRKXMCNLDWFZFQ-FZKQIMNGSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[NH+](C)C ZINC001576157712 949492579 /nfs/dbraw/zinc/49/25/79/949492579.db2.gz RRKXMCNLDWFZFQ-FZKQIMNGSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575871057 949504879 /nfs/dbraw/zinc/50/48/79/949504879.db2.gz YFJRKRLAMMROQM-VHSXEESVSA-N 0 1 378.387 1.176 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001574470729 949508617 /nfs/dbraw/zinc/50/86/17/949508617.db2.gz SZCALTAYROJUJW-CYBMUJFWSA-N 0 1 381.444 1.295 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574470733 949514879 /nfs/dbraw/zinc/51/48/79/949514879.db2.gz FUNNOMKQLHRLSM-UONOGXRCSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576159403 949516309 /nfs/dbraw/zinc/51/63/09/949516309.db2.gz XERKFNNIYMCZGS-YHUYYLMFSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@H]1CCCN(C(=O)CC2(C)CC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164581 949558952 /nfs/dbraw/zinc/55/89/52/949558952.db2.gz HOLZZHRTCSUMOR-KBPBESRZSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873163 949572236 /nfs/dbraw/zinc/57/22/36/949572236.db2.gz NYHHFZXWMUXKHZ-MNOVXSKESA-N 0 1 380.403 1.566 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873174 949573875 /nfs/dbraw/zinc/57/38/75/949573875.db2.gz ODCDXZPDGWFDLW-MWLCHTKSSA-N 0 1 378.387 1.176 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCCCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576165967 949575536 /nfs/dbraw/zinc/57/55/36/949575536.db2.gz KREGWEYOKOZWQO-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574712253 949575797 /nfs/dbraw/zinc/57/57/97/949575797.db2.gz RDZDEBCQMKEFCU-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574712253 949575815 /nfs/dbraw/zinc/57/58/15/949575815.db2.gz RDZDEBCQMKEFCU-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574712253 949575838 /nfs/dbraw/zinc/57/58/38/949575838.db2.gz RDZDEBCQMKEFCU-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574712253 949575858 /nfs/dbraw/zinc/57/58/58/949575858.db2.gz RDZDEBCQMKEFCU-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575270753 949599648 /nfs/dbraw/zinc/59/96/48/949599648.db2.gz GAKVBHGCZGEVJS-IUCAKERBSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575270753 949599662 /nfs/dbraw/zinc/59/96/62/949599662.db2.gz GAKVBHGCZGEVJS-IUCAKERBSA-N 0 1 386.913 1.624 20 0 GDADMN CC1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001575545648 949600458 /nfs/dbraw/zinc/60/04/58/949600458.db2.gz MUPDARMAOLKGQI-UONOGXRCSA-N 0 1 382.472 1.807 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874321 949611192 /nfs/dbraw/zinc/61/11/92/949611192.db2.gz FYAGVMKVCJVQFK-DOMZBBRYSA-N 0 1 381.444 1.091 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ncccn1 ZINC001573812732 949623253 /nfs/dbraw/zinc/62/32/53/949623253.db2.gz TVTAZBDLGNJFRZ-CYBMUJFWSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ncccn1 ZINC001573812732 949623272 /nfs/dbraw/zinc/62/32/72/949623272.db2.gz TVTAZBDLGNJFRZ-CYBMUJFWSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001573815597 949656939 /nfs/dbraw/zinc/65/69/39/949656939.db2.gz JBJULJQCKGQCST-COMQUAJESA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576169260 949671704 /nfs/dbraw/zinc/67/17/04/949671704.db2.gz GAXKEBGIXQBPPZ-SUMWQHHRSA-N 0 1 380.456 1.293 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574959792 949717930 /nfs/dbraw/zinc/71/79/30/949717930.db2.gz UERXVHCMARAOOO-TUKIKUTGSA-N 0 1 383.481 1.721 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574959792 949717945 /nfs/dbraw/zinc/71/79/45/949717945.db2.gz UERXVHCMARAOOO-TUKIKUTGSA-N 0 1 383.481 1.721 20 0 GDADMN C[C@H]1CCCN(C(=O)CN2CCCC2)[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576171009 949740913 /nfs/dbraw/zinc/74/09/13/949740913.db2.gz ONZIRWYTOCSALS-GOEBONIOSA-N 0 1 384.488 1.397 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(F)cn1 ZINC001573819032 949749597 /nfs/dbraw/zinc/74/95/97/949749597.db2.gz RFPMWKPVLKJWGH-OAHLLOKOSA-N 0 1 384.419 1.474 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574137500 949760990 /nfs/dbraw/zinc/76/09/90/949760990.db2.gz VAONAKGKXRHAOV-KUHUBIRLSA-N 0 1 386.504 1.801 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171494 949765501 /nfs/dbraw/zinc/76/55/01/949765501.db2.gz RGBKYKVZVFKQPC-UKRRQHHQSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171494 949765508 /nfs/dbraw/zinc/76/55/08/949765508.db2.gz RGBKYKVZVFKQPC-UKRRQHHQSA-N 0 1 387.492 1.038 20 0 GDADMN CC1(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)CCCC1 ZINC001575560209 949781085 /nfs/dbraw/zinc/78/10/85/949781085.db2.gz MJWPZALSWVLZGY-CYBMUJFWSA-N 0 1 382.472 1.712 20 0 GDADMN CC(C)C[C@H](C)CN1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574138237 949790475 /nfs/dbraw/zinc/79/04/75/949790475.db2.gz BPJLSNMQTFGYLE-DZGCQCFKSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576172323 949799638 /nfs/dbraw/zinc/79/96/38/949799638.db2.gz TZISXXTZNIMBFS-UKRRQHHQSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575561036 949802234 /nfs/dbraw/zinc/80/22/34/949802234.db2.gz XRTKJGLPRXXYTF-VCMHEYGDSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575561036 949802257 /nfs/dbraw/zinc/80/22/57/949802257.db2.gz XRTKJGLPRXXYTF-VCMHEYGDSA-N 0 1 376.486 1.339 20 0 GDADMN CC1(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC(F)(F)C1 ZINC001575561786 949816392 /nfs/dbraw/zinc/81/63/92/949816392.db2.gz CKUXTMBTUPQMBN-UHFFFAOYSA-N 0 1 392.414 1.353 20 0 GDADMN C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576172971 949825311 /nfs/dbraw/zinc/82/53/11/949825311.db2.gz VYVXCRULLRBNST-JONQDZQNSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574965963 949826095 /nfs/dbraw/zinc/82/60/95/949826095.db2.gz QBPORJVMRJTGBZ-PNPHSEOMSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574965963 949826115 /nfs/dbraw/zinc/82/61/15/949826115.db2.gz QBPORJVMRJTGBZ-PNPHSEOMSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574722279 949833657 /nfs/dbraw/zinc/83/36/57/949833657.db2.gz ROVKJSPGQJQHFL-CQSZACIVSA-N 0 1 380.456 1.360 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574140606 949835227 /nfs/dbraw/zinc/83/52/27/949835227.db2.gz OPBYWNNZAMKYRE-YJNKXOJESA-N 0 1 384.488 1.955 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2cccnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180520 949961361 /nfs/dbraw/zinc/96/13/61/949961361.db2.gz DWYNVZKIRJIJEX-GDBMZVCRSA-N 0 1 392.467 1.218 20 0 GDADMN CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573829975 949967172 /nfs/dbraw/zinc/96/71/72/949967172.db2.gz GFOCQPFJXXVBNE-IBGZPJMESA-N 0 1 384.488 1.912 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574728719 950004593 /nfs/dbraw/zinc/00/45/93/950004593.db2.gz ICWLCDNLAMQUSX-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccncn1 ZINC001574150870 950040080 /nfs/dbraw/zinc/04/00/80/950040080.db2.gz FWNNXPOXVDOQTM-GFCCVEGCSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccncn1 ZINC001574150870 950040099 /nfs/dbraw/zinc/04/00/99/950040099.db2.gz FWNNXPOXVDOQTM-GFCCVEGCSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)C[C@@H](CN[C@@H](C)c1cnccn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151017 950051408 /nfs/dbraw/zinc/05/14/08/950051408.db2.gz JLGWEBFFCYFCJJ-STQMWFEESA-N 0 1 383.460 1.480 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574492141 950061990 /nfs/dbraw/zinc/06/19/90/950061990.db2.gz JQVLPSPYEBSRGT-OLZOCXBDSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@H](C(=O)[O-])[NH+]1CCC(c2nc(CNC(=O)OCc3ccccc3)n[nH]2)CC1 ZINC001602822090 971632280 /nfs/dbraw/zinc/63/22/80/971632280.db2.gz ZOZSDVFQGUJQIK-CYBMUJFWSA-N 0 1 387.440 1.884 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001574492393 950083858 /nfs/dbraw/zinc/08/38/58/950083858.db2.gz ANXVZSGXBNZHMG-ZFWWWQNUSA-N 0 1 387.488 1.179 20 0 GDADMN C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001574492447 950084128 /nfs/dbraw/zinc/08/41/28/950084128.db2.gz MVHXRYPRFXYXCG-VIFPVBQESA-N 0 1 384.366 1.330 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574152874 950119538 /nfs/dbraw/zinc/11/95/38/950119538.db2.gz LBDWAVHOVJEUKN-NVXWUHKLSA-N 0 1 388.520 1.791 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575896808 950136418 /nfs/dbraw/zinc/13/64/18/950136418.db2.gz NRXGOMSWJKCJNC-BXUZGUMPSA-N 0 1 386.485 1.445 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576184727 950142588 /nfs/dbraw/zinc/14/25/88/950142588.db2.gz XIFWDQIUMRBPGC-BLLLJJGKSA-N 0 1 382.428 1.415 20 0 GDADMN CC1(C(=O)NC[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575583796 950153709 /nfs/dbraw/zinc/15/37/09/950153709.db2.gz NTUSUXQGJLOGSR-CQSZACIVSA-N 0 1 385.472 1.411 20 0 GDADMN CC(C)(C)CC[C@H](NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1)C(N)=O ZINC001573843046 950164351 /nfs/dbraw/zinc/16/43/51/950164351.db2.gz POPGBCWAOJXIBJ-LURJTMIESA-N 0 1 386.869 1.778 20 0 GDADMN C[C@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001574494496 950166832 /nfs/dbraw/zinc/16/68/32/950166832.db2.gz ZRYRGRSSGUHMPQ-DYVFJYSZSA-N 0 1 385.472 1.552 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CC12CCCC2 ZINC001574156010 950217955 /nfs/dbraw/zinc/21/79/55/950217955.db2.gz UHZNQDLCVNDHHC-UONOGXRCSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192151 950228855 /nfs/dbraw/zinc/22/88/55/950228855.db2.gz LZBYPRZPFRTZFC-VXGBXAGGSA-N 0 1 384.419 1.361 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574741212 950240951 /nfs/dbraw/zinc/24/09/51/950240951.db2.gz IHLADEBQZBEJDD-PNPHSEOMSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574741212 950240972 /nfs/dbraw/zinc/24/09/72/950240972.db2.gz IHLADEBQZBEJDD-PNPHSEOMSA-N 0 1 390.513 1.824 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573847069 950260191 /nfs/dbraw/zinc/26/01/91/950260191.db2.gz ZDGMGNRYZZBRII-BFHYXJOUSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cncs1 ZINC001575904722 950280674 /nfs/dbraw/zinc/28/06/74/950280674.db2.gz AMCGVMLOYFYLTN-ONGXEEELSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cncs1 ZINC001575904722 950280694 /nfs/dbraw/zinc/28/06/94/950280694.db2.gz AMCGVMLOYFYLTN-ONGXEEELSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905776 950301886 /nfs/dbraw/zinc/30/18/86/950301886.db2.gz FILYPUBKJWCROK-ZWNOBZJWSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905776 950301908 /nfs/dbraw/zinc/30/19/08/950301908.db2.gz FILYPUBKJWCROK-ZWNOBZJWSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@@H]1[C@@H](NCc2cc(F)ccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575906021 950304940 /nfs/dbraw/zinc/30/49/40/950304940.db2.gz FZHMHCQEWMSWKD-BMIGLBTASA-N 0 1 387.394 1.866 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576194006 950321414 /nfs/dbraw/zinc/32/14/14/950321414.db2.gz XDMFXOZTXPVMFC-VXGBXAGGSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576194006 950321435 /nfs/dbraw/zinc/32/14/35/950321435.db2.gz XDMFXOZTXPVMFC-VXGBXAGGSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907219 950331759 /nfs/dbraw/zinc/33/17/59/950331759.db2.gz MWOIHARJAMTABD-YPMHNXCESA-N 0 1 378.502 1.822 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907219 950331781 /nfs/dbraw/zinc/33/17/81/950331781.db2.gz MWOIHARJAMTABD-YPMHNXCESA-N 0 1 378.502 1.822 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574502686 950388377 /nfs/dbraw/zinc/38/83/77/950388377.db2.gz PVXXHPZYMYVRFG-CQSZACIVSA-N 0 1 380.456 1.263 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)Cc1ccc(F)c(F)c1 ZINC001574991323 950396512 /nfs/dbraw/zinc/39/65/12/950396512.db2.gz KCUDBNCODIPPCT-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574503113 950403223 /nfs/dbraw/zinc/40/32/23/950403223.db2.gz UASPVRUIVONZPO-GJZGRUSLSA-N 0 1 392.467 1.793 20 0 GDADMN CC(C)CC1(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCC1 ZINC001574163011 950413662 /nfs/dbraw/zinc/41/36/62/950413662.db2.gz PJTJMXCARKMBJV-UHFFFAOYSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(F)cc(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574750574 950430533 /nfs/dbraw/zinc/43/05/33/950430533.db2.gz DAGRYFOBRMNPRN-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574163822 950435186 /nfs/dbraw/zinc/43/51/86/950435186.db2.gz YXCATHPODPYUBX-DZGCQCFKSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574163822 950435195 /nfs/dbraw/zinc/43/51/95/950435195.db2.gz YXCATHPODPYUBX-DZGCQCFKSA-N 0 1 389.508 1.186 20 0 GDADMN C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574506777 950441707 /nfs/dbraw/zinc/44/17/07/950441707.db2.gz FMDRIPHFXMRDGY-STQMWFEESA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H]1C[N@@H+](CCN(C)C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000263417301 950451736 /nfs/dbraw/zinc/45/17/36/950451736.db2.gz KHIXVWXQRDHNFS-RVKKMQEKSA-N 0 1 388.468 1.274 20 0 GDADMN C[C@@H]1C[N@H+](CCN(C)C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000263417301 950451745 /nfs/dbraw/zinc/45/17/45/950451745.db2.gz KHIXVWXQRDHNFS-RVKKMQEKSA-N 0 1 388.468 1.274 20 0 GDADMN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cccn1 ZINC001574507769 950463261 /nfs/dbraw/zinc/46/32/61/950463261.db2.gz ILWHUZDMWSJPCO-QWHCGFSZSA-N 0 1 388.501 1.760 20 0 GDADMN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1cccn1 ZINC001574507769 950463269 /nfs/dbraw/zinc/46/32/69/950463269.db2.gz ILWHUZDMWSJPCO-QWHCGFSZSA-N 0 1 388.501 1.760 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H](C)n1cccn1 ZINC001574508035 950468173 /nfs/dbraw/zinc/46/81/73/950468173.db2.gz LSJZUAFPCXDVTG-STQMWFEESA-N 0 1 386.435 1.448 20 0 GDADMN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575605939 950492780 /nfs/dbraw/zinc/49/27/80/950492780.db2.gz XBCRDWWUKSKCGO-JKDFXYPNSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575605939 950492797 /nfs/dbraw/zinc/49/27/97/950492797.db2.gz XBCRDWWUKSKCGO-JKDFXYPNSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC=C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753000 950510993 /nfs/dbraw/zinc/51/09/93/950510993.db2.gz IFWDWEGTFQVJDX-ZDUSSCGKSA-N 0 1 390.451 1.611 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(F)cn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574753789 950542344 /nfs/dbraw/zinc/54/23/44/950542344.db2.gz SGFTXSGNMDZVOS-NSHDSACASA-N 0 1 387.394 1.790 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001576205970 950548692 /nfs/dbraw/zinc/54/86/92/950548692.db2.gz SCLVLXPMZOFEQK-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001576205970 950548708 /nfs/dbraw/zinc/54/87/08/950548708.db2.gz SCLVLXPMZOFEQK-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)no1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574999452 950579165 /nfs/dbraw/zinc/57/91/65/950579165.db2.gz KDWVAEQNMQZEMV-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513748 950619929 /nfs/dbraw/zinc/61/99/29/950619929.db2.gz XZMWHTMUMSVGCB-NWDGAFQWSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513748 950619939 /nfs/dbraw/zinc/61/99/39/950619939.db2.gz XZMWHTMUMSVGCB-NWDGAFQWSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576208991 950620570 /nfs/dbraw/zinc/62/05/70/950620570.db2.gz XTHJDPOZFFZXHS-FVQBIDKESA-N 0 1 384.488 1.443 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576208991 950620583 /nfs/dbraw/zinc/62/05/83/950620583.db2.gz XTHJDPOZFFZXHS-FVQBIDKESA-N 0 1 384.488 1.443 20 0 GDADMN CC(C)CCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001574174475 950634951 /nfs/dbraw/zinc/63/49/51/950634951.db2.gz ISIIOFXTMNQHPN-KBPBESRZSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccn1 ZINC001575923510 950664563 /nfs/dbraw/zinc/66/45/63/950664563.db2.gz BSZGZAHYSFHHHE-CJNGLKHVSA-N 0 1 378.440 1.113 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575002788 950669623 /nfs/dbraw/zinc/66/96/23/950669623.db2.gz WXWXGBTVPJPTCZ-SNVBAGLBSA-N 0 1 384.469 1.107 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573877474 950692617 /nfs/dbraw/zinc/69/26/17/950692617.db2.gz BQDVLBCCGVQWGO-MGPQQGTHSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575926317 950704822 /nfs/dbraw/zinc/70/48/22/950704822.db2.gz JFUCNNGMXPIBOL-RISCZKNCSA-N 0 1 378.440 1.216 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574763460 950715394 /nfs/dbraw/zinc/71/53/94/950715394.db2.gz BJQFTEBTSVUVIV-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574763460 950715408 /nfs/dbraw/zinc/71/54/08/950715408.db2.gz BJQFTEBTSVUVIV-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575927721 950753024 /nfs/dbraw/zinc/75/30/24/950753024.db2.gz SWRSPXRDADIROK-GWCFXTLKSA-N 0 1 380.412 1.264 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnns1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574764790 950760842 /nfs/dbraw/zinc/76/08/42/950760842.db2.gz YMFAYOAJSFPKEM-SECBINFHSA-N 0 1 376.421 1.108 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccnnc1 ZINC001575931119 950801500 /nfs/dbraw/zinc/80/15/00/950801500.db2.gz GWTQSBMPNVSPOQ-CBAPKCEASA-N 0 1 391.848 1.482 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574523948 950841524 /nfs/dbraw/zinc/84/15/24/950841524.db2.gz SLGCKBXRXNXXGK-NEPJUHHUSA-N 0 1 389.485 1.922 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574523948 950841542 /nfs/dbraw/zinc/84/15/42/950841542.db2.gz SLGCKBXRXNXXGK-NEPJUHHUSA-N 0 1 389.485 1.922 20 0 GDADMN CCOC(=O)C1=C(C[N@@H+](CC(=O)[O-])CC(C)(C)C)NC(=O)N[C@H]1c1ccco1 ZINC001590178268 950852312 /nfs/dbraw/zinc/85/23/12/950852312.db2.gz HYOUXHDFYCPADR-INIZCTEOSA-N 0 1 393.440 1.883 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576222209 950868366 /nfs/dbraw/zinc/86/83/66/950868366.db2.gz XURGPGLJPNSDAG-SKDRFNHKSA-N 0 1 381.362 1.285 20 0 GDADMN CCOC(=O)C1=C(C[N@H+](CC(=O)[O-])CC2CC2)NC(=O)N[C@H]1c1ccco1 ZINC001590179871 950872419 /nfs/dbraw/zinc/87/24/19/950872419.db2.gz UGFWGESLNLAINL-INIZCTEOSA-N 0 1 377.397 1.247 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576225936 950876652 /nfs/dbraw/zinc/87/66/52/950876652.db2.gz ACTFLUMXKWGXPN-IAQYHMDHSA-N 0 1 391.426 1.768 20 0 GDADMN CC(C)(CC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573893517 950888533 /nfs/dbraw/zinc/88/85/33/950888533.db2.gz JXVFYHMDLWTXME-ZDUSSCGKSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574189604 950892396 /nfs/dbraw/zinc/89/23/96/950892396.db2.gz OMQDSHJCAUOJIE-KKUMJFAQSA-N 0 1 384.488 1.957 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CCO1 ZINC001575937751 950963353 /nfs/dbraw/zinc/96/33/53/950963353.db2.gz HAHLBXHEAQTLHX-HIFRSBDPSA-N 0 1 390.463 1.711 20 0 GDADMN CC(C)CCCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001574195436 950981421 /nfs/dbraw/zinc/98/14/21/950981421.db2.gz OMOXMQYMFUSFLN-HNNXBMFYSA-N 0 1 387.488 1.594 20 0 GDADMN CC(C)CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574195430 950983337 /nfs/dbraw/zinc/98/33/37/950983337.db2.gz ODNRGTGCAAAXIH-HNNXBMFYSA-N 0 1 375.477 1.452 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)nc1 ZINC001575017322 950986880 /nfs/dbraw/zinc/98/68/80/950986880.db2.gz DEZNNUMYENXQRC-CYBMUJFWSA-N 0 1 380.456 1.680 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575644744 950994115 /nfs/dbraw/zinc/99/41/15/950994115.db2.gz WQBIMWWXRQFYOR-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575644744 950994133 /nfs/dbraw/zinc/99/41/33/950994133.db2.gz WQBIMWWXRQFYOR-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1csnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574530870 950999817 /nfs/dbraw/zinc/99/98/17/950999817.db2.gz YEKYRTUVZMGDMN-BDAKNGLRSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1csnn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574530870 950999832 /nfs/dbraw/zinc/99/98/32/950999832.db2.gz YEKYRTUVZMGDMN-BDAKNGLRSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575939079 951000376 /nfs/dbraw/zinc/00/03/76/951000376.db2.gz OUIREGFGGYLZJL-OLZOCXBDSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575939079 951000394 /nfs/dbraw/zinc/00/03/94/951000394.db2.gz OUIREGFGGYLZJL-OLZOCXBDSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575020124 951049972 /nfs/dbraw/zinc/04/99/72/951049972.db2.gz YUNTWDFNUYZGOH-SECBINFHSA-N 0 1 389.370 1.244 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024206 951094878 /nfs/dbraw/zinc/09/48/78/951094878.db2.gz XWBHSJXSWGVLME-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c(C(=O)[O-])c1C ZINC001591466777 951149064 /nfs/dbraw/zinc/14/90/64/951149064.db2.gz NGSYLIBYDLHACZ-JQWIXIFHSA-N 0 1 398.481 1.820 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c(C(=O)[O-])c1C ZINC001591466777 951149069 /nfs/dbraw/zinc/14/90/69/951149069.db2.gz NGSYLIBYDLHACZ-JQWIXIFHSA-N 0 1 398.481 1.820 20 0 GDADMN C[C@H](CNC(=O)c1ccncc1Cl)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575034987 951262890 /nfs/dbraw/zinc/26/28/90/951262890.db2.gz RQEACTIECHVBLX-SNVBAGLBSA-N 0 1 389.822 1.962 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575042033 951356037 /nfs/dbraw/zinc/35/60/37/951356037.db2.gz FZTCMJCXNPXMON-NSHDSACASA-N 0 1 381.444 1.127 20 0 GDADMN C[C@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575042031 951356755 /nfs/dbraw/zinc/35/67/55/951356755.db2.gz FZTCMJCXNPXMON-LLVKDONJSA-N 0 1 381.444 1.127 20 0 GDADMN C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575056024 951516548 /nfs/dbraw/zinc/51/65/48/951516548.db2.gz DRTCBWXDHURILX-SNVBAGLBSA-N 0 1 384.469 1.850 20 0 GDADMN C[C@H](CNC(=O)c1csc(Cl)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575057474 951530292 /nfs/dbraw/zinc/53/02/92/951530292.db2.gz PPCFARAJMUUNDY-QMMMGPOBSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575059335 951540528 /nfs/dbraw/zinc/54/05/28/951540528.db2.gz ZOAZRHAVEYSJDE-SNVBAGLBSA-N 0 1 386.485 1.668 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)C1=O ZINC001595074193 951626673 /nfs/dbraw/zinc/62/66/73/951626673.db2.gz NKMKMOWSTQONII-CVEARBPZSA-N 0 1 381.473 1.585 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)C1=O ZINC001595074193 951626682 /nfs/dbraw/zinc/62/66/82/951626682.db2.gz NKMKMOWSTQONII-CVEARBPZSA-N 0 1 381.473 1.585 20 0 GDADMN C[C@@H](CNC(=O)c1nccs1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575068304 951634321 /nfs/dbraw/zinc/63/43/21/951634321.db2.gz ZSXHIZJDWVOWGX-LURJTMIESA-N 0 1 384.878 1.911 20 0 GDADMN C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ncccc1[O-] ZINC001575077842 951674503 /nfs/dbraw/zinc/67/45/03/951674503.db2.gz IONZTRHDVPYEMR-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575089414 951749027 /nfs/dbraw/zinc/74/90/27/951749027.db2.gz FLNALHJRJTYTNW-SCLBCKFNSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575089414 951749033 /nfs/dbraw/zinc/74/90/33/951749033.db2.gz FLNALHJRJTYTNW-SCLBCKFNSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001575089522 951750544 /nfs/dbraw/zinc/75/05/44/951750544.db2.gz GJYTXHPBUFUOSS-KBXCAEBGSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001575089522 951750551 /nfs/dbraw/zinc/75/05/51/951750551.db2.gz GJYTXHPBUFUOSS-KBXCAEBGSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575090115 951757364 /nfs/dbraw/zinc/75/73/64/951757364.db2.gz JORJEKIIVFSEOV-CYHLAULCSA-N 0 1 388.447 1.510 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575091349 951774015 /nfs/dbraw/zinc/77/40/15/951774015.db2.gz RUSWAIHOLMSLNL-SGTLLEGYSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575091349 951774024 /nfs/dbraw/zinc/77/40/24/951774024.db2.gz RUSWAIHOLMSLNL-SGTLLEGYSA-N 0 1 390.513 1.729 20 0 GDADMN O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1=O ZINC001595091968 951785481 /nfs/dbraw/zinc/78/54/81/951785481.db2.gz XFQZUMDKODPQKX-IAGOWNOFSA-N 0 1 394.516 1.548 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098162 951822005 /nfs/dbraw/zinc/82/20/05/951822005.db2.gz BSBMHQXKFZDVMF-SNVBAGLBSA-N 0 1 375.433 1.618 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098162 951822017 /nfs/dbraw/zinc/82/20/17/951822017.db2.gz BSBMHQXKFZDVMF-SNVBAGLBSA-N 0 1 375.433 1.618 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cncnc1 ZINC001575098982 951828277 /nfs/dbraw/zinc/82/82/77/951828277.db2.gz GRBUKAYDGCCQLZ-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cncnc1 ZINC001575098982 951828283 /nfs/dbraw/zinc/82/82/83/951828283.db2.gz GRBUKAYDGCCQLZ-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CNCc1cccc(F)c1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575114318 951956501 /nfs/dbraw/zinc/95/65/01/951956501.db2.gz PEHHCCAGHJJHTM-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575142101 952147094 /nfs/dbraw/zinc/14/70/94/952147094.db2.gz IVLPCYHUJDXQOG-CYBMUJFWSA-N 0 1 380.456 1.315 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(F)cccc1Cl ZINC001575143615 952154508 /nfs/dbraw/zinc/15/45/08/952154508.db2.gz BNMPIKNWQFKFRW-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575144490 952167735 /nfs/dbraw/zinc/16/77/35/952167735.db2.gz VYDAEQWJTQCVID-SNVBAGLBSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575145131 952178545 /nfs/dbraw/zinc/17/85/45/952178545.db2.gz QUSQSORTNSWZSP-CZUORRHYSA-N 0 1 383.431 1.523 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cscc1Cl ZINC001575145195 952179559 /nfs/dbraw/zinc/17/95/59/952179559.db2.gz SCPAXGKTGWJYKN-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C2CC2)cc1 ZINC001575145538 952185693 /nfs/dbraw/zinc/18/56/93/952185693.db2.gz ZOANZGJJGGGADV-LBPRGKRZSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCCc1cccnc1 ZINC001575147123 952199273 /nfs/dbraw/zinc/19/92/73/952199273.db2.gz QOHNESHEGINQCK-CQSZACIVSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C1CCOCC1 ZINC001575164100 952287090 /nfs/dbraw/zinc/28/70/90/952287090.db2.gz BLFXZQKERKVTRJ-MRVPVSSYSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575173792 952356456 /nfs/dbraw/zinc/35/64/56/952356456.db2.gz ABGJKQVMEQKOME-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575173792 952356462 /nfs/dbraw/zinc/35/64/62/952356462.db2.gz ABGJKQVMEQKOME-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN O=C([O-])c1ccc(Br)c(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC001595214148 952364768 /nfs/dbraw/zinc/36/47/68/952364768.db2.gz ACUHKZZUPUGBON-LLVKDONJSA-N 0 1 384.230 1.430 20 0 GDADMN O=C([O-])c1ccc(Br)c(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC001595214148 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375.483 1.318 20 0 GDADMN O=C(c1csc(Cl)c1)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571121621 952520194 /nfs/dbraw/zinc/52/01/94/952520194.db2.gz AUJILOFRZLCCRN-VIFPVBQESA-N 0 1 376.833 1.120 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571122797 952526471 /nfs/dbraw/zinc/52/64/71/952526471.db2.gz LJGDWLFEYPQKEU-GFCCVEGCSA-N 0 1 376.486 1.435 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571122797 952526475 /nfs/dbraw/zinc/52/64/75/952526475.db2.gz LJGDWLFEYPQKEU-GFCCVEGCSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123133 952528997 /nfs/dbraw/zinc/52/89/97/952528997.db2.gz PYEXGEDMQJFUDV-HKUMRIAESA-N 0 1 376.486 1.338 20 0 GDADMN C[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123133 952529000 /nfs/dbraw/zinc/52/90/00/952529000.db2.gz PYEXGEDMQJFUDV-HKUMRIAESA-N 0 1 376.486 1.338 20 0 GDADMN 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/nfs/dbraw/zinc/65/64/62/952656462.db2.gz QUWMJGKCBZOZSK-UHFFFAOYSA-N 0 1 379.428 1.149 20 0 GDADMN CC(=O)N(Cc1ccccn1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571147164 952658045 /nfs/dbraw/zinc/65/80/45/952658045.db2.gz HYJWFLWJGULRDW-UHFFFAOYSA-N 0 1 379.428 1.069 20 0 GDADMN Cc1c[nH]cc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571148212 952665530 /nfs/dbraw/zinc/66/55/30/952665530.db2.gz VOPLBLQAXAIUQO-UONOGXRCSA-N 0 1 379.428 1.177 20 0 GDADMN Cn1cncc1C1CCN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CC1 ZINC001571150461 952668799 /nfs/dbraw/zinc/66/87/99/952668799.db2.gz AZYRWCAYOYRSFA-UHFFFAOYSA-N 0 1 379.471 1.230 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@]12C[C@@H]1CCCC2 ZINC001571151863 952680349 /nfs/dbraw/zinc/68/03/49/952680349.db2.gz ZGQBUYVCPVZOSU-IMGGPBQRSA-N 0 1 379.468 1.640 20 0 GDADMN CC(C)CN1CCO[C@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571152911 952684198 /nfs/dbraw/zinc/68/41/98/952684198.db2.gz KWWDTDUKODWUPB-GFCCVEGCSA-N 0 1 379.490 1.084 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MLKUFCVWBKPSMR-IAGOWNOFSA-N 0 1 381.517 1.861 20 0 GDADMN CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001595734040 982372564 /nfs/dbraw/zinc/37/25/64/982372564.db2.gz JCEIGPWNQSTGRY-UHFFFAOYSA-N 0 1 379.461 1.027 20 0 GDADMN CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC001595737297 982392043 /nfs/dbraw/zinc/39/20/43/982392043.db2.gz UUYRTRJGWMKDNA-XJKSGUPXSA-N 0 1 377.441 1.102 20 0 GDADMN CCCN(C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1CC[N@H+](C)C1 ZINC001595823370 982698642 /nfs/dbraw/zinc/69/86/42/982698642.db2.gz UTWGEELKYNKVGF-CQSZACIVSA-N 0 1 383.470 1.736 20 0 GDADMN CCCN(C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1CC[N@@H+](C)C1 ZINC001595823370 982698651 /nfs/dbraw/zinc/69/86/51/982698651.db2.gz UTWGEELKYNKVGF-CQSZACIVSA-N 0 1 383.470 1.736 20 0 GDADMN CCCN(C)c1ccccc1NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001595840490 982761699 /nfs/dbraw/zinc/76/16/99/982761699.db2.gz YRUCUCCSTVXHNN-HXUWFJFHSA-N 0 1 390.484 1.926 20 0 GDADMN CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccco1 ZINC001594994701 982881810 /nfs/dbraw/zinc/88/18/10/982881810.db2.gz PRDPNHDZKYCUNU-HRCADAONSA-N 0 1 380.489 1.899 20 0 GDADMN CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccco1 ZINC001594994703 982882000 /nfs/dbraw/zinc/88/20/00/982882000.db2.gz PRDPNHDZKYCUNU-XHSDSOJGSA-N 0 1 380.489 1.899 20 0 GDADMN O=C([O-])[C@@]1([NH+]2CCN(C(=O)c3ccc(C4CCOCC4)cc3)CC2)CCOC1 ZINC001118913136 982965656 /nfs/dbraw/zinc/96/56/56/982965656.db2.gz DGPAWHMOHSBQCD-OAQYLSRUSA-N 0 1 388.464 1.582 20 0 GDADMN CC(C)(C)Oc1ccc(C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC001118973998 982972046 /nfs/dbraw/zinc/97/20/46/982972046.db2.gz XQIWXYGDJJKEHL-FQEVSTJZSA-N 0 1 376.453 1.865 20 0 GDADMN CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001595906859 982977355 /nfs/dbraw/zinc/97/73/55/982977355.db2.gz NFMUTJWFXZZNKY-JKSUJKDBSA-N 0 1 375.469 1.555 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001119399852 982980273 /nfs/dbraw/zinc/98/02/73/982980273.db2.gz ZNVXCVXRFUSGHC-JKSUJKDBSA-N 0 1 375.469 1.479 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCCCC(=O)[O-] ZINC001119399852 982980278 /nfs/dbraw/zinc/98/02/78/982980278.db2.gz ZNVXCVXRFUSGHC-JKSUJKDBSA-N 0 1 375.469 1.479 20 0 GDADMN C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001119617539 983006171 /nfs/dbraw/zinc/00/61/71/983006171.db2.gz LKUYPJVKLWMJDP-MFKMUULPSA-N 0 1 376.272 1.941 20 0 GDADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C[C@H]1C1CC1 ZINC001119683795 983022436 /nfs/dbraw/zinc/02/24/36/983022436.db2.gz GTGVZVKWEFQMAW-RBUKOAKNSA-N 0 1 399.491 1.468 20 0 GDADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(O)(C(=O)[O-])CC2)c1 ZINC001596254056 983660218 /nfs/dbraw/zinc/66/02/18/983660218.db2.gz ZKPNCMLDBWKZJY-CQSZACIVSA-N 0 1 391.468 1.407 20 0 GDADMN CC[N@@H+](Cc1ccc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)[O-])cc1)C(C)C ZINC001596357378 983827305 /nfs/dbraw/zinc/82/73/05/983827305.db2.gz BETAGBFYKFICTL-UHFFFAOYSA-N 0 1 390.440 1.962 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2cccc(C(=O)[O-])n2)CC1=O ZINC001596421944 984059583 /nfs/dbraw/zinc/05/95/83/984059583.db2.gz RLOBUXOVHUNXMS-DZGCQCFKSA-N 0 1 375.425 1.156 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2F)CC1=O ZINC001596422715 984064448 /nfs/dbraw/zinc/06/44/48/984064448.db2.gz ZEGFLJSVUXKGQZ-HOTGVXAUSA-N 0 1 391.443 1.473 20 0 GDADMN CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)CC1 ZINC001596569856 984461548 /nfs/dbraw/zinc/46/15/48/984461548.db2.gz HVWGBDXPUJONHV-PKUWUEBNSA-N 0 1 383.485 1.553 20 0 GDADMN CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)CC1 ZINC001596644999 984656841 /nfs/dbraw/zinc/65/68/41/984656841.db2.gz ZXRDREVBOLSMSC-OWCLPIDISA-N 0 1 381.473 1.299 20 0 GDADMN C[C@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[C@H]1C(=O)[O-] ZINC001599921444 985140270 /nfs/dbraw/zinc/14/02/70/985140270.db2.gz QGBIDYNFKDFKLU-JCGIZDLHSA-N 0 1 375.469 1.505 20 0 GDADMN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(C)c1C(=O)[O-] ZINC001599946477 985537742 /nfs/dbraw/zinc/53/77/42/985537742.db2.gz UDFKJMBJHSGKHK-MNOVXSKESA-N 0 1 389.374 1.901 20 0 GDADMN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(C)c1C(=O)[O-] ZINC001599946477 985537743 /nfs/dbraw/zinc/53/77/43/985537743.db2.gz UDFKJMBJHSGKHK-MNOVXSKESA-N 0 1 389.374 1.901 20 0 GDADMN C[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1 ZINC001594485782 985558311 /nfs/dbraw/zinc/55/83/11/985558311.db2.gz GCLNCLOVESXBRC-JKSUJKDBSA-N 0 1 375.469 1.131 20 0 GDADMN C[C@H]1CN(C(=O)c2c(C(F)(F)F)nc3ccccn32)CC[N@H+]1CCC(=O)[O-] ZINC001594486964 985570536 /nfs/dbraw/zinc/57/05/36/985570536.db2.gz ZEOXKEJCJNRHEV-NSHDSACASA-N 0 1 384.358 1.974 20 0 GDADMN CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001589199780 985639154 /nfs/dbraw/zinc/63/91/54/985639154.db2.gz CWGPCVDDFXVPRQ-GWCFXTLKSA-N 0 1 379.438 1.890 20 0 GDADMN CC(=O)Nc1cccc2c1C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])CC2 ZINC001589216279 985715686 /nfs/dbraw/zinc/71/56/86/985715686.db2.gz WDSDHQJAISOOKB-ZDLGFXPLSA-N 0 1 389.477 1.895 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCc1ccnn1-c1ccccc1 ZINC001594519284 985950044 /nfs/dbraw/zinc/95/00/44/985950044.db2.gz QJFIYVAILOCENQ-MRXNPFEDSA-N 0 1 385.468 1.605 20 0 GDADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C ZINC001594519864 985965722 /nfs/dbraw/zinc/96/57/22/985965722.db2.gz HRCQFFOOEQPUGB-RZLSGREXSA-N 0 1 381.473 1.249 20 0 GDADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC001594520580 985982049 /nfs/dbraw/zinc/98/20/49/985982049.db2.gz WNDWKKFRBUIXGZ-ZDUSSCGKSA-N 0 1 376.457 1.687 20 0 GDADMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1nnn(C2CC2)c1C(F)(F)F ZINC001594522485 986004370 /nfs/dbraw/zinc/00/43/70/986004370.db2.gz QTOCXCFNSZVDKO-VIFPVBQESA-N 0 1 375.351 1.253 20 0 GDADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1nnn(C2CC2)c1C(F)(F)F ZINC001594522485 986004380 /nfs/dbraw/zinc/00/43/80/986004380.db2.gz QTOCXCFNSZVDKO-VIFPVBQESA-N 0 1 375.351 1.253 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC001594524791 986027242 /nfs/dbraw/zinc/02/72/42/986027242.db2.gz DSQHDFTTWKLCEW-GFCCVEGCSA-N 0 1 398.389 1.662 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1Cc1noc(CNC(=O)OC(C)(C)C)n1 ZINC001594526300 986047588 /nfs/dbraw/zinc/04/75/88/986047588.db2.gz UHJCAENWQGGZMD-GFCCVEGCSA-N 0 1 383.449 1.075 20 0 GDADMN CCOCCOCC[N@H+]1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)[O-])C1 ZINC001596938087 986060243 /nfs/dbraw/zinc/06/02/43/986060243.db2.gz RAYKYVJKCJHKRU-ZRGWGRIASA-N 0 1 386.489 1.729 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001594542534 986186907 /nfs/dbraw/zinc/18/69/07/986186907.db2.gz QDJKUAUZVAKCRV-MNEFBYGVSA-N 0 1 389.496 1.622 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3cc(C(=O)[O-])no3)C2)O1 ZINC001594544498 986199822 /nfs/dbraw/zinc/19/98/22/986199822.db2.gz IIHKSEKXJXDFCO-JLTOFOAXSA-N 0 1 385.420 1.878 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)c3cc(C(=O)[O-])no3)C2)O1 ZINC001594544498 986199830 /nfs/dbraw/zinc/19/98/30/986199830.db2.gz IIHKSEKXJXDFCO-JLTOFOAXSA-N 0 1 385.420 1.878 20 0 GDADMN CCO[C@@H]1C[N@@H+](C[C@H]2CC(C(=O)[O-])=C(C)O2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001596975073 986212780 /nfs/dbraw/zinc/21/27/80/986212780.db2.gz UDIMKRPTTISUHH-IIAWOOMASA-N 0 1 384.473 1.996 20 0 GDADMN CCOc1c(Br)cc(C(=O)NCC[N@@H+](C)CC(=O)[O-])cc1OC ZINC001596986758 986254956 /nfs/dbraw/zinc/25/49/56/986254956.db2.gz JITJXGDIAZUDBP-UHFFFAOYSA-N 0 1 389.246 1.603 20 0 GDADMN 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YAQRZLIMSKIPFI-JKSUJKDBSA-N 0 1 382.482 1.684 20 0 GDADMN CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)CC1 ZINC000826926190 603326265 /nfs/dbraw/zinc/32/62/65/603326265.db2.gz UUHJUUWJTULPNL-UHFFFAOYSA-N 0 1 376.457 1.805 20 0 GDADMN C[C@@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])CN1CC[NH+](C)CC1 ZINC000824946392 603327469 /nfs/dbraw/zinc/32/74/69/603327469.db2.gz QINBALWUTFLMKH-HNNXBMFYSA-N 0 1 377.489 1.801 20 0 GDADMN COC(=O)c1cc2cc(C[N@@H+](C)CCN3CCN(C(=O)[O-])CC3)ccc2o1 ZINC000739780692 603348358 /nfs/dbraw/zinc/34/83/58/603348358.db2.gz RYQVXRGLQLOFIK-UHFFFAOYSA-N 0 1 375.425 1.947 20 0 GDADMN CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CC1 ZINC000739738124 603365495 /nfs/dbraw/zinc/36/54/95/603365495.db2.gz CUIVHYDIJRUHLO-UHFFFAOYSA-N 0 1 377.445 1.128 20 0 GDADMN CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739278613 603371808 /nfs/dbraw/zinc/37/18/08/603371808.db2.gz KNABVSFXXAOUHR-DLBZAZTESA-N 0 1 392.504 1.379 20 0 GDADMN 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WPTLMRIMORMLLU-GFCCVEGCSA-N 0 1 391.863 1.706 20 0 GDADMN C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820648701 606168146 /nfs/dbraw/zinc/16/81/46/606168146.db2.gz FVDJDPKKFIIVOZ-TXEJJXNPSA-N 0 1 375.481 1.478 20 0 GDADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000820648701 606168147 /nfs/dbraw/zinc/16/81/47/606168147.db2.gz FVDJDPKKFIIVOZ-TXEJJXNPSA-N 0 1 375.481 1.478 20 0 GDADMN C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820648701 606168149 /nfs/dbraw/zinc/16/81/49/606168149.db2.gz FVDJDPKKFIIVOZ-TXEJJXNPSA-N 0 1 375.481 1.478 20 0 GDADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000820648701 606168152 /nfs/dbraw/zinc/16/81/52/606168152.db2.gz FVDJDPKKFIIVOZ-TXEJJXNPSA-N 0 1 375.481 1.478 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000821584673 606173015 /nfs/dbraw/zinc/17/30/15/606173015.db2.gz NMVVCFXXAPGCHE-UHFFFAOYSA-N 0 1 399.459 1.252 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000821584673 606173016 /nfs/dbraw/zinc/17/30/16/606173016.db2.gz NMVVCFXXAPGCHE-UHFFFAOYSA-N 0 1 399.459 1.252 20 0 GDADMN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000820219395 606176776 /nfs/dbraw/zinc/17/67/76/606176776.db2.gz GCDYGCAZIHJWTL-CQSZACIVSA-N 0 1 378.436 1.856 20 0 GDADMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc(-c4nn[nH]n4)c(Cl)c3)CCO2)n[nH]1 ZINC000822414740 606194875 /nfs/dbraw/zinc/19/48/75/606194875.db2.gz RWMMJOHNVAMFTF-LBPRGKRZSA-N 0 1 389.807 1.552 20 0 GDADMN COC(=O)[C@@H](C)[C@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000821638656 606195223 /nfs/dbraw/zinc/19/52/23/606195223.db2.gz FEKKEIOKDKOGFL-UGSOOPFHSA-N 0 1 394.435 1.945 20 0 GDADMN Cc1nc([C@H]2CN(C(=O)N[C@H](C)c3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000822414896 606198462 /nfs/dbraw/zinc/19/84/62/606198462.db2.gz ZLABXQZOSNHJGY-QMTHXVAHSA-N 0 1 383.416 1.137 20 0 GDADMN O=C(Cc1ccc(-c2nn[nH]n2)cc1)NC1CCN(Cc2cccnc2)CC1 ZINC000823077996 606276136 /nfs/dbraw/zinc/27/61/36/606276136.db2.gz CZICEPVDVKVJRR-UHFFFAOYSA-N 0 1 377.452 1.585 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1-c1nn[n-]n1 ZINC000821969670 606283465 /nfs/dbraw/zinc/28/34/65/606283465.db2.gz CXDANMYROORBGY-SECBINFHSA-N 0 1 379.490 1.395 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCCNCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820703593 606309503 /nfs/dbraw/zinc/30/95/03/606309503.db2.gz IDGXALQAKAPQMK-YOEHRIQHSA-N 0 1 393.513 1.825 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000822010231 606312780 /nfs/dbraw/zinc/31/27/80/606312780.db2.gz UAUBKWPNKDUKBY-UHFFFAOYSA-N 0 1 382.428 1.616 20 0 GDADMN OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC000823715943 606422978 /nfs/dbraw/zinc/42/29/78/606422978.db2.gz ZPKZSAQDXXCRPM-WBVHZDCISA-N 0 1 384.509 1.901 20 0 GDADMN OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC000823715943 606422980 /nfs/dbraw/zinc/42/29/80/606422980.db2.gz ZPKZSAQDXXCRPM-WBVHZDCISA-N 0 1 384.509 1.901 20 0 GDADMN CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC000820768316 606423620 /nfs/dbraw/zinc/42/36/20/606423620.db2.gz MMGQURFBSQHHNO-YPMHNXCESA-N 0 1 384.531 1.466 20 0 GDADMN CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC000820768316 606423622 /nfs/dbraw/zinc/42/36/22/606423622.db2.gz MMGQURFBSQHHNO-YPMHNXCESA-N 0 1 384.531 1.466 20 0 GDADMN Cn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000822604894 606466987 /nfs/dbraw/zinc/46/69/87/606466987.db2.gz OVVZRXXASUVSTF-MRVPVSSYSA-N 0 1 377.865 1.662 20 0 GDADMN Cn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000822604894 606466988 /nfs/dbraw/zinc/46/69/88/606466988.db2.gz OVVZRXXASUVSTF-MRVPVSSYSA-N 0 1 377.865 1.662 20 0 GDADMN O[C@]1(CNc2ccc(Cl)c(-c3nn[nH]n3)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000823698405 606469157 /nfs/dbraw/zinc/46/91/57/606469157.db2.gz PXQICSMBEDVLCJ-SFHVURJKSA-N 0 1 385.859 1.964 20 0 GDADMN O[C@]1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000823698405 606469158 /nfs/dbraw/zinc/46/91/58/606469158.db2.gz PXQICSMBEDVLCJ-SFHVURJKSA-N 0 1 385.859 1.964 20 0 GDADMN O[C@]1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000823698405 606469159 /nfs/dbraw/zinc/46/91/59/606469159.db2.gz PXQICSMBEDVLCJ-SFHVURJKSA-N 0 1 385.859 1.964 20 0 GDADMN O[C@]1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000823698405 606469160 /nfs/dbraw/zinc/46/91/60/606469160.db2.gz PXQICSMBEDVLCJ-SFHVURJKSA-N 0 1 385.859 1.964 20 0 GDADMN O[C@]1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000823698405 606469161 /nfs/dbraw/zinc/46/91/61/606469161.db2.gz PXQICSMBEDVLCJ-SFHVURJKSA-N 0 1 385.859 1.964 20 0 GDADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000822732601 606502737 /nfs/dbraw/zinc/50/27/37/606502737.db2.gz LSQMVCVVZKKYEQ-CQSZACIVSA-N 0 1 380.399 1.375 20 0 GDADMN C[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1N1CCOCC1 ZINC000820759969 606523493 /nfs/dbraw/zinc/52/34/93/606523493.db2.gz ORXJXMWVKGMXHG-WFASDCNBSA-N 0 1 394.426 1.621 20 0 GDADMN Cc1cc(C)c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)o1 ZINC000822194357 606524762 /nfs/dbraw/zinc/52/47/62/606524762.db2.gz TUOIURRTYYRZRB-UHFFFAOYSA-N 0 1 383.412 1.904 20 0 GDADMN O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C(F)(F)C(F)F ZINC000823140709 606525000 /nfs/dbraw/zinc/52/50/00/606525000.db2.gz YDBLQEFBZOFJOL-UHFFFAOYSA-N 0 1 389.313 1.281 20 0 GDADMN Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000822231783 606703035 /nfs/dbraw/zinc/70/30/35/606703035.db2.gz HMBKGZHKPIHMJQ-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000822231783 606703036 /nfs/dbraw/zinc/70/30/36/606703036.db2.gz HMBKGZHKPIHMJQ-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(C2(C)OCCO2)CC1 ZINC000819867610 606719541 /nfs/dbraw/zinc/71/95/41/606719541.db2.gz UUNWNTAOKHRXIB-ZDUSSCGKSA-N 0 1 386.456 1.669 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1N(C)C ZINC000820803713 606785357 /nfs/dbraw/zinc/78/53/57/606785357.db2.gz GFZQKNDZCNPPKW-CQSZACIVSA-N 0 1 379.472 1.433 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1N(C)C ZINC000820803713 606785359 /nfs/dbraw/zinc/78/53/59/606785359.db2.gz GFZQKNDZCNPPKW-CQSZACIVSA-N 0 1 379.472 1.433 20 0 GDADMN CC[C@@H]1CC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)O1 ZINC000820971977 606785568 /nfs/dbraw/zinc/78/55/68/606785568.db2.gz IZJIAHUDRPTSLY-CHWSQXEVSA-N 0 1 387.444 1.338 20 0 GDADMN COc1cc(C)c([C@@H](C)NC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)cc1OC ZINC000821708550 606824918 /nfs/dbraw/zinc/82/49/18/606824918.db2.gz SJZBSRXJHTWBDT-GFCCVEGCSA-N 0 1 398.423 1.231 20 0 GDADMN CCOc1ccccc1[C@@H](CC)NC(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000821431398 606825256 /nfs/dbraw/zinc/82/52/56/606825256.db2.gz SQOUAIGVNQJSMV-OAHLLOKOSA-N 0 1 382.424 1.695 20 0 GDADMN O=C(NCCc1nc[nH]n1)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000823229211 606835260 /nfs/dbraw/zinc/83/52/60/606835260.db2.gz GXEMVUCNMONWSZ-UHFFFAOYSA-N 0 1 392.383 1.536 20 0 GDADMN O=S(=O)(NC[C@@H]1Cc2ccccc2O1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573016 606887266 /nfs/dbraw/zinc/88/72/66/606887266.db2.gz QCJJMIXKKUQQMF-NSHDSACASA-N 0 1 393.375 1.427 20 0 GDADMN O=S(=O)(NCCCOC1CCCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573501 606888944 /nfs/dbraw/zinc/88/89/44/606888944.db2.gz VLSMWCZTOLRSDS-UHFFFAOYSA-N 0 1 387.412 1.773 20 0 GDADMN COc1ccc(CN(CCO)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000821794837 606898124 /nfs/dbraw/zinc/89/81/24/606898124.db2.gz NRRPMLMRHFAIOU-GOSISDBHSA-N 0 1 399.451 1.412 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820659643 606907553 /nfs/dbraw/zinc/90/75/53/606907553.db2.gz ZGEKEGOPGZKQQC-GXTWGEPZSA-N 0 1 381.444 1.385 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820659643 606907555 /nfs/dbraw/zinc/90/75/55/606907555.db2.gz ZGEKEGOPGZKQQC-GXTWGEPZSA-N 0 1 381.444 1.385 20 0 GDADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)Oc3ccc(-c4nn[nH]n4)cc3)n2)o1 ZINC000822213815 606967809 /nfs/dbraw/zinc/96/78/09/606967809.db2.gz BMSOCWRCNCHFJB-SNVBAGLBSA-N 0 1 380.368 1.959 20 0 GDADMN Cn1nnc2cc(CN3CCN(c4cccc(F)c4-c4nn[nH]n4)CC3)ccc21 ZINC000822714741 607098847 /nfs/dbraw/zinc/09/88/47/607098847.db2.gz RYSLJSIZNYXYJC-UHFFFAOYSA-N 0 1 393.430 1.610 20 0 GDADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000822223752 607172242 /nfs/dbraw/zinc/17/22/42/607172242.db2.gz JARMGZJFBJIQMF-UHFFFAOYSA-N 0 1 378.439 1.445 20 0 GDADMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc2c(c1)nnn2C ZINC000821690224 607174707 /nfs/dbraw/zinc/17/47/07/607174707.db2.gz AODKFGXJYMDAHZ-UHFFFAOYSA-N 0 1 378.440 1.797 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1c(Cl)ccc(F)c1Cl ZINC000820333435 607208740 /nfs/dbraw/zinc/20/87/40/607208740.db2.gz BPCVDJDHNAOMGH-ZCFIWIBFSA-N 0 1 385.190 1.782 20 0 GDADMN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822167738 607211243 /nfs/dbraw/zinc/21/12/43/607211243.db2.gz HEQWDZXOPQXSCE-UHFFFAOYSA-N 0 1 395.427 1.078 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCc1cccc(C(F)(F)F)c1 ZINC000823132062 607211625 /nfs/dbraw/zinc/21/16/25/607211625.db2.gz XQRXISBRJWOULH-UHFFFAOYSA-N 0 1 380.334 1.226 20 0 GDADMN CC(C)Cc1ccc([C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC000820108519 607212280 /nfs/dbraw/zinc/21/22/80/607212280.db2.gz LRSJLHXVCFSVRO-QGZVFWFLSA-N 0 1 380.456 1.924 20 0 GDADMN CC(C)Cc1ccc([C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC000820108518 607212355 /nfs/dbraw/zinc/21/23/55/607212355.db2.gz LRSJLHXVCFSVRO-KRWDZBQOSA-N 0 1 380.456 1.924 20 0 GDADMN COc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000821882781 607215250 /nfs/dbraw/zinc/21/52/50/607215250.db2.gz KOKJUAISPAGODD-KRWDZBQOSA-N 0 1 390.407 1.373 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1nc(C2CCCCC2)cs1 ZINC000823131894 607216225 /nfs/dbraw/zinc/21/62/25/607216225.db2.gz PMFKTXGLHBCYNJ-UHFFFAOYSA-N 0 1 387.473 1.321 20 0 GDADMN CCCNc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821128263 607222832 /nfs/dbraw/zinc/22/28/32/607222832.db2.gz SHPSADNRRYBBGN-UHFFFAOYSA-N 0 1 395.349 1.938 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1c(-c2cccs2)nc2ccccn21 ZINC000823131030 607238728 /nfs/dbraw/zinc/23/87/28/607238728.db2.gz AYZIHAYRGXARIN-UHFFFAOYSA-N 0 1 392.408 1.473 20 0 GDADMN Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)nc1 ZINC000826281594 607805020 /nfs/dbraw/zinc/80/50/20/607805020.db2.gz BAJSXOGPPMDBFP-UHFFFAOYSA-N 0 1 380.412 1.398 20 0 GDADMN O=S(=O)(CCN1CCC[C@H]1CN1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484594 607828337 /nfs/dbraw/zinc/82/83/37/607828337.db2.gz IVKZSVNSMIPRRF-INIZCTEOSA-N 0 1 390.513 1.201 20 0 GDADMN CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000823972477 607857651 /nfs/dbraw/zinc/85/76/51/607857651.db2.gz BZYNTNSBNRGQAC-GFCCVEGCSA-N 0 1 391.863 1.259 20 0 GDADMN O=S(=O)(CCN1CC[C@H](C2CCOCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484497 607859408 /nfs/dbraw/zinc/85/94/08/607859408.db2.gz FSOTZJUMUVGOFU-INIZCTEOSA-N 0 1 391.497 1.389 20 0 GDADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000826503923 607943442 /nfs/dbraw/zinc/94/34/42/607943442.db2.gz JQNBRKQJZBJTKI-JENIJYKNSA-N 0 1 399.426 1.553 20 0 GDADMN CC(C)Cc1nc(-c2nn[nH]n2)c(NNC(=S)NC[C@@H]2CCCCO2)o1 ZINC000824279988 607967316 /nfs/dbraw/zinc/96/73/16/607967316.db2.gz AIACTQDDJJRNNR-JTQLQIEISA-N 0 1 380.478 1.413 20 0 GDADMN O[C@H](CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826506320 607992514 /nfs/dbraw/zinc/99/25/14/607992514.db2.gz RPNPRLHTTYOQJE-FHLIZLRMSA-N 0 1 387.390 1.986 20 0 GDADMN O[C@@H](CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826506322 607992525 /nfs/dbraw/zinc/99/25/25/607992525.db2.gz RPNPRLHTTYOQJE-OLMNPRSZSA-N 0 1 387.390 1.986 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000826077572 608019750 /nfs/dbraw/zinc/01/97/50/608019750.db2.gz MXFCLVCEMJMTMR-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826077572 608019751 /nfs/dbraw/zinc/01/97/51/608019751.db2.gz MXFCLVCEMJMTMR-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000826077873 608020624 /nfs/dbraw/zinc/02/06/24/608020624.db2.gz YFIYVINLCYMCFO-UHFFFAOYSA-N 0 1 398.471 1.848 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000826077873 608020625 /nfs/dbraw/zinc/02/06/25/608020625.db2.gz YFIYVINLCYMCFO-UHFFFAOYSA-N 0 1 398.471 1.848 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OC2CCC2)c1-c1nnn[n-]1 ZINC000826082817 608020662 /nfs/dbraw/zinc/02/06/62/608020662.db2.gz BINWCEMVCTVACH-UHFFFAOYSA-N 0 1 396.455 1.925 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OC2CCC2)c1-c1nn[n-]n1 ZINC000826082817 608020663 /nfs/dbraw/zinc/02/06/63/608020663.db2.gz BINWCEMVCTVACH-UHFFFAOYSA-N 0 1 396.455 1.925 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(C)CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826073623 608021192 /nfs/dbraw/zinc/02/11/92/608021192.db2.gz ZOQAYWLGSJVUQB-HXUWFJFHSA-N 0 1 394.483 1.876 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(C)CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826073623 608021193 /nfs/dbraw/zinc/02/11/93/608021193.db2.gz ZOQAYWLGSJVUQB-HXUWFJFHSA-N 0 1 394.483 1.876 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000826077834 608021623 /nfs/dbraw/zinc/02/16/23/608021623.db2.gz XGFRRYZZMCTBGY-LBPRGKRZSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000826077834 608021624 /nfs/dbraw/zinc/02/16/24/608021624.db2.gz XGFRRYZZMCTBGY-LBPRGKRZSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2=NO[C@H](c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826077144 608021789 /nfs/dbraw/zinc/02/17/89/608021789.db2.gz BFJVEZIRUBLCOJ-AWEZNQCLSA-N 0 1 395.427 1.198 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2=NO[C@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826077144 608021790 /nfs/dbraw/zinc/02/17/90/608021790.db2.gz BFJVEZIRUBLCOJ-AWEZNQCLSA-N 0 1 395.427 1.198 20 0 GDADMN CCOc1c(F)cccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825605513 608022814 /nfs/dbraw/zinc/02/28/14/608022814.db2.gz VUXLBDYQRLAATN-UHFFFAOYSA-N 0 1 388.407 1.532 20 0 GDADMN CCOc1c(F)cccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825605513 608022815 /nfs/dbraw/zinc/02/28/15/608022815.db2.gz VUXLBDYQRLAATN-UHFFFAOYSA-N 0 1 388.407 1.532 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C3CCCCC3)[nH]n2)c1-c1nn[n-]n1 ZINC000826077451 608023172 /nfs/dbraw/zinc/02/31/72/608023172.db2.gz IOYBWASXTAYTKJ-UHFFFAOYSA-N 0 1 398.475 1.765 20 0 GDADMN C[C@@H](c1cn(-c2ccccc2)nn1)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000824778474 608037170 /nfs/dbraw/zinc/03/71/70/608037170.db2.gz PRSIOVLRZQAMCN-LBPRGKRZSA-N 0 1 393.459 1.378 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000826279733 608097479 /nfs/dbraw/zinc/09/74/79/608097479.db2.gz ZVAZQNOYRGWTBL-JTQLQIEISA-N 0 1 376.446 1.456 20 0 GDADMN CCC[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)[NH+](C)C ZINC000825224822 608117103 /nfs/dbraw/zinc/11/71/03/608117103.db2.gz CQEJQMDTDHITLL-CYBMUJFWSA-N 0 1 388.476 1.111 20 0 GDADMN CCN1CCN(C2CCN(Cc3ccc(-c4nn[nH]n4)cc3OC)CC2)C1=O ZINC000825459160 608358976 /nfs/dbraw/zinc/35/89/76/608358976.db2.gz JAJDHUVUMOSBDC-UHFFFAOYSA-N 0 1 385.472 1.597 20 0 GDADMN C[C@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2 ZINC000824562249 608429966 /nfs/dbraw/zinc/42/99/66/608429966.db2.gz DGNHPZBEKMXEJA-LBPRGKRZSA-N 0 1 380.408 1.562 20 0 GDADMN COc1ccc([C@H](CCO)NCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826189138 608431706 /nfs/dbraw/zinc/43/17/06/608431706.db2.gz OGEQUUXTFDEEEJ-KRWDZBQOSA-N 0 1 382.424 1.527 20 0 GDADMN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000823967192 608459108 /nfs/dbraw/zinc/45/91/08/608459108.db2.gz JYCKPGGPMMGPCE-IFXJQAMLSA-N 0 1 392.463 1.834 20 0 GDADMN C[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nn[nH]n2)c1 ZINC000824578145 608487610 /nfs/dbraw/zinc/48/76/10/608487610.db2.gz RIAMAHDTWYREAT-NSHDSACASA-N 0 1 383.437 1.539 20 0 GDADMN C[C@H](NC(=O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCCC1 ZINC000824478177 608490385 /nfs/dbraw/zinc/49/03/85/608490385.db2.gz FQTCFJDLODXYKM-KBPBESRZSA-N 0 1 385.472 1.035 20 0 GDADMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824761587 608503693 /nfs/dbraw/zinc/50/36/93/608503693.db2.gz BSOMZPKPWXGWFT-SNVBAGLBSA-N 0 1 378.483 1.769 20 0 GDADMN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824761587 608503694 /nfs/dbraw/zinc/50/36/94/608503694.db2.gz BSOMZPKPWXGWFT-SNVBAGLBSA-N 0 1 378.483 1.769 20 0 GDADMN Cc1nc(CN2CCN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000826325858 608541445 /nfs/dbraw/zinc/54/14/45/608541445.db2.gz OJFLRGIXDBSZQX-UHFFFAOYSA-N 0 1 394.365 1.029 20 0 GDADMN CN1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000826034460 608565561 /nfs/dbraw/zinc/56/55/61/608565561.db2.gz RIBUSIMSGPGLKK-JTQLQIEISA-N 0 1 390.391 1.258 20 0 GDADMN C[C@H](CS(=O)(=O)c1ccccc1)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824449234 608579296 /nfs/dbraw/zinc/57/92/96/608579296.db2.gz MSMUYHIBZKJBMU-CQSZACIVSA-N 0 1 387.465 1.698 20 0 GDADMN C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@H]1O ZINC000824984388 608586842 /nfs/dbraw/zinc/58/68/42/608586842.db2.gz JICCMRTYVBUESH-ZYHUDNBSSA-N 0 1 376.486 1.448 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@H]1O ZINC000824984388 608586844 /nfs/dbraw/zinc/58/68/44/608586844.db2.gz JICCMRTYVBUESH-ZYHUDNBSSA-N 0 1 376.486 1.448 20 0 GDADMN CCN1CCN(C2CCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)C1=O ZINC000825458792 608686640 /nfs/dbraw/zinc/68/66/40/608686640.db2.gz GEXGGZYVSPWQHL-UHFFFAOYSA-N 0 1 395.471 1.236 20 0 GDADMN O=S(=O)(Nc1cnc2c(c1)COCC2)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826492872 609163982 /nfs/dbraw/zinc/16/39/82/609163982.db2.gz JCSJPICKUZUQIB-UHFFFAOYSA-N 0 1 392.828 1.789 20 0 GDADMN CCc1nc([C@H](C)NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)n[nH]1 ZINC000825740643 609164919 /nfs/dbraw/zinc/16/49/19/609164919.db2.gz XCIJODNVKWVZIY-NSHDSACASA-N 0 1 392.427 1.532 20 0 GDADMN CCn1cc([C@@H](C)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000825799865 609168002 /nfs/dbraw/zinc/16/80/02/609168002.db2.gz UUXPRPUYNIOYGQ-CXAGYDPISA-N 0 1 380.456 1.929 20 0 GDADMN COCC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1ccco1 ZINC000826153799 609177198 /nfs/dbraw/zinc/17/71/98/609177198.db2.gz AFVBCNCJFORGKU-NSHDSACASA-N 0 1 390.425 1.790 20 0 GDADMN CN(C)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000825848248 609207215 /nfs/dbraw/zinc/20/72/15/609207215.db2.gz AUZVHVNMDGTPFT-IAGOWNOFSA-N 0 1 384.415 1.458 20 0 GDADMN COc1cccc([C@H]2[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCN2C2CC2)c1 ZINC000826215787 609337341 /nfs/dbraw/zinc/33/73/41/609337341.db2.gz YVQBNKYPLRTXFM-AEFFLSMTSA-N 0 1 393.451 1.911 20 0 GDADMN COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826160608 609347776 /nfs/dbraw/zinc/34/77/76/609347776.db2.gz YYTHFXMEETXATK-WBMJQRKESA-N 0 1 378.452 1.834 20 0 GDADMN NC(=O)c1cccc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826393269 609413457 /nfs/dbraw/zinc/41/34/57/609413457.db2.gz KOVDKDFGOBTUAR-QGZVFWFLSA-N 0 1 391.435 1.251 20 0 GDADMN O=C1[C@H](N[C@@H](CO)c2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476330 609423978 /nfs/dbraw/zinc/42/39/78/609423978.db2.gz FUYJYTPMVDBQPO-MSOLQXFVSA-N 0 1 378.436 1.685 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cncc(F)c2)cc1-c1nn[nH]n1 ZINC000826229936 609427362 /nfs/dbraw/zinc/42/73/62/609427362.db2.gz XFUOOZGURBDVFX-SSDOTTSWSA-N 0 1 375.389 1.714 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000826077866 609435160 /nfs/dbraw/zinc/43/51/60/609435160.db2.gz YDCCCKWJGKHYAF-GXTWGEPZSA-N 0 1 390.492 1.522 20 0 GDADMN 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ZINC000822548525 946120865 /nfs/dbraw/zinc/12/08/65/946120865.db2.gz LORQXYFIIROOGY-UHFFFAOYSA-N 0 1 382.428 1.232 20 0 GDADMN O=C(NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCc2cccnc21 ZINC001571298218 946208280 /nfs/dbraw/zinc/20/82/80/946208280.db2.gz KCSFAYRZDIDURI-ZALBZXLWSA-N 0 1 390.451 1.115 20 0 GDADMN O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1=COCCO1 ZINC001571298434 946215301 /nfs/dbraw/zinc/21/53/01/946215301.db2.gz NUCMGAXZMNJUQK-NWDGAFQWSA-N 0 1 390.469 1.333 20 0 GDADMN O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1=COCCO1 ZINC001571298434 946215308 /nfs/dbraw/zinc/21/53/08/946215308.db2.gz NUCMGAXZMNJUQK-NWDGAFQWSA-N 0 1 390.469 1.333 20 0 GDADMN CC[C@@H](SC)C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571298753 946227363 /nfs/dbraw/zinc/22/73/63/946227363.db2.gz CVZQTZYVVCXGDS-QWHCGFSZSA-N 0 1 390.517 1.473 20 0 GDADMN CN1c2ccccc2CN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CC1=O ZINC001571298832 946230016 /nfs/dbraw/zinc/23/00/16/946230016.db2.gz KXGBPDYHZHKZDV-UHFFFAOYSA-N 0 1 390.450 1.096 20 0 GDADMN CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298851 946230312 /nfs/dbraw/zinc/23/03/12/946230312.db2.gz FHKLSRCYZYFUOJ-STQMWFEESA-N 0 1 390.517 1.153 20 0 GDADMN CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298851 946230322 /nfs/dbraw/zinc/23/03/22/946230322.db2.gz FHKLSRCYZYFUOJ-STQMWFEESA-N 0 1 390.517 1.153 20 0 GDADMN O=C([C@H]1CCCOCC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299035 946237898 /nfs/dbraw/zinc/23/78/98/946237898.db2.gz HTQPISIRLDRLIL-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN O=C([C@H]1CCCOCC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299035 946237909 /nfs/dbraw/zinc/23/79/09/946237909.db2.gz HTQPISIRLDRLIL-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001571299246 946242799 /nfs/dbraw/zinc/24/27/99/946242799.db2.gz JYVGIHYPERJYEC-WCQYABFASA-N 0 1 390.517 1.376 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001571299246 946242810 /nfs/dbraw/zinc/24/28/10/946242810.db2.gz JYVGIHYPERJYEC-WCQYABFASA-N 0 1 390.517 1.376 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571299267 946246573 /nfs/dbraw/zinc/24/65/73/946246573.db2.gz VJPGTSZFBQLDOS-OWCLPIDISA-N 0 1 390.451 1.545 20 0 GDADMN CCO[C@@H]1C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299759 946261192 /nfs/dbraw/zinc/26/11/92/946261192.db2.gz PQTIKFNNIQJZIA-HUUCEWRRSA-N 0 1 390.513 1.681 20 0 GDADMN CCO[C@@H]1C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299759 946261201 /nfs/dbraw/zinc/26/12/01/946261201.db2.gz PQTIKFNNIQJZIA-HUUCEWRRSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300183 946275906 /nfs/dbraw/zinc/27/59/06/946275906.db2.gz WIYDPKDAGBWOCP-IUODEOHRSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300183 946275914 /nfs/dbraw/zinc/27/59/14/946275914.db2.gz WIYDPKDAGBWOCP-IUODEOHRSA-N 0 1 390.513 1.681 20 0 GDADMN O=C(c1ccc2c(c1)COC2)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571302721 946313029 /nfs/dbraw/zinc/31/30/29/946313029.db2.gz AAAGFLWFQKQWFL-MRXNPFEDSA-N 0 1 391.435 1.431 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)[C@H]3COc4ccccc43)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302931 946317085 /nfs/dbraw/zinc/31/70/85/946317085.db2.gz DSKRYSYDRCYBHF-BBRMVZONSA-N 0 1 391.435 1.181 20 0 GDADMN Cc1cc(N2CCC3(C[C@H]3NC(=O)c3ccnnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303844 946350352 /nfs/dbraw/zinc/35/03/52/946350352.db2.gz ZDZQAWZMQOMZGR-MRXNPFEDSA-N 0 1 391.439 1.149 20 0 GDADMN O=C(c1cnccn1)N1CCC[C@H]1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571306047 946384707 /nfs/dbraw/zinc/38/47/07/946384707.db2.gz ONCSYPFMQZBQJD-QMMMGPOBSA-N 0 1 391.848 1.483 20 0 GDADMN CN(C[C@H]1CCCN1C(=O)C1(C(C)(F)F)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571307573 946425378 /nfs/dbraw/zinc/42/53/78/946425378.db2.gz FJOLTPORWNXQHD-LLVKDONJSA-N 0 1 392.414 1.519 20 0 GDADMN CCn1cccc1C(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571313042 946510939 /nfs/dbraw/zinc/51/09/39/946510939.db2.gz ILGXQZHRRSSCSF-HXUWFJFHSA-N 0 1 392.467 1.826 20 0 GDADMN CCc1ccc(C(=O)N(CC)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571313644 946527952 /nfs/dbraw/zinc/52/79/52/946527952.db2.gz SENUBXZCMDXDGN-MRXNPFEDSA-N 0 1 392.467 1.960 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)C[C@@H](C)c3ccncc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314887 946544494 /nfs/dbraw/zinc/54/44/94/946544494.db2.gz CTXPCOVATVQYRP-CJNGLKHVSA-N 0 1 392.467 1.594 20 0 GDADMN Cc1cc(C)cc(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315977 946561771 /nfs/dbraw/zinc/56/17/71/946561771.db2.gz QTHMRCUBXIMTFI-HNNXBMFYSA-N 0 1 392.467 1.920 20 0 GDADMN Cc1ccccc1CCC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316734 946587550 /nfs/dbraw/zinc/58/75/50/946587550.db2.gz KZMQEAFMWCTRES-INIZCTEOSA-N 0 1 392.467 1.635 20 0 GDADMN Cc1cnc(C(=O)N2C[C@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571317222 946604485 /nfs/dbraw/zinc/60/44/85/946604485.db2.gz YHDXQURTLXXUGM-GJZGRUSLSA-N 0 1 392.467 1.516 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn2c1CCCC2 ZINC001571317732 946618351 /nfs/dbraw/zinc/61/83/51/946618351.db2.gz SWHADEMCWCCDJY-INIZCTEOSA-N 0 1 392.467 1.404 20 0 GDADMN CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC(NCc2ncc(Cl)s2)C1 ZINC001571317944 946624157 /nfs/dbraw/zinc/62/41/57/946624157.db2.gz ZSBFAZPRBLQNRT-UHFFFAOYSA-N 0 1 392.876 1.698 20 0 GDADMN CC1(C)CC[C@@H]2C[C@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c3cccc1c32 ZINC000824801709 946936608 /nfs/dbraw/zinc/93/66/08/946936608.db2.gz GXCACAZRZJDWIH-RISCZKNCSA-N 0 1 378.440 1.874 20 0 GDADMN CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2nnc[nH]2)cc1-c1nn[nH]n1 ZINC000825539103 947216915 /nfs/dbraw/zinc/21/69/15/947216915.db2.gz MRSGBNZWVAWEPR-QMMMGPOBSA-N 0 1 386.376 1.436 20 0 GDADMN C[C@H](C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1ccco1 ZINC001573595012 947413104 /nfs/dbraw/zinc/41/31/04/947413104.db2.gz WKCHBQYFVUVBAS-BLLLJJGKSA-N 0 1 381.440 1.729 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccc(F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573595227 947417549 /nfs/dbraw/zinc/41/75/49/947417549.db2.gz WSWOMVIIDRJLAY-GXFFZTMASA-N 0 1 396.390 1.129 20 0 GDADMN C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC001573604207 947505085 /nfs/dbraw/zinc/50/50/85/947505085.db2.gz MLKBXQNCLOOFTM-LLVKDONJSA-N 0 1 386.847 1.406 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573613518 947564847 /nfs/dbraw/zinc/56/48/47/947564847.db2.gz BNZZLJHXCMPTIA-VLIAUNLRSA-N 0 1 392.467 1.533 20 0 GDADMN C=Cc1ccc(C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001573355318 947640412 /nfs/dbraw/zinc/64/04/12/947640412.db2.gz NVGIOIOJVNEPME-INIZCTEOSA-N 0 1 391.435 1.280 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573617808 947640525 /nfs/dbraw/zinc/64/05/25/947640525.db2.gz NCEBWQHCSHNRPG-XJKSGUPXSA-N 0 1 383.431 1.759 20 0 GDADMN C/C(=C\C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573363988 947716639 /nfs/dbraw/zinc/71/66/39/947716639.db2.gz OTGCVLPFPZXTKN-QXFGWPSGSA-N 0 1 382.472 1.616 20 0 GDADMN C[C@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573628812 947764865 /nfs/dbraw/zinc/76/48/65/947764865.db2.gz KITZWLBOBPYFPU-SGTLLEGYSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H](C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573628812 947764872 /nfs/dbraw/zinc/76/48/72/947764872.db2.gz KITZWLBOBPYFPU-SGTLLEGYSA-N 0 1 390.513 1.417 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573369670 947775711 /nfs/dbraw/zinc/77/57/11/947775711.db2.gz WKDPWGHIROXVRQ-GXTWGEPZSA-N 0 1 390.513 1.872 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573369670 947775715 /nfs/dbraw/zinc/77/57/15/947775715.db2.gz WKDPWGHIROXVRQ-GXTWGEPZSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573630253 947790652 /nfs/dbraw/zinc/79/06/52/947790652.db2.gz XCJNCDVGUZTGTC-VXGBXAGGSA-N 0 1 384.469 1.347 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573374635 947811548 /nfs/dbraw/zinc/81/15/48/947811548.db2.gz KOMCOMBTQJXDGG-UKRRQHHQSA-N 0 1 385.472 1.803 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001573374609 947812039 /nfs/dbraw/zinc/81/20/39/947812039.db2.gz OOBNSWMFJLQYEP-DZGCQCFKSA-N 0 1 385.472 1.543 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001573380500 947858782 /nfs/dbraw/zinc/85/87/82/947858782.db2.gz CYBSOQWATDHKGU-QGZVFWFLSA-N 0 1 384.484 1.953 20 0 GDADMN Cc1onc(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1-c1nnn[n-]1 ZINC000826307831 947884733 /nfs/dbraw/zinc/88/47/33/947884733.db2.gz XYRXJCKUPUQUCO-UHFFFAOYSA-N 0 1 395.467 1.795 20 0 GDADMN Cc1onc(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1-c1nn[n-]n1 ZINC000826307831 947884734 /nfs/dbraw/zinc/88/47/34/947884734.db2.gz XYRXJCKUPUQUCO-UHFFFAOYSA-N 0 1 395.467 1.795 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573647942 947903143 /nfs/dbraw/zinc/90/31/43/947903143.db2.gz VUKQOQSKUHDHLS-IIYDPXPESA-N 0 1 378.440 1.141 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826343648 947992791 /nfs/dbraw/zinc/99/27/91/947992791.db2.gz JALRKSWIMUSKSC-UHFFFAOYSA-N 0 1 387.419 1.435 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826343648 947992795 /nfs/dbraw/zinc/99/27/95/947992795.db2.gz JALRKSWIMUSKSC-UHFFFAOYSA-N 0 1 387.419 1.435 20 0 GDADMN Cc1onc(CC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826343635 947993642 /nfs/dbraw/zinc/99/36/42/947993642.db2.gz IQVHKIVWLIWDHA-UHFFFAOYSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826343635 947993646 /nfs/dbraw/zinc/99/36/46/947993646.db2.gz IQVHKIVWLIWDHA-UHFFFAOYSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1-c1nnn[n-]1 ZINC000826347805 948060306 /nfs/dbraw/zinc/06/03/06/948060306.db2.gz GYCSIVGWPRJNGH-UHFFFAOYSA-N 0 1 383.456 1.862 20 0 GDADMN Cc1onc(CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1-c1nnn[n-]1 ZINC000826347805 948060314 /nfs/dbraw/zinc/06/03/14/948060314.db2.gz GYCSIVGWPRJNGH-UHFFFAOYSA-N 0 1 383.456 1.862 20 0 GDADMN Cc1onc(CC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1-c1nn[n-]n1 ZINC000826347805 948060322 /nfs/dbraw/zinc/06/03/22/948060322.db2.gz GYCSIVGWPRJNGH-UHFFFAOYSA-N 0 1 383.456 1.862 20 0 GDADMN Cc1onc(CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1-c1nn[n-]n1 ZINC000826347805 948060330 /nfs/dbraw/zinc/06/03/30/948060330.db2.gz GYCSIVGWPRJNGH-UHFFFAOYSA-N 0 1 383.456 1.862 20 0 GDADMN CC(=O)N(Cc1ccccc1)[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573415449 948109386 /nfs/dbraw/zinc/10/93/86/948109386.db2.gz SWCKAHXNVBYCRB-WOJBJXKFSA-N 0 1 392.463 1.461 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573672731 948109943 /nfs/dbraw/zinc/10/99/43/948109943.db2.gz IUGCYKQFLNUTMQ-JSGCOSHPSA-N 0 1 383.481 1.817 20 0 GDADMN C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)n1cccc1 ZINC001573681103 948196042 /nfs/dbraw/zinc/19/60/42/948196042.db2.gz ULALULBOTZOTCS-OLZOCXBDSA-N 0 1 381.444 1.050 20 0 GDADMN CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573433610 948202998 /nfs/dbraw/zinc/20/29/98/948202998.db2.gz MMKAAUBZOAMQFR-NVXWUHKLSA-N 0 1 390.513 1.824 20 0 GDADMN CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573433610 948203008 /nfs/dbraw/zinc/20/30/08/948203008.db2.gz MMKAAUBZOAMQFR-NVXWUHKLSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CC1 ZINC001573695688 948309633 /nfs/dbraw/zinc/30/96/33/948309633.db2.gz IHQVJIVCVOYFMO-AHBIMHKDSA-N 0 1 384.459 1.846 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573703470 948355679 /nfs/dbraw/zinc/35/56/79/948355679.db2.gz KGNHUYAQAGAQEW-HUUCEWRRSA-N 0 1 380.456 1.657 20 0 GDADMN O=C1[C@@H](N2CCN3CCCC[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477299 948387966 /nfs/dbraw/zinc/38/79/66/948387966.db2.gz ZKAURBKWWMTIFC-ROUUACIJSA-N 0 1 381.484 1.532 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F)C1CC1 ZINC001573705477 948402828 /nfs/dbraw/zinc/40/28/28/948402828.db2.gz FQVGPUDHDCDBIP-ZYHUDNBSSA-N 0 1 392.414 1.281 20 0 GDADMN C[C@@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)c1cccnc1 ZINC001573715410 948490045 /nfs/dbraw/zinc/49/00/45/948490045.db2.gz VTTYXDPVRHTFAC-CYBMUJFWSA-N 0 1 383.431 1.753 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573736060 948611352 /nfs/dbraw/zinc/61/13/52/948611352.db2.gz FANKBCHKXYPMGZ-VXGBXAGGSA-N 0 1 384.469 1.607 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574416150 948743806 /nfs/dbraw/zinc/74/38/06/948743806.db2.gz PPRRBMRCPQRFFB-LBPRGKRZSA-N 0 1 381.444 1.430 20 0 GDADMN CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001574416324 948747203 /nfs/dbraw/zinc/74/72/03/948747203.db2.gz QOLJRXWWRRQDDJ-OAHLLOKOSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574914676 948755716 /nfs/dbraw/zinc/75/57/16/948755716.db2.gz MMOOUDPZTDFJQE-GFCCVEGCSA-N 0 1 384.419 1.370 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1C ZINC001574079735 948777934 /nfs/dbraw/zinc/77/79/34/948777934.db2.gz GNKYRFLRSQZWCO-IWSPIJDZSA-N 0 1 387.872 1.912 20 0 GDADMN CC(C)c1ccccc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574419713 948790744 /nfs/dbraw/zinc/79/07/44/948790744.db2.gz JNAPEYYWIORXSN-QLPKVWCKSA-N 0 1 390.451 1.645 20 0 GDADMN C[C@H](C(=O)Nc1ccc(F)c(Br)c1F)n1cnc(-c2nn[nH]n2)n1 ZINC001573756037 948793001 /nfs/dbraw/zinc/79/30/01/948793001.db2.gz LMMOGCYWDMRCIU-RXMQYKEDSA-N 0 1 399.159 1.699 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574420592 948803506 /nfs/dbraw/zinc/80/35/06/948803506.db2.gz ZMOKFCXOHYYZSV-BETUJISGSA-N 0 1 378.440 1.575 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575226230 948813211 /nfs/dbraw/zinc/81/32/11/948813211.db2.gz JMNUFHREZDMLCG-QGZVFWFLSA-N 0 1 392.414 1.521 20 0 GDADMN CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001575227099 948825580 /nfs/dbraw/zinc/82/55/80/948825580.db2.gz RWNRHJUCEQEROC-QGZVFWFLSA-N 0 1 377.399 1.736 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccn(C)n1 ZINC001574684081 948855190 /nfs/dbraw/zinc/85/51/90/948855190.db2.gz BFTNALIOLCHJES-ZETCQYMHSA-N 0 1 381.853 1.331 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574684025 948857424 /nfs/dbraw/zinc/85/74/24/948857424.db2.gz AFSUNHNEWIGOKC-RKDXNWHRSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574684025 948857436 /nfs/dbraw/zinc/85/74/36/948857436.db2.gz AFSUNHNEWIGOKC-RKDXNWHRSA-N 0 1 384.897 1.378 20 0 GDADMN CC(C)(C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573763123 948862918 /nfs/dbraw/zinc/86/29/18/948862918.db2.gz BKMWSUGXTVHQAV-SNVBAGLBSA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573763742 948873198 /nfs/dbraw/zinc/87/31/98/948873198.db2.gz GPBKZGBHZVQPPT-OAHLLOKOSA-N 0 1 392.467 1.459 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)F ZINC001573763789 948875158 /nfs/dbraw/zinc/87/51/58/948875158.db2.gz HUAGYVDDSSIRSW-GFCCVEGCSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574684687 948880643 /nfs/dbraw/zinc/88/06/43/948880643.db2.gz KSMCVPSQQMAEKH-RBXMUDONSA-N 0 1 383.865 1.176 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573764947 948894742 /nfs/dbraw/zinc/89/47/42/948894742.db2.gz SCTNXWMYSJKSRJ-QWRGUYRKSA-N 0 1 392.414 1.518 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCC(C)(F)F ZINC001575235488 948919754 /nfs/dbraw/zinc/91/97/54/948919754.db2.gz MQPLLUHFSODEHH-JTQLQIEISA-N 0 1 382.419 1.457 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C1CCC1 ZINC001573766054 948930017 /nfs/dbraw/zinc/93/00/17/948930017.db2.gz WNAWMUJBTOKJTC-OKILXGFUSA-N 0 1 381.484 1.983 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574432899 948940985 /nfs/dbraw/zinc/94/09/85/948940985.db2.gz OSLSCUQURXQMNM-NEPJUHHUSA-N 0 1 381.444 1.216 20 0 GDADMN CC(C)c1ncncc1C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001574432935 948941379 /nfs/dbraw/zinc/94/13/79/948941379.db2.gz PVJHZWWDOMFVTI-UHFFFAOYSA-N 0 1 381.444 1.384 20 0 GDADMN CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CC1 ZINC001573771446 948942807 /nfs/dbraw/zinc/94/28/07/948942807.db2.gz HRHOFRUADFYTPJ-CQSZACIVSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573771858 948947033 /nfs/dbraw/zinc/94/70/33/948947033.db2.gz MPVAZUOVQVLPRN-JSGCOSHPSA-N 0 1 384.488 1.602 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001575237988 948951002 /nfs/dbraw/zinc/95/10/02/948951002.db2.gz KJTOCUKTRPHGKW-GHMZBOCLSA-N 0 1 392.414 1.353 20 0 GDADMN CC(C)(C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2)C1CC1 ZINC001573772537 948961007 /nfs/dbraw/zinc/96/10/07/948961007.db2.gz ULHGOFCEJCPDHX-QWHCGFSZSA-N 0 1 382.472 1.354 20 0 GDADMN CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573772917 948970460 /nfs/dbraw/zinc/97/04/60/948970460.db2.gz YKIGKXLJVBBKQP-AWEZNQCLSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574439608 949013137 /nfs/dbraw/zinc/01/31/37/949013137.db2.gz IEXUHXZCHSBAMK-AOOOYVTPSA-N 0 1 385.457 1.031 20 0 GDADMN CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574440500 949030317 /nfs/dbraw/zinc/03/03/17/949030317.db2.gz QJIMFCPDVYWFFH-JTQLQIEISA-N 0 1 387.473 1.279 20 0 GDADMN CC(C)[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)CCO1 ZINC001574091746 949030705 /nfs/dbraw/zinc/03/07/05/949030705.db2.gz LQVVJMUAMAQNAA-WMLDXEAASA-N 0 1 387.488 1.608 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCC1 ZINC001574694566 949081219 /nfs/dbraw/zinc/08/12/19/949081219.db2.gz RPZHZNOWLBOEMY-WMLDXEAASA-N 0 1 386.504 1.641 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249434 949097854 /nfs/dbraw/zinc/09/78/54/949097854.db2.gz BUOYGFKCIQOGFZ-QWHCGFSZSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249434 949097835 /nfs/dbraw/zinc/09/78/35/949097835.db2.gz BUOYGFKCIQOGFZ-QWHCGFSZSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574930224 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0 1 383.431 1.523 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)COC2CCCC2)CC1 ZINC001575853297 949208037 /nfs/dbraw/zinc/20/80/37/949208037.db2.gz NOIPDPFLTCRCNG-UHFFFAOYSA-N 0 1 385.472 1.436 20 0 GDADMN O=C([O-])c1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC001595215338 949214583 /nfs/dbraw/zinc/21/45/83/949214583.db2.gz YUOCPCRBCOBNDO-RBUKOAKNSA-N 0 1 381.432 1.895 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001589604326 949222473 /nfs/dbraw/zinc/22/24/73/949222473.db2.gz AQBRWTKKSMVQKT-SFHVURJKSA-N 0 1 377.397 1.640 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001574451481 949231956 /nfs/dbraw/zinc/23/19/56/949231956.db2.gz QBIGGUKHCIXNLL-NHAGDIPZSA-N 0 1 380.412 1.238 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC001589605222 949241539 /nfs/dbraw/zinc/24/15/39/949241539.db2.gz NMSYFTOOMBBZKQ-GOSISDBHSA-N 0 1 397.497 1.452 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)cn1 ZINC001574452194 949251597 /nfs/dbraw/zinc/25/15/97/949251597.db2.gz FNQVPFCRCXNCGU-MRXNPFEDSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)n1cc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001574452532 949264471 /nfs/dbraw/zinc/26/44/71/949264471.db2.gz MMMPGMRUWUYTEQ-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574940923 949283694 /nfs/dbraw/zinc/28/36/94/949283694.db2.gz MNJIFDIZOFNVST-CYBMUJFWSA-N 0 1 392.467 1.363 20 0 GDADMN C[C@H](CNC(=O)Cc1cccnc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574940986 949284821 /nfs/dbraw/zinc/28/48/21/949284821.db2.gz NPXLMQUAVCEJBF-SECBINFHSA-N 0 1 392.876 1.555 20 0 GDADMN CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573793346 949290379 /nfs/dbraw/zinc/29/03/79/949290379.db2.gz PNVVOCYEFRYZPM-CQSZACIVSA-N 0 1 388.447 1.702 20 0 GDADMN CC1(C(=O)N(CCO)CCNc2nc(-c3nn[nH]n3)c(Cl)s2)CCC1 ZINC001575523543 949295145 /nfs/dbraw/zinc/29/51/45/949295145.db2.gz CCFGZHAZVOAFBY-UHFFFAOYSA-N 0 1 385.881 1.400 20 0 GDADMN C[C@H](c1ncccn1)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575524148 949312163 /nfs/dbraw/zinc/31/21/63/949312163.db2.gz SJAAFUJNZOTVKB-CHWSQXEVSA-N 0 1 381.444 1.188 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574457169 949314085 /nfs/dbraw/zinc/31/40/85/949314085.db2.gz AUABUBBAGFMVBG-JOCQHMNTSA-N 0 1 381.444 1.082 20 0 GDADMN CC1=C(C)C[C@](C)(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575860989 949318632 /nfs/dbraw/zinc/31/86/32/949318632.db2.gz PCXSENSHCCSMFA-IFXJQAMLSA-N 0 1 382.472 1.878 20 0 GDADMN CC(C)n1ccc(CC(=O)NC[C@@H](C)N(C)c2ccncc2-c2nn[nH]n2)n1 ZINC001574941853 949324550 /nfs/dbraw/zinc/32/45/50/949324550.db2.gz HODIYWWUDLNWGA-CYBMUJFWSA-N 0 1 383.460 1.223 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(c2ccccc2)CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574703721 949349198 /nfs/dbraw/zinc/34/91/98/949349198.db2.gz XFWBLDXJSZKISP-AWEZNQCLSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@H](NC(=O)[C@H]1CCC1(F)F)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260820 949365216 /nfs/dbraw/zinc/36/52/16/949365216.db2.gz XSCXBRCULLBWAY-XHDPSFHLSA-N 0 1 376.411 1.849 20 0 GDADMN CC(C)n1ccc(CN[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574460632 949378953 /nfs/dbraw/zinc/37/89/53/949378953.db2.gz UTXZPFFQGWSROC-MQMHXKEQSA-N 0 1 383.460 1.270 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)c1 ZINC001574463931 949391699 /nfs/dbraw/zinc/39/16/99/949391699.db2.gz BVTXLIYPZLKKBI-HNNXBMFYSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001574465037 949423411 /nfs/dbraw/zinc/42/34/11/949423411.db2.gz UEJNYTORKKNGIR-CYBMUJFWSA-N 0 1 381.444 1.178 20 0 GDADMN CC(C)n1nccc1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001574469764 949481279 /nfs/dbraw/zinc/48/12/79/949481279.db2.gz GPQLYJFUBLBVSZ-UHFFFAOYSA-N 0 1 381.444 1.226 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574469480 949481632 /nfs/dbraw/zinc/48/16/32/949481632.db2.gz FIGUOBGCAQJTHF-HAQNSBGRSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574469480 949481643 /nfs/dbraw/zinc/48/16/43/949481643.db2.gz FIGUOBGCAQJTHF-HAQNSBGRSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574469841 949484463 /nfs/dbraw/zinc/48/44/63/949484463.db2.gz IDTXYCIPDFKZLT-JOCQHMNTSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575870613 949489533 /nfs/dbraw/zinc/48/95/33/949489533.db2.gz VVBYHINPJHVOHA-QWRGUYRKSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H](CNC(=O)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1)N1CCN(C)CC1 ZINC001574949986 949526139 /nfs/dbraw/zinc/52/61/39/949526139.db2.gz IYWOZGVVCUQZRO-CYBMUJFWSA-N 0 1 384.488 1.502 20 0 GDADMN C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574475872 949579420 /nfs/dbraw/zinc/57/94/20/949579420.db2.gz CSYJDZBNWDUKNN-GOEBONIOSA-N 0 1 392.467 1.888 20 0 GDADMN C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)s1)n1cccn1 ZINC001574476033 949583329 /nfs/dbraw/zinc/58/33/29/949583329.db2.gz FDMLHMBZUFFJFB-CYBMUJFWSA-N 0 1 388.501 1.666 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574956517 949583896 /nfs/dbraw/zinc/58/38/96/949583896.db2.gz JTAKATNQLUJAAY-AXTSPUMRSA-N 0 1 381.893 1.964 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575545548 949600136 /nfs/dbraw/zinc/60/01/36/949600136.db2.gz LLUMGPLCHUFFKY-CYBMUJFWSA-N 0 1 390.513 1.826 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575545548 949600154 /nfs/dbraw/zinc/60/01/54/949600154.db2.gz LLUMGPLCHUFFKY-CYBMUJFWSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574957510 949620747 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CRKAKCBQYVDWDV-DOMZBBRYSA-N 0 1 381.444 1.267 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(CF)CCC1 ZINC001573816945 949691176 /nfs/dbraw/zinc/69/11/76/949691176.db2.gz VWAOUFIOLFNHMS-LLVKDONJSA-N 0 1 376.440 1.161 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574958788 949696010 /nfs/dbraw/zinc/69/60/10/949696010.db2.gz WQJILUVBLMAQBG-RBXMUDONSA-N 0 1 383.865 1.033 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574716709 949701172 /nfs/dbraw/zinc/70/11/72/949701172.db2.gz LEEYYZWNAYXTLF-RKDXNWHRSA-N 0 1 385.881 1.662 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOCC1 ZINC001573817809 949708884 /nfs/dbraw/zinc/70/88/84/949708884.db2.gz BKWSWUUVIVTUEW-BBRMVZONSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC001575277170 949740515 /nfs/dbraw/zinc/74/05/15/949740515.db2.gz OLIABDNHOKWVBZ-OLZOCXBDSA-N 0 1 383.431 1.761 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574480419 949749868 /nfs/dbraw/zinc/74/98/68/949749868.db2.gz IGYIEMYBERHLMQ-KGLIPLIRSA-N 0 1 381.440 1.731 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C=Cc1ccc[nH]1 ZINC001573819322 949754611 /nfs/dbraw/zinc/75/46/11/949754611.db2.gz SYRQXZPOAUAHOL-MOEXGYKKSA-N 0 1 380.456 1.668 20 0 GDADMN CC1(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)CC=CC1 ZINC001575559990 949772697 /nfs/dbraw/zinc/77/26/97/949772697.db2.gz HQLLOGVRBQZCJD-ZDUSSCGKSA-N 0 1 380.456 1.488 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576171789 949782014 /nfs/dbraw/zinc/78/20/14/949782014.db2.gz SGMADVQJCQKSMR-LRDDRELGSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC2(C)CC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172866 949821684 /nfs/dbraw/zinc/82/16/84/949821684.db2.gz YSRAVRTZXBOMPN-ZIAGYGMSSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172916 949829455 /nfs/dbraw/zinc/82/94/55/949829455.db2.gz ZIURVYCLRNHIBS-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172916 949829469 /nfs/dbraw/zinc/82/94/69/949829469.db2.gz ZIURVYCLRNHIBS-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)C[C@@H](C)CN1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574140504 949834422 /nfs/dbraw/zinc/83/44/22/949834422.db2.gz NYSOADQPHKLFLR-CYBMUJFWSA-N 0 1 375.477 1.044 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574484663 949892089 /nfs/dbraw/zinc/89/20/89/949892089.db2.gz LPNPINKIRDWYKJ-GHMZBOCLSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575284265 949899757 /nfs/dbraw/zinc/89/97/57/949899757.db2.gz TVMWLBPYZJZWGC-KBPBESRZSA-N 0 1 387.488 1.798 20 0 GDADMN C[C@H](CC(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001574484797 949905784 /nfs/dbraw/zinc/90/57/84/949905784.db2.gz OLJJWQZQVFUTTN-UKRRQHHQSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574484956 949913106 /nfs/dbraw/zinc/91/31/06/949913106.db2.gz SIHAATYMZFXGLK-ZFWWWQNUSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574484954 949916422 /nfs/dbraw/zinc/91/64/22/949916422.db2.gz SIHAATYMZFXGLK-HIFRSBDPSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](NC(=O)COC(C)(C)C)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575284727 949916713 /nfs/dbraw/zinc/91/67/13/949916713.db2.gz WCKDWUFUGLKGEG-GFCCVEGCSA-N 0 1 390.463 1.757 20 0 GDADMN C[C@H](NC(=O)CN1CCCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284865 949920710 /nfs/dbraw/zinc/92/07/10/949920710.db2.gz KNERDNDEJDDHJH-QWRGUYRKSA-N 0 1 378.868 1.316 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180589 949964582 /nfs/dbraw/zinc/96/45/82/949964582.db2.gz FKJFZHHBKXAPNW-OCCSQVGLSA-N 0 1 382.472 1.165 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574728720 950005736 /nfs/dbraw/zinc/00/57/36/950005736.db2.gz ICWLCDNLAMQUSX-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001576181454 950009536 /nfs/dbraw/zinc/00/95/36/950009536.db2.gz UPHXBWPJAQAHTE-VXGBXAGGSA-N 0 1 382.465 1.405 20 0 GDADMN C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491609 950042431 /nfs/dbraw/zinc/04/24/31/950042431.db2.gz DXEAYBHNBHGXCS-VLIAUNLRSA-N 0 1 392.467 1.936 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1 ZINC001573835393 950051941 /nfs/dbraw/zinc/05/19/41/950051941.db2.gz WQTPUUSCCCQZMH-HZSPNIEDSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)c1 ZINC001574151117 950053565 /nfs/dbraw/zinc/05/35/65/950053565.db2.gz LHKQNQCYUOQIHT-ZDUSSCGKSA-N 0 1 388.501 1.596 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)c1 ZINC001574151117 950053588 /nfs/dbraw/zinc/05/35/88/950053588.db2.gz LHKQNQCYUOQIHT-ZDUSSCGKSA-N 0 1 388.501 1.596 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491987 950054061 /nfs/dbraw/zinc/05/40/61/950054061.db2.gz HYALNMGSNXCBNK-ZFWWWQNUSA-N 0 1 378.440 1.545 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001574151052 950056348 /nfs/dbraw/zinc/05/63/48/950056348.db2.gz KDWBRQUYOMMHOK-UONOGXRCSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001574151052 950056371 /nfs/dbraw/zinc/05/63/71/950056371.db2.gz KDWBRQUYOMMHOK-UONOGXRCSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182893 950072626 /nfs/dbraw/zinc/07/26/26/950072626.db2.gz NWUQBZJGFIXTQT-HIFRSBDPSA-N 0 1 385.472 1.007 20 0 GDADMN CC(C)(C)CC(=O)NC[C@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573836459 950085323 /nfs/dbraw/zinc/08/53/23/950085323.db2.gz LJMDVPGYHRBBGM-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183863 950103717 /nfs/dbraw/zinc/10/37/17/950103717.db2.gz RTCBIDAQLHKGRV-NWDGAFQWSA-N 0 1 379.415 1.625 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574493308 950127869 /nfs/dbraw/zinc/12/78/69/950127869.db2.gz SCIJWWBIMHAMDM-ZBFHGGJFSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574734107 950128476 /nfs/dbraw/zinc/12/84/76/950128476.db2.gz JCUFCIICTZPHBU-OFSOMGBPSA-N 0 1 388.447 1.510 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)[C@H]1CCCCN1C ZINC001574153920 950156862 /nfs/dbraw/zinc/15/68/62/950156862.db2.gz XWMJAGBRCOZWFE-HZPDHXFCSA-N 0 1 386.504 1.689 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575583958 950157138 /nfs/dbraw/zinc/15/71/38/950157138.db2.gz NZWQGJMADLBWPT-LIRRHRJNSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574494740 950179206 /nfs/dbraw/zinc/17/92/06/950179206.db2.gz NLSCGPNBKSCKQI-FZKQIMNGSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576191411 950198250 /nfs/dbraw/zinc/19/82/50/950198250.db2.gz FWUSPVRJVIIQFH-RYUDHWBXSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576191411 950198261 /nfs/dbraw/zinc/19/82/61/950198261.db2.gz FWUSPVRJVIIQFH-RYUDHWBXSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574741752 950255536 /nfs/dbraw/zinc/25/55/36/950255536.db2.gz BYVAMHCYPGSATK-NSHDSACASA-N 0 1 383.460 1.277 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575902439 950260504 /nfs/dbraw/zinc/26/05/04/950260504.db2.gz UWLPFCUPNDHOIJ-MWLCHTKSSA-N 0 1 388.819 1.690 20 0 GDADMN C[C@H]1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379617738 971648879 /nfs/dbraw/zinc/64/88/79/971648879.db2.gz NNLHUGRGQCPEDG-JSGCOSHPSA-N 0 1 378.454 1.439 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCOC1 ZINC001574158239 950274163 /nfs/dbraw/zinc/27/41/63/950274163.db2.gz PNSBCVAIYMUJSD-CABCVRRESA-N 0 1 387.488 1.443 20 0 GDADMN O=C([O-])C1(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000379677338 971654136 /nfs/dbraw/zinc/65/41/36/971654136.db2.gz ARRHNAPRTAAHMN-QGZVFWFLSA-N 0 1 375.469 1.832 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906921 950321384 /nfs/dbraw/zinc/32/13/84/950321384.db2.gz KPZOOICXJQQSGV-MFKMUULPSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906921 950321404 /nfs/dbraw/zinc/32/14/04/950321404.db2.gz KPZOOICXJQQSGV-MFKMUULPSA-N 0 1 387.444 1.855 20 0 GDADMN CC1(C(=O)NCCN2CCC(Nc3ccc(-c4nn[nH]n4)cn3)CC2)CCC1 ZINC001575593930 950324357 /nfs/dbraw/zinc/32/43/57/950324357.db2.gz PRERYZXXMVJDKR-UHFFFAOYSA-N 0 1 384.488 1.444 20 0 GDADMN C[C@@]1(C(=O)NCCCCCCNc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575594418 950330530 /nfs/dbraw/zinc/33/05/30/950330530.db2.gz SSFMRNFJOPFOBL-LJQANCHMSA-N 0 1 387.488 1.589 20 0 GDADMN C[C@]1(C(=O)NCCC2(CNc3ccncc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575594514 950333880 /nfs/dbraw/zinc/33/38/80/950333880.db2.gz KMSCHECXTRRCON-SFHVURJKSA-N 0 1 385.472 1.199 20 0 GDADMN C[C@@H](CC(=O)NCCCN(C)c1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574502702 950389009 /nfs/dbraw/zinc/38/90/09/950389009.db2.gz QKHVRCLEGQEOBP-ZDUSSCGKSA-N 0 1 383.460 1.132 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575597298 950406912 /nfs/dbraw/zinc/40/69/12/950406912.db2.gz OGKNNZRXAHZSNQ-LXIYXOSZSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575597298 950406917 /nfs/dbraw/zinc/40/69/17/950406917.db2.gz OGKNNZRXAHZSNQ-LXIYXOSZSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575605208 950452818 /nfs/dbraw/zinc/45/28/18/950452818.db2.gz APMCBJCSPHUUSE-LXIYXOSZSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)CCOC1 ZINC001575605208 950452829 /nfs/dbraw/zinc/45/28/29/950452829.db2.gz APMCBJCSPHUUSE-LXIYXOSZSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204062 950453691 /nfs/dbraw/zinc/45/36/91/950453691.db2.gz KNUUZBFTQJJSRI-IHRRRGAJSA-N 0 1 385.447 1.137 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204062 950453700 /nfs/dbraw/zinc/45/37/00/950453700.db2.gz KNUUZBFTQJJSRI-IHRRRGAJSA-N 0 1 385.447 1.137 20 0 GDADMN C[C@H](CNC(=O)CN1CCC(C)CC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576204773 950471665 /nfs/dbraw/zinc/47/16/65/950471665.db2.gz CBAZQCDAZZZHDL-GFCCVEGCSA-N 0 1 376.440 1.049 20 0 GDADMN CC(C)(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001573867325 950529952 /nfs/dbraw/zinc/52/99/52/950529952.db2.gz WBOVZFOEHBOAEP-CALCHBBNSA-N 0 1 384.484 1.857 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(F)cn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574753788 950540123 /nfs/dbraw/zinc/54/01/23/950540123.db2.gz SGFTXSGNMDZVOS-LLVKDONJSA-N 0 1 387.394 1.790 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)n1cccc1 ZINC001574511394 950560731 /nfs/dbraw/zinc/56/07/31/950560731.db2.gz JPTQUTHOMPHPNM-MGPQQGTHSA-N 0 1 381.444 1.050 20 0 GDADMN CC(C)(C)OCC(=O)NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573870512 950594132 /nfs/dbraw/zinc/59/41/32/950594132.db2.gz XHTXCUDKGOENEM-UHFFFAOYSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573870537 950597668 /nfs/dbraw/zinc/59/76/68/950597668.db2.gz HSPVXRXFBMCYLG-LBPRGKRZSA-N 0 1 378.502 1.824 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573870537 950597684 /nfs/dbraw/zinc/59/76/84/950597684.db2.gz HSPVXRXFBMCYLG-LBPRGKRZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575000530 950606714 /nfs/dbraw/zinc/60/67/14/950606714.db2.gz FEFZGFXSPMBSKY-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN CCN1CCC([N@@H+]2CCCN(C(=O)c3ccc(OCC(=O)[O-])cc3)CC2)CC1 ZINC001589741715 950611341 /nfs/dbraw/zinc/61/13/41/950611341.db2.gz WCGRXVWPKWWZFU-UHFFFAOYSA-N 0 1 389.496 1.782 20 0 GDADMN CCN1CCC([N@H+]2CCCN(C(=O)c3ccc(OCC(=O)[O-])cc3)CC2)CC1 ZINC001589741715 950611349 /nfs/dbraw/zinc/61/13/49/950611349.db2.gz WCGRXVWPKWWZFU-UHFFFAOYSA-N 0 1 389.496 1.782 20 0 GDADMN CC1(C)C(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1(C)C ZINC001575619801 950622389 /nfs/dbraw/zinc/62/23/89/950622389.db2.gz PTAVTXGXXICCBJ-RYUDHWBXSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575001470 950633173 /nfs/dbraw/zinc/63/31/73/950633173.db2.gz LAXCUUSHLVVUKZ-LLVKDONJSA-N 0 1 383.431 1.731 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575921334 950637361 /nfs/dbraw/zinc/63/73/61/950637361.db2.gz NKGWVAHWSNRRCJ-WPRPVWTQSA-N 0 1 390.354 1.324 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575922401 950644778 /nfs/dbraw/zinc/64/47/78/950644778.db2.gz PILNRHJLGKPYDI-ZANVPECISA-N 0 1 386.366 1.072 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001574517858 950650522 /nfs/dbraw/zinc/65/05/22/950650522.db2.gz MNGASIBYPMLRPL-CXTNEJHOSA-N 0 1 390.513 1.870 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001574517858 950650536 /nfs/dbraw/zinc/65/05/36/950650536.db2.gz MNGASIBYPMLRPL-CXTNEJHOSA-N 0 1 390.513 1.870 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccc2cnccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574760154 950654848 /nfs/dbraw/zinc/65/48/48/950654848.db2.gz UKJMEECXEDYUGG-CYBMUJFWSA-N 0 1 388.435 1.804 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575002524 950663880 /nfs/dbraw/zinc/66/38/80/950663880.db2.gz UUFCTRWJLATVLN-QMMMGPOBSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760511 950666927 /nfs/dbraw/zinc/66/69/27/950666927.db2.gz WGGZBTGCYSJTGB-LBPRGKRZSA-N 0 1 378.440 1.140 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574762517 950708848 /nfs/dbraw/zinc/70/88/48/950708848.db2.gz YMVLSFYVHOQZKA-LBPRGKRZSA-N 0 1 383.460 1.113 20 0 GDADMN C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575006228 950716478 /nfs/dbraw/zinc/71/64/78/950716478.db2.gz TUVBUYJFQYWMQY-CYBMUJFWSA-N 0 1 380.456 1.299 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573878741 950724080 /nfs/dbraw/zinc/72/40/80/950724080.db2.gz ZSKZYOLRGHDOTO-RAIGVLPGSA-N 0 1 378.502 1.177 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C2CCCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216347 950734343 /nfs/dbraw/zinc/73/43/43/950734343.db2.gz DJSNSEFMDVASRP-JSGCOSHPSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)(C)c1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001573881259 950748649 /nfs/dbraw/zinc/74/86/49/950748649.db2.gz BPXFAQNEUDPMCY-HNNXBMFYSA-N 0 1 392.467 1.703 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575927712 950751503 /nfs/dbraw/zinc/75/15/03/950751503.db2.gz SLODXOHQCBSRTM-WBMJQRKESA-N 0 1 381.415 1.467 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccn2nccc12 ZINC001575927770 950757030 /nfs/dbraw/zinc/75/70/30/950757030.db2.gz UCNJCLSLHPOFLD-IUODEOHRSA-N 0 1 389.423 1.046 20 0 GDADMN COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000312605546 950764103 /nfs/dbraw/zinc/76/41/03/950764103.db2.gz SZKPDWNDCPJRPO-XLIONFOSSA-N 0 1 375.469 1.784 20 0 GDADMN CC1(C)CC(CC(=O)N[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001575633107 950812549 /nfs/dbraw/zinc/81/25/49/950812549.db2.gz PYIOHPMIGKTDJW-SJORKVTESA-N 0 1 384.484 1.354 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575634105 950826741 /nfs/dbraw/zinc/82/67/41/950826741.db2.gz ZOQSTNLFVKDSNN-GFCCVEGCSA-N 0 1 378.502 1.321 20 0 GDADMN CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])NC(=O)N[C@H]1c1ccco1 ZINC001590178169 950851923 /nfs/dbraw/zinc/85/19/23/950851923.db2.gz FMUXARUQSDLWKO-SJCJKPOMSA-N 0 1 391.424 1.780 20 0 GDADMN CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2CC(=O)[O-])NC(=O)N[C@H]1c1ccco1 ZINC001590178169 950851942 /nfs/dbraw/zinc/85/19/42/950851942.db2.gz FMUXARUQSDLWKO-SJCJKPOMSA-N 0 1 391.424 1.780 20 0 GDADMN CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575638979 950854805 /nfs/dbraw/zinc/85/48/05/950854805.db2.gz LCGBBMLEUHYGKL-RDBSUJKOSA-N 0 1 382.472 1.709 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576221731 950857140 /nfs/dbraw/zinc/85/71/40/950857140.db2.gz WMPMKEUBPABFGZ-NEPJUHHUSA-N 0 1 384.488 1.410 20 0 GDADMN C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574767598 950858237 /nfs/dbraw/zinc/85/82/37/950858237.db2.gz SOTKXZDZIRTLOD-VIFPVBQESA-N 0 1 391.432 1.418 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639912 950882274 /nfs/dbraw/zinc/88/22/74/950882274.db2.gz DFYNGQLWSCWKBB-LLVKDONJSA-N 0 1 383.416 1.070 20 0 GDADMN CC(C)(C)n1cc(CNC2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)cn1 ZINC001573893908 950907438 /nfs/dbraw/zinc/90/74/38/950907438.db2.gz BLRHCEGDWNPVPN-UHFFFAOYSA-N 0 1 383.460 1.199 20 0 GDADMN CC(C)(CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)CC(F)F ZINC001573893849 950908474 /nfs/dbraw/zinc/90/84/74/950908474.db2.gz ZJSCXGKVVJFDPC-SNVBAGLBSA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)(CC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573896115 950945749 /nfs/dbraw/zinc/94/57/49/950945749.db2.gz GDXJUWJDNUOIOF-JSGCOSHPSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1nn(C)cc1Cl ZINC001574529556 950949738 /nfs/dbraw/zinc/94/97/38/950949738.db2.gz RCPGSSNZZXXLKP-NXEZZACHSA-N 0 1 391.867 1.268 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2ccon2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575643201 950964035 /nfs/dbraw/zinc/96/40/35/950964035.db2.gz ZSHGEAHTUBRRIR-GFCCVEGCSA-N 0 1 382.428 1.675 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)CC(F)F ZINC001573899525 950979947 /nfs/dbraw/zinc/97/99/47/950979947.db2.gz BUCLIJYEEPYXHP-ATCWAGBWSA-N 0 1 391.426 1.884 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)C1CC1 ZINC001573899671 950984728 /nfs/dbraw/zinc/98/47/28/950984728.db2.gz HWVOFYKVVDBVLX-IAGOWNOFSA-N 0 1 384.484 1.354 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001575017428 950995915 /nfs/dbraw/zinc/99/59/15/950995915.db2.gz FXAQEMBMGOCJAS-ZDUSSCGKSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575023612 951082416 /nfs/dbraw/zinc/08/24/16/951082416.db2.gz PBVAUGVZOJAPRY-GFCCVEGCSA-N 0 1 378.440 1.434 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024868 951117316 /nfs/dbraw/zinc/11/73/16/951117316.db2.gz ONYMPLVEXDJAOH-ZDUSSCGKSA-N 0 1 390.451 1.516 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575025082 951125210 /nfs/dbraw/zinc/12/52/10/951125210.db2.gz UOUKHMZSSKDGOG-LBPRGKRZSA-N 0 1 385.497 1.902 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575025082 951125215 /nfs/dbraw/zinc/12/52/15/951125215.db2.gz UOUKHMZSSKDGOG-LBPRGKRZSA-N 0 1 385.497 1.902 20 0 GDADMN C[C@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575025081 951125707 /nfs/dbraw/zinc/12/57/07/951125707.db2.gz UOUKHMZSSKDGOG-GFCCVEGCSA-N 0 1 385.497 1.902 20 0 GDADMN C[C@H](CNC(=O)c1ccc(N(C)C)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575025081 951125713 /nfs/dbraw/zinc/12/57/13/951125713.db2.gz UOUKHMZSSKDGOG-GFCCVEGCSA-N 0 1 385.497 1.902 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)[C@H]3C(=O)[O-])CC2)C1 ZINC000333371311 951129233 /nfs/dbraw/zinc/12/92/33/951129233.db2.gz FQOJNQRCHFSQPA-MDZRGWNJSA-N 0 1 393.528 1.669 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC[C@@H](C)[C@H]3C(=O)[O-])CC2)C1 ZINC000333371311 951129236 /nfs/dbraw/zinc/12/92/36/951129236.db2.gz FQOJNQRCHFSQPA-MDZRGWNJSA-N 0 1 393.528 1.669 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c(C(=O)[O-])c1C ZINC001591466779 951149269 /nfs/dbraw/zinc/14/92/69/951149269.db2.gz NGSYLIBYDLHACZ-ZYHUDNBSSA-N 0 1 398.481 1.820 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c(C(=O)[O-])c1C ZINC001591466779 951149274 /nfs/dbraw/zinc/14/92/74/951149274.db2.gz NGSYLIBYDLHACZ-ZYHUDNBSSA-N 0 1 398.481 1.820 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575029391 951186682 /nfs/dbraw/zinc/18/66/82/951186682.db2.gz UIXYBYIVCMGLGJ-GFCCVEGCSA-N 0 1 379.424 1.097 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575029411 951187760 /nfs/dbraw/zinc/18/77/60/951187760.db2.gz VEYULLLZKFNKSH-CYBMUJFWSA-N 0 1 380.456 1.228 20 0 GDADMN CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575032294 951221271 /nfs/dbraw/zinc/22/12/71/951221271.db2.gz WLVPFDZSMBVCGE-ZDUSSCGKSA-N 0 1 381.440 1.701 20 0 GDADMN C[C@H](CNC(=O)c1ccncn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575034652 951253042 /nfs/dbraw/zinc/25/30/42/951253042.db2.gz PIEUXRBIQXAWKE-SSDOTTSWSA-N 0 1 379.837 1.245 20 0 GDADMN C[C@@H](CNC(=O)c1ccncc1Cl)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575034986 951265088 /nfs/dbraw/zinc/26/50/88/951265088.db2.gz RQEACTIECHVBLX-JTQLQIEISA-N 0 1 389.822 1.962 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043426 951394261 /nfs/dbraw/zinc/39/42/61/951394261.db2.gz JACSNWSTOSXXDD-JTQLQIEISA-N 0 1 384.469 1.504 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575043426 951394273 /nfs/dbraw/zinc/39/42/73/951394273.db2.gz JACSNWSTOSXXDD-JTQLQIEISA-N 0 1 384.469 1.504 20 0 GDADMN O=C([O-])CC[N@H+](C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC001595055630 951493386 /nfs/dbraw/zinc/49/33/86/951493386.db2.gz AYEDXYMVFLCOLO-INIZCTEOSA-N 0 1 392.452 1.267 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575057824 951530527 /nfs/dbraw/zinc/53/05/27/951530527.db2.gz QXIKYYAKTBVGST-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575057824 951530538 /nfs/dbraw/zinc/53/05/38/951530538.db2.gz QXIKYYAKTBVGST-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN C[C@@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575062149 951566926 /nfs/dbraw/zinc/56/69/26/951566926.db2.gz URDLLQITQDBGFO-ZETCQYMHSA-N 0 1 383.890 1.946 20 0 GDADMN C[C@@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575062149 951566928 /nfs/dbraw/zinc/56/69/28/951566928.db2.gz URDLLQITQDBGFO-ZETCQYMHSA-N 0 1 383.890 1.946 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1=O ZINC001595074791 951638101 /nfs/dbraw/zinc/63/81/01/951638101.db2.gz WPOKEAATCXRQMW-ROUUACIJSA-N 0 1 387.480 1.275 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1=O ZINC001595074791 951638107 /nfs/dbraw/zinc/63/81/07/951638107.db2.gz WPOKEAATCXRQMW-ROUUACIJSA-N 0 1 387.480 1.275 20 0 GDADMN C[C@H](CNC(=O)c1sccc1CN(C)C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575069326 951641656 /nfs/dbraw/zinc/64/16/56/951641656.db2.gz HUOCMTSDDRGKAS-LLVKDONJSA-N 0 1 386.485 1.615 20 0 GDADMN C[C@H](CNC(=O)c1scnc1Cl)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575069351 951641989 /nfs/dbraw/zinc/64/19/89/951641989.db2.gz HZWVFRVUTNCVEQ-MRVPVSSYSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ncccc1[O-] ZINC001575089569 951750628 /nfs/dbraw/zinc/75/06/28/951750628.db2.gz GRWHTEHSMVVRIT-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575089875 951755252 /nfs/dbraw/zinc/75/52/52/951755252.db2.gz IEIMNFPDXDKNEN-BLVKFPJESA-N 0 1 390.463 1.493 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575091296 951772967 /nfs/dbraw/zinc/77/29/67/951772967.db2.gz QIJUZPLMOFVISP-PIGZYNQJSA-N 0 1 380.399 1.071 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ccncn1 ZINC001575098424 951822977 /nfs/dbraw/zinc/82/29/77/951822977.db2.gz CQDUBUDNBDUBMA-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ccncn1 ZINC001575098424 951822987 /nfs/dbraw/zinc/82/29/87/951822987.db2.gz CQDUBUDNBDUBMA-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099617 951836695 /nfs/dbraw/zinc/83/66/95/951836695.db2.gz OBWOZWAXLDVQJF-TZMCWYRMSA-N 0 1 390.513 1.587 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099617 951836699 /nfs/dbraw/zinc/83/66/99/951836699.db2.gz OBWOZWAXLDVQJF-TZMCWYRMSA-N 0 1 390.513 1.587 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575103046 951873903 /nfs/dbraw/zinc/87/39/03/951873903.db2.gz RLHKMBZXBYIERI-PEYYIBSZSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575103046 951873908 /nfs/dbraw/zinc/87/39/08/951873908.db2.gz RLHKMBZXBYIERI-PEYYIBSZSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](CNS(=O)(=O)c1ccsc1-c1nn[nH]n1)Oc1ccccc1F ZINC001575118854 951985388 /nfs/dbraw/zinc/98/53/88/951985388.db2.gz UNLCEYCWRYHZHW-SECBINFHSA-N 0 1 383.430 1.813 20 0 GDADMN C[C@@](CNc1cccc(F)c1-c1nn[nH]n1)(NC(=O)CN1CCCC1)C1CC1 ZINC001575133729 952106813 /nfs/dbraw/zinc/10/68/13/952106813.db2.gz GLZQMKMUKWWKKQ-IBGZPJMESA-N 0 1 387.463 1.798 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575145165 952177987 /nfs/dbraw/zinc/17/79/87/952177987.db2.gz RPJGRYBIKCXCQK-MRVPVSSYSA-N 0 1 392.345 1.069 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575146667 952196791 /nfs/dbraw/zinc/19/67/91/952196791.db2.gz NETRHYPEYBKFEW-NSHDSACASA-N 0 1 383.460 1.277 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575146806 952197053 /nfs/dbraw/zinc/19/70/53/952197053.db2.gz NXEFMTLBCBXHCK-LLVKDONJSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575148134 952202349 /nfs/dbraw/zinc/20/23/49/952202349.db2.gz XUROGJFAJADOBP-LLVKDONJSA-N 0 1 382.428 1.197 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccncc1 ZINC001575164224 952288341 /nfs/dbraw/zinc/28/83/41/952288341.db2.gz CBCNBSNDHJJMAU-MRVPVSSYSA-N 0 1 378.849 1.944 20 0 GDADMN C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001575175795 952389110 /nfs/dbraw/zinc/38/91/10/952389110.db2.gz DQTZFYCRDAGAHG-GOSISDBHSA-N 0 1 387.827 1.949 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C1CC(F)(F)C1 ZINC001571114353 952452741 /nfs/dbraw/zinc/45/27/41/952452741.db2.gz HLIRQQNQWGGXCM-UOJUARBOSA-N 0 1 375.383 1.105 20 0 GDADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1cc(F)c[nH]1 ZINC001571116847 952478194 /nfs/dbraw/zinc/47/81/94/952478194.db2.gz DXVPMOVLEYFWNO-JTQLQIEISA-N 0 1 375.433 1.647 20 0 GDADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1cc(F)c[nH]1 ZINC001571116847 952478203 /nfs/dbraw/zinc/47/82/03/952478203.db2.gz DXVPMOVLEYFWNO-JTQLQIEISA-N 0 1 375.433 1.647 20 0 GDADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1cc(F)c[nH]1 ZINC001571116847 952478208 /nfs/dbraw/zinc/47/82/08/952478208.db2.gz DXVPMOVLEYFWNO-JTQLQIEISA-N 0 1 375.433 1.647 20 0 GDADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1cc(F)c[nH]1 ZINC001571116847 952478212 /nfs/dbraw/zinc/47/82/12/952478212.db2.gz DXVPMOVLEYFWNO-JTQLQIEISA-N 0 1 375.433 1.647 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1nccs1 ZINC001571118095 952487202 /nfs/dbraw/zinc/48/72/02/952487202.db2.gz USJCAQNCGRUFGN-GXSJLCMTSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1nccs1 ZINC001571118095 952487204 /nfs/dbraw/zinc/48/72/04/952487204.db2.gz USJCAQNCGRUFGN-GXSJLCMTSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)cn2)CCC1 ZINC001575200734 952497539 /nfs/dbraw/zinc/49/75/39/952497539.db2.gz LFBBERRLZOAJNL-GFCCVEGCSA-N 0 1 381.444 1.314 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)C1CC1 ZINC001575201030 952500756 /nfs/dbraw/zinc/50/07/56/952500756.db2.gz MZGXMJWPAZNVNE-MEDUHNTESA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](Nc1ccc(-c2nn[nH]n2)nc1)C1CC1 ZINC001575201035 952500845 /nfs/dbraw/zinc/50/08/45/952500845.db2.gz MZGXMJWPAZNVNE-ZBEGNZNMSA-N 0 1 381.444 1.170 20 0 GDADMN O=C(c1n[nH]cc1F)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571120639 952505489 /nfs/dbraw/zinc/50/54/89/952505489.db2.gz OHMWGLTVABEEAN-SECBINFHSA-N 0 1 376.421 1.185 20 0 GDADMN O=C(c1n[nH]cc1F)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571120639 952505491 /nfs/dbraw/zinc/50/54/91/952505491.db2.gz OHMWGLTVABEEAN-SECBINFHSA-N 0 1 376.421 1.185 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575202325 952513051 /nfs/dbraw/zinc/51/30/51/952513051.db2.gz VJQJNLWGKVYPNT-YRGRVCCFSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCN(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575203048 952518109 /nfs/dbraw/zinc/51/81/09/952518109.db2.gz ZBUVIPFGAGXXGD-SNVBAGLBSA-N 0 1 389.851 1.069 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575203030 952518801 /nfs/dbraw/zinc/51/88/01/952518801.db2.gz YREIEPANLCSFOQ-ZJUUUORDSA-N 0 1 389.851 1.434 20 0 GDADMN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCOC1 ZINC001571121970 952524166 /nfs/dbraw/zinc/52/41/66/952524166.db2.gz GPWMQEGGYVUYSY-RWMBFGLXSA-N 0 1 376.486 1.339 20 0 GDADMN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCOC1 ZINC001571121970 952524169 /nfs/dbraw/zinc/52/41/69/952524169.db2.gz GPWMQEGGYVUYSY-RWMBFGLXSA-N 0 1 376.486 1.339 20 0 GDADMN Cc1nnsc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123392 952528829 /nfs/dbraw/zinc/52/88/29/952528829.db2.gz RBNZZSHPRJJBKJ-VIFPVBQESA-N 0 1 376.471 1.092 20 0 GDADMN Cc1nnsc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123392 952528833 /nfs/dbraw/zinc/52/88/33/952528833.db2.gz RBNZZSHPRJJBKJ-VIFPVBQESA-N 0 1 376.471 1.092 20 0 GDADMN O=C(NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CC(F)(F)C1 ZINC001571124362 952537433 /nfs/dbraw/zinc/53/74/33/952537433.db2.gz GSZVRMXEXHNJGW-UHFFFAOYSA-N 0 1 377.399 1.640 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124603 952541181 /nfs/dbraw/zinc/54/11/81/952541181.db2.gz OQMSYFVKBVOSAS-YMTOWFKASA-N 0 1 377.399 1.296 20 0 GDADMN O=C(C1C=CC=CC=C1)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571127543 952556539 /nfs/dbraw/zinc/55/65/39/952556539.db2.gz HHKPPLIKLPMTOM-OAHLLOKOSA-N 0 1 377.452 1.633 20 0 GDADMN Cc1c[nH]cc1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571128220 952565119 /nfs/dbraw/zinc/56/51/19/952565119.db2.gz RHCDJLNAEGQDTA-CALCHBBNSA-N 0 1 377.452 1.992 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1NC(=O)C1CC(F)(F)C1 ZINC001571130222 952579636 /nfs/dbraw/zinc/57/96/36/952579636.db2.gz QARSZWUJRSXWIC-JTQLQIEISA-N 0 1 378.387 1.033 20 0 GDADMN Cc1cnccc1CC(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571134157 952586079 /nfs/dbraw/zinc/58/60/79/952586079.db2.gz FJEIOFJVTVBKIL-ZFWWWQNUSA-N 0 1 378.440 1.031 20 0 GDADMN Cc1ccnc(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571134317 952588974 /nfs/dbraw/zinc/58/89/74/952588974.db2.gz HLTIQLZMOXDEBA-MRXNPFEDSA-N 0 1 378.440 1.360 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571134812 952594668 /nfs/dbraw/zinc/59/46/68/952594668.db2.gz NFWNEBGTRIPQQK-CQSZACIVSA-N 0 1 378.440 1.351 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)c1 ZINC001571134807 952595355 /nfs/dbraw/zinc/59/53/55/952595355.db2.gz NDJKRCJKEXOSAI-DZGCQCFKSA-N 0 1 378.440 1.350 20 0 GDADMN Cc1cccc(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571134833 952596194 /nfs/dbraw/zinc/59/61/94/952596194.db2.gz OCOGZJZRCOUWCD-OAHLLOKOSA-N 0 1 378.440 1.754 20 0 GDADMN CCc1cccnc1C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571135553 952606066 /nfs/dbraw/zinc/60/60/66/952606066.db2.gz WMKQMFBNWSJSGW-AWEZNQCLSA-N 0 1 378.440 1.358 20 0 GDADMN CN(C[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)C(=O)c1ccc(=O)[nH]c1 ZINC001571140366 952624282 /nfs/dbraw/zinc/62/42/82/952624282.db2.gz BWHACDGIKROKCW-HNNXBMFYSA-N 0 1 379.424 1.314 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC2(C1)CCCN(Cc1ccccn1)C2 ZINC001571140481 952626407 /nfs/dbraw/zinc/62/64/07/952626407.db2.gz AQSSTPSGPONBBA-UHFFFAOYSA-N 0 1 378.440 1.328 20 0 GDADMN Cc1ncncc1C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571140521 952627060 /nfs/dbraw/zinc/62/70/60/952627060.db2.gz BUPAIABQQVXQOG-MRXNPFEDSA-N 0 1 378.440 1.360 20 0 GDADMN Cc1c[nH]cc1C(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571141934 952636873 /nfs/dbraw/zinc/63/68/73/952636873.db2.gz KYKVSUHLHFNBAD-ZKCHVHJHSA-N 0 1 378.849 1.986 20 0 GDADMN COc1cccnc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571142627 952644237 /nfs/dbraw/zinc/64/42/37/952644237.db2.gz YVUCZFYGUZHXNC-OAHLLOKOSA-N 0 1 379.424 1.275 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1cc(C2CC2)on1 ZINC001571146930 952653962 /nfs/dbraw/zinc/65/39/62/952653962.db2.gz DCCUMFYYMNKMQF-AWEZNQCLSA-N 0 1 379.424 1.736 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571147159 952658074 /nfs/dbraw/zinc/65/80/74/952658074.db2.gz HUNOLIYGRYQRRF-ZIAGYGMSSA-N 0 1 379.428 1.177 20 0 GDADMN C[C@@H](NC(=O)c1ccnnc1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571147598 952663672 /nfs/dbraw/zinc/66/36/72/952663672.db2.gz OVHZPNDWOMLXDU-TZMCWYRMSA-N 0 1 379.428 1.087 20 0 GDADMN C[C@@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cn[nH]c1 ZINC001571152638 952683040 /nfs/dbraw/zinc/68/30/40/952683040.db2.gz IWJDPTCPKAETRE-HTRCEHHLSA-N 0 1 379.837 1.415 20 0 GDADMN O=C(N[C@@]12CCC[C@@H]1N(Cc1cc(F)ccc1-c1nn[nH]n1)CC2)C(F)F ZINC001571152671 952683681 /nfs/dbraw/zinc/68/36/81/952683681.db2.gz JSPRUKSCGSIKMT-SUMWQHHRSA-N 0 1 380.374 1.884 20 0 GDADMN CN(C(=O)c1ccn[nH]1)[C@@H]1CCN(c2nc(Cl)c(-c3nn[nH]n3)s2)C1 ZINC001571153623 952687077 /nfs/dbraw/zinc/68/70/77/952687077.db2.gz SBUGDLNAXKOBCC-SSDOTTSWSA-N 0 1 379.837 1.051 20 0 GDADMN C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571155034 952691856 /nfs/dbraw/zinc/69/18/56/952691856.db2.gz FJWRCWRDYJKSJX-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001571157952 952709078 /nfs/dbraw/zinc/70/90/78/952709078.db2.gz DICIVYFVPNBISL-LBPRGKRZSA-N 0 1 380.412 1.022 20 0 GDADMN Cc1occc1C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571161021 952730086 /nfs/dbraw/zinc/73/00/86/952730086.db2.gz OTZOOVWCYIGAOE-QWHCGFSZSA-N 0 1 380.412 1.133 20 0 GDADMN O=C(c1cnc(C2CC2)o1)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571161430 952733332 /nfs/dbraw/zinc/73/33/32/952733332.db2.gz VNFUGJOEWBOLKY-GFCCVEGCSA-N 0 1 380.412 1.266 20 0 GDADMN Cc1ccncc1CN1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 ZINC001571169659 952777252 /nfs/dbraw/zinc/77/72/52/952777252.db2.gz JVLNBTDNWPDFAQ-MRXNPFEDSA-N 0 1 380.456 1.539 20 0 GDADMN Cc1cccnc1CN1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 ZINC001571169766 952778186 /nfs/dbraw/zinc/77/81/86/952778186.db2.gz MHYCQGLJYVFZGS-MRXNPFEDSA-N 0 1 380.456 1.539 20 0 GDADMN Cc1cc(C)c(C(=O)NC[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]1 ZINC001571169867 952779773 /nfs/dbraw/zinc/77/97/73/952779773.db2.gz PMCIAEFXSIEETF-CQSZACIVSA-N 0 1 380.456 1.771 20 0 GDADMN CCn1cccc1C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571169892 952780480 /nfs/dbraw/zinc/78/04/80/952780480.db2.gz PXSOTKFTPDRRAJ-CQSZACIVSA-N 0 1 380.456 1.612 20 0 GDADMN Cc1nccnc1[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001571171673 952796052 /nfs/dbraw/zinc/79/60/52/952796052.db2.gz VYMCDRLQWGYXCL-QMMMGPOBSA-N 0 1 381.368 1.283 20 0 GDADMN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571172007 952800356 /nfs/dbraw/zinc/80/03/56/952800356.db2.gz KDBWETNFRXZFMW-FIQUKUQUSA-N 0 1 381.362 1.141 20 0 GDADMN O=C(c1cnco1)N1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571172085 952801647 /nfs/dbraw/zinc/80/16/47/952801647.db2.gz LUZUBVRHLZZUOK-UHFFFAOYSA-N 0 1 380.821 1.317 20 0 GDADMN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571172393 952807410 /nfs/dbraw/zinc/80/74/10/952807410.db2.gz UTBJHHOBAABSFM-ZHMBSYLPSA-N 0 1 380.456 1.130 20 0 GDADMN Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2ccoc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180273 952859233 /nfs/dbraw/zinc/85/92/33/952859233.db2.gz OFECGVOMVLZKNH-HOCLYGCPSA-N 0 1 381.440 1.525 20 0 GDADMN CN(C[C@@H]1CCCCN1C(=O)Cc1ccco1)c1ccncc1-c1nn[nH]n1 ZINC001571183156 952874166 /nfs/dbraw/zinc/87/41/66/952874166.db2.gz QEMLQWFBQIEWEC-AWEZNQCLSA-N 0 1 381.440 1.915 20 0 GDADMN O=C(CCc1ccc(F)cc1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571183278 952875378 /nfs/dbraw/zinc/87/53/78/952875378.db2.gz VFJIMPMKPSETEX-HNNXBMFYSA-N 0 1 381.415 1.468 20 0 GDADMN COc1ccc(CN2CCC[C@H](NC(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571183202 952875761 /nfs/dbraw/zinc/87/57/61/952875761.db2.gz SIANWRAAXAAFCK-AWEZNQCLSA-N 0 1 381.440 1.598 20 0 GDADMN CCCc1[nH]ccc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571183476 952878707 /nfs/dbraw/zinc/87/87/07/952878707.db2.gz BEECZYGKNFQOQY-VXGBXAGGSA-N 0 1 381.444 1.074 20 0 GDADMN CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571183824 952883634 /nfs/dbraw/zinc/88/36/34/952883634.db2.gz KKGJSMYORAQQAN-ZDUSSCGKSA-N 0 1 381.444 1.178 20 0 GDADMN CC1(C)C[C@@H](NC(=O)c2ccc[nH]2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184425 952894026 /nfs/dbraw/zinc/89/40/26/952894026.db2.gz YYWBWEVDNUMJDN-LBPRGKRZSA-N 0 1 381.444 1.410 20 0 GDADMN CCn1cccc1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571185794 952904009 /nfs/dbraw/zinc/90/40/09/952904009.db2.gz PPUIXENOOZSLSQ-CYBMUJFWSA-N 0 1 381.444 1.007 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)n1 ZINC001571188583 952917598 /nfs/dbraw/zinc/91/75/98/952917598.db2.gz LKOCQNVCYXXVDX-CYBMUJFWSA-N 0 1 381.444 1.186 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H]([C@H](C)Nc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571188892 952921591 /nfs/dbraw/zinc/92/15/91/952921591.db2.gz PBSGWJYGGSOKEP-JSGCOSHPSA-N 0 1 381.444 1.646 20 0 GDADMN Cn1cccc1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571189302 952928225 /nfs/dbraw/zinc/92/82/25/952928225.db2.gz PJEINTSVGYXRIQ-CYBMUJFWSA-N 0 1 381.444 1.174 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3cnn(C(C)C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189644 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MAPYGCALODDNQH-AWEZNQCLSA-N 0 1 383.518 1.336 20 0 GDADMN CCCN(C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739347652 602613206 /nfs/dbraw/zinc/61/32/06/602613206.db2.gz AMDIHLHKKCAFNU-SJORKVTESA-N 0 1 383.537 1.432 20 0 GDADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000739174980 602628629 /nfs/dbraw/zinc/62/86/29/602628629.db2.gz ASFLOQUDBFHXGP-VQHPVUNQSA-N 0 1 382.505 1.660 20 0 GDADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[O-])CC1 ZINC000739461673 602640137 /nfs/dbraw/zinc/64/01/37/602640137.db2.gz UYMRAQWJHFESHA-TVFCKZIOSA-N 0 1 380.533 1.687 20 0 GDADMN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000739727555 602656395 /nfs/dbraw/zinc/65/63/95/602656395.db2.gz PLODGCQTIYITQI-SJORKVTESA-N 0 1 381.521 1.330 20 0 GDADMN CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)c2C1 ZINC000739364016 602662449 /nfs/dbraw/zinc/66/24/49/602662449.db2.gz KPBIJEMEJGNEJK-AWEZNQCLSA-N 0 1 388.468 1.809 20 0 GDADMN CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)c2C1 ZINC000739364016 602662450 /nfs/dbraw/zinc/66/24/50/602662450.db2.gz KPBIJEMEJGNEJK-AWEZNQCLSA-N 0 1 388.468 1.809 20 0 GDADMN CC1CCC(N2C[C@H](C(=O)NCCC[NH+]3CCN(C(=O)[O-])CC3)CC2=O)CC1 ZINC000739087748 602685995 /nfs/dbraw/zinc/68/59/95/602685995.db2.gz SJUKPKLIIPCVED-AQFXKWCLSA-N 0 1 394.516 1.216 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCCCN3C(=O)[O-])C2)nc(C)[nH+]1 ZINC000740079616 602690004 /nfs/dbraw/zinc/69/00/04/602690004.db2.gz JWRCINXAJGASEG-CVEARBPZSA-N 0 1 390.488 1.894 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@H](CNC(=O)[O-])C3)C2)nc(C)[nH+]1 ZINC000740081294 602691758 /nfs/dbraw/zinc/69/17/58/602691758.db2.gz WJNADCCCEOFLCK-GJZGRUSLSA-N 0 1 376.461 1.361 20 0 GDADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000739176510 602695331 /nfs/dbraw/zinc/69/53/31/602695331.db2.gz MTXYZWIPCKSFEJ-ZNMIVQPWSA-N 0 1 384.521 1.952 20 0 GDADMN C[C@H](NC(=O)[O-])C1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000739176510 602695333 /nfs/dbraw/zinc/69/53/33/602695333.db2.gz MTXYZWIPCKSFEJ-ZNMIVQPWSA-N 0 1 384.521 1.952 20 0 GDADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000739176503 602695419 /nfs/dbraw/zinc/69/54/19/602695419.db2.gz MTXYZWIPCKSFEJ-QLFBSQMISA-N 0 1 384.521 1.952 20 0 GDADMN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000739176503 602695421 /nfs/dbraw/zinc/69/54/21/602695421.db2.gz MTXYZWIPCKSFEJ-QLFBSQMISA-N 0 1 384.521 1.952 20 0 GDADMN C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739174698 602759537 /nfs/dbraw/zinc/75/95/37/602759537.db2.gz JHDHXZMYPRYRGX-FPAYPSAMSA-N 0 1 388.512 1.744 20 0 GDADMN C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173865 602761491 /nfs/dbraw/zinc/76/14/91/602761491.db2.gz GNOLOINZCINMJL-YCPHGPKFSA-N 0 1 391.468 1.483 20 0 GDADMN C[C@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739185229 602775795 /nfs/dbraw/zinc/77/57/95/602775795.db2.gz OIEABJSRHMOBES-BBRMVZONSA-N 0 1 385.486 1.294 20 0 GDADMN C[NH+](C)C1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCCCC1 ZINC000825849824 607585441 /nfs/dbraw/zinc/58/54/41/607585441.db2.gz NGOKKSLBSYOEHF-UHFFFAOYSA-N 0 1 396.492 1.939 20 0 GDADMN C[NH+](C)C1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCCCC1 ZINC000825849824 607585443 /nfs/dbraw/zinc/58/54/43/607585443.db2.gz NGOKKSLBSYOEHF-UHFFFAOYSA-N 0 1 396.492 1.939 20 0 GDADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740162127 602789141 /nfs/dbraw/zinc/78/91/41/602789141.db2.gz GRMGRFVFCFURHQ-OWCLPIDISA-N 0 1 390.484 1.725 20 0 GDADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740162127 602789144 /nfs/dbraw/zinc/78/91/44/602789144.db2.gz GRMGRFVFCFURHQ-OWCLPIDISA-N 0 1 390.484 1.725 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(CNC(=O)[O-])c2)CC1=O ZINC000739452795 602790819 /nfs/dbraw/zinc/79/08/19/602790819.db2.gz ATVXMIKNOYMAJB-RDJZCZTQSA-N 0 1 388.468 1.726 20 0 GDADMN C[C@@H]1C[N@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@H]1NC(=O)[O-] ZINC000739168050 602799142 /nfs/dbraw/zinc/79/91/42/602799142.db2.gz CLXSZOZEXXKJTH-CHWSQXEVSA-N 0 1 376.482 1.933 20 0 GDADMN C[C@@H]1C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@H]1NC(=O)[O-] ZINC000739168050 602799145 /nfs/dbraw/zinc/79/91/45/602799145.db2.gz CLXSZOZEXXKJTH-CHWSQXEVSA-N 0 1 376.482 1.933 20 0 GDADMN CCN(CC(=O)OCC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(=O)[O-] ZINC000739401904 602815253 /nfs/dbraw/zinc/81/52/53/602815253.db2.gz YTTPOWGIVPENGA-UHFFFAOYSA-N 0 1 391.468 1.572 20 0 GDADMN C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[C@@H]1NC(=O)[O-] ZINC000739137533 602821164 /nfs/dbraw/zinc/82/11/64/602821164.db2.gz HPCNPMNAMHBEBU-YJBOKZPZSA-N 0 1 390.484 1.706 20 0 GDADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCCN3C(=O)[O-])CC2)cn1 ZINC000826958577 602867812 /nfs/dbraw/zinc/86/78/12/602867812.db2.gz HAZUTGPCHREAOX-QGZVFWFLSA-N 0 1 377.489 1.860 20 0 GDADMN CCCn1cc(C[N@H+]2CCCN(C(=O)C[C@H]3CCCN3C(=O)[O-])CC2)cn1 ZINC000826958577 602867815 /nfs/dbraw/zinc/86/78/15/602867815.db2.gz HAZUTGPCHREAOX-QGZVFWFLSA-N 0 1 377.489 1.860 20 0 GDADMN COc1ccccc1[C@H](NC(=O)[O-])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000739979889 602910266 /nfs/dbraw/zinc/91/02/66/602910266.db2.gz TVKCETQIGYASBF-PBHICJAKSA-N 0 1 378.473 1.004 20 0 GDADMN C[C@@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823693160 602926553 /nfs/dbraw/zinc/92/65/53/602926553.db2.gz KBKRBJIEXJCIST-SJLPKXTDSA-N 0 1 376.501 1.775 20 0 GDADMN C[C@@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823693160 602926556 /nfs/dbraw/zinc/92/65/56/602926556.db2.gz KBKRBJIEXJCIST-SJLPKXTDSA-N 0 1 376.501 1.775 20 0 GDADMN C[C@@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823693160 602926557 /nfs/dbraw/zinc/92/65/57/602926557.db2.gz KBKRBJIEXJCIST-SJLPKXTDSA-N 0 1 376.501 1.775 20 0 GDADMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000739196612 602965641 /nfs/dbraw/zinc/96/56/41/602965641.db2.gz HKGWCIWTSFHWKV-DOTOQJQBSA-N 0 1 375.473 1.830 20 0 GDADMN O=C([O-])N1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000740416496 602973010 /nfs/dbraw/zinc/97/30/10/602973010.db2.gz WDVWUAHRTOMYCN-QZTJIDSGSA-N 0 1 390.484 1.580 20 0 GDADMN CC(C)[C@H](CNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)NC(=O)[O-] ZINC000738786950 602975572 /nfs/dbraw/zinc/97/55/72/602975572.db2.gz SLXZURJQSHLYOP-IRXDYDNUSA-N 0 1 378.473 1.339 20 0 GDADMN O=C([O-])N1CCCC[C@H](NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000740517548 602977034 /nfs/dbraw/zinc/97/70/34/602977034.db2.gz GSGASSKRPMRNJX-ROUUACIJSA-N 0 1 390.484 1.580 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000737669623 603015715 /nfs/dbraw/zinc/01/57/15/603015715.db2.gz RIWTXGPUBPXBGA-OAHLLOKOSA-N 0 1 375.473 1.098 20 0 GDADMN CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000739230636 603016181 /nfs/dbraw/zinc/01/61/81/603016181.db2.gz JMIFTDLIBGZOPB-UXLLHSPISA-N 0 1 377.489 1.391 20 0 GDADMN Cc1ccccc1[C@@H]1CC[N@H+](CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000740180692 603050325 /nfs/dbraw/zinc/05/03/25/603050325.db2.gz JKHISDKTBGFDIE-OAHLLOKOSA-N 0 1 386.452 1.806 20 0 GDADMN Cc1ccccc1[C@@H]1CC[N@@H+](CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000740180692 603050330 /nfs/dbraw/zinc/05/03/30/603050330.db2.gz JKHISDKTBGFDIE-OAHLLOKOSA-N 0 1 386.452 1.806 20 0 GDADMN CCO[C@@H]1C[C@H]([N@H+](C)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1(C)C ZINC000739492651 603051544 /nfs/dbraw/zinc/05/15/44/603051544.db2.gz XNIUQXBVGGUFHR-QWHCGFSZSA-N 0 1 382.461 1.144 20 0 GDADMN CCO[C@@H]1C[C@H]([N@@H+](C)CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1(C)C ZINC000739492651 603051550 /nfs/dbraw/zinc/05/15/50/603051550.db2.gz XNIUQXBVGGUFHR-QWHCGFSZSA-N 0 1 382.461 1.144 20 0 GDADMN O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000740340283 603093135 /nfs/dbraw/zinc/09/31/35/603093135.db2.gz FJSYTOZHRHVBDI-ROUUACIJSA-N 0 1 375.469 1.267 20 0 GDADMN C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000739205906 603121023 /nfs/dbraw/zinc/12/10/23/603121023.db2.gz XEQYBHLNHMYLGW-WMLDXEAASA-N 0 1 391.468 1.638 20 0 GDADMN Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740033887 603216616 /nfs/dbraw/zinc/21/66/16/603216616.db2.gz ZRHVJCPPJAXRHB-IUODEOHRSA-N 0 1 378.477 1.456 20 0 GDADMN C[C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823669868 603236156 /nfs/dbraw/zinc/23/61/56/603236156.db2.gz QDHNCEONMJAYIL-JQHSSLGASA-N 0 1 375.469 1.955 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738908778 603269192 /nfs/dbraw/zinc/26/91/92/603269192.db2.gz AKELFVXLWCCWMA-IXDOHACOSA-N 0 1 389.500 1.535 20 0 GDADMN 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1.148 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000821979849 606855622 /nfs/dbraw/zinc/85/56/22/606855622.db2.gz ZPHHYBQJTSRPFW-BXKDBHETSA-N 0 1 377.474 1.148 20 0 GDADMN O=C(c1ccsc1)N1CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823498348 606856409 /nfs/dbraw/zinc/85/64/09/606856409.db2.gz MAMMCJNHMYASKF-KRWDZBQOSA-N 0 1 398.492 1.810 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1-c1nnn[n-]1 ZINC000821979389 606857619 /nfs/dbraw/zinc/85/76/19/606857619.db2.gz ROZIJEBIWBYBBB-NSHDSACASA-N 0 1 391.501 1.397 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1-c1nn[n-]n1 ZINC000821979389 606857620 /nfs/dbraw/zinc/85/76/20/606857620.db2.gz ROZIJEBIWBYBBB-NSHDSACASA-N 0 1 391.501 1.397 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1-c1nn[n-]n1 ZINC000821979389 606857621 /nfs/dbraw/zinc/85/76/21/606857621.db2.gz ROZIJEBIWBYBBB-NSHDSACASA-N 0 1 391.501 1.397 20 0 GDADMN O=C(N1CCNCC1)N1CCN(Cc2cccc(O)c2Br)CC1 ZINC000530244008 649968614 /nfs/dbraw/zinc/96/86/14/649968614.db2.gz USKDEQYSARDUDT-UHFFFAOYSA-N 0 1 383.290 1.298 20 0 GDADMN COC1CCC(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000821679811 606896016 /nfs/dbraw/zinc/89/60/16/606896016.db2.gz NKGPOGOROOZUFF-UHFFFAOYSA-N 0 1 387.412 1.628 20 0 GDADMN O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823363416 606917653 /nfs/dbraw/zinc/91/76/53/606917653.db2.gz CLPJCAZQXZIRBO-UHFFFAOYSA-N 0 1 393.451 1.718 20 0 GDADMN O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823363416 606917655 /nfs/dbraw/zinc/91/76/55/606917655.db2.gz CLPJCAZQXZIRBO-UHFFFAOYSA-N 0 1 393.451 1.718 20 0 GDADMN CN1CCN(c2cccc(F)c2-c2nn[nH]n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821628279 606969778 /nfs/dbraw/zinc/96/97/78/606969778.db2.gz DZSNFLQELJZPHV-LBPRGKRZSA-N 0 1 391.451 1.651 20 0 GDADMN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000530262704 649969121 /nfs/dbraw/zinc/96/91/21/649969121.db2.gz XOXXIKWCBDANHY-NSHDSACASA-N 0 1 383.861 1.735 20 0 GDADMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000821267320 607047293 /nfs/dbraw/zinc/04/72/93/607047293.db2.gz MLRGKRKAPSRASM-GOSISDBHSA-N 0 1 399.499 1.641 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000822216276 607095856 /nfs/dbraw/zinc/09/58/56/607095856.db2.gz KSYAJJGRUAKJOO-UHFFFAOYSA-N 0 1 397.483 1.591 20 0 GDADMN CCOC(=O)[C@@]1(CCn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)CCCC1=O ZINC000821320111 607165725 /nfs/dbraw/zinc/16/57/25/607165725.db2.gz KMJUZXJNCZPIGR-HXUWFJFHSA-N 0 1 395.419 1.874 20 0 GDADMN CC1CC[NH+](CCN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CC1 ZINC000820722052 607176314 /nfs/dbraw/zinc/17/63/14/607176314.db2.gz DLKIAVRPQWKLLJ-UHFFFAOYSA-N 0 1 386.504 1.586 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000823131784 607206201 /nfs/dbraw/zinc/20/62/01/607206201.db2.gz ONTMSGDKARTEJQ-UHFFFAOYSA-N 0 1 386.379 1.436 20 0 GDADMN COC(=O)c1cc2ccccc2cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821668700 607214013 /nfs/dbraw/zinc/21/40/13/607214013.db2.gz DYYZNZZMKVSXCP-UHFFFAOYSA-N 0 1 378.352 1.037 20 0 GDADMN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820206705 607223545 /nfs/dbraw/zinc/22/35/45/607223545.db2.gz WYJSBALBCCDCJT-UHFFFAOYSA-N 0 1 392.427 1.084 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823126652 607224691 /nfs/dbraw/zinc/22/46/91/607224691.db2.gz LATWTLPAGWXRKN-GFCCVEGCSA-N 0 1 379.384 1.353 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823126742 607224755 /nfs/dbraw/zinc/22/47/55/607224755.db2.gz MMVDSSFNCLAQMF-CYBMUJFWSA-N 0 1 380.412 1.411 20 0 GDADMN Cc1nnccc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826337156 607793302 /nfs/dbraw/zinc/79/33/02/607793302.db2.gz DSHXEKMCXWRMBO-UHFFFAOYSA-N 0 1 378.440 1.313 20 0 GDADMN Cc1ccc(OCCNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826292217 607814857 /nfs/dbraw/zinc/81/48/57/607814857.db2.gz LTLBYQREMRXMRL-UHFFFAOYSA-N 0 1 387.465 1.617 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(SCc2ccccc2)cn1 ZINC000826425837 607824607 /nfs/dbraw/zinc/82/46/07/607824607.db2.gz WABXNKUCWBPQPA-UHFFFAOYSA-N 0 1 393.436 1.784 20 0 GDADMN Cc1cnccc1CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826319386 607853034 /nfs/dbraw/zinc/85/30/34/607853034.db2.gz ALMCREBBQDXYGJ-UHFFFAOYSA-N 0 1 380.380 1.369 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1-c1nn[nH]n1 ZINC000826229986 607870426 /nfs/dbraw/zinc/87/04/26/607870426.db2.gz ZGNFGIUHPSYXGM-TVQRCGJNSA-N 0 1 398.448 1.984 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000826175263 607871015 /nfs/dbraw/zinc/87/10/15/607871015.db2.gz YNARRQXFIYUIPG-QGZVFWFLSA-N 0 1 381.436 1.673 20 0 GDADMN CS(=O)(=O)Nc1ccccc1C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826223955 607951636 /nfs/dbraw/zinc/95/16/36/607951636.db2.gz IREKHZROUZKLHI-UHFFFAOYSA-N 0 1 384.421 1.441 20 0 GDADMN CC(C)(NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1Br ZINC000824166727 607958123 /nfs/dbraw/zinc/95/81/23/607958123.db2.gz JFWAXWYGSBRKSA-UHFFFAOYSA-N 0 1 391.233 1.272 20 0 GDADMN CCC(=O)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825034346 608019497 /nfs/dbraw/zinc/01/94/97/608019497.db2.gz IBMRMQFIQXSBGP-UHFFFAOYSA-N 0 1 382.428 1.587 20 0 GDADMN CCC(=O)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825034346 608019498 /nfs/dbraw/zinc/01/94/98/608019498.db2.gz IBMRMQFIQXSBGP-UHFFFAOYSA-N 0 1 382.428 1.587 20 0 GDADMN CCCc1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)s1 ZINC000825352447 608020162 /nfs/dbraw/zinc/02/01/62/608020162.db2.gz NSOURSWBCDZSIS-UHFFFAOYSA-N 0 1 375.462 1.403 20 0 GDADMN CCCc1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)s1 ZINC000825352447 608020163 /nfs/dbraw/zinc/02/01/63/608020163.db2.gz NSOURSWBCDZSIS-UHFFFAOYSA-N 0 1 375.462 1.403 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Sc2ccccn2)c1-c1nnn[n-]1 ZINC000826073035 608020817 /nfs/dbraw/zinc/02/08/17/608020817.db2.gz BGUNEWCAXTXHDG-SNVBAGLBSA-N 0 1 387.473 1.256 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Sc2ccccn2)c1-c1nn[n-]n1 ZINC000826073035 608020818 /nfs/dbraw/zinc/02/08/18/608020818.db2.gz BGUNEWCAXTXHDG-SNVBAGLBSA-N 0 1 387.473 1.256 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c1-c1nnn[n-]1 ZINC000826077617 608021378 /nfs/dbraw/zinc/02/13/78/608021378.db2.gz OKANKYUCUBBHGX-HNNXBMFYSA-N 0 1 396.455 1.301 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c1-c1nn[n-]n1 ZINC000826077617 608021379 /nfs/dbraw/zinc/02/13/79/608021379.db2.gz OKANKYUCUBBHGX-HNNXBMFYSA-N 0 1 396.455 1.301 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c1-c1nnn[n-]1 ZINC000826077609 608022079 /nfs/dbraw/zinc/02/20/79/608022079.db2.gz OJAYLNSNHIXUFM-GHMZBOCLSA-N 0 1 386.485 1.854 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)c1-c1nn[n-]n1 ZINC000826077609 608022080 /nfs/dbraw/zinc/02/20/80/608022080.db2.gz OJAYLNSNHIXUFM-GHMZBOCLSA-N 0 1 386.485 1.854 20 0 GDADMN COc1ncc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1Cl ZINC000826222108 608036412 /nfs/dbraw/zinc/03/64/12/608036412.db2.gz IRIUYCHGHCETRM-UHFFFAOYSA-N 0 1 377.840 1.294 20 0 GDADMN COc1ncc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1Cl ZINC000826222108 608036413 /nfs/dbraw/zinc/03/64/13/608036413.db2.gz IRIUYCHGHCETRM-UHFFFAOYSA-N 0 1 377.840 1.294 20 0 GDADMN Cc1[nH+]ccn1CCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000826232935 608107756 /nfs/dbraw/zinc/10/77/56/608107756.db2.gz NRPZATQPBLCPJF-UHFFFAOYSA-N 0 1 385.428 1.655 20 0 GDADMN C[C@H](CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824402658 608126355 /nfs/dbraw/zinc/12/63/55/608126355.db2.gz XQGSSSIRAUQYDR-GFCCVEGCSA-N 0 1 382.465 1.549 20 0 GDADMN C[C@H](CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824402658 608126356 /nfs/dbraw/zinc/12/63/56/608126356.db2.gz XQGSSSIRAUQYDR-GFCCVEGCSA-N 0 1 382.465 1.549 20 0 GDADMN O=C([C@@H](O)c1ccccc1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737782963 608184645 /nfs/dbraw/zinc/18/46/45/608184645.db2.gz QVLGCCFJBGYXFK-IBGZPJMESA-N 0 1 392.463 1.635 20 0 GDADMN CCCN(CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825307513 608254111 /nfs/dbraw/zinc/25/41/11/608254111.db2.gz CGELLILUMIWCOF-GOSISDBHSA-N 0 1 384.484 1.716 20 0 GDADMN C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)[C@@H](C)CN1Cc1ccccc1 ZINC000824976093 608306089 /nfs/dbraw/zinc/30/60/89/608306089.db2.gz MVBYAFAOJCLXFA-KGLIPLIRSA-N 0 1 395.471 1.727 20 0 GDADMN CCC[C@@H]1CN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825252524 608313944 /nfs/dbraw/zinc/31/39/44/608313944.db2.gz IPYZBZSQQRSXAX-GOSISDBHSA-N 0 1 386.500 1.759 20 0 GDADMN C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825860885 608342490 /nfs/dbraw/zinc/34/24/90/608342490.db2.gz ZYKGIYKTEVRKAL-UHFFFAOYSA-N 0 1 396.492 1.748 20 0 GDADMN C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825860885 608342493 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ZINC001571281789 945814633 /nfs/dbraw/zinc/81/46/33/945814633.db2.gz NTHPWVVKLLHNMU-ZWNOBZJWSA-N 0 1 387.473 1.219 20 0 GDADMN CCc1cc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC001571282229 945834101 /nfs/dbraw/zinc/83/41/01/945834101.db2.gz VGSXHWNNDYJDSW-UHFFFAOYSA-N 0 1 387.469 1.777 20 0 GDADMN CCc1cc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC001571282229 945834108 /nfs/dbraw/zinc/83/41/08/945834108.db2.gz VGSXHWNNDYJDSW-UHFFFAOYSA-N 0 1 387.469 1.777 20 0 GDADMN O=C(NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1cscn1 ZINC001571282287 945839530 /nfs/dbraw/zinc/83/95/30/945839530.db2.gz GASWCQATPLREQB-UHFFFAOYSA-N 0 1 387.444 1.857 20 0 GDADMN Cc1nn[nH]c1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282374 945843947 /nfs/dbraw/zinc/84/39/47/945843947.db2.gz WNJNFWOHLRDDQY-WDEREUQCSA-N 0 1 387.473 1.186 20 0 GDADMN Cc1nn[nH]c1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282374 945843959 /nfs/dbraw/zinc/84/39/59/945843959.db2.gz WNJNFWOHLRDDQY-WDEREUQCSA-N 0 1 387.473 1.186 20 0 GDADMN O=C(NC[C@@H]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)c1nccs1 ZINC001571282747 945859310 /nfs/dbraw/zinc/85/93/10/945859310.db2.gz PNYSHONJMBBDCZ-NSHDSACASA-N 0 1 387.444 1.714 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)[C@@H]1CC[C@H](F)C1 ZINC001571286322 945944228 /nfs/dbraw/zinc/94/42/28/945944228.db2.gz DOYKTTAPVIKLNS-KSRBRMDJSA-N 0 1 388.422 1.690 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1(F)CCCC1 ZINC001571286939 945962660 /nfs/dbraw/zinc/96/26/60/945962660.db2.gz WGFIUHBTLJKFER-FOLVSLTJSA-N 0 1 388.422 1.835 20 0 GDADMN O=C(N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1)C1(CF)CCC1 ZINC001571289361 946004388 /nfs/dbraw/zinc/00/43/88/946004388.db2.gz ANSPFBFKILOLGN-UHFFFAOYSA-N 0 1 388.451 1.259 20 0 GDADMN C[N@H+]1CC[C@@H](C(=O)NC2CCC(Nc3ncc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001571289436 946007763 /nfs/dbraw/zinc/00/77/63/946007763.db2.gz DGCIBQLIDWVLNW-LMWSTFAQSA-N 0 1 388.451 1.192 20 0 GDADMN Cc1n[nH]c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)c1[O-] ZINC001571289513 946008577 /nfs/dbraw/zinc/00/85/77/946008577.db2.gz GKSOUMQWPRRVBR-INIZCTEOSA-N 0 1 388.457 1.060 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)[C@H]1CCCO1 ZINC001571289600 946012466 /nfs/dbraw/zinc/01/24/66/946012466.db2.gz IMSWWMODRGSMRT-WPEGABGTSA-N 0 1 388.497 1.290 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)[C@H]1CCCO1 ZINC001571289600 946012474 /nfs/dbraw/zinc/01/24/74/946012474.db2.gz IMSWWMODRGSMRT-WPEGABGTSA-N 0 1 388.497 1.290 20 0 GDADMN Cc1ccoc1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571290201 946031995 /nfs/dbraw/zinc/03/19/95/946031995.db2.gz XNWBMOCOBAXLPN-GFCCVEGCSA-N 0 1 388.453 1.460 20 0 GDADMN Cc1ccoc1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571290201 946032006 /nfs/dbraw/zinc/03/20/06/946032006.db2.gz XNWBMOCOBAXLPN-GFCCVEGCSA-N 0 1 388.453 1.460 20 0 GDADMN O=C(Cc1cncs1)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571294189 946128166 /nfs/dbraw/zinc/12/81/66/946128166.db2.gz CKZOAXTZKQCPGP-UHFFFAOYSA-N 0 1 389.510 1.708 20 0 GDADMN O=C(Cc1cncs1)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571294189 946128172 /nfs/dbraw/zinc/12/81/72/946128172.db2.gz CKZOAXTZKQCPGP-UHFFFAOYSA-N 0 1 389.510 1.708 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCc2cccnc21 ZINC001571294945 946150021 /nfs/dbraw/zinc/15/00/21/946150021.db2.gz MRVMSEATZXWSCB-MSOLQXFVSA-N 0 1 389.463 1.682 20 0 GDADMN CN(C(=O)[C@H]1CC1(F)F)[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571294976 946150282 /nfs/dbraw/zinc/15/02/82/946150282.db2.gz RJUMSJMNELGPHN-NKWVEPMBSA-N 0 1 389.819 1.669 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001571298549 946221661 /nfs/dbraw/zinc/22/16/61/946221661.db2.gz ASYHXGATLNYHHX-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001571298549 946221674 /nfs/dbraw/zinc/22/16/74/946221674.db2.gz ASYHXGATLNYHHX-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001571299104 946241528 /nfs/dbraw/zinc/24/15/28/946241528.db2.gz IPTSNAJATWYUQD-NFAWXSAZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001571299104 946241537 /nfs/dbraw/zinc/24/15/37/946241537.db2.gz IPTSNAJATWYUQD-NFAWXSAZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001571299104 946241544 /nfs/dbraw/zinc/24/15/44/946241544.db2.gz IPTSNAJATWYUQD-NFAWXSAZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001571299104 946241558 /nfs/dbraw/zinc/24/15/58/946241558.db2.gz IPTSNAJATWYUQD-NFAWXSAZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001571299104 946241570 /nfs/dbraw/zinc/24/15/70/946241570.db2.gz IPTSNAJATWYUQD-NFAWXSAZSA-N 0 1 390.513 1.681 20 0 GDADMN O=C([C@H]1CCCO1)N1CCCCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299363 946247714 /nfs/dbraw/zinc/24/77/14/946247714.db2.gz LRCLWKMIQVGCFO-DZGCQCFKSA-N 0 1 390.513 1.968 20 0 GDADMN O=C([C@H]1CCCO1)N1CCCCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299363 946247724 /nfs/dbraw/zinc/24/77/24/946247724.db2.gz LRCLWKMIQVGCFO-DZGCQCFKSA-N 0 1 390.513 1.968 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCCCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299364 946249588 /nfs/dbraw/zinc/24/95/88/946249588.db2.gz LRCLWKMIQVGCFO-HIFRSBDPSA-N 0 1 390.513 1.968 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCCCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299364 946249602 /nfs/dbraw/zinc/24/96/02/946249602.db2.gz LRCLWKMIQVGCFO-HIFRSBDPSA-N 0 1 390.513 1.968 20 0 GDADMN CN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571299501 946252426 /nfs/dbraw/zinc/25/24/26/946252426.db2.gz SQNNNKQAKYBXMP-MRXNPFEDSA-N 0 1 390.451 1.885 20 0 GDADMN C[C@H]1CN(C(=O)C2=COCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571299459 946252531 /nfs/dbraw/zinc/25/25/31/946252531.db2.gz WKEULQLZADMWLL-WCQYABFASA-N 0 1 390.469 1.143 20 0 GDADMN C[C@H]1CN(C(=O)C2=COCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571299459 946252540 /nfs/dbraw/zinc/25/25/40/946252540.db2.gz WKEULQLZADMWLL-WCQYABFASA-N 0 1 390.469 1.143 20 0 GDADMN Cc1nsc(N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1-c1nn[nH]n1 ZINC001571299645 946257601 /nfs/dbraw/zinc/25/76/01/946257601.db2.gz OCUXPIHMBOSLMO-QWHCGFSZSA-N 0 1 390.517 1.517 20 0 GDADMN Cc1nsc(N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571299645 946257616 /nfs/dbraw/zinc/25/76/16/946257616.db2.gz OCUXPIHMBOSLMO-QWHCGFSZSA-N 0 1 390.517 1.517 20 0 GDADMN Cc1nsc(N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571299645 946257627 /nfs/dbraw/zinc/25/76/27/946257627.db2.gz OCUXPIHMBOSLMO-QWHCGFSZSA-N 0 1 390.517 1.517 20 0 GDADMN Cc1ccccc1C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571300119 946272789 /nfs/dbraw/zinc/27/27/89/946272789.db2.gz ZNRJECGXNIVCTL-OAHLLOKOSA-N 0 1 390.451 1.754 20 0 GDADMN Cc1nsc(N(C)C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1-c1nn[n-]n1 ZINC001571300282 946278033 /nfs/dbraw/zinc/27/80/33/946278033.db2.gz YTVUZZGXGKWBKN-CHWSQXEVSA-N 0 1 390.517 1.153 20 0 GDADMN Cc1nsc(N(C)C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1-c1nn[n-]n1 ZINC001571300282 946278045 /nfs/dbraw/zinc/27/80/45/946278045.db2.gz YTVUZZGXGKWBKN-CHWSQXEVSA-N 0 1 390.517 1.153 20 0 GDADMN O=C(Cc1ccc(Cl)s1)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571300257 946278966 /nfs/dbraw/zinc/27/89/66/946278966.db2.gz XWXXFHKPPFNYTM-VIFPVBQESA-N 0 1 390.860 1.309 20 0 GDADMN O=C(N[C@@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cncnc1 ZINC001571306035 946385685 /nfs/dbraw/zinc/38/56/85/946385685.db2.gz OFTURGPJZLXGNY-SECBINFHSA-N 0 1 391.848 1.165 20 0 GDADMN CN(C(=O)c1ccncn1)[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571306372 946397278 /nfs/dbraw/zinc/39/72/78/946397278.db2.gz ULBAZAAVOTYQMJ-QMMMGPOBSA-N 0 1 391.848 1.118 20 0 GDADMN O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCC(F)(F)C1 ZINC001571310175 946463547 /nfs/dbraw/zinc/46/35/47/946463547.db2.gz XRGOAEGENGCTEP-NWDGAFQWSA-N 0 1 392.414 1.567 20 0 GDADMN O[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1cc(Cl)c2c(c1)OCCO2 ZINC000823689147 946467809 /nfs/dbraw/zinc/46/78/09/946467809.db2.gz BOGPQBPDXWBDIM-LBPRGKRZSA-N 0 1 377.788 1.708 20 0 GDADMN CC(=O)NC[C@H]1CCCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823994889 946534569 /nfs/dbraw/zinc/53/45/69/946534569.db2.gz RIAJHEYDWYOCMT-CRAIPNDOSA-N 0 1 397.483 1.210 20 0 GDADMN Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)Cc2cccnc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314779 946545336 /nfs/dbraw/zinc/54/53/36/946545336.db2.gz CRJRPABLBRKSJV-NVXWUHKLSA-N 0 1 392.467 1.327 20 0 GDADMN Cc1ccc(CC(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571314984 946546608 /nfs/dbraw/zinc/54/66/08/946546608.db2.gz FZSHMVZJEWJMCX-INIZCTEOSA-N 0 1 392.467 1.280 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)Cc3ccncc3C)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315423 946552552 /nfs/dbraw/zinc/55/25/52/946552552.db2.gz KHFBIIPKPXYBAU-FZKQIMNGSA-N 0 1 392.467 1.197 20 0 GDADMN Cc1cnc(C(=O)N[C@@H]2CC[C@H](C)N(Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571316784 946586188 /nfs/dbraw/zinc/58/61/88/946586188.db2.gz MQEBRMLIJRERKP-WMLDXEAASA-N 0 1 392.467 1.748 20 0 GDADMN Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(-c3nn[nH]n3)cc2)n1C ZINC001571316819 946589598 /nfs/dbraw/zinc/58/95/98/946589598.db2.gz NNJYOTLFRJIMPV-CALCHBBNSA-N 0 1 392.467 1.398 20 0 GDADMN Cc1nnccc1C(=O)NC[C@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571317176 946601960 /nfs/dbraw/zinc/60/19/60/946601960.db2.gz XJEANAXALRMHQX-QGZVFWFLSA-N 0 1 392.467 1.750 20 0 GDADMN CC(C)(O)CN(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000824173004 946609884 /nfs/dbraw/zinc/60/98/84/946609884.db2.gz USRUXEYOZDLQNF-UHFFFAOYSA-N 0 1 394.479 1.756 20 0 GDADMN C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824412575 946692454 /nfs/dbraw/zinc/69/24/54/946692454.db2.gz BEWOXFZRHUCWGK-AWEZNQCLSA-N 0 1 386.481 1.666 20 0 GDADMN CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC[C@@H]1c1cccc(F)c1 ZINC001573537604 946752391 /nfs/dbraw/zinc/75/23/91/946752391.db2.gz GKCKUXHTUABCLU-HUUCEWRRSA-N 0 1 382.403 1.294 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824868937 946964170 /nfs/dbraw/zinc/96/41/70/946964170.db2.gz XSPOXVZDTQRJJL-YJBOKZPZSA-N 0 1 384.484 1.716 20 0 GDADMN CC[C@H](NCc1cccc(-c2nn[nH]n2)c1F)c1cccc(S(N)(=O)=O)c1 ZINC000825149478 947102070 /nfs/dbraw/zinc/10/20/70/947102070.db2.gz YROKQMZVGNXIQU-HNNXBMFYSA-N 0 1 390.444 1.894 20 0 GDADMN C[C@H](C(=O)N(CCO)CCNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573606886 947535095 /nfs/dbraw/zinc/53/50/95/947535095.db2.gz ABFBQUUNVVDWET-QMMMGPOBSA-N 0 1 385.881 1.256 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573615699 947608487 /nfs/dbraw/zinc/60/84/87/947608487.db2.gz JUUIBBBCZZSPGY-KGLIPLIRSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573615890 947613431 /nfs/dbraw/zinc/61/34/31/947613431.db2.gz UEZKYUDLGUHZKX-JCGIZDLHSA-N 0 1 392.467 1.500 20 0 GDADMN C=Cc1ccc(C(=O)N(C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC001573352116 947625348 /nfs/dbraw/zinc/62/53/48/947625348.db2.gz VMQNZMMYEIWDJW-INIZCTEOSA-N 0 1 390.451 1.684 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)cc1 ZINC001573354597 947633897 /nfs/dbraw/zinc/63/38/97/947633897.db2.gz FFDMZKFHMRHPNZ-JKSUJKDBSA-N 0 1 388.435 1.651 20 0 GDADMN C[C@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573619665 947670518 /nfs/dbraw/zinc/67/05/18/947670518.db2.gz XBQPUNMNAKWPJQ-GUYCJALGSA-N 0 1 385.472 1.504 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](CCO)c2cccs2)cc1-c1nn[nH]n1 ZINC000826229571 947672456 /nfs/dbraw/zinc/67/24/56/947672456.db2.gz JFPMFCLBYDGFBY-SNVBAGLBSA-N 0 1 392.466 1.604 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cnn(C)c1 ZINC001573625981 947703250 /nfs/dbraw/zinc/70/32/50/947703250.db2.gz RBNOIQHDWWSREI-YPMHNXCESA-N 0 1 386.485 1.156 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001573625981 947703257 /nfs/dbraw/zinc/70/32/57/947703257.db2.gz RBNOIQHDWWSREI-YPMHNXCESA-N 0 1 386.485 1.156 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573628495 947757408 /nfs/dbraw/zinc/75/74/08/947757408.db2.gz MDMXMBBMTNGJHK-GJZGRUSLSA-N 0 1 380.456 1.752 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573628497 947757857 /nfs/dbraw/zinc/75/78/57/947757857.db2.gz MDMXMBBMTNGJHK-LSDHHAIUSA-N 0 1 380.456 1.752 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573629246 947774980 /nfs/dbraw/zinc/77/49/80/947774980.db2.gz MUZHFEVQJCNGBB-UONOGXRCSA-N 0 1 381.440 1.731 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001573637830 947826130 /nfs/dbraw/zinc/82/61/30/947826130.db2.gz RPUBIIWSAYUTRL-YJBOKZPZSA-N 0 1 384.484 1.716 20 0 GDADMN C[C@H](C(=O)N1CCO[C@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573644144 947870160 /nfs/dbraw/zinc/87/01/60/947870160.db2.gz ZCEDEECTJNSTNZ-BLLLJJGKSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573656366 947988337 /nfs/dbraw/zinc/98/83/37/947988337.db2.gz FJFFKIJLWBPYLY-ZDUSSCGKSA-N 0 1 381.444 1.195 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347320 948053189 /nfs/dbraw/zinc/05/31/89/948053189.db2.gz MUKBYLBFRGKNDS-MRXNPFEDSA-N 0 1 395.467 1.877 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347320 948053198 /nfs/dbraw/zinc/05/31/98/948053198.db2.gz MUKBYLBFRGKNDS-MRXNPFEDSA-N 0 1 395.467 1.877 20 0 GDADMN C[C@H](C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573664345 948053471 /nfs/dbraw/zinc/05/34/71/948053471.db2.gz TZLHXXUOBOOPTG-OPFPJEHXSA-N 0 1 378.440 1.189 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573667325 948097454 /nfs/dbraw/zinc/09/74/54/948097454.db2.gz YYPDCXAJPANEPH-MNOVXSKESA-N 0 1 383.378 1.935 20 0 GDADMN Cn1cc(CN2CCN([C@@H]3CCOC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361174 948129185 /nfs/dbraw/zinc/12/91/85/948129185.db2.gz OCRSMOFGMHCGFB-GOSISDBHSA-N 0 1 394.483 1.174 20 0 GDADMN C[C@H](C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573677465 948137349 /nfs/dbraw/zinc/13/73/49/948137349.db2.gz AUXNVBXSQJWOJK-YVEFUNNKSA-N 0 1 378.440 1.189 20 0 GDADMN C[C@H](C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573677463 948137792 /nfs/dbraw/zinc/13/77/92/948137792.db2.gz AUXNVBXSQJWOJK-SJCJKPOMSA-N 0 1 378.440 1.189 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573681894 948216445 /nfs/dbraw/zinc/21/64/45/948216445.db2.gz YOHYPPPGKPIFRX-DOMZBBRYSA-N 0 1 390.463 1.399 20 0 GDADMN C[C@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573704530 948376337 /nfs/dbraw/zinc/37/63/37/948376337.db2.gz BOXFPSYHYNMPBE-SNVBAGLBSA-N 0 1 383.378 1.793 20 0 GDADMN O=C1[C@H](N2CCC3(CC2)OCCO3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476622 948382864 /nfs/dbraw/zinc/38/28/64/948382864.db2.gz LFNYTWLFLKTLCB-MRXNPFEDSA-N 0 1 384.440 1.201 20 0 GDADMN O[C@H](COc1ccc(Oc2ccccc2)cc1)Cn1cnc(-c2nn[nH]n2)n1 ZINC000826505379 948423096 /nfs/dbraw/zinc/42/30/96/948423096.db2.gz UJZNIYJZZOAVHG-ZDUSSCGKSA-N 0 1 379.380 1.690 20 0 GDADMN CC(C)[C@@H](CCNC(=O)[C@@H](C)c1ccco1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573716941 948502935 /nfs/dbraw/zinc/50/29/35/948502935.db2.gz KNGSNKIRRQJSFC-QWHCGFSZSA-N 0 1 384.444 1.418 20 0 GDADMN C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573717982 948514687 /nfs/dbraw/zinc/51/46/87/948514687.db2.gz GFOKUXSOEVEXIB-LLVKDONJSA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573727328 948553848 /nfs/dbraw/zinc/55/38/48/948553848.db2.gz MDAVOHMDYYXIQO-RWMBFGLXSA-N 0 1 382.428 1.172 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21 ZINC001574078961 948760454 /nfs/dbraw/zinc/76/04/54/948760454.db2.gz GXATVFOPSOVGQW-UYXSQOIJSA-N 0 1 385.856 1.522 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575223301 948764901 /nfs/dbraw/zinc/76/49/01/948764901.db2.gz NKLWARYSGXODPO-NEPJUHHUSA-N 0 1 391.426 1.958 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574080028 948783271 /nfs/dbraw/zinc/78/32/71/948783271.db2.gz NMNZNAAVUJUNEK-CLWVCHIJSA-N 0 1 376.411 1.546 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1C ZINC001574080148 948786273 /nfs/dbraw/zinc/78/62/73/948786273.db2.gz IGTQKGJVMRDPEA-HFBAOOFYSA-N 0 1 378.427 1.936 20 0 GDADMN CC(C)c1ccccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420007 948792677 /nfs/dbraw/zinc/79/26/77/948792677.db2.gz OQEREIVKRQGPMC-CYBMUJFWSA-N 0 1 378.440 1.529 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001574081223 948824956 /nfs/dbraw/zinc/82/49/56/948824956.db2.gz YQHJJTAXOAPLIN-QXSJWSMHSA-N 0 1 376.411 1.546 20 0 GDADMN CC(C)c1ccsc1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574424789 948864380 /nfs/dbraw/zinc/86/43/80/948864380.db2.gz VQKWEISHQUBUIM-UHFFFAOYSA-N 0 1 384.469 1.804 20 0 GDADMN CC(F)(F)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001575233492 948889325 /nfs/dbraw/zinc/88/93/25/948889325.db2.gz JMBKBHZJUHDSLD-UHFFFAOYSA-N 0 1 380.403 1.355 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573764946 948893802 /nfs/dbraw/zinc/89/38/02/948893802.db2.gz SCTNXWMYSJKSRJ-MNOVXSKESA-N 0 1 392.414 1.518 20 0 GDADMN CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001574088329 948918007 /nfs/dbraw/zinc/91/80/07/948918007.db2.gz AWTZSRRHZQKUKF-WBOJAVRRSA-N 0 1 385.472 1.194 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573765768 948923890 /nfs/dbraw/zinc/92/38/90/948923890.db2.gz FGZULFHDLIHHGP-YJYMSZOUSA-N 0 1 382.472 1.378 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C(F)F ZINC001573765837 948926630 /nfs/dbraw/zinc/92/66/30/948926630.db2.gz MGLWTZQXKNPVJT-MNOVXSKESA-N 0 1 392.414 1.233 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573771895 948948984 /nfs/dbraw/zinc/94/89/84/948948984.db2.gz NSPJFVXGAUSIBB-OAHLLOKOSA-N 0 1 392.467 1.720 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433164 948951139 /nfs/dbraw/zinc/95/11/39/948951139.db2.gz JSDWEEJHZBZLMC-AOOOYVTPSA-N 0 1 385.457 1.031 20 0 GDADMN CC(C)(C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(F)F ZINC001573772565 948961539 /nfs/dbraw/zinc/96/15/39/948961539.db2.gz UZTXZVPMCMMYDI-JTQLQIEISA-N 0 1 392.414 1.423 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573772604 948965027 /nfs/dbraw/zinc/96/50/27/948965027.db2.gz VWMSEZJQPWOEMT-ZJUUUORDSA-N 0 1 380.403 1.209 20 0 GDADMN C[C@@H](CNC(=O)C[NH+]1CCCC1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926495 949002557 /nfs/dbraw/zinc/00/25/57/949002557.db2.gz SGEWNWJKASXTIY-VIFPVBQESA-N 0 1 384.897 1.237 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574091392 949014604 /nfs/dbraw/zinc/01/46/04/949014604.db2.gz KWLMXINYZJMGKV-KGLIPLIRSA-N 0 1 385.472 1.053 20 0 GDADMN C[C@H](c1ccc(F)c(F)c1)N(C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575503124 949039162 /nfs/dbraw/zinc/03/91/62/949039162.db2.gz JHWQMSZTTXJKAC-SNVBAGLBSA-N 0 1 375.383 1.896 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573779857 949070507 /nfs/dbraw/zinc/07/05/07/949070507.db2.gz NZXCLEISPUCOFK-VIFPVBQESA-N 0 1 384.366 1.188 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCC1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574929532 949098268 /nfs/dbraw/zinc/09/82/68/949098268.db2.gz GDQCZKHWZKNMCX-ZDUSSCGKSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250938 949123230 /nfs/dbraw/zinc/12/32/30/949123230.db2.gz JFLWKUYTLXMTDX-STQMWFEESA-N 0 1 387.492 1.226 20 0 GDADMN C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250938 949123238 /nfs/dbraw/zinc/12/32/38/949123238.db2.gz JFLWKUYTLXMTDX-STQMWFEESA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575252696 949169803 /nfs/dbraw/zinc/16/98/03/949169803.db2.gz GWWQQYMKPQPLLC-CHWSQXEVSA-N 0 1 387.463 1.939 20 0 GDADMN C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575252849 949174346 /nfs/dbraw/zinc/17/43/46/949174346.db2.gz IABZOTSNEUFVOM-CHWSQXEVSA-N 0 1 388.451 1.518 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574448343 949186539 /nfs/dbraw/zinc/18/65/39/949186539.db2.gz JCBOSHOVKVMGAN-NSHDSACASA-N 0 1 383.416 1.167 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC(C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575515402 949189816 /nfs/dbraw/zinc/18/98/16/949189816.db2.gz IKBKHHKDTWXJEU-LBPRGKRZSA-N 0 1 381.444 1.330 20 0 GDADMN C[C@H](NC(=O)[C@H](C)n1cccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254362 949201108 /nfs/dbraw/zinc/20/11/08/949201108.db2.gz VSSULFJEMJMOHJ-KBPBESRZSA-N 0 1 380.456 1.261 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574936618 949212956 /nfs/dbraw/zinc/21/29/56/949212956.db2.gz JQURPKFWTJDOMF-SECBINFHSA-N 0 1 392.876 1.555 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)C1 ZINC001589604817 949234116 /nfs/dbraw/zinc/23/41/16/949234116.db2.gz HWSKKWKXJUFZRQ-HXUWFJFHSA-N 0 1 375.469 1.969 20 0 GDADMN CC(C)(C)C(=O)N1CCC2(CC1)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573792511 949248445 /nfs/dbraw/zinc/24/84/45/949248445.db2.gz QEXAWHGQUBKNQG-UHFFFAOYSA-N 0 1 384.488 1.912 20 0 GDADMN CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573792766 949264043 /nfs/dbraw/zinc/26/40/43/949264043.db2.gz VAADLSPIXOINHF-XUXIUFHCSA-N 0 1 382.472 1.376 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574940640 949272997 /nfs/dbraw/zinc/27/29/97/949272997.db2.gz HZUAPPFETCTJGT-SECBINFHSA-N 0 1 390.810 1.030 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574702768 949293345 /nfs/dbraw/zinc/29/33/45/949293345.db2.gz LOIWDKYMOGKTSU-SJCJKPOMSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574702768 949293365 /nfs/dbraw/zinc/29/33/65/949293365.db2.gz LOIWDKYMOGKTSU-SJCJKPOMSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)CC(=O)N1CCO[C@H]([C@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109732 949326077 /nfs/dbraw/zinc/32/60/77/949326077.db2.gz BNNOSHDWMDJBCU-GUYCJALGSA-N 0 1 390.463 1.757 20 0 GDADMN CC(C)n1ccc(CNC[C@@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574460150 949370795 /nfs/dbraw/zinc/37/07/95/949370795.db2.gz QJCIZQHJSFDQET-HNNXBMFYSA-N 0 1 383.460 1.367 20 0 GDADMN CC(C)n1ccc(CNC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574460225 949373367 /nfs/dbraw/zinc/37/33/67/949373367.db2.gz SQPSFRCDLHYGRU-HNNXBMFYSA-N 0 1 383.460 1.367 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575262458 949373685 /nfs/dbraw/zinc/37/36/85/949373685.db2.gz APQGPFYOJLMNGR-LLVKDONJSA-N 0 1 376.436 1.103 20 0 GDADMN C[C@H](CNC(=O)Cc1cncs1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574945553 949414639 /nfs/dbraw/zinc/41/46/39/949414639.db2.gz MFFNLHPFHXEIHI-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN CC(C)n1cccc1C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465128 949427582 /nfs/dbraw/zinc/42/75/82/949427582.db2.gz PCSPXBKJWMCSMS-UHFFFAOYSA-N 0 1 381.444 1.082 20 0 GDADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001589622914 949438780 /nfs/dbraw/zinc/43/87/80/949438780.db2.gz NTYMOXUYHDBQII-JKSUJKDBSA-N 0 1 396.532 1.652 20 0 GDADMN C[C@@H]1CCC[C@H](OCC(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001576156494 949444732 /nfs/dbraw/zinc/44/47/32/949444732.db2.gz YUAICPIWOYRCTE-KGLIPLIRSA-N 0 1 385.472 1.340 20 0 GDADMN CC(C)(C)C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001573803893 949455857 /nfs/dbraw/zinc/45/58/57/949455857.db2.gz WKTXPSTWTPHEFT-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266023 949468553 /nfs/dbraw/zinc/46/85/53/949468553.db2.gz WTTRRHLPEJOXJJ-CHWSQXEVSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266023 949468571 /nfs/dbraw/zinc/46/85/71/949468571.db2.gz WTTRRHLPEJOXJJ-CHWSQXEVSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575266023 949468592 /nfs/dbraw/zinc/46/85/92/949468592.db2.gz WTTRRHLPEJOXJJ-CHWSQXEVSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575266023 949468617 /nfs/dbraw/zinc/46/86/17/949468617.db2.gz WTTRRHLPEJOXJJ-CHWSQXEVSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@]1(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575536393 949471999 /nfs/dbraw/zinc/47/19/99/949471999.db2.gz IBPFFVDDXJBUJY-BTYIYWSLSA-N 0 1 389.463 1.601 20 0 GDADMN C[C@H](NC(=O)CC(F)(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575266813 949490886 /nfs/dbraw/zinc/49/08/86/949490886.db2.gz FEHRCSPEKLKLSF-VIFPVBQESA-N 0 1 386.353 1.895 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575870609 949491360 /nfs/dbraw/zinc/49/13/60/949491360.db2.gz VVBYHINPJHVOHA-GHMZBOCLSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574470578 949506684 /nfs/dbraw/zinc/50/66/84/949506684.db2.gz FUNNOMKQLHRLSM-KGLIPLIRSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001576164279 949555470 /nfs/dbraw/zinc/55/54/70/949555470.db2.gz GOQHPTVSYYAUGC-VMUDFCTBSA-N 0 1 385.472 1.338 20 0 GDADMN CC1(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575540106 949563634 /nfs/dbraw/zinc/56/36/34/949563634.db2.gz UVYUIZWRUPUROV-LLVKDONJSA-N 0 1 377.399 1.522 20 0 GDADMN C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001576165312 949565840 /nfs/dbraw/zinc/56/58/40/949565840.db2.gz JIWWJKLUKWQIMD-XJKSGUPXSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574475809 949579641 /nfs/dbraw/zinc/57/96/41/949579641.db2.gz BZFUCSHETCLANL-MLGOLLRUSA-N 0 1 390.463 1.351 20 0 GDADMN CC1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC(F)(F)C1 ZINC001575544510 949585902 /nfs/dbraw/zinc/58/59/02/949585902.db2.gz DTFYLZNRILRIIJ-NSHDSACASA-N 0 1 392.414 1.307 20 0 GDADMN C[C@@H](NC(=O)C[C@@H]1CCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575270450 949593530 /nfs/dbraw/zinc/59/35/30/949593530.db2.gz ZTHXXRGELIBCAL-YPMHNXCESA-N 0 1 376.486 1.434 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCO1 ZINC001573811722 949603042 /nfs/dbraw/zinc/60/30/42/949603042.db2.gz NCICTOBVFOQXHP-JSGCOSHPSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCO1 ZINC001573811722 949603054 /nfs/dbraw/zinc/60/30/54/949603054.db2.gz NCICTOBVFOQXHP-JSGCOSHPSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001576167237 949606008 /nfs/dbraw/zinc/60/60/08/949606008.db2.gz BGIVOEVCNQRSBR-LSDHHAIUSA-N 0 1 387.488 1.133 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccnnc1 ZINC001573812585 949618186 /nfs/dbraw/zinc/61/81/86/949618186.db2.gz SLBUHZZGCDMQOO-CQSZACIVSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccnnc1 ZINC001573812585 949618209 /nfs/dbraw/zinc/61/82/09/949618209.db2.gz SLBUHZZGCDMQOO-CQSZACIVSA-N 0 1 386.485 1.653 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)CC(F)(F)C1 ZINC001575547300 949627014 /nfs/dbraw/zinc/62/70/14/949627014.db2.gz WXXUNBDVKHZSMB-LLVKDONJSA-N 0 1 377.399 1.522 20 0 GDADMN C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575273568 949663299 /nfs/dbraw/zinc/66/32/99/949663299.db2.gz WQSLRWINBQMPNE-KGLIPLIRSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575273568 949663308 /nfs/dbraw/zinc/66/33/08/949663308.db2.gz WQSLRWINBQMPNE-KGLIPLIRSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](NC(=O)CCc1ncccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575275017 949691661 /nfs/dbraw/zinc/69/16/61/949691661.db2.gz BPPZBQAOZOZUOX-AWEZNQCLSA-N 0 1 392.467 1.226 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574960321 949724944 /nfs/dbraw/zinc/72/49/44/949724944.db2.gz WJEABLVHELDQOM-CWRNSKLLSA-N 0 1 377.452 1.652 20 0 GDADMN C[C@@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001574478841 949725105 /nfs/dbraw/zinc/72/51/05/949725105.db2.gz BJIGVWAGJCSJJM-GUYCJALGSA-N 0 1 385.472 1.292 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001574479301 949735102 /nfs/dbraw/zinc/73/51/02/949735102.db2.gz DMXPCGFMHGOMGQ-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171192 949750694 /nfs/dbraw/zinc/75/06/94/949750694.db2.gz PJPYHKSEDMEHLF-DZGCQCFKSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171192 949750707 /nfs/dbraw/zinc/75/07/07/949750707.db2.gz PJPYHKSEDMEHLF-DZGCQCFKSA-N 0 1 387.492 1.038 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576171268 949755750 /nfs/dbraw/zinc/75/57/50/949755750.db2.gz PXWXLDZQOZRFKH-YOEHRIQHSA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576171268 949755762 /nfs/dbraw/zinc/75/57/62/949755762.db2.gz PXWXLDZQOZRFKH-YOEHRIQHSA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171473 949765794 /nfs/dbraw/zinc/76/57/94/949765794.db2.gz QZICDDHHQOXYOU-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171473 949765802 /nfs/dbraw/zinc/76/58/02/949765802.db2.gz QZICDDHHQOXYOU-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171473 949765818 /nfs/dbraw/zinc/76/58/18/949765818.db2.gz QZICDDHHQOXYOU-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171473 949765827 /nfs/dbraw/zinc/76/58/27/949765827.db2.gz QZICDDHHQOXYOU-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN CC1(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)CC=CC1 ZINC001575559989 949771962 /nfs/dbraw/zinc/77/19/62/949771962.db2.gz HQLLOGVRBQZCJD-CYBMUJFWSA-N 0 1 380.456 1.488 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172294 949799927 /nfs/dbraw/zinc/79/99/27/949799927.db2.gz WCCDZBHELSTOFI-ZIAGYGMSSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172294 949799943 /nfs/dbraw/zinc/79/99/43/949799943.db2.gz WCCDZBHELSTOFI-ZIAGYGMSSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172294 949799959 /nfs/dbraw/zinc/79/99/59/949799959.db2.gz WCCDZBHELSTOFI-ZIAGYGMSSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172294 949799968 /nfs/dbraw/zinc/79/99/68/949799968.db2.gz WCCDZBHELSTOFI-ZIAGYGMSSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574965881 949821624 /nfs/dbraw/zinc/82/16/24/949821624.db2.gz NYOODVVVZNGUIS-ZLENFMNRSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574965881 949821648 /nfs/dbraw/zinc/82/16/48/949821648.db2.gz NYOODVVVZNGUIS-ZLENFMNRSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574721714 949822486 /nfs/dbraw/zinc/82/24/86/949822486.db2.gz NBPGPEDJPDDICQ-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574721714 949822504 /nfs/dbraw/zinc/82/25/04/949822504.db2.gz NBPGPEDJPDDICQ-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574965990 949826659 /nfs/dbraw/zinc/82/66/59/949826659.db2.gz RCDFRYULCCULET-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576172973 949831296 /nfs/dbraw/zinc/83/12/96/949831296.db2.gz VYVXCRULLRBNST-WCVJEAGWSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574484299 949877413 /nfs/dbraw/zinc/87/74/13/949877413.db2.gz YNOSMZWYAXVPMG-IPYPFGDCSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574725325 949899846 /nfs/dbraw/zinc/89/98/46/949899846.db2.gz RVHIOUYHUXOTFP-VIFPVBQESA-N 0 1 386.913 1.576 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574725325 949899911 /nfs/dbraw/zinc/89/99/11/949899911.db2.gz RVHIOUYHUXOTFP-VIFPVBQESA-N 0 1 386.913 1.576 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574725325 949899935 /nfs/dbraw/zinc/89/99/35/949899935.db2.gz RVHIOUYHUXOTFP-VIFPVBQESA-N 0 1 386.913 1.576 20 0 GDADMN C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574725635 949903160 /nfs/dbraw/zinc/90/31/60/949903160.db2.gz UNNZXPIVFPHKGU-VIFPVBQESA-N 0 1 384.897 1.331 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575569076 949907771 /nfs/dbraw/zinc/90/77/71/949907771.db2.gz FQCGZVMXQIQDRC-SJKOYZFVSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H](CN(C)C(=O)COC(C)(C)C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574726174 949923712 /nfs/dbraw/zinc/92/37/12/949923712.db2.gz GINYBYNHVYNIAQ-GFCCVEGCSA-N 0 1 378.452 1.757 20 0 GDADMN CC1(C(=O)NC[C@@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)CCCCC1 ZINC001575571960 949964427 /nfs/dbraw/zinc/96/44/27/949964427.db2.gz BRDWDOFNDKGCOR-AWEZNQCLSA-N 0 1 390.463 1.543 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)c1ccco1 ZINC001574489731 949970865 /nfs/dbraw/zinc/97/08/65/949970865.db2.gz LOBUAWPYZHKPPG-RBSFLKMASA-N 0 1 395.467 1.977 20 0 GDADMN C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1c2ccccc2sc1-c1nnn[n-]1 ZINC001576181652 950010836 /nfs/dbraw/zinc/01/08/36/950010836.db2.gz VTNIPJMQKPJFIW-NSHDSACASA-N 0 1 392.510 1.844 20 0 GDADMN C[C@H]1CCCc2ncc(C(=O)NCCN(C)c3ccncc3-c3nn[nH]n3)n21 ZINC001576182279 950043534 /nfs/dbraw/zinc/04/35/34/950043534.db2.gz ZAOLCWOWKSVNLC-LBPRGKRZSA-N 0 1 381.444 1.222 20 0 GDADMN C[C@@]1(C(=O)NCC2(NCc3cc(-c4nn[nH]n4)ccc3F)CC2)CCCOC1 ZINC001575575399 950052191 /nfs/dbraw/zinc/05/21/91/950052191.db2.gz IRTGVIZDLNZGFL-GOSISDBHSA-N 0 1 388.447 1.561 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(F)cn1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574151632 950087505 /nfs/dbraw/zinc/08/75/05/950087505.db2.gz WQLYZSKILCQXSO-AWEZNQCLSA-N 0 1 386.435 1.663 20 0 GDADMN C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574493507 950133868 /nfs/dbraw/zinc/13/38/68/950133868.db2.gz SXBIRLVFINBKJL-ACJLOTCBSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@H]1CCN(C(=O)CCC2CCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184944 950145678 /nfs/dbraw/zinc/14/56/78/950145678.db2.gz YVYBOWVYZWFCPM-DZGCQCFKSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2csnn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575900073 950190156 /nfs/dbraw/zinc/19/01/56/950190156.db2.gz BRKBYMHTQSZVBP-RISCZKNCSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575900931 950211354 /nfs/dbraw/zinc/21/13/54/950211354.db2.gz JSSKIJDJNZFSQA-KOLCDFICSA-N 0 1 388.432 1.645 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191809 950213500 /nfs/dbraw/zinc/21/35/00/950213500.db2.gz ILSRDKSQBACAKD-UKRRQHHQSA-N 0 1 378.440 1.289 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCC12CC2 ZINC001574156109 950222454 /nfs/dbraw/zinc/22/24/54/950222454.db2.gz WXLYHQUKULXRAN-KGLIPLIRSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575588795 950257277 /nfs/dbraw/zinc/25/72/77/950257277.db2.gz SPFROIWKKZNZJW-LIRRHRJNSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575588795 950257287 /nfs/dbraw/zinc/25/72/87/950257287.db2.gz SPFROIWKKZNZJW-LIRRHRJNSA-N 0 1 388.447 1.371 20 0 GDADMN CC1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575592076 950276189 /nfs/dbraw/zinc/27/61/89/950276189.db2.gz BXRDYCPKEUVXFM-AWEZNQCLSA-N 0 1 384.488 1.960 20 0 GDADMN CC(C)C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCCN1C ZINC001574159401 950307065 /nfs/dbraw/zinc/30/70/65/950307065.db2.gz HCCDMUTYELGFDS-DZGCQCFKSA-N 0 1 390.467 1.438 20 0 GDADMN CC(C)(C)OC(=O)N1CC(C(=O)Nc2nc3cc(-c4nn[nH]n4)ccc3[nH]2)C1 ZINC001573853176 950318650 /nfs/dbraw/zinc/31/86/50/950318650.db2.gz MWLNTORCSUFPPG-UHFFFAOYSA-N 0 1 384.400 1.548 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574159917 950326649 /nfs/dbraw/zinc/32/66/49/950326649.db2.gz ZTIMWPKNUQDQOY-CYBMUJFWSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574503970 950423441 /nfs/dbraw/zinc/42/34/41/950423441.db2.gz ZBCYGGKSLBANNL-KGLIPLIRSA-N 0 1 381.444 1.052 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001574165560 950451240 /nfs/dbraw/zinc/45/12/40/950451240.db2.gz HSOIVVOJMBXMRH-CYBMUJFWSA-N 0 1 392.529 1.711 20 0 GDADMN C[C@@H]1CCN(CC(=O)N[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C(C)(C)C)C1 ZINC001576204539 950462227 /nfs/dbraw/zinc/46/22/27/950462227.db2.gz PYJFRFLNKKZSAI-UKRRQHHQSA-N 0 1 386.504 1.546 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575605728 950476617 /nfs/dbraw/zinc/47/66/17/950476617.db2.gz QFWHJZFFEMAERD-TXEJJXNPSA-N 0 1 376.486 1.482 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575605728 950476634 /nfs/dbraw/zinc/47/66/34/950476634.db2.gz QFWHJZFFEMAERD-TXEJJXNPSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@@H](C[C@H](C)Nc1nccnc1-c1nn[n-]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204782 950479744 /nfs/dbraw/zinc/47/97/44/950479744.db2.gz RJZWEIXUHPPKPP-KBPBESRZSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@@H](CC(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001574508682 950483054 /nfs/dbraw/zinc/48/30/54/950483054.db2.gz MBPYQXUIWUCQFD-ZDUSSCGKSA-N 0 1 386.435 1.402 20 0 GDADMN C[C@H](C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205466 950520269 /nfs/dbraw/zinc/52/02/69/950520269.db2.gz YVPWVZOCGFVYAP-ZIAGYGMSSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccncc2-c2nn[nH]n2)CC1(C)C ZINC001573868623 950545770 /nfs/dbraw/zinc/54/57/70/950545770.db2.gz FJLNJUYRKJYVBW-HNNXBMFYSA-N 0 1 387.488 1.798 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574999445 950580028 /nfs/dbraw/zinc/58/00/28/950580028.db2.gz KANMGHPVFFJPNQ-LLVKDONJSA-N 0 1 381.444 1.127 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576207424 950592938 /nfs/dbraw/zinc/59/29/38/950592938.db2.gz HTTWKJLPPGBACC-SOUVJXGZSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576207424 950592945 /nfs/dbraw/zinc/59/29/45/950592945.db2.gz HTTWKJLPPGBACC-SOUVJXGZSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001575919362 950608174 /nfs/dbraw/zinc/60/81/74/950608174.db2.gz HAPNOXNDHBCURI-DGCLKSJQSA-N 0 1 384.469 1.174 20 0 GDADMN C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CN1CCC(C)CC1 ZINC001576208977 950622795 /nfs/dbraw/zinc/62/27/95/950622795.db2.gz WWJCHZFZYUPXCB-LBPRGKRZSA-N 0 1 376.440 1.049 20 0 GDADMN CC1(C)C(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC001575619858 950623145 /nfs/dbraw/zinc/62/31/45/950623145.db2.gz RDKOPOLVGZSSJB-JTQLQIEISA-N 0 1 378.502 1.177 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919867 950623615 /nfs/dbraw/zinc/62/36/15/950623615.db2.gz KWJFNCYIODWVLL-SMDDNHRTSA-N 0 1 382.403 1.263 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CC1 ZINC001574516960 950640135 /nfs/dbraw/zinc/64/01/35/950640135.db2.gz JFDXICOMIGGZGH-MYRBDLLGSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)C1CC1 ZINC001574519614 950688160 /nfs/dbraw/zinc/68/81/60/950688160.db2.gz WXUPTFPDYZFLPY-MYRBDLLGSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC001575927129 950734037 /nfs/dbraw/zinc/73/40/37/950734037.db2.gz NRPKOPQTFBLBOU-SWLSCSKDSA-N 0 1 392.467 1.606 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnns1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574763891 950738397 /nfs/dbraw/zinc/73/83/97/950738397.db2.gz NEIYJWZCISDGEI-RXMQYKEDSA-N 0 1 385.866 1.401 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnns1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574763892 950739159 /nfs/dbraw/zinc/73/91/59/950739159.db2.gz NEIYJWZCISDGEI-YFKPBYRVSA-N 0 1 385.866 1.401 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576216678 950740716 /nfs/dbraw/zinc/74/07/16/950740716.db2.gz FEXSYVQRDJFDHD-RYUDHWBXSA-N 0 1 391.426 1.625 20 0 GDADMN CC1(C)CC(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575629725 950742277 /nfs/dbraw/zinc/74/22/77/950742277.db2.gz RJWRWVJBPQIMFF-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC001575927731 950757270 /nfs/dbraw/zinc/75/72/70/950757270.db2.gz SYBVOHVKTODGTI-MLGOLLRUSA-N 0 1 388.435 1.880 20 0 GDADMN CC(C)(C)c1ccc(C(=O)NCC=CCNc2ccncc2-c2nn[nH]n2)nc1 ZINC001573881957 950761365 /nfs/dbraw/zinc/76/13/65/950761365.db2.gz LHZRIFLZZMLJBI-PLNGDYQASA-N 0 1 392.467 1.774 20 0 GDADMN CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001574183903 950766591 /nfs/dbraw/zinc/76/65/91/950766591.db2.gz AYDZFGHWUNFXJE-SNVBAGLBSA-N 0 1 378.437 1.858 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575632245 950793561 /nfs/dbraw/zinc/79/35/61/950793561.db2.gz DPUKZWCTZGNVEW-CQSZACIVSA-N 0 1 390.463 1.399 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575632500 950798763 /nfs/dbraw/zinc/79/87/63/950798763.db2.gz KBTYOMVYIIBMAW-GFCCVEGCSA-N 0 1 378.502 1.321 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575632500 950798776 /nfs/dbraw/zinc/79/87/76/950798776.db2.gz KBTYOMVYIIBMAW-GFCCVEGCSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574767382 950849191 /nfs/dbraw/zinc/84/91/91/950849191.db2.gz NHYGZXFLHARGJW-JTQLQIEISA-N 0 1 387.473 1.231 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1CCOCC1 ZINC001574524193 950850949 /nfs/dbraw/zinc/85/09/49/950850949.db2.gz UTNGPNCIBLNUTE-NWDGAFQWSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1CCOCC1 ZINC001574524193 950850973 /nfs/dbraw/zinc/85/09/73/950850973.db2.gz UTNGPNCIBLNUTE-NWDGAFQWSA-N 0 1 378.502 1.728 20 0 GDADMN CCOC(=O)C1=C(C[N@@H+](CC(=O)[O-])CC(C)(C)C)NC(=O)N[C@@H]1c1ccco1 ZINC001590178269 950852720 /nfs/dbraw/zinc/85/27/20/950852720.db2.gz HYOUXHDFYCPADR-MRXNPFEDSA-N 0 1 393.440 1.883 20 0 GDADMN C[C@H](CN(C)C(=O)c1csnn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574767662 950864204 /nfs/dbraw/zinc/86/42/04/950864204.db2.gz UKGCDJLSSWTSHA-RXMQYKEDSA-N 0 1 385.866 1.401 20 0 GDADMN CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573888535 950870335 /nfs/dbraw/zinc/87/03/35/950870335.db2.gz VOLPXZXQCUOXCU-XYPYZODXSA-N 0 1 382.428 1.342 20 0 GDADMN CC(C)(CC(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573897811 950967469 /nfs/dbraw/zinc/96/74/69/950967469.db2.gz TVPJQAWUBUUWOM-OCCSQVGLSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ncccc1[O-] ZINC001574530253 950973217 /nfs/dbraw/zinc/97/32/17/950973217.db2.gz ULFFDHOIIWMHOU-QWHCGFSZSA-N 0 1 381.440 1.654 20 0 GDADMN C[C@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576229860 950984791 /nfs/dbraw/zinc/98/47/91/950984791.db2.gz OMZKMJJNKCVCKX-BBRMVZONSA-N 0 1 381.484 1.913 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)c(=O)[nH]1 ZINC001575017404 950993575 /nfs/dbraw/zinc/99/35/75/950993575.db2.gz FEHRHGXKHCECLP-NSHDSACASA-N 0 1 382.428 1.138 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575019374 951037786 /nfs/dbraw/zinc/03/77/86/951037786.db2.gz STKPQJJLMBIWPC-MRVPVSSYSA-N 0 1 392.345 1.386 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)c(C(=O)[O-])c1C ZINC001591466704 951147351 /nfs/dbraw/zinc/14/73/51/951147351.db2.gz KGSHHFOBYSSEQL-SNVBAGLBSA-N 0 1 397.453 1.067 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)c(C(=O)[O-])c1C ZINC001591466704 951147359 /nfs/dbraw/zinc/14/73/59/951147359.db2.gz KGSHHFOBYSSEQL-SNVBAGLBSA-N 0 1 397.453 1.067 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575027575 951160520 /nfs/dbraw/zinc/16/05/20/951160520.db2.gz GKAGVPHFDCGXPP-ZDUSSCGKSA-N 0 1 380.456 1.582 20 0 GDADMN C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027628 951163257 /nfs/dbraw/zinc/16/32/57/951163257.db2.gz HFUGHKWEISFKNC-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001575028409 951173219 /nfs/dbraw/zinc/17/32/19/951173219.db2.gz WLPLOZQWRHBUOG-ZDUSSCGKSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@@H](CNC(=O)c1ccoc1Br)Nc1ccncc1-c1nn[nH]n1 ZINC001575039120 951326617 /nfs/dbraw/zinc/32/66/17/951326617.db2.gz NSHAXZGEHABTNB-QMMMGPOBSA-N 0 1 392.217 1.270 20 0 GDADMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000389798138 951358738 /nfs/dbraw/zinc/35/87/38/951358738.db2.gz QRBPJZVSOOSEEC-WMLDXEAASA-N 0 1 381.498 1.138 20 0 GDADMN C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043092 951379153 /nfs/dbraw/zinc/37/91/53/951379153.db2.gz OTGBXCXUKBPQTR-SECBINFHSA-N 0 1 391.386 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575054609 951493851 /nfs/dbraw/zinc/49/38/51/951493851.db2.gz YYWUENZDSAQMQA-VIFPVBQESA-N 0 1 377.359 1.108 20 0 GDADMN CC(C)c1nc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001575059248 951540924 /nfs/dbraw/zinc/54/09/24/951540924.db2.gz YCGNLTAZWRLJDB-SNVBAGLBSA-N 0 1 387.473 1.137 20 0 GDADMN C[C@H](CNC(=O)c1cscn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575060705 951544954 /nfs/dbraw/zinc/54/49/54/951544954.db2.gz DMMMMLLWXPVRSD-ZCFIWIBFSA-N 0 1 384.878 1.911 20 0 GDADMN C[C@@H](CNC(=O)c1n[nH]cc1F)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575060745 951547789 /nfs/dbraw/zinc/54/77/89/951547789.db2.gz FMGVMVYDPPLWNS-YFKPBYRVSA-N 0 1 385.816 1.094 20 0 GDADMN C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1ccncc1-c1nn[nH]n1 ZINC001575061965 951563071 /nfs/dbraw/zinc/56/30/71/951563071.db2.gz SDJWNDIDOLFYRE-QMMMGPOBSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1ccncc1-c1nn[nH]n1 ZINC001575061939 951564693 /nfs/dbraw/zinc/56/46/93/951564693.db2.gz RKDLJWULEVZNSR-QMMMGPOBSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@@H](CNC(=O)c1cscc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575062489 951568181 /nfs/dbraw/zinc/56/81/81/951568181.db2.gz WVCRDZFPTRGFTH-ZETCQYMHSA-N 0 1 380.384 1.308 20 0 GDADMN C[C@H](CNC(=O)c1nc(Cl)cs1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575062386 951568601 /nfs/dbraw/zinc/56/86/01/951568601.db2.gz VQFIEOUHTCNFFE-SSDOTTSWSA-N 0 1 379.837 1.021 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575088710 951742915 /nfs/dbraw/zinc/74/29/15/951742915.db2.gz BEHGORNJWBCJOO-PIGZYNQJSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001575088710 951742919 /nfs/dbraw/zinc/74/29/19/951742919.db2.gz BEHGORNJWBCJOO-PIGZYNQJSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cscn1 ZINC001575089881 951754641 /nfs/dbraw/zinc/75/46/41/951754641.db2.gz IFKOHVBWQOMBCO-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cnn(C)c1 ZINC001575098757 951825167 /nfs/dbraw/zinc/82/51/67/951825167.db2.gz GHZCGCAUQPMCQE-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cnn(C)c1 ZINC001575098757 951825174 /nfs/dbraw/zinc/82/51/74/951825174.db2.gz GHZCGCAUQPMCQE-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098734 951825381 /nfs/dbraw/zinc/82/53/81/951825381.db2.gz FSLGIZCNHQZXGG-NSHDSACASA-N 0 1 375.458 1.391 20 0 GDADMN C[C@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098734 951825388 /nfs/dbraw/zinc/82/53/88/951825388.db2.gz FSLGIZCNHQZXGG-NSHDSACASA-N 0 1 375.458 1.391 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)C(F)(F)F)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099388 951832690 /nfs/dbraw/zinc/83/26/90/951832690.db2.gz LGHIPRGHBMFPHV-IUCAKERBSA-N 0 1 376.408 1.969 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)C(F)(F)F)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099388 951832698 /nfs/dbraw/zinc/83/26/98/951832698.db2.gz LGHIPRGHBMFPHV-IUCAKERBSA-N 0 1 376.408 1.969 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575100922 951849664 /nfs/dbraw/zinc/84/96/64/951849664.db2.gz WQFXIDLAKHYWIM-STQMWFEESA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575100922 951849670 /nfs/dbraw/zinc/84/96/70/951849670.db2.gz WQFXIDLAKHYWIM-STQMWFEESA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CNCc1ncc(C(C)(C)C)o1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575118774 951985020 /nfs/dbraw/zinc/98/50/20/951985020.db2.gz SVDNUABHZLTNAE-LLVKDONJSA-N 0 1 386.460 1.636 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575127598 952060077 /nfs/dbraw/zinc/06/00/77/952060077.db2.gz YUQSDTQWIRPDEV-WMLDXEAASA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575127598 952060084 /nfs/dbraw/zinc/06/00/84/952060084.db2.gz YUQSDTQWIRPDEV-WMLDXEAASA-N 0 1 386.504 1.783 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575139704 952141199 /nfs/dbraw/zinc/14/11/99/952141199.db2.gz ATAGXEWAMPILOF-MRXNPFEDSA-N 0 1 388.819 1.336 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1ccccc1 ZINC001575140382 952142679 /nfs/dbraw/zinc/14/26/79/952142679.db2.gz CVSQJPNQVJVPQW-AWEZNQCLSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575142794 952148153 /nfs/dbraw/zinc/14/81/53/952148153.db2.gz LUSQLVKDIKBJFP-LBPRGKRZSA-N 0 1 384.419 1.109 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575143530 952154483 /nfs/dbraw/zinc/15/44/83/952154483.db2.gz QCPPOJMRTWZEPW-SNVBAGLBSA-N 0 1 382.419 1.409 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575143517 952154916 /nfs/dbraw/zinc/15/49/16/952154916.db2.gz QBOGWLHYCXSUEJ-RNODOKPDSA-N 0 1 392.467 1.242 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCc1ccccc1F ZINC001575144840 952172565 /nfs/dbraw/zinc/17/25/65/952172565.db2.gz YEBYSCDEMIKDIA-LBPRGKRZSA-N 0 1 384.419 1.109 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575147771 952200884 /nfs/dbraw/zinc/20/08/84/952200884.db2.gz VZUDRIHLWZNAHW-CQSZACIVSA-N 0 1 387.488 1.539 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc2c(c1)CCN2C ZINC001575148249 952203036 /nfs/dbraw/zinc/20/30/36/952203036.db2.gz ZBNHEXSZIXARKG-ZDUSSCGKSA-N 0 1 392.467 1.249 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cccn1C ZINC001575166734 952328806 /nfs/dbraw/zinc/32/88/06/952328806.db2.gz YBZZNDBLHLTQPW-MRVPVSSYSA-N 0 1 380.865 1.888 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575190497 952463055 /nfs/dbraw/zinc/46/30/55/952463055.db2.gz SXRAWMGSRIJOJF-VXGBXAGGSA-N 0 1 384.419 1.013 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1ccncc1-c1nn[nH]n1 ZINC001575196238 952475471 /nfs/dbraw/zinc/47/54/71/952475471.db2.gz GDEJTLAKNOVXOA-DYVFJYSZSA-N 0 1 383.456 1.708 20 0 GDADMN O=C(c1ccc2c(c1)CCC2)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571117538 952483444 /nfs/dbraw/zinc/48/34/44/952483444.db2.gz MOAFSEHJSLBPKM-MRXNPFEDSA-N 0 1 375.436 1.499 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)cc1 ZINC001571121165 952516938 /nfs/dbraw/zinc/51/69/38/952516938.db2.gz XARYMRGHSCBPBI-WFASDCNBSA-N 0 1 376.424 1.437 20 0 GDADMN O=C(c1cscc1Cl)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571123059 952527702 /nfs/dbraw/zinc/52/77/02/952527702.db2.gz MXAGLQFJDPDQNG-UHFFFAOYSA-N 0 1 376.833 1.334 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571127223 952551809 /nfs/dbraw/zinc/55/18/09/952551809.db2.gz BSCQJDLDHGBXEA-SFHVURJKSA-N 0 1 377.452 1.965 20 0 GDADMN CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)CC[C@@H]2C1 ZINC001575212540 952554048 /nfs/dbraw/zinc/55/40/48/952554048.db2.gz IPESARLDNFDTEL-MNOVXSKESA-N 0 1 382.440 1.864 20 0 GDADMN CC(F)(F)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)CC[C@@H]2C1 ZINC001575212540 952554053 /nfs/dbraw/zinc/55/40/53/952554053.db2.gz IPESARLDNFDTEL-MNOVXSKESA-N 0 1 382.440 1.864 20 0 GDADMN CC(F)(F)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)CC[C@@H]2C1 ZINC001575212540 952554059 /nfs/dbraw/zinc/55/40/59/952554059.db2.gz IPESARLDNFDTEL-MNOVXSKESA-N 0 1 382.440 1.864 20 0 GDADMN CC(F)(F)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)CC[C@@H]2C1 ZINC001575212540 952554063 /nfs/dbraw/zinc/55/40/63/952554063.db2.gz IPESARLDNFDTEL-MNOVXSKESA-N 0 1 382.440 1.864 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1C ZINC001571134133 952586181 /nfs/dbraw/zinc/58/61/81/952586181.db2.gz FABARNCUZQQGCU-YVEFUNNKSA-N 0 1 378.440 1.268 20 0 GDADMN Cc1ccc(CCC(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001571135182 952601010 /nfs/dbraw/zinc/60/10/10/952601010.db2.gz SOIYVYKDCQMIAF-UHFFFAOYSA-N 0 1 378.440 1.247 20 0 GDADMN Cc1n[nH]cc1C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571135408 952603990 /nfs/dbraw/zinc/60/39/90/952603990.db2.gz VJPHDCORHGHNBH-NVXWUHKLSA-N 0 1 378.440 1.245 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1n[nH]c2c1CCC2 ZINC001571140562 952627613 /nfs/dbraw/zinc/62/76/13/952627613.db2.gz CZGCMDCSNNAOAB-AWEZNQCLSA-N 0 1 378.440 1.083 20 0 GDADMN O=C(Cc1cccnc1)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571141103 952630530 /nfs/dbraw/zinc/63/05/30/952630530.db2.gz GSZRHVRKKHOCOA-SHTZXODSSA-N 0 1 378.440 1.161 20 0 GDADMN O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ncccc1[O-] ZINC001571142090 952639111 /nfs/dbraw/zinc/63/91/11/952639111.db2.gz PCMXKEJAFANGKN-CTYIDZIISA-N 0 1 379.424 1.266 20 0 GDADMN COc1cccc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571142391 952641201 /nfs/dbraw/zinc/64/12/01/952641201.db2.gz TUUNPRUHUGOYFU-MQMHXKEQSA-N 0 1 379.424 1.313 20 0 GDADMN O=C(Cc1ccc[nH]1)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571142681 952644821 /nfs/dbraw/zinc/64/48/21/952644821.db2.gz VFUWRHLPVHZCON-VIFPVBQESA-N 0 1 378.849 1.242 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001571142731 952646464 /nfs/dbraw/zinc/64/64/64/952646464.db2.gz WWAWEUWMPBPYLJ-WMLDXEAASA-N 0 1 378.440 1.326 20 0 GDADMN Cc1ncncc1C(=O)N1CCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001571146132 952648202 /nfs/dbraw/zinc/64/82/02/952648202.db2.gz DFXFHSNFXAWKCF-ZDUSSCGKSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2C[C@H]2C2CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571151709 952678288 /nfs/dbraw/zinc/67/82/88/952678288.db2.gz VGFXEEHMZVVROZ-RMVLQADPSA-N 0 1 379.468 1.557 20 0 GDADMN O=C(C1CCCC1)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571153963 952688809 /nfs/dbraw/zinc/68/88/09/952688809.db2.gz XBYWCXGHIWJTES-UWVGGRQHSA-N 0 1 379.877 1.956 20 0 GDADMN Cc1cc(N[C@@H]2C[C@H](NC(=O)c3ccon3)C23CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571157881 952708377 /nfs/dbraw/zinc/70/83/77/952708377.db2.gz BKZNHOOPJUNKKF-CABCVRRESA-N 0 1 380.412 1.133 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1Cc1cncc(C)c1 ZINC001571166913 952766867 /nfs/dbraw/zinc/76/68/67/952766867.db2.gz RNQWNDFTEUTYMM-WMLDXEAASA-N 0 1 380.456 1.681 20 0 GDADMN CN(C(=O)c1ncccc1F)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571178675 952844820 /nfs/dbraw/zinc/84/48/20/952844820.db2.gz QVBAOGYSOZVZEQ-OAHLLOKOSA-N 0 1 381.415 1.747 20 0 GDADMN Cc1ccc(CC(=O)N2CCCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)o1 ZINC001571180237 952859401 /nfs/dbraw/zinc/85/94/01/952859401.db2.gz MXHOLPPRGWRFFN-CQSZACIVSA-N 0 1 381.440 1.621 20 0 GDADMN Cc1ccc([C@H](C)C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571180477 952860427 /nfs/dbraw/zinc/86/04/27/952860427.db2.gz OYPFDGRIPNVEDU-UONOGXRCSA-N 0 1 381.440 1.970 20 0 GDADMN O=C(NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccc(CF)cc1 ZINC001571182923 952871148 /nfs/dbraw/zinc/87/11/48/952871148.db2.gz JUZDHKHFRGCPPX-AWEZNQCLSA-N 0 1 381.415 1.988 20 0 GDADMN CC(C)n1cccc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571183688 952881881 /nfs/dbraw/zinc/88/18/81/952881881.db2.gz HNEXJHLAUOVVHT-ZDUSSCGKSA-N 0 1 381.444 1.178 20 0 GDADMN CCCc1[nH]ccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571184091 952888550 /nfs/dbraw/zinc/88/85/50/952888550.db2.gz QCSWVZKUHKKZMQ-YPMHNXCESA-N 0 1 381.444 1.074 20 0 GDADMN Cc1[nH]nc(C(=O)N2CCC(C)(Nc3ccncc3-c3nn[nH]n3)CC2)c1C ZINC001571184614 952895169 /nfs/dbraw/zinc/89/51/69/952895169.db2.gz BFZNGTJMDYLQFS-UHFFFAOYSA-N 0 1 381.444 1.130 20 0 GDADMN CCn1cc(C(=O)N2CCC[C@@H]2CN(C)c2ccncc2-c2nn[nH]n2)cn1 ZINC001571185025 952899905 /nfs/dbraw/zinc/89/99/05/952899905.db2.gz GUXLKWUBLNNKRI-CQSZACIVSA-N 0 1 381.444 1.219 20 0 GDADMN CCn1nccc1C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001571186138 952905565 /nfs/dbraw/zinc/90/55/65/952905565.db2.gz TZMUDSUFOZIYCR-BXUZGUMPSA-N 0 1 381.444 1.041 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@H]2C)n1 ZINC001571188148 952912068 /nfs/dbraw/zinc/91/20/68/952912068.db2.gz GTPKPDXDIHMEHW-DGCLKSJQSA-N 0 1 381.444 1.042 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)c3ccnn3C)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188676 952918786 /nfs/dbraw/zinc/91/87/86/952918786.db2.gz MNJTYBHKPDPGHH-JSGCOSHPSA-N 0 1 381.444 1.091 20 0 GDADMN O=C(NC[C@@H]1[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571191322 952946754 /nfs/dbraw/zinc/94/67/54/952946754.db2.gz PTFSDLMHBQMCDF-QKDCVEJESA-N 0 1 381.484 1.683 20 0 GDADMN O=C(c1ncc[nH]1)N1CC2(C1)CCN(Cc1cc(-c3nn[nH]n3)ccc1F)C2 ZINC001571200516 953009680 /nfs/dbraw/zinc/00/96/80/953009680.db2.gz JGDLAQDOKAAYND-UHFFFAOYSA-N 0 1 382.403 1.077 20 0 GDADMN Cc1ccoc1C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571201960 953021881 /nfs/dbraw/zinc/02/18/81/953021881.db2.gz POOMOGHPIHCUJH-ZDUSSCGKSA-N 0 1 382.428 1.477 20 0 GDADMN Cc1nocc1C(=O)N[C@H]1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202670 953028102 /nfs/dbraw/zinc/02/81/02/953028102.db2.gz XLAZJIINOKMXPV-OLZOCXBDSA-N 0 1 382.428 1.442 20 0 GDADMN Cc1cc(CCC(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571202749 953028204 /nfs/dbraw/zinc/02/82/04/953028204.db2.gz YCZMCFUUOGSKSV-CQSZACIVSA-N 0 1 382.428 1.016 20 0 GDADMN Cc1ncoc1CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571206554 953052677 /nfs/dbraw/zinc/05/26/77/953052677.db2.gz QVPPPAQNUDCYII-SGTLLEGYSA-N 0 1 382.428 1.276 20 0 GDADMN O=C([C@@H]1CC12CC2)N1CC2(C1)CCN(Cc1cc(-c3nn[nH]n3)ccc1F)C2 ZINC001571210869 953075636 /nfs/dbraw/zinc/07/56/36/953075636.db2.gz YWUVQPKGEKCSTN-HNNXBMFYSA-N 0 1 382.443 1.840 20 0 GDADMN CC1(C(=O)N2CC[C@]3(C2)CCCN(c2ccnc(-c4nn[nH]n4)n2)C3)CCC1 ZINC001571211793 953082108 /nfs/dbraw/zinc/08/21/08/953082108.db2.gz GSJGSEUYWKVBBT-LJQANCHMSA-N 0 1 382.472 1.666 20 0 GDADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C1(C2CCC2)CCC1 ZINC001571212919 953091129 /nfs/dbraw/zinc/09/11/29/953091129.db2.gz OCNVPDAPDOMKPQ-TZMCWYRMSA-N 0 1 382.472 1.568 20 0 GDADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001571213632 953096764 /nfs/dbraw/zinc/09/67/64/953096764.db2.gz SLJKDNRGZBBGRE-WDNDVIMCSA-N 0 1 382.472 1.308 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)C1 ZINC001571214442 953101765 /nfs/dbraw/zinc/10/17/65/953101765.db2.gz YRFVLZRWELMASS-UBHSHLNASA-N 0 1 382.472 1.566 20 0 GDADMN C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571214494 953102452 /nfs/dbraw/zinc/10/24/52/953102452.db2.gz ZYLJSNWQXIKIPK-JSGCOSHPSA-N 0 1 382.472 1.165 20 0 GDADMN O=C(CC(F)(F)F)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571217827 953110917 /nfs/dbraw/zinc/11/09/17/953110917.db2.gz PNAIIKDKPLOHQF-UHFFFAOYSA-N 0 1 383.378 1.677 20 0 GDADMN O=C(c1cc(F)c[nH]1)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571218929 953120709 /nfs/dbraw/zinc/12/07/09/953120709.db2.gz HJSGQIXMGNDZEK-QWHCGFSZSA-N 0 1 383.391 1.007 20 0 GDADMN O=C(C(C1CC1)C1CC1)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571219066 953122505 /nfs/dbraw/zinc/12/25/05/953122505.db2.gz UHUBPLWBRYNWBU-LBPRGKRZSA-N 0 1 382.472 1.165 20 0 GDADMN C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001571219323 953125283 /nfs/dbraw/zinc/12/52/83/953125283.db2.gz XMCOPVDFSBTJJO-DTWKUNHWSA-N 0 1 382.881 1.084 20 0 GDADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571219323 953125286 /nfs/dbraw/zinc/12/52/86/953125286.db2.gz XMCOPVDFSBTJJO-DTWKUNHWSA-N 0 1 382.881 1.084 20 0 GDADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571219323 953125296 /nfs/dbraw/zinc/12/52/96/953125296.db2.gz XMCOPVDFSBTJJO-DTWKUNHWSA-N 0 1 382.881 1.084 20 0 GDADMN C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571219323 953125299 /nfs/dbraw/zinc/12/52/99/953125299.db2.gz XMCOPVDFSBTJJO-DTWKUNHWSA-N 0 1 382.881 1.084 20 0 GDADMN Cc1nonc1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001571224744 953150421 /nfs/dbraw/zinc/15/04/21/953150421.db2.gz FLJAURKMLPOWFI-AAEUAGOBSA-N 0 1 383.416 1.049 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCN1Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571229744 953171337 /nfs/dbraw/zinc/17/13/37/953171337.db2.gz LXZHYTGERONRJL-PXAZEXFGSA-N 0 1 383.431 1.656 20 0 GDADMN CCc1[nH]ccc1C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571229798 953172272 /nfs/dbraw/zinc/17/22/72/953172272.db2.gz NXLGKCFERBIXAX-AWEZNQCLSA-N 0 1 383.431 1.901 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)Cc3cccs3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233930 953197410 /nfs/dbraw/zinc/19/74/10/953197410.db2.gz IGRMRABGXBVQEG-MEDUHNTESA-N 0 1 383.481 1.555 20 0 GDADMN O=C([C@H]1CCCO1)N1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571234522 953202914 /nfs/dbraw/zinc/20/29/14/953202914.db2.gz ANZSTCVKPIPZJM-SECBINFHSA-N 0 1 383.865 1.194 20 0 GDADMN CC(=O)N1C[C@H](C)O[C@]2(CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)C1 ZINC001571234890 953206932 /nfs/dbraw/zinc/20/69/32/953206932.db2.gz LVZKLNUJUZPBNM-RTHLEPHNSA-N 0 1 383.865 1.193 20 0 GDADMN O=C([C@H]1CCOC1)N1CCC[C@H]1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571235268 953210819 /nfs/dbraw/zinc/21/08/19/953210819.db2.gz YPFRYPNCBFXARN-IUCAKERBSA-N 0 1 383.865 1.416 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(F)c[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571241706 953248898 /nfs/dbraw/zinc/24/88/98/953248898.db2.gz JLMFEWXVKMPKDH-CYBMUJFWSA-N 0 1 384.419 1.826 20 0 GDADMN CN(C(=O)c1ccsc1)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571244915 953267973 /nfs/dbraw/zinc/26/79/73/953267973.db2.gz MAEVUGIKKGASTC-UHFFFAOYSA-N 0 1 384.469 1.635 20 0 GDADMN Cc1ncc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)s1 ZINC001571245673 953275742 /nfs/dbraw/zinc/27/57/42/953275742.db2.gz YFFLPLBUHVFALB-GXFFZTMASA-N 0 1 384.469 1.472 20 0 GDADMN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cccnn1 ZINC001571247887 953287001 /nfs/dbraw/zinc/28/70/01/953287001.db2.gz HLQMBOAAQFWGGI-NWDGAFQWSA-N 0 1 384.469 1.407 20 0 GDADMN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cccnn1 ZINC001571247887 953287005 /nfs/dbraw/zinc/28/70/05/953287005.db2.gz HLQMBOAAQFWGGI-NWDGAFQWSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@H]1COCC[C@@H]1C(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571248505 953294455 /nfs/dbraw/zinc/29/44/55/953294455.db2.gz WAFKRIPYJOOEIM-YJBOKZPZSA-N 0 1 384.484 1.574 20 0 GDADMN C[C@@H]1CN(C(=O)CC2CCCCCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571249077 953300601 /nfs/dbraw/zinc/30/06/01/953300601.db2.gz CPNBDTLOLNGVMJ-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN Cc1cnc([C@H](C)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)o1 ZINC001571250289 953309910 /nfs/dbraw/zinc/30/99/10/953309910.db2.gz QCGSEVDSTXTJBK-UBHSHLNASA-N 0 1 384.444 1.883 20 0 GDADMN CCC(C)(CC)C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571251494 953317512 /nfs/dbraw/zinc/31/75/12/953317512.db2.gz YTJAABYWJZIJBT-KGLIPLIRSA-N 0 1 384.488 1.768 20 0 GDADMN CN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571252094 953324256 /nfs/dbraw/zinc/32/42/56/953324256.db2.gz GYRXXKJIPHCVPK-ZBFHGGJFSA-N 0 1 384.488 1.539 20 0 GDADMN O=C(CCc1ccon1)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571254768 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998029073 /nfs/dbraw/zinc/02/90/73/998029073.db2.gz KJBMVDHMQHJFNK-HNNXBMFYSA-N 0 1 375.429 1.353 20 0 GDADMN COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001599240445 998030118 /nfs/dbraw/zinc/03/01/18/998030118.db2.gz MUGYRKUXLBKSMW-JTQLQIEISA-N 0 1 396.918 1.797 20 0 GDADMN COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001599240445 998030126 /nfs/dbraw/zinc/03/01/26/998030126.db2.gz MUGYRKUXLBKSMW-JTQLQIEISA-N 0 1 396.918 1.797 20 0 GDADMN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CN2Cc3ccc(C(=O)[O-])cc3C2=O)C1 ZINC001599242203 998065647 /nfs/dbraw/zinc/06/56/47/998065647.db2.gz KJFVIWHTFSVYGZ-BBRMVZONSA-N 0 1 389.452 1.161 20 0 GDADMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CN2Cc3ccc(C(=O)[O-])cc3C2=O)C1 ZINC001599242203 998065663 /nfs/dbraw/zinc/06/56/63/998065663.db2.gz KJFVIWHTFSVYGZ-BBRMVZONSA-N 0 1 389.452 1.161 20 0 GDADMN COC(=O)c1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(C(=O)[O-])s1 ZINC001598951709 998165189 /nfs/dbraw/zinc/16/51/89/998165189.db2.gz 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GDADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC)CC2)c1 ZINC001598961562 998342187 /nfs/dbraw/zinc/34/21/87/998342187.db2.gz VFISZPBPYDKXOG-TZMCWYRMSA-N 0 1 378.425 1.999 20 0 GDADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC001598961798 998346296 /nfs/dbraw/zinc/34/62/96/998346296.db2.gz XRXQIBFFUNKJDE-ZVEKRUBGSA-N 0 1 390.436 1.591 20 0 GDADMN COCOc1ccc(NC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC001599275772 998607156 /nfs/dbraw/zinc/60/71/56/998607156.db2.gz OXZLWDNVLKALPO-SFHVURJKSA-N 0 1 379.413 1.063 20 0 GDADMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001594167865 998647750 /nfs/dbraw/zinc/64/77/50/998647750.db2.gz RZKWOYHGLCJUMN-JSGCOSHPSA-N 0 1 382.420 1.511 20 0 GDADMN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C(=O)[O-] ZINC001598989194 998720819 /nfs/dbraw/zinc/72/08/19/998720819.db2.gz WSWDWQHDWBFFLW-NEPJUHHUSA-N 0 1 382.438 1.077 20 0 GDADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594242753 998921839 /nfs/dbraw/zinc/92/18/39/998921839.db2.gz HRQCCLWIFVXFDJ-CHWSQXEVSA-N 0 1 392.456 1.953 20 0 GDADMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594242753 998921843 /nfs/dbraw/zinc/92/18/43/998921843.db2.gz HRQCCLWIFVXFDJ-CHWSQXEVSA-N 0 1 392.456 1.953 20 0 GDADMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC001594246159 998942166 /nfs/dbraw/zinc/94/21/66/998942166.db2.gz UAFNWYUFZLXGKV-DZGCQCFKSA-N 0 1 392.481 1.782 20 0 GDADMN COC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)c(C(=O)[O-])c1C ZINC001599021798 998986217 /nfs/dbraw/zinc/98/62/17/998986217.db2.gz YKXSWVNZJHNTEJ-GOSISDBHSA-N 0 1 396.465 1.717 20 0 GDADMN COC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@](O)(C3CC3)C2)c(C(=O)[O-])c1C ZINC001599021798 998986221 /nfs/dbraw/zinc/98/62/21/998986221.db2.gz YKXSWVNZJHNTEJ-GOSISDBHSA-N 0 1 396.465 1.717 20 0 GDADMN 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20 0 GDADMN NC(=O)[C@H](NCCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736955 599087370 /nfs/dbraw/zinc/08/73/70/599087370.db2.gz NVIMTQGBPYWUNU-OAHLLOKOSA-N 0 1 388.378 1.827 20 0 GDADMN Cc1ccc(-c2cc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)[nH]n2)o1 ZINC000737290224 599120217 /nfs/dbraw/zinc/12/02/17/599120217.db2.gz YERGSNTWQKQRJU-HNNXBMFYSA-N 0 1 393.363 1.542 20 0 GDADMN NC(=O)[C@H](OC(=O)Cc1[nH]nc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737739279 599124219 /nfs/dbraw/zinc/12/42/19/599124219.db2.gz JZCGIJIKOVRLGE-MRXNPFEDSA-N 0 1 377.364 1.055 20 0 GDADMN O=C(CC1CCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000822940706 599138028 /nfs/dbraw/zinc/13/80/28/599138028.db2.gz BEKZTRBCWWUSRJ-UHFFFAOYSA-N 0 1 383.412 1.954 20 0 GDADMN CN(C)Cc1cc(CNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000736771469 599149735 /nfs/dbraw/zinc/14/97/35/599149735.db2.gz MVRQRSCBDFTUGX-UHFFFAOYSA-N 0 1 397.414 1.322 20 0 GDADMN CC[NH+](CC)[C@H]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821182783 599209842 /nfs/dbraw/zinc/20/98/42/599209842.db2.gz ZPYATZNVFHGFLW-AWEZNQCLSA-N 0 1 387.488 1.459 20 0 GDADMN O=C([O-])C[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000819358164 597058955 /nfs/dbraw/zinc/05/89/55/597058955.db2.gz WKCPVVYZARMWGM-MRXNPFEDSA-N 0 1 392.475 1.844 20 0 GDADMN C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000532880953 597078064 /nfs/dbraw/zinc/07/80/64/597078064.db2.gz GCHBFCWGUUQPII-HOCLYGCPSA-N 0 1 376.453 1.692 20 0 GDADMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000819374848 597082628 /nfs/dbraw/zinc/08/26/28/597082628.db2.gz BKBMXAPPMCPCIP-INIZCTEOSA-N 0 1 388.468 1.549 20 0 GDADMN CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)NC(=O)N[C@@H]1c1ccco1 ZINC000818216675 597086770 /nfs/dbraw/zinc/08/67/70/597086770.db2.gz DJYKSCGUNJOCCM-SJKOYZFVSA-N 0 1 391.424 1.637 20 0 GDADMN CCOC(=O)C1=C(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)NC(=O)N[C@@H]1c1ccco1 ZINC000818216675 597086773 /nfs/dbraw/zinc/08/67/73/597086773.db2.gz DJYKSCGUNJOCCM-SJKOYZFVSA-N 0 1 391.424 1.637 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C(=O)[O-])CC2)C1 ZINC000262245032 597430544 /nfs/dbraw/zinc/43/05/44/597430544.db2.gz CFNUFOSTTUXDPB-WBVHZDCISA-N 0 1 379.501 1.423 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCCC[C@H]3C(=O)[O-])CC2)C1 ZINC000262245032 597430550 /nfs/dbraw/zinc/43/05/50/597430550.db2.gz CFNUFOSTTUXDPB-WBVHZDCISA-N 0 1 379.501 1.423 20 0 GDADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000819521622 597454801 /nfs/dbraw/zinc/45/48/01/597454801.db2.gz RQIOFXOPUXOMIF-HOTGVXAUSA-N 0 1 376.409 1.510 20 0 GDADMN O=C([O-])[C@@H]1CC[N@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000819286741 597537038 /nfs/dbraw/zinc/53/70/38/597537038.db2.gz JGCJQTAVIXPYQB-OAHLLOKOSA-N 0 1 379.416 1.846 20 0 GDADMN O=C([O-])[C@@H]1CC[N@@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000819286741 597537039 /nfs/dbraw/zinc/53/70/39/597537039.db2.gz JGCJQTAVIXPYQB-OAHLLOKOSA-N 0 1 379.416 1.846 20 0 GDADMN Cc1nc(COC(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)n[nH]1 ZINC000822444340 607319749 /nfs/dbraw/zinc/31/97/49/607319749.db2.gz MQOJQTPCFRDMJV-UHFFFAOYSA-N 0 1 381.352 1.822 20 0 GDADMN CCCc1nc([C@H]2CN(C(=O)Cc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000736494700 599286477 /nfs/dbraw/zinc/28/64/77/599286477.db2.gz DPGGATRXXUIHIJ-CQSZACIVSA-N 0 1 382.428 1.080 20 0 GDADMN CCCc1n[nH]c([C@H]2CN(C(=O)Cc3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000736494700 599286479 /nfs/dbraw/zinc/28/64/79/599286479.db2.gz DPGGATRXXUIHIJ-CQSZACIVSA-N 0 1 382.428 1.080 20 0 GDADMN CC(C)(C)c1nc([C@@H]2CN(CCOc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000735656636 599290871 /nfs/dbraw/zinc/29/08/71/599290871.db2.gz LEUSKCZZQNBJME-HNNXBMFYSA-N 0 1 398.471 1.735 20 0 GDADMN CC(C)(C)c1nnc([C@@H]2CN(CCOc3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000735656636 599290874 /nfs/dbraw/zinc/29/08/74/599290874.db2.gz LEUSKCZZQNBJME-HNNXBMFYSA-N 0 1 398.471 1.735 20 0 GDADMN CN1CCN(C)[C@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821626846 599291635 /nfs/dbraw/zinc/29/16/35/599291635.db2.gz BDBRNRLLEVFCHP-LLVKDONJSA-N 0 1 398.393 1.253 20 0 GDADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000821530731 598067560 /nfs/dbraw/zinc/06/75/60/598067560.db2.gz HRXROKYZFUBOFK-RDJZCZTQSA-N 0 1 392.427 1.770 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@H](C(=O)OC[C@H]3CCC[N@H+]3CC(=O)[O-])C2)cc1 ZINC000821063815 598069012 /nfs/dbraw/zinc/06/90/12/598069012.db2.gz DSTQIKKIZVWJMJ-ZWKOTPCHSA-N 0 1 388.464 1.939 20 0 GDADMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cn1 ZINC000821343529 607342014 /nfs/dbraw/zinc/34/20/14/607342014.db2.gz OWMVQRQFTPZPAE-UHFFFAOYSA-N 0 1 388.409 1.548 20 0 GDADMN Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(-c4nn[nH]n4)cc3F)[nH]c2c1 ZINC000822271395 607342074 /nfs/dbraw/zinc/34/20/74/607342074.db2.gz YVQBYEFWVDLJEZ-UHFFFAOYSA-N 0 1 394.370 1.445 20 0 GDADMN O=C([O-])c1cccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000821441878 598191608 /nfs/dbraw/zinc/19/16/08/598191608.db2.gz HLOBFBPXDYHRRM-NRFANRHFSA-N 0 1 383.448 1.821 20 0 GDADMN CCCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736411583 598257464 /nfs/dbraw/zinc/25/74/64/598257464.db2.gz KTOBTZUBBNSQQT-GFCCVEGCSA-N 0 1 391.501 1.638 20 0 GDADMN CC(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[NH+]1CCC(C)CC1 ZINC000736274544 598265212 /nfs/dbraw/zinc/26/52/12/598265212.db2.gz ABYIJINXGWMWBS-MRXNPFEDSA-N 0 1 393.517 1.297 20 0 GDADMN CC(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[NH+]1CCC(C)CC1 ZINC000736274544 598265214 /nfs/dbraw/zinc/26/52/14/598265214.db2.gz ABYIJINXGWMWBS-MRXNPFEDSA-N 0 1 393.517 1.297 20 0 GDADMN CCn1c(=O)[nH]nc1S[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000736714993 598265252 /nfs/dbraw/zinc/26/52/52/598265252.db2.gz ZCLLWWZJWGFREH-ZETCQYMHSA-N 0 1 394.848 1.956 20 0 GDADMN C[C@@H]1CN(CCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H](C)O1 ZINC000736284609 598317284 /nfs/dbraw/zinc/31/72/84/598317284.db2.gz BTVGWXBISVYIGK-BETUJISGSA-N 0 1 391.451 1.304 20 0 GDADMN Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737448188 598351264 /nfs/dbraw/zinc/35/12/64/598351264.db2.gz NGLJSIOWXPCSIN-LLVKDONJSA-N 0 1 386.485 1.539 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](Cn3cncn3)C2)c(-c2nn[nH]n2)c1C ZINC000737547330 598368397 /nfs/dbraw/zinc/36/83/97/598368397.db2.gz JYXMNEPHVKKMJO-GXTWGEPZSA-N 0 1 399.459 1.407 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](Cn3cncn3)C2)c(-c2nn[nH]n2)c1C ZINC000737547333 598369023 /nfs/dbraw/zinc/36/90/23/598369023.db2.gz JYXMNEPHVKKMJO-JSGCOSHPSA-N 0 1 399.459 1.407 20 0 GDADMN Fc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C2)c(F)c1 ZINC000737658017 598390430 /nfs/dbraw/zinc/39/04/30/598390430.db2.gz BRQNMNJAQTVEJZ-CYBMUJFWSA-N 0 1 397.393 1.556 20 0 GDADMN Fc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C2)c(F)c1 ZINC000737658017 598390432 /nfs/dbraw/zinc/39/04/32/598390432.db2.gz BRQNMNJAQTVEJZ-CYBMUJFWSA-N 0 1 397.393 1.556 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737186620 598474162 /nfs/dbraw/zinc/47/41/62/598474162.db2.gz KBZSLJMMAOAGEF-QWRGUYRKSA-N 0 1 391.501 1.682 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000737201540 598497804 /nfs/dbraw/zinc/49/78/04/598497804.db2.gz UICMPBIXWHUIPK-AWEZNQCLSA-N 0 1 385.472 1.117 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000737201540 598497805 /nfs/dbraw/zinc/49/78/05/598497805.db2.gz UICMPBIXWHUIPK-AWEZNQCLSA-N 0 1 385.472 1.117 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000737201540 598497806 /nfs/dbraw/zinc/49/78/06/598497806.db2.gz UICMPBIXWHUIPK-AWEZNQCLSA-N 0 1 385.472 1.117 20 0 GDADMN C[C@H]1C[C@@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000736241307 598501054 /nfs/dbraw/zinc/50/10/54/598501054.db2.gz WWHSHKXNJPTVER-JQWIXIFHSA-N 0 1 383.412 1.856 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820333784 607360657 /nfs/dbraw/zinc/36/06/57/607360657.db2.gz GIMWRTADWYMRPQ-JMCQJSRRSA-N 0 1 397.226 1.003 20 0 GDADMN O=S1(=O)CC[C@@H](NCc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000738356758 598560795 /nfs/dbraw/zinc/56/07/95/598560795.db2.gz JIAUUBMVTKIJJQ-MRXNPFEDSA-N 0 1 399.476 1.722 20 0 GDADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC000736604362 598568893 /nfs/dbraw/zinc/56/88/93/598568893.db2.gz XICMYZIZXAFXCO-MRVPVSSYSA-N 0 1 390.429 1.459 20 0 GDADMN CCCCN(Cc1cn2ccccc2c1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000736456213 598580291 /nfs/dbraw/zinc/58/02/91/598580291.db2.gz FPSZFIKIEWYJKS-OAHLLOKOSA-N 0 1 388.497 1.909 20 0 GDADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCc1ccc(-c2nn[nH]n2)cc1 ZINC000736115909 598621272 /nfs/dbraw/zinc/62/12/72/598621272.db2.gz KWVMFRYWRDZPRF-NSHDSACASA-N 0 1 391.391 1.605 20 0 GDADMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)c1cccs1 ZINC000736895749 598709156 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CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[NH+]1CCC(C)CC1 ZINC000820723220 606159532 /nfs/dbraw/zinc/15/95/32/606159532.db2.gz XRRQPFYZEZKHJZ-CQSZACIVSA-N 0 1 375.481 1.478 20 0 GDADMN CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[NH+]1CCC(C)CC1 ZINC000820723220 606159534 /nfs/dbraw/zinc/15/95/34/606159534.db2.gz XRRQPFYZEZKHJZ-CQSZACIVSA-N 0 1 375.481 1.478 20 0 GDADMN C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820570299 606163841 /nfs/dbraw/zinc/16/38/41/606163841.db2.gz GQHNWOZARPCXST-CYBMUJFWSA-N 0 1 395.471 1.947 20 0 GDADMN C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820570299 606163843 /nfs/dbraw/zinc/16/38/43/606163843.db2.gz GQHNWOZARPCXST-CYBMUJFWSA-N 0 1 395.471 1.947 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000820658426 606194944 /nfs/dbraw/zinc/19/49/44/606194944.db2.gz SGGYKIZRTWEOIW-UKRRQHHQSA-N 0 1 395.471 1.775 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000820658426 606194946 /nfs/dbraw/zinc/19/49/46/606194946.db2.gz SGGYKIZRTWEOIW-UKRRQHHQSA-N 0 1 395.471 1.775 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820658426 606194948 /nfs/dbraw/zinc/19/49/48/606194948.db2.gz SGGYKIZRTWEOIW-UKRRQHHQSA-N 0 1 395.471 1.775 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC000820658426 606194949 /nfs/dbraw/zinc/19/49/49/606194949.db2.gz SGGYKIZRTWEOIW-UKRRQHHQSA-N 0 1 395.471 1.775 20 0 GDADMN Cc1nc([C@H]2CN(C(=O)N[C@@H](C)c3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000822414895 606198422 /nfs/dbraw/zinc/19/84/22/606198422.db2.gz ZLABXQZOSNHJGY-IINYFYTJSA-N 0 1 383.416 1.137 20 0 GDADMN Cc1nc([C@H]2CN(c3ccc(-c4nn[nH]n4)cc3C(F)(F)F)CCO2)n[nH]1 ZINC000822419808 606198803 /nfs/dbraw/zinc/19/88/03/606198803.db2.gz WZVQHELZVBEXIF-GFCCVEGCSA-N 0 1 380.334 1.890 20 0 GDADMN Cc1nc([C@@H]2CN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000822418886 606199140 /nfs/dbraw/zinc/19/91/40/606199140.db2.gz ICBFDTVISRYPMF-VIFPVBQESA-N 0 1 381.322 1.285 20 0 GDADMN NC(=O)[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822851462 606203231 /nfs/dbraw/zinc/20/32/31/606203231.db2.gz WWFMOAVUEUHFDY-RDJZCZTQSA-N 0 1 397.870 1.915 20 0 GDADMN CN(C)CCN(C)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000821584838 606238639 /nfs/dbraw/zinc/23/86/39/606238639.db2.gz UYXPAKJXWYMHAI-UHFFFAOYSA-N 0 1 378.380 1.068 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1-c1nn[nH]n1 ZINC000821977552 606256968 /nfs/dbraw/zinc/25/69/68/606256968.db2.gz HRYRIYXMIUXKPP-STQMWFEESA-N 0 1 384.421 1.077 20 0 GDADMN O=C(COc1ccc(-c2nn[nH]n2)cc1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000823036801 606289183 /nfs/dbraw/zinc/28/91/83/606289183.db2.gz MDTNTCYNQZIWPT-UHFFFAOYSA-N 0 1 381.371 1.620 20 0 GDADMN CN(C)[C@H](CNCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccco1 ZINC000821579634 606307719 /nfs/dbraw/zinc/30/77/19/606307719.db2.gz IVZCBVVKLPYADG-OAHLLOKOSA-N 0 1 390.469 1.126 20 0 GDADMN CCOc1ccc(CNCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821421609 606309112 /nfs/dbraw/zinc/30/91/12/606309112.db2.gz AKJXGRBSJBMYJT-UHFFFAOYSA-N 0 1 387.465 1.829 20 0 GDADMN CC[C@H]1CN([C@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000820995269 606320226 /nfs/dbraw/zinc/32/02/26/606320226.db2.gz OWQRULBMIARKQC-IRXDYDNUSA-N 0 1 388.472 1.123 20 0 GDADMN O=C1[C@H](N2CCCC3(CCOCC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503724 606331404 /nfs/dbraw/zinc/33/14/04/606331404.db2.gz HSGKPLOXRGBNAX-CQSZACIVSA-N 0 1 388.497 1.926 20 0 GDADMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821587312 606473676 /nfs/dbraw/zinc/47/36/76/606473676.db2.gz QSMABTLZYIFVOU-UHFFFAOYSA-N 0 1 392.510 1.681 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)cc1-c1nn[nH]n1 ZINC000821978715 606585096 /nfs/dbraw/zinc/58/50/96/606585096.db2.gz MGBVFYXTPWTIGC-MFKMUULPSA-N 0 1 392.485 1.870 20 0 GDADMN C[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820349824 606601265 /nfs/dbraw/zinc/60/12/65/606601265.db2.gz IXRCAKZISZEVAP-LSDHHAIUSA-N 0 1 385.472 1.291 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2nnc3cc(C)ccn32)cc1-c1nn[nH]n1 ZINC000821979602 606702277 /nfs/dbraw/zinc/70/22/77/606702277.db2.gz UIOQJSCBXIHTKX-UHFFFAOYSA-N 0 1 383.397 1.293 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000822542250 606750513 /nfs/dbraw/zinc/75/05/13/606750513.db2.gz WLDNBGBWPRCBTH-ZDUSSCGKSA-N 0 1 396.455 1.621 20 0 GDADMN COc1cc2c(cc1OC)CN(C[C@H](O)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000821727099 606844777 /nfs/dbraw/zinc/84/47/77/606844777.db2.gz BYDSKDBEPNBKFH-KRWDZBQOSA-N 0 1 381.436 1.976 20 0 GDADMN O=C(N1CCNCC1)N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000530225513 649968288 /nfs/dbraw/zinc/96/82/88/649968288.db2.gz ZYRUPKBTNKBPEN-UHFFFAOYSA-N 0 1 385.281 1.731 20 0 GDADMN COCc1nnc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000821696548 606873236 /nfs/dbraw/zinc/87/32/36/606873236.db2.gz HRKKHUJTXOTMOS-UHFFFAOYSA-N 0 1 386.485 1.577 20 0 GDADMN COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)CSc1c[nH]nn1 ZINC000821688388 606874432 /nfs/dbraw/zinc/87/44/32/606874432.db2.gz JFCMIZKAZCDKKA-UHFFFAOYSA-N 0 1 391.461 1.170 20 0 GDADMN COc1ccc(CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000821790051 606883000 /nfs/dbraw/zinc/88/30/00/606883000.db2.gz GJLUJBQVXIRELT-UHFFFAOYSA-N 0 1 395.391 1.675 20 0 GDADMN O=S(=O)(NCc1ccc(Cl)o1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578636 606885551 /nfs/dbraw/zinc/88/55/51/606885551.db2.gz QVENKMALHKVJCO-UHFFFAOYSA-N 0 1 375.744 1.870 20 0 GDADMN CC[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CCOCC1 ZINC000820926419 606893572 /nfs/dbraw/zinc/89/35/72/606893572.db2.gz SZLKNNIWJUTEEK-ZDUSSCGKSA-N 0 1 387.412 1.628 20 0 GDADMN CC1(C)[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H]2CCCO[C@@H]21 ZINC000820585895 606893736 /nfs/dbraw/zinc/89/37/36/606893736.db2.gz RDUKBHTUQMKOHV-FZZIBODNSA-N 0 1 399.423 1.627 20 0 GDADMN COC(=O)CCC(C)(C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821659959 606895758 /nfs/dbraw/zinc/89/57/58/606895758.db2.gz ADHWZQGDWXNKPZ-UHFFFAOYSA-N 0 1 389.384 1.155 20 0 GDADMN C[C@H]1C[C@H](NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CN1Cc1ccccc1 ZINC000820666465 606896737 /nfs/dbraw/zinc/89/67/37/606896737.db2.gz HZKOPPWIPCFIFM-YOEHRIQHSA-N 0 1 398.492 1.808 20 0 GDADMN O[C@H](C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683119 606900999 /nfs/dbraw/zinc/90/09/99/606900999.db2.gz YVCJDYZOVRCFNA-DLBZAZTESA-N 0 1 390.451 1.822 20 0 GDADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)CC(=O)NCc1ccccc1 ZINC000821600336 606928581 /nfs/dbraw/zinc/92/85/81/606928581.db2.gz IIGIZKARNPGCHQ-UHFFFAOYSA-N 0 1 380.452 1.884 20 0 GDADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)CC1CCCC1 ZINC000821585930 607003903 /nfs/dbraw/zinc/00/39/03/607003903.db2.gz AWIDMENTUBORQE-UHFFFAOYSA-N 0 1 392.529 1.750 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@@H](C)C(=O)OC(C)C)cc1-c1nn[nH]n1 ZINC000821970998 607144391 /nfs/dbraw/zinc/14/43/91/607144391.db2.gz VFENIHVZVPQNTB-QMMMGPOBSA-N 0 1 380.430 1.101 20 0 GDADMN CCOc1ccnc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3F)CC2)n1 ZINC000821438148 607150080 /nfs/dbraw/zinc/15/00/80/607150080.db2.gz UJVFVHCJWTZBGE-UHFFFAOYSA-N 0 1 398.446 1.907 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2nc(C3CC3)cs2)cc1-c1nn[nH]n1 ZINC000821978311 607159935 /nfs/dbraw/zinc/15/99/35/607159935.db2.gz LMMRRSINXXIYTL-UHFFFAOYSA-N 0 1 389.466 1.953 20 0 GDADMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000822200059 607167470 /nfs/dbraw/zinc/16/74/70/607167470.db2.gz SICFYCCWNIHZBQ-YVEFUNNKSA-N 0 1 380.456 1.614 20 0 GDADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000823161352 607192155 /nfs/dbraw/zinc/19/21/55/607192155.db2.gz NJTCDUXWYKAQHS-MOPGFXCFSA-N 0 1 392.463 1.480 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000823132056 607206733 /nfs/dbraw/zinc/20/67/33/607206733.db2.gz XJFKOMDUEUUWGJ-UHFFFAOYSA-N 0 1 387.835 1.741 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000823131671 607207797 /nfs/dbraw/zinc/20/77/97/607207797.db2.gz LRYVPALJBCSRTC-UHFFFAOYSA-N 0 1 377.368 1.629 20 0 GDADMN COc1ccccc1C1(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)CCCC1 ZINC000821890310 607209463 /nfs/dbraw/zinc/20/94/63/607209463.db2.gz LSRCASKLHJGXNC-UHFFFAOYSA-N 0 1 382.428 1.095 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(COc2ccccc2)c1 ZINC000823135938 607209842 /nfs/dbraw/zinc/20/98/42/607209842.db2.gz BGCPXDAJCMHPJO-UHFFFAOYSA-N 0 1 376.380 1.676 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000823123056 607211556 /nfs/dbraw/zinc/21/15/56/607211556.db2.gz MDXFKEPCBTWBAR-UHFFFAOYSA-N 0 1 377.412 1.346 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccccc1Sc1ccccc1 ZINC000823131977 607215544 /nfs/dbraw/zinc/21/55/44/607215544.db2.gz SZKZLESIGTURLW-UHFFFAOYSA-N 0 1 392.448 1.926 20 0 GDADMN Cc1ccccc1C1CC(N(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C2CC2)C1 ZINC000822352349 607219794 /nfs/dbraw/zinc/21/97/94/607219794.db2.gz XNXKJENRGWDAGO-UHFFFAOYSA-N 0 1 378.440 1.704 20 0 GDADMN CC[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(C(F)(F)F)cs1 ZINC000820915702 607220905 /nfs/dbraw/zinc/22/09/05/607220905.db2.gz WQRHZSVOUVWOPN-LURJTMIESA-N 0 1 387.351 1.201 20 0 GDADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(OCC2CC2)c(F)c1 ZINC000820333384 607223620 /nfs/dbraw/zinc/22/36/20/607223620.db2.gz AJZZTIAZFWISHZ-JTQLQIEISA-N 0 1 386.391 1.264 20 0 GDADMN Cc1cc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000826266978 607814755 /nfs/dbraw/zinc/81/47/55/607814755.db2.gz KKTRWGSFRJMVFV-UHFFFAOYSA-N 0 1 375.429 1.878 20 0 GDADMN O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488207 607818757 /nfs/dbraw/zinc/81/87/57/607818757.db2.gz KNNVPTZLGYHEFQ-CUOATXAZSA-N 0 1 397.407 1.381 20 0 GDADMN CCN1CCN(C(=O)CCCOc2ccc(-c3nn[nH]n3)cc2OC)C[C@H]1C ZINC000825458247 607824548 /nfs/dbraw/zinc/82/45/48/607824548.db2.gz BDMAREMXZJGNAI-CQSZACIVSA-N 0 1 388.472 1.587 20 0 GDADMN Fc1cc(F)c2ncc(-c3nn[nH]n3)c(N3CCN([C@@H]4CCOC4)CC3)c2c1 ZINC000826372610 607848907 /nfs/dbraw/zinc/84/89/07/607848907.db2.gz FHNAXBXWNTVXMQ-GFCCVEGCSA-N 0 1 387.394 1.604 20 0 GDADMN Cc1ccccc1[C@H](OC[C@@H](O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000826305667 607869132 /nfs/dbraw/zinc/86/91/32/607869132.db2.gz FAKQKBNKAUJYMU-FUHWJXTLSA-N 0 1 391.435 1.934 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1-c1nn[nH]n1 ZINC000826229987 607870173 /nfs/dbraw/zinc/87/01/73/607870173.db2.gz ZGNFGIUHPSYXGM-ZANVPECISA-N 0 1 398.448 1.984 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]3COCC[C@@H]32)cc1-c1nn[nH]n1 ZINC000826229915 607928733 /nfs/dbraw/zinc/92/87/33/607928733.db2.gz WRTFMQRIPBRUOC-CABZTGNLSA-N 0 1 376.442 1.330 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]3COCC[C@H]32)cc1-c1nn[nH]n1 ZINC000826229916 607928786 /nfs/dbraw/zinc/92/87/86/607928786.db2.gz WRTFMQRIPBRUOC-JOYOIKCWSA-N 0 1 376.442 1.330 20 0 GDADMN Cn1ccnc1[C@H]1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826363925 607959014 /nfs/dbraw/zinc/95/90/14/607959014.db2.gz GBSVFCJAGWGGQG-HOCLYGCPSA-N 0 1 378.440 1.195 20 0 GDADMN Brc1cc(-c2nn[nH]n2)ccc1N1CC[C@H](CN2CCOCC2)C1 ZINC000823826098 607990799 /nfs/dbraw/zinc/99/07/99/607990799.db2.gz CIEYONUAOKLTHA-GFCCVEGCSA-N 0 1 393.289 1.788 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccncc3)on2)c1-c1nnn[n-]1 ZINC000826077888 608020475 /nfs/dbraw/zinc/02/04/75/608020475.db2.gz YTMVFPFECABFNM-UHFFFAOYSA-N 0 1 394.399 1.044 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccncc3)on2)c1-c1nn[n-]n1 ZINC000826077888 608020476 /nfs/dbraw/zinc/02/04/76/608020476.db2.gz YTMVFPFECABFNM-UHFFFAOYSA-N 0 1 394.399 1.044 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCCC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826077673 608020508 /nfs/dbraw/zinc/02/05/08/608020508.db2.gz QFSAKNUOVSVHRZ-AAEUAGOBSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCCC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826077673 608020509 /nfs/dbraw/zinc/02/05/09/608020509.db2.gz QFSAKNUOVSVHRZ-AAEUAGOBSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccccn3)no2)c1-c1nnn[n-]1 ZINC000826077392 608020517 /nfs/dbraw/zinc/02/05/17/608020517.db2.gz GUASFHGRZJFIPP-UHFFFAOYSA-N 0 1 394.399 1.044 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccccn3)no2)c1-c1nn[n-]n1 ZINC000826077392 608020518 /nfs/dbraw/zinc/02/05/18/608020518.db2.gz GUASFHGRZJFIPP-UHFFFAOYSA-N 0 1 394.399 1.044 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)c1-c1nnn[n-]1 ZINC000826077675 608020670 /nfs/dbraw/zinc/02/06/70/608020670.db2.gz QFSAKNUOVSVHRZ-WCQYABFASA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826077675 608020671 /nfs/dbraw/zinc/02/06/71/608020671.db2.gz QFSAKNUOVSVHRZ-WCQYABFASA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccc(F)cc3)CC2)c1-c1nnn[n-]1 ZINC000826073341 608020974 /nfs/dbraw/zinc/02/09/74/608020974.db2.gz OQDOXYYRFUUWII-UHFFFAOYSA-N 0 1 384.419 1.551 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccc(F)cc3)CC2)c1-c1nn[n-]n1 ZINC000826073341 608020975 /nfs/dbraw/zinc/02/09/75/608020975.db2.gz OQDOXYYRFUUWII-UHFFFAOYSA-N 0 1 384.419 1.551 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc3ccccc32)c1-c1nnn[n-]1 ZINC000826083082 608021034 /nfs/dbraw/zinc/02/10/34/608021034.db2.gz ICYUCYOLHINJTR-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc3ccccc32)c1-c1nn[n-]n1 ZINC000826083082 608021035 /nfs/dbraw/zinc/02/10/35/608021035.db2.gz ICYUCYOLHINJTR-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc3ccccc32)c1-c1nnn[n-]1 ZINC000826084295 608021073 /nfs/dbraw/zinc/02/10/73/608021073.db2.gz YBNAFNUPYJCZHW-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc3ccccc32)c1-c1nn[n-]n1 ZINC000826084295 608021074 /nfs/dbraw/zinc/02/10/74/608021074.db2.gz YBNAFNUPYJCZHW-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC(C)C)nc2)c1-c1nnn[n-]1 ZINC000826083059 608021575 /nfs/dbraw/zinc/02/15/75/608021575.db2.gz HQZRZJCMIRSSNT-UHFFFAOYSA-N 0 1 385.432 1.176 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC(C)C)nc2)c1-c1nn[n-]n1 ZINC000826083059 608021576 /nfs/dbraw/zinc/02/15/76/608021576.db2.gz HQZRZJCMIRSSNT-UHFFFAOYSA-N 0 1 385.432 1.176 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2coc(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826083063 608022414 /nfs/dbraw/zinc/02/24/14/608022414.db2.gz HSUNDSMZBRCWBB-UHFFFAOYSA-N 0 1 393.411 1.649 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2coc(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826083063 608022415 /nfs/dbraw/zinc/02/24/15/608022415.db2.gz HSUNDSMZBRCWBB-UHFFFAOYSA-N 0 1 393.411 1.649 20 0 GDADMN C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1ccc[nH]1 ZINC000824491570 608024169 /nfs/dbraw/zinc/02/41/69/608024169.db2.gz VAOQYEVEHFDZTB-NSHDSACASA-N 0 1 397.443 1.653 20 0 GDADMN CCc1cc(CNC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC000825700445 608063542 /nfs/dbraw/zinc/06/35/42/608063542.db2.gz FWNPZMWFXOOOOL-INIZCTEOSA-N 0 1 382.428 1.435 20 0 GDADMN CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825486835 608127398 /nfs/dbraw/zinc/12/73/98/608127398.db2.gz ZUUNFCGFDJVPPP-HTQZYQBOSA-N 0 1 389.384 1.011 20 0 GDADMN CC1([C@H]2CCCN([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)OCCO1 ZINC000824818028 608132265 /nfs/dbraw/zinc/13/22/65/608132265.db2.gz QWPJEHPMJZAXAP-DOTOQJQBSA-N 0 1 398.467 1.447 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(-c3nn[nH]n3)cc2)CCC1=O ZINC000824865463 608219024 /nfs/dbraw/zinc/21/90/24/608219024.db2.gz IRPQUGAHCMIQEN-PBHICJAKSA-N 0 1 384.484 1.762 20 0 GDADMN CC(C)N(CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824289325 608253522 /nfs/dbraw/zinc/25/35/22/608253522.db2.gz ZODJAKXONJKDRB-SFHVURJKSA-N 0 1 384.484 1.715 20 0 GDADMN CC[C@H]1CN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)CCN1CC(F)F ZINC000825210865 608257112 /nfs/dbraw/zinc/25/71/12/608257112.db2.gz JVPBPQYDMYNATK-ZDUSSCGKSA-N 0 1 393.442 1.857 20 0 GDADMN CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1-c1nn[nH]n1 ZINC000826231303 608276885 /nfs/dbraw/zinc/27/68/85/608276885.db2.gz GCSMKQUODHDAAT-SNVBAGLBSA-N 0 1 396.480 1.871 20 0 GDADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)cc1 ZINC000826090580 608284652 /nfs/dbraw/zinc/28/46/52/608284652.db2.gz JHALEGKCGNUWKY-NSHDSACASA-N 0 1 390.444 1.765 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1-c1nn[n-]n1 ZINC000826332141 608314769 /nfs/dbraw/zinc/31/47/69/608314769.db2.gz LCKAVNNPFVMQHS-UHFFFAOYSA-N 0 1 392.467 1.463 20 0 GDADMN CCOc1cncc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000825659033 608365067 /nfs/dbraw/zinc/36/50/67/608365067.db2.gz MZPQVUUCVCVFNG-UHFFFAOYSA-N 0 1 383.416 1.247 20 0 GDADMN CC(C)(O)C(C)(C)[NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824166933 608381699 /nfs/dbraw/zinc/38/16/99/608381699.db2.gz MPZXABSQQAFLON-UHFFFAOYSA-N 0 1 384.444 1.130 20 0 GDADMN COCc1ccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc1 ZINC000826164921 608394143 /nfs/dbraw/zinc/39/41/43/608394143.db2.gz XEGYJNIYKQAZPR-UHFFFAOYSA-N 0 1 388.453 1.880 20 0 GDADMN C[C@@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCCO2 ZINC000824564798 608425438 /nfs/dbraw/zinc/42/54/38/608425438.db2.gz VZMQHUVRVFRWIZ-CYBMUJFWSA-N 0 1 394.435 1.605 20 0 GDADMN C[C@@H](NC(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCCC1 ZINC000824478903 608466062 /nfs/dbraw/zinc/46/60/62/608466062.db2.gz JSJKKUIGVBRSKQ-ZIAGYGMSSA-N 0 1 385.472 1.035 20 0 GDADMN CCNC(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825476191 608468239 /nfs/dbraw/zinc/46/82/39/608468239.db2.gz BRKKLAJIRYTSLF-CYBMUJFWSA-N 0 1 393.451 1.906 20 0 GDADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2cccc(-c3nn[nH]n3)c2F)cc1 ZINC000826090954 608473456 /nfs/dbraw/zinc/47/34/56/608473456.db2.gz RZBROIJOELEJAP-NSHDSACASA-N 0 1 390.444 1.765 20 0 GDADMN C[C@H](NCc1ccnc(-c2nn[nH]n2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824626062 608478883 /nfs/dbraw/zinc/47/88/83/608478883.db2.gz LRHLJXHELFZREQ-LBPRGKRZSA-N 0 1 387.469 1.363 20 0 GDADMN C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824617868 608487453 /nfs/dbraw/zinc/48/74/53/608487453.db2.gz KKFPFCNHMCWGNH-CYBMUJFWSA-N 0 1 386.481 1.968 20 0 GDADMN CNS(=O)(=O)c1cccc(CN[C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826091155 608503931 /nfs/dbraw/zinc/50/39/31/608503931.db2.gz XCAHQEGQHYILHC-GOSISDBHSA-N 0 1 398.492 1.942 20 0 GDADMN O=C(c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000826468682 608554628 /nfs/dbraw/zinc/55/46/28/608554628.db2.gz CSEMVFFZVDZVJP-ZETCQYMHSA-N 0 1 394.226 1.706 20 0 GDADMN COC(=O)C1=C(C)O[C@H](Cn2cc(-c3nn[nH]n3)c(=O)c3nc(C)ccc32)C1 ZINC000826129339 608582673 /nfs/dbraw/zinc/58/26/73/608582673.db2.gz PIPWOJIAPDMNIV-NSHDSACASA-N 0 1 382.380 1.121 20 0 GDADMN c1nc2cnccn2c1CN1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826522094 608585237 /nfs/dbraw/zinc/58/52/37/608585237.db2.gz LWPRCJZVRYIMGH-UHFFFAOYSA-N 0 1 375.440 1.622 20 0 GDADMN C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C[C@H]1O ZINC000824969818 608586042 /nfs/dbraw/zinc/58/60/42/608586042.db2.gz VBDOSXSFWDCJIC-NTZNESFSSA-N 0 1 390.513 1.694 20 0 GDADMN C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)C[C@H]1O ZINC000824969818 608586043 /nfs/dbraw/zinc/58/60/43/608586043.db2.gz VBDOSXSFWDCJIC-NTZNESFSSA-N 0 1 390.513 1.694 20 0 GDADMN C[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)[C@H](C)CN1C ZINC000824967415 608594131 /nfs/dbraw/zinc/59/41/31/608594131.db2.gz JNXOBTJNNJCZAG-ZIAGYGMSSA-N 0 1 385.472 1.527 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000824999760 608840111 /nfs/dbraw/zinc/84/01/11/608840111.db2.gz JJYGRRORJKFPBW-OIISXLGYSA-N 0 1 376.468 1.971 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000824999760 608840113 /nfs/dbraw/zinc/84/01/13/608840113.db2.gz JJYGRRORJKFPBW-OIISXLGYSA-N 0 1 376.468 1.971 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000824999760 608840114 /nfs/dbraw/zinc/84/01/14/608840114.db2.gz JJYGRRORJKFPBW-OIISXLGYSA-N 0 1 376.468 1.971 20 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C[C@H]1CN(C(=O)c2ccn(C)c2)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571265411 945509773 /nfs/dbraw/zinc/50/97/73/945509773.db2.gz JVRDERUGNBIEFD-SWLSCSKDSA-N 0 1 385.497 1.907 20 0 GDADMN C[C@H]1CN(C(=O)c2ccn(C)c2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571265411 945509783 /nfs/dbraw/zinc/50/97/83/945509783.db2.gz JVRDERUGNBIEFD-SWLSCSKDSA-N 0 1 385.497 1.907 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001571266349 945539402 /nfs/dbraw/zinc/53/94/02/945539402.db2.gz ZYIPOJSKFWRSLS-NTSWFWBYSA-N 0 1 385.837 1.828 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1Cc1cnc(C)s1 ZINC001571271970 945655064 /nfs/dbraw/zinc/65/50/64/945655064.db2.gz NFIFAXAJFBMVGV-DZGCQCFKSA-N 0 1 386.485 1.743 20 0 GDADMN CCn1nccc1C(=O)N[C@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272342 945659504 /nfs/dbraw/zinc/65/95/04/945659504.db2.gz SEGXPCSMQSCJHG-LLVKDONJSA-N 0 1 386.485 1.395 20 0 GDADMN Cc1nn(C)cc1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571272534 945665349 /nfs/dbraw/zinc/66/53/49/945665349.db2.gz VSVVZLODSPUVDF-UHFFFAOYSA-N 0 1 386.485 1.365 20 0 GDADMN Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)[C@H](C)C2)n1 ZINC001571272540 945665983 /nfs/dbraw/zinc/66/59/83/945665983.db2.gz VWYKEVUMDJVSTB-NEPJUHHUSA-N 0 1 386.485 1.743 20 0 GDADMN Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)[C@H](C)C2)n1 ZINC001571272540 945665988 /nfs/dbraw/zinc/66/59/88/945665988.db2.gz VWYKEVUMDJVSTB-NEPJUHHUSA-N 0 1 386.485 1.743 20 0 GDADMN CCOC(=O)[C@H](CC)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000821313125 945668995 /nfs/dbraw/zinc/66/89/95/945668995.db2.gz AMDCVKKGRGBWKJ-LBPRGKRZSA-N 0 1 375.433 1.196 20 0 GDADMN Cc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC001571272689 945669149 /nfs/dbraw/zinc/66/91/49/945669149.db2.gz YGYDOWSVZNBHMQ-SMDDNHRTSA-N 0 1 386.485 1.363 20 0 GDADMN Cc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC001571272689 945669153 /nfs/dbraw/zinc/66/91/53/945669153.db2.gz YGYDOWSVZNBHMQ-SMDDNHRTSA-N 0 1 386.485 1.363 20 0 GDADMN Cn1ncc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1Cl ZINC001571274619 945698595 /nfs/dbraw/zinc/69/85/95/945698595.db2.gz JBUAMHRBZHEDEP-ZDUSSCGKSA-N 0 1 386.847 1.258 20 0 GDADMN O=C(Cn1cc(Cl)cn1)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571275136 945703247 /nfs/dbraw/zinc/70/32/47/945703247.db2.gz QCUXRIXURGSORZ-OAHLLOKOSA-N 0 1 386.847 1.107 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001571278494 945754108 /nfs/dbraw/zinc/75/41/08/945754108.db2.gz OGJSPKXPBGODEO-LPHOPBHVSA-N 0 1 386.456 1.135 20 0 GDADMN Cc1nnsc1CN1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571281655 945808920 /nfs/dbraw/zinc/80/89/20/945808920.db2.gz KUMFBUHKOCOQMJ-NSHDSACASA-N 0 1 387.473 1.139 20 0 GDADMN Cc1ncc(CC(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@@H](C)C2)o1 ZINC001571282196 945832679 /nfs/dbraw/zinc/83/26/79/945832679.db2.gz UFGGIGHMPHIHNI-HZMBPMFUSA-N 0 1 387.469 1.404 20 0 GDADMN Cc1ncc(CC(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@@H](C)C2)o1 ZINC001571282196 945832688 /nfs/dbraw/zinc/83/26/88/945832688.db2.gz UFGGIGHMPHIHNI-HZMBPMFUSA-N 0 1 387.469 1.404 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(F)s1 ZINC001571286679 945956256 /nfs/dbraw/zinc/95/62/56/945956256.db2.gz ONRCLLDQDRYTCV-UWVGGRQHSA-N 0 1 388.432 1.384 20 0 GDADMN O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1occc1Cl ZINC001571290373 946038842 /nfs/dbraw/zinc/03/88/42/946038842.db2.gz CJNZMDVOUMREDE-VHSXEESVSA-N 0 1 388.819 1.478 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571290520 946045255 /nfs/dbraw/zinc/04/52/55/946045255.db2.gz HXIORFAGUATWMK-ZJUUUORDSA-N 0 1 388.819 1.288 20 0 GDADMN O=S1(=O)C[C@H](CNCc2ccc(-c3nn[nH]n3)c(F)c2)Oc2ccccc21 ZINC001571292458 946095699 /nfs/dbraw/zinc/09/56/99/946095699.db2.gz ZTCYNLBNVHGWOF-LBPRGKRZSA-N 0 1 389.412 1.330 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCc2cccnc21 ZINC001571294946 946150595 /nfs/dbraw/zinc/15/05/95/946150595.db2.gz MRVMSEATZXWSCB-QZTJIDSGSA-N 0 1 389.463 1.682 20 0 GDADMN O=C(Cc1cccc(C2CC2)c1)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571297836 946199163 /nfs/dbraw/zinc/19/91/63/946199163.db2.gz AVWNTUJFBUKAKE-MRXNPFEDSA-N 0 1 390.451 1.472 20 0 GDADMN CN1CCC[C@@H]1C(=O)NC1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001571298742 946228333 /nfs/dbraw/zinc/22/83/33/946228333.db2.gz CVCBPNQORWNHJN-CQSZACIVSA-N 0 1 390.879 1.094 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000325428346 971214390 /nfs/dbraw/zinc/21/43/90/971214390.db2.gz YUPMEIQSDXDCEF-MWLCHTKSSA-N 0 1 376.862 1.808 20 0 GDADMN C[C@H]1C[C@@H]1C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571298818 946231507 /nfs/dbraw/zinc/23/15/07/946231507.db2.gz KWQQVLDSPJANHD-LRDDRELGSA-N 0 1 390.451 1.492 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc(C2CC2)nc1 ZINC001571298959 946236616 /nfs/dbraw/zinc/23/66/16/946236616.db2.gz SDEVKMXSVSMADZ-QGZVFWFLSA-N 0 1 390.451 1.538 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001571299107 946240176 /nfs/dbraw/zinc/24/01/76/946240176.db2.gz IPTSNAJATWYUQD-UMVBOHGHSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001571299107 946240194 /nfs/dbraw/zinc/24/01/94/946240194.db2.gz IPTSNAJATWYUQD-UMVBOHGHSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001571299107 946240207 /nfs/dbraw/zinc/24/02/07/946240207.db2.gz IPTSNAJATWYUQD-UMVBOHGHSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001571299107 946240219 /nfs/dbraw/zinc/24/02/19/946240219.db2.gz IPTSNAJATWYUQD-UMVBOHGHSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001571299380 946247575 /nfs/dbraw/zinc/24/75/75/946247575.db2.gz LXBKHPNWTONAEH-PWNZVWSESA-N 0 1 390.513 1.728 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001571299380 946247583 /nfs/dbraw/zinc/24/75/83/946247583.db2.gz LXBKHPNWTONAEH-PWNZVWSESA-N 0 1 390.513 1.728 20 0 GDADMN CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299371 946249896 /nfs/dbraw/zinc/24/98/96/946249896.db2.gz LRWXKYVHQBPBSS-UMVBOHGHSA-N 0 1 390.513 1.681 20 0 GDADMN CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299371 946249907 /nfs/dbraw/zinc/24/99/07/946249907.db2.gz LRWXKYVHQBPBSS-UMVBOHGHSA-N 0 1 390.513 1.681 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3COc4ccccc43)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302932 946317408 /nfs/dbraw/zinc/31/74/08/946317408.db2.gz DSKRYSYDRCYBHF-CJNGLKHVSA-N 0 1 391.435 1.181 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3ccc4c(c3)COC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302996 946321745 /nfs/dbraw/zinc/32/17/45/946321745.db2.gz GXWWPPHYBDGEKZ-MRXNPFEDSA-N 0 1 391.435 1.349 20 0 GDADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000823132074 946326909 /nfs/dbraw/zinc/32/69/09/946326909.db2.gz YLMZCUDCNTZOBO-UHFFFAOYSA-N 0 1 395.471 1.151 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001571303596 946341557 /nfs/dbraw/zinc/34/15/57/946341557.db2.gz NXDFQMJOOYXBLL-YUELXQCFSA-N 0 1 391.439 1.035 20 0 GDADMN O=C(c1cccnn1)N1CCC2(C1)CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571303699 946345181 /nfs/dbraw/zinc/34/51/81/946345181.db2.gz VRVHXRRSRDVEAO-UHFFFAOYSA-N 0 1 391.439 1.184 20 0 GDADMN C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571305535 946366566 /nfs/dbraw/zinc/36/65/66/946366566.db2.gz DMPJGMQXFGRNHD-VXNVDRBHSA-N 0 1 391.848 1.339 20 0 GDADMN O=C(Nc1ccc(F)nc1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000823345777 946413967 /nfs/dbraw/zinc/41/39/67/946413967.db2.gz DZWJGJHPMPBTEU-UHFFFAOYSA-N 0 1 399.390 1.620 20 0 GDADMN C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571313234 946515532 /nfs/dbraw/zinc/51/55/32/946515532.db2.gz KPCWQFOZXXXOCZ-HOCLYGCPSA-N 0 1 392.467 1.360 20 0 GDADMN CCc1ccc([C@H](C)C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001571313457 946523022 /nfs/dbraw/zinc/52/30/22/946523022.db2.gz OPHSZAGORXGLNC-AWEZNQCLSA-N 0 1 392.467 1.671 20 0 GDADMN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cccc(C)c3-c3nn[nH]n3)cc21 ZINC000823989150 946532757 /nfs/dbraw/zinc/53/27/57/946532757.db2.gz NTHPXGOJLKXYJS-UHFFFAOYSA-N 0 1 398.448 1.885 20 0 GDADMN CCc1ccc(CC(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)nc1 ZINC001571314033 946539339 /nfs/dbraw/zinc/53/93/39/946539339.db2.gz YYGKBAHDXSKJGF-CJNGLKHVSA-N 0 1 392.467 1.285 20 0 GDADMN C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571313997 946540015 /nfs/dbraw/zinc/54/00/15/946540015.db2.gz YPLUPFUHRCTBLO-CABCVRRESA-N 0 1 392.467 1.218 20 0 GDADMN Cc1cc(N2C[C@@H]3CN(C(=O)c4cccn4C)C[C@]3(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316183 946568698 /nfs/dbraw/zinc/56/86/98/946568698.db2.gz VQEZGVGDKWFAOW-VLIAUNLRSA-N 0 1 392.467 1.507 20 0 GDADMN Cc1ccnc(C(=O)N[C@@H]2CC[C@@H](C)N(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316468 946576736 /nfs/dbraw/zinc/57/67/36/946576736.db2.gz DAVCIUKMPPLAKH-RHSMWYFYSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cnc(C(=O)N[C@@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c(C)c1 ZINC001571316921 946592457 /nfs/dbraw/zinc/59/24/57/946592457.db2.gz QBIZVSVQDUWBNX-FQEVSTJZSA-N 0 1 392.467 1.981 20 0 GDADMN O=C(NC[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCn2ccnc2C1 ZINC001571317150 946602369 /nfs/dbraw/zinc/60/23/69/946602369.db2.gz WREMTJZSCFGCLI-GDBMZVCRSA-N 0 1 392.467 1.016 20 0 GDADMN Cc1ccc(CNCc2ccc(Cl)c(S(N)(=O)=O)c2)cc1-c1nn[nH]n1 ZINC001571317395 946608937 /nfs/dbraw/zinc/60/89/37/946608937.db2.gz FYYKXCRWPMJPKB-UHFFFAOYSA-N 0 1 392.872 1.766 20 0 GDADMN Cc1nsc(NC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1-c1nn[n-]n1 ZINC001571317778 946620536 /nfs/dbraw/zinc/62/05/36/946620536.db2.gz VRCUGXSRHNQJNG-AWEZNQCLSA-N 0 1 392.533 1.621 20 0 GDADMN O=C(NC[C@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cc[nH]c1 ZINC001571317929 946623199 /nfs/dbraw/zinc/62/31/99/946623199.db2.gz YYZVBONUQPUBDT-SECBINFHSA-N 0 1 392.876 1.951 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ncc2n1CCCC2 ZINC001571317953 946623912 /nfs/dbraw/zinc/62/39/12/946623912.db2.gz ZXMQPQUOLSVZSV-MRXNPFEDSA-N 0 1 392.467 1.404 20 0 GDADMN Brc1ccc(-c2nn[nH]n2)c(NCc2nnc([C@@H]3CCOC3)[nH]2)c1 ZINC001573280261 946656967 /nfs/dbraw/zinc/65/69/67/946656967.db2.gz RUFLHEUFJGHVGV-MRVPVSSYSA-N 0 1 391.233 1.863 20 0 GDADMN C[C@@H](CN1CCOCC1)C(=O)NCCSCc1ccccc1-c1nn[nH]n1 ZINC000824412839 946692514 /nfs/dbraw/zinc/69/25/14/946692514.db2.gz GUVMWKQZQDGZEO-AWEZNQCLSA-N 0 1 390.513 1.184 20 0 GDADMN C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000824859280 946952948 /nfs/dbraw/zinc/95/29/48/946952948.db2.gz PJMBWYXMKJUZCB-KSSFIOAISA-N 0 1 384.484 1.762 20 0 GDADMN CCC[C@@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1)c1nn[nH]n1 ZINC000825242049 947130694 /nfs/dbraw/zinc/13/06/94/947130694.db2.gz GXIBNDLHSZKXOV-CYBMUJFWSA-N 0 1 393.415 1.145 20 0 GDADMN CCCC[N@H+](C)CC1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825282184 947141159 /nfs/dbraw/zinc/14/11/59/947141159.db2.gz PUUYOURRCXBPQY-UHFFFAOYSA-N 0 1 375.477 1.676 20 0 GDADMN CCCC[N@@H+](C)CC1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825282184 947141170 /nfs/dbraw/zinc/14/11/70/947141170.db2.gz PUUYOURRCXBPQY-UHFFFAOYSA-N 0 1 375.477 1.676 20 0 GDADMN CCCC[N@H+](C)CC1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825282184 947141180 /nfs/dbraw/zinc/14/11/80/947141180.db2.gz PUUYOURRCXBPQY-UHFFFAOYSA-N 0 1 375.477 1.676 20 0 GDADMN CCCC[N@@H+](C)CC1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825282184 947141189 /nfs/dbraw/zinc/14/11/89/947141189.db2.gz PUUYOURRCXBPQY-UHFFFAOYSA-N 0 1 375.477 1.676 20 0 GDADMN C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573591472 947313611 /nfs/dbraw/zinc/31/36/11/947313611.db2.gz BTPQOKMJYWEBFJ-CYBMUJFWSA-N 0 1 383.460 1.038 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573593012 947358814 /nfs/dbraw/zinc/35/88/14/947358814.db2.gz HNIXWFRLTWDXMY-WFASDCNBSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573593694 947375801 /nfs/dbraw/zinc/37/58/01/947375801.db2.gz UVGNEIUMRKIQLP-WFASDCNBSA-N 0 1 390.463 1.303 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573593694 947375816 /nfs/dbraw/zinc/37/58/16/947375816.db2.gz UVGNEIUMRKIQLP-WFASDCNBSA-N 0 1 390.463 1.303 20 0 GDADMN C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573614394 947582675 /nfs/dbraw/zinc/58/26/75/947582675.db2.gz DWKOGBATHDNGEM-CYBMUJFWSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573617852 947643944 /nfs/dbraw/zinc/64/39/44/947643944.db2.gz PTGMGAOSMCVXGE-GFCCVEGCSA-N 0 1 382.428 1.268 20 0 GDADMN COc1ccnc(N2CCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)c1 ZINC000826220981 947655491 /nfs/dbraw/zinc/65/54/91/947655491.db2.gz JJCLRWDIPACKNV-UHFFFAOYSA-N 0 1 377.412 1.245 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cnn(C)c1 ZINC001573625979 947704508 /nfs/dbraw/zinc/70/45/08/947704508.db2.gz RBNOIQHDWWSREI-WCQYABFASA-N 0 1 386.485 1.156 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001573625979 947704514 /nfs/dbraw/zinc/70/45/14/947704514.db2.gz RBNOIQHDWWSREI-WCQYABFASA-N 0 1 386.485 1.156 20 0 GDADMN C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1cccs1 ZINC001573626273 947707078 /nfs/dbraw/zinc/70/70/78/947707078.db2.gz SJYWXLIQQZQICN-NSHDSACASA-N 0 1 384.469 1.347 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573627642 947729679 /nfs/dbraw/zinc/72/96/79/947729679.db2.gz DDVGRWIJGHXKDH-VHSXEESVSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573628207 947747571 /nfs/dbraw/zinc/74/75/71/947747571.db2.gz GJRJGNYZZFRRLF-MNOVXSKESA-N 0 1 380.403 1.020 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573369864 947778727 /nfs/dbraw/zinc/77/87/27/947778727.db2.gz YPDJEAOYAUFIFU-LJQANCHMSA-N 0 1 385.472 1.402 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001573373122 947789040 /nfs/dbraw/zinc/78/90/40/947789040.db2.gz AZSQRGRGCOWDAB-CVEARBPZSA-N 0 1 383.456 1.282 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573373949 947802043 /nfs/dbraw/zinc/80/20/43/947802043.db2.gz HFWCQXLUAZKSPP-HNNXBMFYSA-N 0 1 385.472 1.805 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001573376182 947832667 /nfs/dbraw/zinc/83/26/67/947832667.db2.gz SQVBDAXPPLAWDC-GOEBONIOSA-N 0 1 385.472 1.803 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573378291 947855340 /nfs/dbraw/zinc/85/53/40/947855340.db2.gz YHVQGVZDAHOAFW-KBPBESRZSA-N 0 1 386.460 1.137 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)(C)C ZINC001573644072 947867017 /nfs/dbraw/zinc/86/70/17/947867017.db2.gz XTFJOHBFTNCDCT-QWHCGFSZSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)(C)C ZINC001573644072 947867025 /nfs/dbraw/zinc/86/70/25/947867025.db2.gz XTFJOHBFTNCDCT-QWHCGFSZSA-N 0 1 392.529 1.927 20 0 GDADMN CC(=O)CCCC(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573381000 947868801 /nfs/dbraw/zinc/86/88/01/947868801.db2.gz MSNWYQVILUAQDX-UHFFFAOYSA-N 0 1 386.460 1.139 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573647048 947883013 /nfs/dbraw/zinc/88/30/13/947883013.db2.gz BBDBCTRYVPSZRV-YRVVQQKDSA-N 0 1 398.515 1.801 20 0 GDADMN C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573655730 947980411 /nfs/dbraw/zinc/98/04/11/947980411.db2.gz YOVJBJQNALASGD-IUCAKERBSA-N 0 1 386.382 1.220 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573656365 947988315 /nfs/dbraw/zinc/98/83/15/947988315.db2.gz FJFFKIJLWBPYLY-CYBMUJFWSA-N 0 1 381.444 1.195 20 0 GDADMN Cc1onc(CC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343403 947990370 /nfs/dbraw/zinc/99/03/70/947990370.db2.gz ZHEMUBCDTBOUDJ-MRXNPFEDSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343403 947990375 /nfs/dbraw/zinc/99/03/75/947990375.db2.gz ZHEMUBCDTBOUDJ-MRXNPFEDSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1-c1nn[n-]n1 ZINC000826343545 947993880 /nfs/dbraw/zinc/99/38/80/947993880.db2.gz FSQHXAGXPXFSSB-LBPRGKRZSA-N 0 1 383.412 1.061 20 0 GDADMN Cc1onc(CC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1-c1nnn[n-]1 ZINC000826343668 947995913 /nfs/dbraw/zinc/99/59/13/947995913.db2.gz JOENNPMQGJNCAD-UHFFFAOYSA-N 0 1 397.483 1.729 20 0 GDADMN Cc1onc(CC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1-c1nn[n-]n1 ZINC000826343668 947995917 /nfs/dbraw/zinc/99/59/17/947995917.db2.gz JOENNPMQGJNCAD-UHFFFAOYSA-N 0 1 397.483 1.729 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573659470 948016596 /nfs/dbraw/zinc/01/65/96/948016596.db2.gz WFTUBRXUVHMJHV-LBPRGKRZSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573670688 948104248 /nfs/dbraw/zinc/10/42/48/948104248.db2.gz CVKZTXJLMXQBKG-GUYCJALGSA-N 0 1 380.456 1.094 20 0 GDADMN CC(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)=C1CCC1 ZINC001573671400 948108261 /nfs/dbraw/zinc/10/82/61/948108261.db2.gz GAXWOUHYJJIKJV-AWEZNQCLSA-N 0 1 382.472 1.878 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1)[C@H]1CCCO1 ZINC001573690831 948230596 /nfs/dbraw/zinc/23/05/96/948230596.db2.gz BXOVFMMEAYAULM-GXTWGEPZSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1)[C@H]1CCCO1 ZINC001573690831 948230607 /nfs/dbraw/zinc/23/06/07/948230607.db2.gz BXOVFMMEAYAULM-GXTWGEPZSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccc(F)c1 ZINC001573692112 948256841 /nfs/dbraw/zinc/25/68/41/948256841.db2.gz LSTAINKLRPZOPV-LBPRGKRZSA-N 0 1 381.415 1.687 20 0 GDADMN O=C(N[C@@H]1CCCOCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826431341 948281801 /nfs/dbraw/zinc/28/18/01/948281801.db2.gz YVIMSUREWQDUMZ-GOSISDBHSA-N 0 1 399.499 1.653 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC001573694431 948294546 /nfs/dbraw/zinc/29/45/46/948294546.db2.gz VMCPHBSOSISXSG-GHMZBOCLSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC001573694431 948294552 /nfs/dbraw/zinc/29/45/52/948294552.db2.gz VMCPHBSOSISXSG-GHMZBOCLSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCC1 ZINC001573694640 948295890 /nfs/dbraw/zinc/29/58/90/948295890.db2.gz CRMDXVOGXKVTPH-SGTLLEGYSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCC1 ZINC001573694640 948295899 /nfs/dbraw/zinc/29/58/99/948295899.db2.gz CRMDXVOGXKVTPH-SGTLLEGYSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573705413 948400120 /nfs/dbraw/zinc/40/01/20/948400120.db2.gz WNIILRKHVWAQPX-UONOGXRCSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CN(c2ccncc2-c2nn[nH]n2)CCC1(F)F)C1CC1 ZINC001573707000 948428565 /nfs/dbraw/zinc/42/85/65/948428565.db2.gz MAGOSSQDGMYAOB-AAEUAGOBSA-N 0 1 391.426 1.886 20 0 GDADMN C[C@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573714016 948468466 /nfs/dbraw/zinc/46/84/66/948468466.db2.gz CQLSQMZAFMMJOT-BLLLJJGKSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cccn1 ZINC001573718047 948514565 /nfs/dbraw/zinc/51/45/65/948514565.db2.gz GYRCSDCLBSXFNM-CQSZACIVSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573721574 948541539 /nfs/dbraw/zinc/54/15/39/948541539.db2.gz YONDCRVKGPUBHZ-NSHDSACASA-N 0 1 387.394 1.896 20 0 GDADMN CC(C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1)=C1CCC1 ZINC001573730076 948575235 /nfs/dbraw/zinc/57/52/35/948575235.db2.gz LVGAWIKWRRKOCY-UHFFFAOYSA-N 0 1 390.451 1.807 20 0 GDADMN C[C@H]([C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(C)(C)C ZINC001573752503 948713829 /nfs/dbraw/zinc/71/38/29/948713829.db2.gz NOYFNQFHTNSDNE-GGAZOKNXSA-N 0 1 384.488 1.526 20 0 GDADMN CC(C)[C@H](F)C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574075635 948746479 /nfs/dbraw/zinc/74/64/79/948746479.db2.gz XPTFLTFCSQIPNF-JSGCOSHPSA-N 0 1 376.440 1.326 20 0 GDADMN CC(C)c1ccc(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001574416490 948749752 /nfs/dbraw/zinc/74/97/52/948749752.db2.gz VNELJMBTTSMZHP-HNNXBMFYSA-N 0 1 392.467 1.919 20 0 GDADMN CC(C)c1cccc(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574418508 948776515 /nfs/dbraw/zinc/77/65/15/948776515.db2.gz XMXIPGMJXNGIFM-GFCCVEGCSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21)C1CC1 ZINC001573756690 948818338 /nfs/dbraw/zinc/81/83/38/948818338.db2.gz UJRILFCDLMONBT-BEYHFKMWSA-N 0 1 379.877 1.574 20 0 GDADMN CC(F)(F)CC(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001575226590 948821054 /nfs/dbraw/zinc/82/10/54/948821054.db2.gz NSYRLEUYSOAFBL-LLVKDONJSA-N 0 1 380.403 1.307 20 0 GDADMN C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574917735 948824103 /nfs/dbraw/zinc/82/41/03/948824103.db2.gz ADZMETOHUDDLME-VIFPVBQESA-N 0 1 386.913 1.259 20 0 GDADMN CC(C)c1ccoc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574422003 948827489 /nfs/dbraw/zinc/82/74/89/948827489.db2.gz UNHUILZGGSSSOC-LBPRGKRZSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574684023 948854000 /nfs/dbraw/zinc/85/40/00/948854000.db2.gz AFSUNHNEWIGOKC-DTWKUNHWSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574684023 948854015 /nfs/dbraw/zinc/85/40/15/948854015.db2.gz AFSUNHNEWIGOKC-DTWKUNHWSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccncn1 ZINC001574684441 948869745 /nfs/dbraw/zinc/86/97/45/948869745.db2.gz GOQJIBMDUQGIDJ-SSDOTTSWSA-N 0 1 379.837 1.387 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573764330 948883931 /nfs/dbraw/zinc/88/39/31/948883931.db2.gz NAYNQDHOECYYCS-OAHLLOKOSA-N 0 1 377.452 1.674 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1CCCOC1 ZINC001574684808 948887309 /nfs/dbraw/zinc/88/73/09/948887309.db2.gz MYTXRDLWLNRJEU-IUCAKERBSA-N 0 1 385.881 1.710 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2cc(F)cc(-c3nn[nH]n3)c2)n[nH]1 ZINC001574426106 948889832 /nfs/dbraw/zinc/88/98/32/948889832.db2.gz QOVQUWKQPCERQU-MRVPVSSYSA-N 0 1 380.409 1.287 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cc1cc[nH]n1 ZINC001574684898 948889805 /nfs/dbraw/zinc/88/98/05/948889805.db2.gz OVVKCRREXJAQNS-SSDOTTSWSA-N 0 1 381.853 1.249 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cncnc1 ZINC001574684850 948893443 /nfs/dbraw/zinc/89/34/43/948893443.db2.gz NPRGBAASZSETAH-SSDOTTSWSA-N 0 1 379.837 1.387 20 0 GDADMN CC(C)[C@]1(C)C[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574087929 948902026 /nfs/dbraw/zinc/90/20/26/948902026.db2.gz BMCOOBRGORPQIH-LIRRHRJNSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H](CNC(=O)CCc1cscn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920489 948906396 /nfs/dbraw/zinc/90/63/96/948906396.db2.gz MIXAUTBNBCYLDZ-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN C[C@@H](CNC(=O)CCc1cscn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920489 948906414 /nfs/dbraw/zinc/90/64/14/948906414.db2.gz MIXAUTBNBCYLDZ-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN CC(C)(C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)[NH+]1CCCC1 ZINC001573765414 948908302 /nfs/dbraw/zinc/90/83/02/948908302.db2.gz DJOBBJGKHVZSGJ-UHFFFAOYSA-N 0 1 387.463 1.529 20 0 GDADMN CC(C)(C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573765444 948909691 /nfs/dbraw/zinc/90/96/91/948909691.db2.gz GFCGVLWTAASERI-CYBMUJFWSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)(C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573765444 948909705 /nfs/dbraw/zinc/90/97/05/948909705.db2.gz GFCGVLWTAASERI-CYBMUJFWSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001574685650 948913428 /nfs/dbraw/zinc/91/34/28/948913428.db2.gz YLQBUKGEUJKONV-GHMZBOCLSA-N 0 1 387.423 1.309 20 0 GDADMN CC(F)(F)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575235781 948926561 /nfs/dbraw/zinc/92/65/61/948926561.db2.gz QHSILPZLZJKMLF-PHIMTYICSA-N 0 1 378.387 1.272 20 0 GDADMN C[C@H](CNC(=O)CCn1cccn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923237 948941732 /nfs/dbraw/zinc/94/17/32/948941732.db2.gz IDNHOBPAXRXISF-CYBMUJFWSA-N 0 1 386.435 1.229 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574926241 948990426 /nfs/dbraw/zinc/99/04/26/948990426.db2.gz LQYZTIGLQOCITH-QMMMGPOBSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926241 948990468 /nfs/dbraw/zinc/99/04/68/948990468.db2.gz LQYZTIGLQOCITH-QMMMGPOBSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926241 948990482 /nfs/dbraw/zinc/99/04/82/948990482.db2.gz LQYZTIGLQOCITH-QMMMGPOBSA-N 0 1 384.897 1.378 20 0 GDADMN CC(C)c1nnc(CNCCCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC001574435260 948992627 /nfs/dbraw/zinc/99/26/27/948992627.db2.gz RDBADDUJKGZHTB-UHFFFAOYSA-N 0 1 389.489 1.422 20 0 GDADMN CC(C)[C@H]1C[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001574091339 949012290 /nfs/dbraw/zinc/01/22/90/949012290.db2.gz KELBIMSIAITRLU-UKRRQHHQSA-N 0 1 392.529 1.927 20 0 GDADMN CC(C)[C@H]1C[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001574091339 949012305 /nfs/dbraw/zinc/01/23/05/949012305.db2.gz KELBIMSIAITRLU-UKRRQHHQSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@@H](Oc1cccnc1)C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575501471 949013015 /nfs/dbraw/zinc/01/30/15/949013015.db2.gz HWWVSESTTSNLOH-CQSZACIVSA-N 0 1 381.440 1.277 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573781031 949097599 /nfs/dbraw/zinc/09/75/99/949097599.db2.gz AMFXIQMNEMWJEO-XBXGTLAGSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574694889 949098484 /nfs/dbraw/zinc/09/84/84/949098484.db2.gz XOHATGJZTBGJCG-ZDUSSCGKSA-N 0 1 380.456 1.315 20 0 GDADMN CC(C)c1occc1C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574446250 949124536 /nfs/dbraw/zinc/12/45/36/949124536.db2.gz LDASBUMIYQDOHE-UHFFFAOYSA-N 0 1 382.428 1.512 20 0 GDADMN CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574446380 949127215 /nfs/dbraw/zinc/12/72/15/949127215.db2.gz NTESPWRAIFCVAH-RISCZKNCSA-N 0 1 382.428 1.368 20 0 GDADMN C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575252503 949168319 /nfs/dbraw/zinc/16/83/19/949168319.db2.gz QJGMKQZTZJVRKX-UWVGGRQHSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574448212 949183949 /nfs/dbraw/zinc/18/39/49/949183949.db2.gz GJMOQSTUBQPDSO-ABAIWWIYSA-N 0 1 382.428 1.368 20 0 GDADMN C[C@@H](NC(=O)[C@H](C)n1cccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254366 949201148 /nfs/dbraw/zinc/20/11/48/949201148.db2.gz VSSULFJEMJMOHJ-KGLIPLIRSA-N 0 1 380.456 1.261 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935621 949206701 /nfs/dbraw/zinc/20/67/01/949206701.db2.gz DNOSOJHEZNCMTF-LLVKDONJSA-N 0 1 386.847 1.494 20 0 GDADMN CC(C)c1ocnc1CNC[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574449908 949206811 /nfs/dbraw/zinc/20/68/11/949206811.db2.gz VMNGQFZKALHZNP-LBPRGKRZSA-N 0 1 384.444 1.558 20 0 GDADMN CC(C)c1ocnc1CNCC1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574449902 949208006 /nfs/dbraw/zinc/20/80/06/949208006.db2.gz VGSKWFWCSVARNI-UHFFFAOYSA-N 0 1 384.444 1.604 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC001575853290 949208991 /nfs/dbraw/zinc/20/89/91/949208991.db2.gz NKPTXMPRGYZLQF-UHFFFAOYSA-N 0 1 382.472 1.452 20 0 GDADMN C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccncc1-c1nn[nH]n1 ZINC001574936164 949211280 /nfs/dbraw/zinc/21/12/80/949211280.db2.gz HUJAGPHWDMCWPF-LLVKDONJSA-N 0 1 387.394 1.369 20 0 GDADMN C[C@H](c1cnccn1)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575516705 949215413 /nfs/dbraw/zinc/21/54/13/949215413.db2.gz QYKXEVBKPZLJSV-OLZOCXBDSA-N 0 1 381.444 1.282 20 0 GDADMN C[C@@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576151555 949226970 /nfs/dbraw/zinc/22/69/70/949226970.db2.gz GOKYCQJVEQZDBT-BFUOFWGJSA-N 0 1 384.488 1.816 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001589605171 949242901 /nfs/dbraw/zinc/24/29/01/949242901.db2.gz LSKQVSNDHKLBJQ-YVEFUNNKSA-N 0 1 383.470 1.238 20 0 GDADMN CC(C)n1cc(C(=O)NCCN(C)Cc2cc(F)ccc2-c2nn[nH]n2)cn1 ZINC001574451938 949249494 /nfs/dbraw/zinc/24/94/94/949249494.db2.gz BFFXQUNZIRDLNB-UHFFFAOYSA-N 0 1 386.435 1.645 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC001589605603 949255680 /nfs/dbraw/zinc/25/56/80/949255680.db2.gz SDWCZGZHCYGQOK-HRJVKACCSA-N 0 1 394.472 1.095 20 0 GDADMN CC(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574105433 949261752 /nfs/dbraw/zinc/26/17/52/949261752.db2.gz BAQJWTCPCRKRHY-CABCVRRESA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573792784 949266780 /nfs/dbraw/zinc/26/67/80/949266780.db2.gz VKKAYOZJJDXZOF-KBPBESRZSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574940609 949267923 /nfs/dbraw/zinc/26/79/23/949267923.db2.gz HKXMJWANQCKLGF-VIFPVBQESA-N 0 1 392.876 1.779 20 0 GDADMN CC(C)n1cc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)cn1 ZINC001574452867 949268540 /nfs/dbraw/zinc/26/85/40/949268540.db2.gz OXZRFBAGEPMQQM-UHFFFAOYSA-N 0 1 381.444 1.226 20 0 GDADMN C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575257314 949272963 /nfs/dbraw/zinc/27/29/63/949272963.db2.gz ZRLCOUUMIQRTOE-ZIAGYGMSSA-N 0 1 377.452 1.721 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)cn1 ZINC001574452951 949275810 /nfs/dbraw/zinc/27/58/10/949275810.db2.gz SHYLRLWMZORRNM-MRXNPFEDSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574702770 949295951 /nfs/dbraw/zinc/29/59/51/949295951.db2.gz LOIWDKYMOGKTSU-YVEFUNNKSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574702770 949295971 /nfs/dbraw/zinc/29/59/71/949295971.db2.gz LOIWDKYMOGKTSU-YVEFUNNKSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702841 949300102 /nfs/dbraw/zinc/30/01/02/949300102.db2.gz MRDFASKIJPJOGT-XCLFUZPHSA-N 0 1 392.467 1.242 20 0 GDADMN CC(C)CC(=O)N1CCC[C@@H]([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574108968 949309958 /nfs/dbraw/zinc/30/99/58/949309958.db2.gz SSASKZQMKARHHJ-HUUCEWRRSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@H](CNC(=O)Cc1ccoc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574941718 949316581 /nfs/dbraw/zinc/31/65/81/949316581.db2.gz GOWHMIMWSIQTKB-MRVPVSSYSA-N 0 1 381.849 1.977 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574459404 949358040 /nfs/dbraw/zinc/35/80/40/949358040.db2.gz FNNLSMFNUBXRDK-JOCQHMNTSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575262459 949375417 /nfs/dbraw/zinc/37/54/17/949375417.db2.gz APQGPFYOJLMNGR-NSHDSACASA-N 0 1 376.436 1.103 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574464228 949403699 /nfs/dbraw/zinc/40/36/99/949403699.db2.gz GQEGUVRBCNJNDD-ZDUSSCGKSA-N 0 1 381.444 1.390 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576156247 949434741 /nfs/dbraw/zinc/43/47/41/949434741.db2.gz MGARESOZRORDNW-KZULUSFZSA-N 0 1 381.444 1.198 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574465738 949446560 /nfs/dbraw/zinc/44/65/60/949446560.db2.gz YHUHQRBPUMURPZ-HDJSIYSDSA-N 0 1 380.456 1.687 20 0 GDADMN C[C@@H](Nc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H](C)NC(=O)C1CCOCC1 ZINC001575265542 949448346 /nfs/dbraw/zinc/44/83/46/949448346.db2.gz UNWOHRAXQMOSEU-JGVFFNPUSA-N 0 1 385.881 1.708 20 0 GDADMN CC(C)CC(=O)NC[C@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001574117337 949464571 /nfs/dbraw/zinc/46/45/71/949464571.db2.gz RGEJWPKVOVJURC-GOSISDBHSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574707872 949480281 /nfs/dbraw/zinc/48/02/81/949480281.db2.gz RHVMBRPBXQRSDV-IUCAKERBSA-N 0 1 385.881 1.805 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnco1 ZINC001576158513 949499271 /nfs/dbraw/zinc/49/92/71/949499271.db2.gz TXMJPAOOTNCTOT-KZULUSFZSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNCc1ccon1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576158884 949511414 /nfs/dbraw/zinc/51/14/14/949511414.db2.gz VMNOPCKVVKAAQR-KZULUSFZSA-N 0 1 384.444 1.651 20 0 GDADMN C[C@H](CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN(C)CC1 ZINC001574949846 949515059 /nfs/dbraw/zinc/51/50/59/949515059.db2.gz FEDHXSMFFBRXFA-LLVKDONJSA-N 0 1 378.868 1.278 20 0 GDADMN C[C@H](CN(C)C(=O)C1CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711192 949526193 /nfs/dbraw/zinc/52/61/93/949526193.db2.gz FBXXWBXSCIXJLR-GFCCVEGCSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCCN1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576165337 949569785 /nfs/dbraw/zinc/56/97/85/949569785.db2.gz JRLUJTBEDWQIHO-GUYCJALGSA-N 0 1 387.488 1.452 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574712250 949576571 /nfs/dbraw/zinc/57/65/71/949576571.db2.gz RDZDEBCQMKEFCU-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574712250 949576581 /nfs/dbraw/zinc/57/65/81/949576581.db2.gz RDZDEBCQMKEFCU-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574712250 949576597 /nfs/dbraw/zinc/57/65/97/949576597.db2.gz RDZDEBCQMKEFCU-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574712250 949576615 /nfs/dbraw/zinc/57/66/15/949576615.db2.gz RDZDEBCQMKEFCU-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001575545642 949600558 /nfs/dbraw/zinc/60/05/58/949600558.db2.gz MUPDARMAOLKGQI-KBPBESRZSA-N 0 1 382.472 1.807 20 0 GDADMN C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575270716 949601720 /nfs/dbraw/zinc/60/17/20/949601720.db2.gz FNKLUWOMOHXDRG-KGLIPLIRSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575270716 949601732 /nfs/dbraw/zinc/60/17/32/949601732.db2.gz FNKLUWOMOHXDRG-KGLIPLIRSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576167203 949604282 /nfs/dbraw/zinc/60/42/82/949604282.db2.gz PIZMBRTWJKFYNI-GUYCJALGSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874324 949610293 /nfs/dbraw/zinc/61/02/93/949610293.db2.gz FYAGVMKVCJVQFK-IUODEOHRSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@H](NC(=O)CC[C@@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575271355 949620555 /nfs/dbraw/zinc/62/05/55/949620555.db2.gz JSGJVMYIOYVUMY-QWHCGFSZSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1cnc[nH]1 ZINC001573812830 949625606 /nfs/dbraw/zinc/62/56/06/949625606.db2.gz UZWKICOEEYFCAK-CQSZACIVSA-N 0 1 383.460 1.560 20 0 GDADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC001595257747 949634113 /nfs/dbraw/zinc/63/41/13/949634113.db2.gz MFJIYQZGJGUQIF-CQSZACIVSA-N 0 1 382.482 1.557 20 0 GDADMN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575547872 949648269 /nfs/dbraw/zinc/64/82/69/949648269.db2.gz IJKGRFLIDZAOQI-PXAZEXFGSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575547872 949648284 /nfs/dbraw/zinc/64/82/84/949648284.db2.gz IJKGRFLIDZAOQI-PXAZEXFGSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575273260 949658379 /nfs/dbraw/zinc/65/83/79/949658379.db2.gz VCRMHIRDLAWVIU-BDAKNGLRSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574477464 949662125 /nfs/dbraw/zinc/66/21/25/949662125.db2.gz RJZVBGKLTLXBBZ-ZDUSSCGKSA-N 0 1 384.444 1.728 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273570 949665438 /nfs/dbraw/zinc/66/54/38/949665438.db2.gz WQSLRWINBQMPNE-ZIAGYGMSSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273570 949665458 /nfs/dbraw/zinc/66/54/58/949665458.db2.gz WQSLRWINBQMPNE-ZIAGYGMSSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCc1ncccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575275020 949691598 /nfs/dbraw/zinc/69/15/98/949691598.db2.gz BPPZBQAOZOZUOX-CQSZACIVSA-N 0 1 392.467 1.226 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574958976 949700422 /nfs/dbraw/zinc/70/04/22/949700422.db2.gz XBBISZBDBMTJDY-TZQJONAQSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574958976 949700435 /nfs/dbraw/zinc/70/04/35/949700435.db2.gz XBBISZBDBMTJDY-TZQJONAQSA-N 0 1 376.486 1.338 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573818007 949713831 /nfs/dbraw/zinc/71/38/31/949713831.db2.gz DTDGAKJVNLKYRL-BEFAXECRSA-N 0 1 387.488 1.178 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(Cl)o1 ZINC001573818080 949717483 /nfs/dbraw/zinc/71/74/83/949717483.db2.gz FZRLZKJVRCKYOR-SNVBAGLBSA-N 0 1 390.835 1.582 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001574959789 949718028 /nfs/dbraw/zinc/71/80/28/949718028.db2.gz UDVIYHLAGJEEKT-MVWJERBFSA-N 0 1 385.407 1.092 20 0 GDADMN CC1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOCC1 ZINC001575558084 949732995 /nfs/dbraw/zinc/73/29/95/949732995.db2.gz OJEKKYFHZKBCRH-CQSZACIVSA-N 0 1 390.513 1.729 20 0 GDADMN CC1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOCC1 ZINC001575558084 949733014 /nfs/dbraw/zinc/73/30/14/949733014.db2.gz OJEKKYFHZKBCRH-CQSZACIVSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574480436 949748802 /nfs/dbraw/zinc/74/88/02/949748802.db2.gz IJXTZFABPPTHMD-GOEBONIOSA-N 0 1 392.467 1.888 20 0 GDADMN CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CC=CC1 ZINC001575561039 949799522 /nfs/dbraw/zinc/79/95/22/949799522.db2.gz XVVDAJKBARXWAV-AGUYFDCRSA-N 0 1 380.456 1.629 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cccc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574965978 949828453 /nfs/dbraw/zinc/82/84/53/949828453.db2.gz QTTXUEGELQYQFW-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574966006 949833073 /nfs/dbraw/zinc/83/30/73/949833073.db2.gz RODXGYUOBKLFFO-MRVPVSSYSA-N 0 1 392.345 1.329 20 0 GDADMN C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574966337 949845174 /nfs/dbraw/zinc/84/51/74/949845174.db2.gz XQUNBGBYDXMWKH-JTQLQIEISA-N 0 1 388.501 1.857 20 0 GDADMN C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574966337 949845192 /nfs/dbraw/zinc/84/51/92/949845192.db2.gz XQUNBGBYDXMWKH-JTQLQIEISA-N 0 1 388.501 1.857 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574484003 949854503 /nfs/dbraw/zinc/85/45/03/949854503.db2.gz BWSARRPFISOZGG-QWRGUYRKSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1ccc(-c2nn[nH]n2)cn1 ZINC001576178484 949889165 /nfs/dbraw/zinc/88/91/65/949889165.db2.gz BREKOUALXHQARK-IUODEOHRSA-N 0 1 381.444 1.728 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178620 949891579 /nfs/dbraw/zinc/89/15/79/949891579.db2.gz CGNBCWANEVMJPM-NHYWBVRUSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575569077 949908002 /nfs/dbraw/zinc/90/80/02/949908002.db2.gz FQCGZVMXQIQDRC-YVEFUNNKSA-N 0 1 376.486 1.435 20 0 GDADMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001595277160 949931183 /nfs/dbraw/zinc/93/11/83/949931183.db2.gz WYEWWPRVCOMOKN-HZPDHXFCSA-N 0 1 375.425 1.026 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001573834093 950010926 /nfs/dbraw/zinc/01/09/26/950010926.db2.gz FYCMIOQJOMOKLU-CHWSQXEVSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOC1 ZINC001575574080 950011618 /nfs/dbraw/zinc/01/16/18/950011618.db2.gz RQOQMHKOBRHKMB-SUMWQHHRSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOC1 ZINC001575574080 950011642 /nfs/dbraw/zinc/01/16/42/950011642.db2.gz RQOQMHKOBRHKMB-SUMWQHHRSA-N 0 1 376.486 1.339 20 0 GDADMN CC(C)(C)CC(=O)N[C@]1(CO)CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573834570 950022836 /nfs/dbraw/zinc/02/28/36/950022836.db2.gz ILRZKUOOYXSPOM-HXUWFJFHSA-N 0 1 386.500 1.746 20 0 GDADMN C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCC2)CCCOC1 ZINC001575577399 950080994 /nfs/dbraw/zinc/08/09/94/950080994.db2.gz VJGQMKLZKVSJIF-QGZVFWFLSA-N 0 1 390.513 1.873 20 0 GDADMN C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCC2)CCCOC1 ZINC001575577399 950081011 /nfs/dbraw/zinc/08/10/11/950081011.db2.gz VJGQMKLZKVSJIF-QGZVFWFLSA-N 0 1 390.513 1.873 20 0 GDADMN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCCCC1 ZINC001575577966 950090543 /nfs/dbraw/zinc/09/05/43/950090543.db2.gz ZLYQWWJHAPPSCS-CYBMUJFWSA-N 0 1 392.529 1.855 20 0 GDADMN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCCCC1 ZINC001575577966 950090564 /nfs/dbraw/zinc/09/05/64/950090564.db2.gz ZLYQWWJHAPPSCS-CYBMUJFWSA-N 0 1 392.529 1.855 20 0 GDADMN CC(C)(C)CC(=O)NC[C@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573836841 950098979 /nfs/dbraw/zinc/09/89/79/950098979.db2.gz SJYKSONCSUCYEE-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN CC(C)(C)CC(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001573838478 950114647 /nfs/dbraw/zinc/11/46/47/950114647.db2.gz FCDFETJWGBRYPR-UHFFFAOYSA-N 0 1 386.504 1.690 20 0 GDADMN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576184873 950140661 /nfs/dbraw/zinc/14/06/61/950140661.db2.gz XKVJOTQNXOSFPZ-GJZGRUSLSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1CNCc1cnns1 ZINC001576185007 950149729 /nfs/dbraw/zinc/14/97/29/950149729.db2.gz YJLVBSZHSOPPKI-HZMBPMFUSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001574982571 950172854 /nfs/dbraw/zinc/17/28/54/950172854.db2.gz DPKXDUYWOVHBCZ-LLVKDONJSA-N 0 1 383.460 1.182 20 0 GDADMN CC(C)(C)CC[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844976 950213206 /nfs/dbraw/zinc/21/32/06/950213206.db2.gz PRSMXGCUTGNYQG-SFHVURJKSA-N 0 1 375.477 1.188 20 0 GDADMN C[C@]1(C(=O)NCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575589203 950259850 /nfs/dbraw/zinc/25/98/50/950259850.db2.gz VVAHCHPRUHUGHE-IBGZPJMESA-N 0 1 385.472 1.411 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2n[nH]cc2F)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575902907 950272262 /nfs/dbraw/zinc/27/22/62/950272262.db2.gz YCYNSTOMWXSWCK-XHDPSFHLSA-N 0 1 384.419 1.512 20 0 GDADMN C[C@]1(C(=O)NCCC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)C=CCC1 ZINC001575592228 950280990 /nfs/dbraw/zinc/28/09/90/950280990.db2.gz DNVWNKKQBBOKKU-LIRRHRJNSA-N 0 1 382.472 1.878 20 0 GDADMN C[C@@]1(C(=O)NCCC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)C=CCC1 ZINC001575592226 950283413 /nfs/dbraw/zinc/28/34/13/950283413.db2.gz DNVWNKKQBBOKKU-IFXJQAMLSA-N 0 1 382.472 1.878 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905773 950304661 /nfs/dbraw/zinc/30/46/61/950304661.db2.gz FILYPUBKJWCROK-GWCFXTLKSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905773 950304675 /nfs/dbraw/zinc/30/46/75/950304675.db2.gz FILYPUBKJWCROK-GWCFXTLKSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)n1ccnc1 ZINC001574502152 950360076 /nfs/dbraw/zinc/36/00/76/950360076.db2.gz JRWNVGDFTUSAGH-ZBFHGGJFSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574502385 950373841 /nfs/dbraw/zinc/37/38/41/950373841.db2.gz MPMRGIHIOBPNGW-KBPBESRZSA-N 0 1 381.440 1.991 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)Cc1cc(F)cc(F)c1 ZINC001574991603 950411893 /nfs/dbraw/zinc/41/18/93/950411893.db2.gz PCAIENZSNXQOBH-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574503493 950413441 /nfs/dbraw/zinc/41/34/41/950413441.db2.gz XJMHODPORUOHPI-NXEZZACHSA-N 0 1 384.366 1.188 20 0 GDADMN CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576199474 950424202 /nfs/dbraw/zinc/42/42/02/950424202.db2.gz ZIFISJUUAAYQSV-OAHLLOKOSA-N 0 1 386.504 1.277 20 0 GDADMN CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576199474 950424215 /nfs/dbraw/zinc/42/42/15/950424215.db2.gz ZIFISJUUAAYQSV-OAHLLOKOSA-N 0 1 386.504 1.277 20 0 GDADMN CC(C)CC1(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574165530 950451340 /nfs/dbraw/zinc/45/13/40/950451340.db2.gz GKTDKAFNEOMLRI-UHFFFAOYSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1C[N@@H+](CCN(C)C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000263417300 950452111 /nfs/dbraw/zinc/45/21/11/950452111.db2.gz KHIXVWXQRDHNFS-DAYGRLMNSA-N 0 1 388.468 1.274 20 0 GDADMN C[C@@H]1C[N@H+](CCN(C)C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000263417300 950452118 /nfs/dbraw/zinc/45/21/18/950452118.db2.gz KHIXVWXQRDHNFS-DAYGRLMNSA-N 0 1 388.468 1.274 20 0 GDADMN CC(C)(C)OC(=O)c1cc(NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC001573863309 950473337 /nfs/dbraw/zinc/47/33/37/950473337.db2.gz BCKNXLCWBCLSPF-UHFFFAOYSA-N 0 1 390.791 1.846 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575605938 950490737 /nfs/dbraw/zinc/49/07/37/950490737.db2.gz XBCRDWWUKSKCGO-BWACUDIHSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575605938 950490748 /nfs/dbraw/zinc/49/07/48/950490748.db2.gz XBCRDWWUKSKCGO-BWACUDIHSA-N 0 1 376.486 1.482 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573866698 950508982 /nfs/dbraw/zinc/50/89/82/950508982.db2.gz JALAPQZCBIKWHO-QMMMGPOBSA-N 0 1 385.881 1.805 20 0 GDADMN C[C@@H](CNC(=O)CN1CCC(C)CC1)N(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001576206277 950566443 /nfs/dbraw/zinc/56/64/43/950566443.db2.gz VYUKEIHBFVVNMA-ZDUSSCGKSA-N 0 1 390.467 1.074 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513749 950620238 /nfs/dbraw/zinc/62/02/38/950620238.db2.gz XZMWHTMUMSVGCB-VXGBXAGGSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513749 950620250 /nfs/dbraw/zinc/62/02/50/950620250.db2.gz XZMWHTMUMSVGCB-VXGBXAGGSA-N 0 1 388.501 1.450 20 0 GDADMN CC(C)(C)OCC(=O)NCCN(Cc1ccc(-c2nn[nH]n2)c(F)c1)C1CC1 ZINC001573871536 950620456 /nfs/dbraw/zinc/62/04/56/950620456.db2.gz RGTXNFVLNQTWQY-UHFFFAOYSA-N 0 1 390.463 1.902 20 0 GDADMN CC1(C)C2CCC1(C(=O)N[C@H]1C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C1)CC2 ZINC001575622623 950644421 /nfs/dbraw/zinc/64/44/21/950644421.db2.gz FKQTYOXGFBTJIQ-ZCXICMAXSA-N 0 1 382.472 1.354 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1ccnc1 ZINC001574518959 950665490 /nfs/dbraw/zinc/66/54/90/950665490.db2.gz SCLMRFINNIHSRN-AVGNSLFASA-N 0 1 386.485 1.513 20 0 GDADMN CC1(C)CC(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)C1 ZINC001575624646 950671631 /nfs/dbraw/zinc/67/16/31/950671631.db2.gz LRCNCKUNJXPPIZ-LJQANCHMSA-N 0 1 382.472 1.522 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001589745160 950682918 /nfs/dbraw/zinc/68/29/18/950682918.db2.gz ZDJODIJSVQPPEF-RHSMWYFYSA-N 0 1 375.425 1.435 20 0 GDADMN C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575005552 950688702 /nfs/dbraw/zinc/68/87/02/950688702.db2.gz HQNYQPPJPUIXDC-GFCCVEGCSA-N 0 1 381.444 1.049 20 0 GDADMN CC(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574179259 950699883 /nfs/dbraw/zinc/69/98/83/950699883.db2.gz GGQRCXMOUXBHSZ-QDMKHBRRSA-N 0 1 384.488 1.957 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573878466 950708221 /nfs/dbraw/zinc/70/82/21/950708221.db2.gz PXQLVOBSCMPOGH-MGPQQGTHSA-N 0 1 384.488 1.672 20 0 GDADMN CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001573879778 950732921 /nfs/dbraw/zinc/73/29/21/950732921.db2.gz MGHRHDNLUUCFEC-XYPYZODXSA-N 0 1 382.428 1.342 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COCC1CCCC1 ZINC001575927334 950744314 /nfs/dbraw/zinc/74/43/14/950744314.db2.gz PGTSFBHDTSBEDC-BBRMVZONSA-N 0 1 385.472 1.292 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575927722 950753633 /nfs/dbraw/zinc/75/36/33/950753633.db2.gz SWRSPXRDADIROK-GXFFZTMASA-N 0 1 380.412 1.264 20 0 GDADMN C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)Cc1ccn[nH]1 ZINC001575930185 950791277 /nfs/dbraw/zinc/79/12/77/950791277.db2.gz DVAMDEBWEIFWEU-RNCFNFMXSA-N 0 1 387.835 1.282 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cnco1 ZINC001575932209 950821556 /nfs/dbraw/zinc/82/15/56/950821556.db2.gz KNHSWHIZLSWEIS-NKWVEPMBSA-N 0 1 380.821 1.680 20 0 GDADMN CC(C)c1ncsc1C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766797 950827775 /nfs/dbraw/zinc/82/77/75/950827775.db2.gz KXZQYMOCOMMLEX-SNVBAGLBSA-N 0 1 387.473 1.231 20 0 GDADMN CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])NC(=O)N[C@@H]1c1ccco1 ZINC001590178174 950854064 /nfs/dbraw/zinc/85/40/64/950854064.db2.gz FMUXARUQSDLWKO-YVEFUNNKSA-N 0 1 391.424 1.780 20 0 GDADMN CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2CC(=O)[O-])NC(=O)N[C@@H]1c1ccco1 ZINC001590178174 950854088 /nfs/dbraw/zinc/85/40/88/950854088.db2.gz FMUXARUQSDLWKO-YVEFUNNKSA-N 0 1 391.424 1.780 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=CCOCC1 ZINC001574524455 950861960 /nfs/dbraw/zinc/86/19/60/950861960.db2.gz WNKIHUAHNAWTPI-VXGBXAGGSA-N 0 1 376.486 1.648 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=CCOCC1 ZINC001574524455 950861976 /nfs/dbraw/zinc/86/19/76/950861976.db2.gz WNKIHUAHNAWTPI-VXGBXAGGSA-N 0 1 376.486 1.648 20 0 GDADMN C[C@@H](CN(C)C[C@@H](O)c1ccccc1F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767744 950866070 /nfs/dbraw/zinc/86/60/70/950866070.db2.gz QBNPYRVQDSWZGG-MEDUHNTESA-N 0 1 387.419 1.118 20 0 GDADMN CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001590207562 950876671 /nfs/dbraw/zinc/87/66/71/950876671.db2.gz ADDLLJRHYFZPFW-LXJOXGFSSA-N 0 1 383.485 1.264 20 0 GDADMN C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCN1C(=O)c1ccn[nH]1 ZINC001575935547 950882504 /nfs/dbraw/zinc/88/25/04/950882504.db2.gz XWBIXBPFCBJIFC-NKWVEPMBSA-N 0 1 379.837 1.415 20 0 GDADMN CC(C)(CC(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573896812 950951922 /nfs/dbraw/zinc/95/19/22/950951922.db2.gz KJTSDLBQMXCOIA-UHFFFAOYSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)(CC(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CC1 ZINC001573898322 950975909 /nfs/dbraw/zinc/97/59/09/950975909.db2.gz YUPGERRCNHIRAJ-IBGZPJMESA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccncc2-c2nn[nH]n2)CCO1 ZINC001575938761 950992783 /nfs/dbraw/zinc/99/27/83/950992783.db2.gz NCNDNFYSHKRUIB-UONOGXRCSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1ccc(F)cc1Cl ZINC001575017453 950995145 /nfs/dbraw/zinc/99/51/45/950995145.db2.gz KKILIZRIFWFKJE-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC001594993388 951057931 /nfs/dbraw/zinc/05/79/31/951057931.db2.gz GGNOOEOMHPHSSB-CYBMUJFWSA-N 0 1 382.420 1.893 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575024898 951118020 /nfs/dbraw/zinc/11/80/20/951118020.db2.gz PGQANCFPOVNWNP-NSHDSACASA-N 0 1 387.394 1.790 20 0 GDADMN CCOC(=O)c1sc(NC(=O)CN(C)C[C@@H]2CCC[N@H+]2C)c(C(=O)[O-])c1C ZINC001591425357 951132164 /nfs/dbraw/zinc/13/21/64/951132164.db2.gz BUJCRICMLJBWNB-LBPRGKRZSA-N 0 1 397.497 1.896 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575029745 951189379 /nfs/dbraw/zinc/18/93/79/951189379.db2.gz XEZTVBHSCCIEMD-CYBMUJFWSA-N 0 1 377.452 1.650 20 0 GDADMN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001591997899 951274175 /nfs/dbraw/zinc/27/41/75/951274175.db2.gz IIRJUSKTDJQXGH-CGTJXYLNSA-N 0 1 377.485 1.886 20 0 GDADMN C[C@H](CNC(=O)c1cnns1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055481 951508160 /nfs/dbraw/zinc/50/81/60/951508160.db2.gz VLQLEUMZAAXWMD-SECBINFHSA-N 0 1 376.421 1.108 20 0 GDADMN C[C@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575057724 951530858 /nfs/dbraw/zinc/53/08/58/951530858.db2.gz PVXRQLYJNDIYJQ-MRVPVSSYSA-N 0 1 378.343 1.442 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1=O ZINC001595074789 951637794 /nfs/dbraw/zinc/63/77/94/951637794.db2.gz WPOKEAATCXRQMW-MSOLQXFVSA-N 0 1 387.480 1.275 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1=O ZINC001595074789 951637800 /nfs/dbraw/zinc/63/78/00/951637800.db2.gz WPOKEAATCXRQMW-MSOLQXFVSA-N 0 1 387.480 1.275 20 0 GDADMN C[C@@H](CNC(=O)c1sccc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575070584 951652124 /nfs/dbraw/zinc/65/21/24/951652124.db2.gz RXEXCIOPRHFNBD-MRVPVSSYSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1[O-])C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082556 951734184 /nfs/dbraw/zinc/73/41/84/951734184.db2.gz XDMASIBSGPYAKG-LLVKDONJSA-N 0 1 385.403 1.262 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575088692 951741306 /nfs/dbraw/zinc/74/13/06/951741306.db2.gz AUVVELNXAQMQHY-SFHVURJKSA-N 0 1 388.497 1.649 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575088692 951741314 /nfs/dbraw/zinc/74/13/14/951741314.db2.gz AUVVELNXAQMQHY-SFHVURJKSA-N 0 1 388.497 1.649 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cccn1 ZINC001575089530 951751093 /nfs/dbraw/zinc/75/10/93/951751093.db2.gz GKLUDAFVRSNOAO-QWHCGFSZSA-N 0 1 386.435 1.400 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575090135 951756548 /nfs/dbraw/zinc/75/65/48/951756548.db2.gz JQWAHZBMLJBPDQ-CXAGYDPISA-N 0 1 376.486 1.482 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCCO1)C1CC1 ZINC001575090135 951756558 /nfs/dbraw/zinc/75/65/58/951756558.db2.gz JQWAHZBMLJBPDQ-CXAGYDPISA-N 0 1 376.486 1.482 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575091092 951767898 /nfs/dbraw/zinc/76/78/98/951767898.db2.gz PBPSDZQTDVBJEH-KGLIPLIRSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1nccs1 ZINC001575099057 951829606 /nfs/dbraw/zinc/82/96/06/951829606.db2.gz HYRAOSGOYHOQGC-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1nccs1 ZINC001575099057 951829614 /nfs/dbraw/zinc/82/96/14/951829614.db2.gz HYRAOSGOYHOQGC-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN C[C@@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099362 951833045 /nfs/dbraw/zinc/83/30/45/951833045.db2.gz KPQUCIHXVWFYPO-CHWSQXEVSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)CC[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099362 951833052 /nfs/dbraw/zinc/83/30/52/951833052.db2.gz KPQUCIHXVWFYPO-CHWSQXEVSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)c1cccc2c[nH]nc21 ZINC001575122974 952007096 /nfs/dbraw/zinc/00/70/96/952007096.db2.gz BGUACONNDAATAR-NSHDSACASA-N 0 1 377.412 1.711 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575136880 952130010 /nfs/dbraw/zinc/13/00/10/952130010.db2.gz QRBKJDWKMCNUHU-FZKQIMNGSA-N 0 1 382.472 1.356 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001575141433 952145003 /nfs/dbraw/zinc/14/50/03/952145003.db2.gz HGLHSGQSUYWUII-JSGCOSHPSA-N 0 1 390.467 1.646 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575143486 952153688 /nfs/dbraw/zinc/15/36/88/952153688.db2.gz QAOFXLSSGHWENH-HXUWFJFHSA-N 0 1 392.467 1.408 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(F)cccc1Cl ZINC001575143614 952154597 /nfs/dbraw/zinc/15/45/97/952154597.db2.gz BNMPIKNWQFKFRW-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575143527 952154778 /nfs/dbraw/zinc/15/47/78/952154778.db2.gz QCPPOJMRTWZEPW-JTQLQIEISA-N 0 1 382.419 1.409 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575143521 952154858 /nfs/dbraw/zinc/15/48/58/952154858.db2.gz QBOGWLHYCXSUEJ-XCLFUZPHSA-N 0 1 392.467 1.242 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575143707 952155726 /nfs/dbraw/zinc/15/57/26/952155726.db2.gz CCXZAGZLDXGDTI-LIRRHRJNSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575144208 952163022 /nfs/dbraw/zinc/16/30/22/952163022.db2.gz USUFOIZGBXHVFN-IAMHBRQHSA-N 0 1 392.467 1.315 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575144298 952164621 /nfs/dbraw/zinc/16/46/21/952164621.db2.gz UVSMVLDGLPYNSY-JTQLQIEISA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001575144475 952168288 /nfs/dbraw/zinc/16/82/88/952168288.db2.gz ISBPDUZXCLMKRI-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1sccc1Cl ZINC001575144865 952173536 /nfs/dbraw/zinc/17/35/36/952173536.db2.gz MVIYYOTWIQMVDC-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c(F)ccc(F)c1F ZINC001575147445 952200201 /nfs/dbraw/zinc/20/02/01/952200201.db2.gz UATBFASOFQHFBS-VIFPVBQESA-N 0 1 391.357 1.674 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575148131 952202773 /nfs/dbraw/zinc/20/27/73/952202773.db2.gz XRWTVAZGTWYMJG-ZDUSSCGKSA-N 0 1 383.431 1.714 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnns1 ZINC001575165303 952305568 /nfs/dbraw/zinc/30/55/68/952305568.db2.gz NETSWFHTIBWYIZ-YFKPBYRVSA-N 0 1 385.866 1.401 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1nccs1 ZINC001571118098 952487133 /nfs/dbraw/zinc/48/71/33/952487133.db2.gz USJCAQNCGRUFGN-ONGXEEELSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1nccs1 ZINC001571118098 952487135 /nfs/dbraw/zinc/48/71/35/952487135.db2.gz USJCAQNCGRUFGN-ONGXEEELSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575199295 952488067 /nfs/dbraw/zinc/48/80/67/952488067.db2.gz BRSZLDWOSIAVRO-YUSALJHKSA-N 0 1 385.407 1.062 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200198 952493036 /nfs/dbraw/zinc/49/30/36/952493036.db2.gz ACDCFBXWUPPPQV-OCCSQVGLSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200266 952494177 /nfs/dbraw/zinc/49/41/77/952494177.db2.gz BUSBNNSYAODRJB-LALPHHSUSA-N 0 1 381.444 1.122 20 0 GDADMN CO[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)C1CC1 ZINC001571123726 952531851 /nfs/dbraw/zinc/53/18/51/952531851.db2.gz VFISLOIENUOZJV-HNNXBMFYSA-N 0 1 376.486 1.434 20 0 GDADMN CO[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)C1CC1 ZINC001571123726 952531857 /nfs/dbraw/zinc/53/18/57/952531857.db2.gz VFISLOIENUOZJV-HNNXBMFYSA-N 0 1 376.486 1.434 20 0 GDADMN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(F)cc(-c3nn[nH]n3)c2)cn1 ZINC001571124555 952540515 /nfs/dbraw/zinc/54/05/15/952540515.db2.gz MSEGFDBWYIRWCG-UHFFFAOYSA-N 0 1 377.361 1.025 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)CC3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124652 952542808 /nfs/dbraw/zinc/54/28/08/952542808.db2.gz QIKABYTTXPNVJZ-GFCCVEGCSA-N 0 1 377.399 1.700 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134379 952589877 /nfs/dbraw/zinc/58/98/77/952589877.db2.gz HVSHEOVYUOWKKP-LSDHHAIUSA-N 0 1 378.440 1.540 20 0 GDADMN Cc1cccc([C@@H](C)C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001571134504 952591488 /nfs/dbraw/zinc/59/14/88/952591488.db2.gz JGJUXQCBJWDONP-CQSZACIVSA-N 0 1 378.440 1.417 20 0 GDADMN Cc1ccccc1C(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135030 952598497 /nfs/dbraw/zinc/59/84/97/952598497.db2.gz QKBISKQRTZZEHE-KBPBESRZSA-N 0 1 378.440 1.207 20 0 GDADMN C[C@@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001571140035 952623469 /nfs/dbraw/zinc/62/34/69/952623469.db2.gz NPJGJGLKUAMZRX-NSHDSACASA-N 0 1 379.415 1.980 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCC2 ZINC001571141043 952630470 /nfs/dbraw/zinc/63/04/70/952630470.db2.gz FZUQMJVMZUUQLC-OAHLLOKOSA-N 0 1 378.440 1.014 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCC2 ZINC001571141042 952630659 /nfs/dbraw/zinc/63/06/59/952630659.db2.gz FZUQMJVMZUUQLC-HNNXBMFYSA-N 0 1 378.440 1.014 20 0 GDADMN COc1cccc(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571141308 952632892 /nfs/dbraw/zinc/63/28/92/952632892.db2.gz KDSZCSBYVJKFGN-HDJSIYSDSA-N 0 1 379.424 1.374 20 0 GDADMN O=C(Cc1ccc[nH]1)NC1CC2(C1)CC(Nc1ccncc1-c1nn[nH]n1)C2 ZINC001571141979 952637979 /nfs/dbraw/zinc/63/79/79/952637979.db2.gz MHDGEOWUPCJPKF-UHFFFAOYSA-N 0 1 378.440 1.094 20 0 GDADMN Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC34CC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571151779 952678741 /nfs/dbraw/zinc/67/87/41/952678741.db2.gz XGLVLYBZSXNYBR-AGKSTNPPSA-N 0 1 379.468 1.845 20 0 GDADMN O=C(NC[C@H]1CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CC1(F)F ZINC001571153958 952688285 /nfs/dbraw/zinc/68/82/85/952688285.db2.gz WYRULJGQHNHVIH-YPMHNXCESA-N 0 1 380.374 1.742 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)ccn1 ZINC001571156825 952706190 /nfs/dbraw/zinc/70/61/90/952706190.db2.gz KRSORTYIWUTWMG-TZMCWYRMSA-N 0 1 379.428 1.147 20 0 GDADMN O=C(N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@]1(F)CCOC1 ZINC001571165444 952751203 /nfs/dbraw/zinc/75/12/03/952751203.db2.gz DGFBYHJCVNEXHB-MEDUHNTESA-N 0 1 380.449 1.137 20 0 GDADMN O=C(N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@]1(F)CCOC1 ZINC001571165444 952751205 /nfs/dbraw/zinc/75/12/05/952751205.db2.gz DGFBYHJCVNEXHB-MEDUHNTESA-N 0 1 380.449 1.137 20 0 GDADMN Cc1[nH]ccc1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571169429 952773886 /nfs/dbraw/zinc/77/38/86/952773886.db2.gz CEVVCYZIYGTHIM-CJNGLKHVSA-N 0 1 380.456 1.994 20 0 GDADMN Cc1c(C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)ccn1C ZINC001571169750 952778470 /nfs/dbraw/zinc/77/84/70/952778470.db2.gz LSYCFHNFBPFQPE-UONOGXRCSA-N 0 1 380.456 1.341 20 0 GDADMN Cc1cccc(F)c1C(=O)N1C[C@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571178480 952842193 /nfs/dbraw/zinc/84/21/93/952842193.db2.gz KEFZOLBQOBUFNT-BLLLJJGKSA-N 0 1 381.415 1.704 20 0 GDADMN Cc1cc(NC[C@@]2(C)CCN(C(=O)Cc3ccco3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179979 952857905 /nfs/dbraw/zinc/85/79/05/952857905.db2.gz LLRUHCRKYPHUBC-LJQANCHMSA-N 0 1 381.440 1.478 20 0 GDADMN CC(C)c1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571180958 952861885 /nfs/dbraw/zinc/86/18/85/952861885.db2.gz RULTVKSCLBELDV-GFCCVEGCSA-N 0 1 381.444 1.507 20 0 GDADMN COc1cccc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1C ZINC001571183113 952873293 /nfs/dbraw/zinc/87/32/93/952873293.db2.gz OYGVHEOHLDVXFT-AWEZNQCLSA-N 0 1 381.440 1.516 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1ccc(-c2nn[nH]n2)nc1 ZINC001571183761 952883555 /nfs/dbraw/zinc/88/35/55/952883555.db2.gz JAAUZSLBQKTSQF-BLLLJJGKSA-N 0 1 381.444 1.728 20 0 GDADMN CCn1nccc1C(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571185508 952902366 /nfs/dbraw/zinc/90/23/66/952902366.db2.gz MOLAAYXGCMXDPG-UHFFFAOYSA-N 0 1 381.444 1.185 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571188359 952913910 /nfs/dbraw/zinc/91/39/10/952913910.db2.gz JHZXCNUJIWIBSC-JOCQHMNTSA-N 0 1 381.444 1.177 20 0 GDADMN CC1(C)C[C@@H]1C(=O)NC[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571192236 952948494 /nfs/dbraw/zinc/94/84/94/952948494.db2.gz VHZGPLSBFZAVBC-RKDXNWHRSA-N 0 1 381.893 1.965 20 0 GDADMN Cc1cc(F)cc(C)c1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571195613 952977506 /nfs/dbraw/zinc/97/75/06/952977506.db2.gz COWVDLUARPUPCU-UHFFFAOYSA-N 0 1 382.403 1.375 20 0 GDADMN Cc1ccc(F)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c1 ZINC001571196031 952979323 /nfs/dbraw/zinc/97/93/23/952979323.db2.gz GUVSZJRVGFQXDG-BXUZGUMPSA-N 0 1 382.403 1.241 20 0 GDADMN Cc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1F ZINC001571196635 952983308 /nfs/dbraw/zinc/98/33/08/952983308.db2.gz LRPLBRFKSDWXQB-SMDDNHRTSA-N 0 1 382.403 1.099 20 0 GDADMN Cc1cccc(F)c1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571197397 952989322 /nfs/dbraw/zinc/98/93/22/952989322.db2.gz ZCVHMFLJPSXAHK-UHFFFAOYSA-N 0 1 382.403 1.503 20 0 GDADMN CN(C[C@H]1CCN(C(=O)CCc2ccon2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571198781 952993765 /nfs/dbraw/zinc/99/37/65/952993765.db2.gz GKAROLBSOUGVRL-CYBMUJFWSA-N 0 1 382.428 1.167 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)CCc2ccon2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571198782 952994128 /nfs/dbraw/zinc/99/41/28/952994128.db2.gz GKAROLBSOUGVRL-ZDUSSCGKSA-N 0 1 382.428 1.167 20 0 GDADMN CCc1ncoc1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571199126 952996041 /nfs/dbraw/zinc/99/60/41/952996041.db2.gz MDCNPEGYTNFAMK-GFCCVEGCSA-N 0 1 382.428 1.259 20 0 GDADMN Cc1ccoc1C(=O)N1CCCC[C@H]1[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571200889 953013102 /nfs/dbraw/zinc/01/31/02/953013102.db2.gz HNLVFHWTWPUEEU-STQMWFEESA-N 0 1 382.428 1.475 20 0 GDADMN Cc1cnoc1C(=O)N1CCCC[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571201351 953017825 /nfs/dbraw/zinc/01/78/25/953017825.db2.gz KNMQUGHEHXPHAO-ZDUSSCGKSA-N 0 1 382.428 1.477 20 0 GDADMN Cc1coc(C)c1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571202292 953023726 /nfs/dbraw/zinc/02/37/26/953023726.db2.gz SUAPLGOBNCYRIS-ZDUSSCGKSA-N 0 1 382.428 1.513 20 0 GDADMN Cc1cc(NC[C@@H]2CCN(C(=O)c3ccon3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202600 953027165 /nfs/dbraw/zinc/02/71/65/953027165.db2.gz VNZYJWNCOIEYBX-YPMHNXCESA-N 0 1 382.428 1.190 20 0 GDADMN CC[C@H]1CN(C(=O)c2[nH]nnc2C)CC[C@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571206540 953052306 /nfs/dbraw/zinc/05/23/06/953052306.db2.gz VFUBLHRCZLULRZ-WCQYABFASA-N 0 1 382.432 1.041 20 0 GDADMN C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571210579 953072749 /nfs/dbraw/zinc/07/27/49/953072749.db2.gz SVTRVDSTTRGNDF-CABZTGNLSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571210579 953072751 /nfs/dbraw/zinc/07/27/51/953072751.db2.gz SVTRVDSTTRGNDF-CABZTGNLSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@]1(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211750 953080241 /nfs/dbraw/zinc/08/02/41/953080241.db2.gz FCIVYARROVUILT-PJHJGJPPSA-N 0 1 382.472 1.568 20 0 GDADMN Cc1cc(C(=O)N2CCCC[C@@H]2CNc2nc(C)cc(-c3nn[nH]n3)n2)n[nH]1 ZINC001571213849 953098735 /nfs/dbraw/zinc/09/87/35/953098735.db2.gz XMXPKMMUKDSBIA-GFCCVEGCSA-N 0 1 382.432 1.103 20 0 GDADMN O=C(NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C1CCCCC1 ZINC001571217724 953111055 /nfs/dbraw/zinc/11/10/55/953111055.db2.gz JHCNDQHENRBMPG-UHFFFAOYSA-N 0 1 382.472 1.498 20 0 GDADMN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571217958 953111568 /nfs/dbraw/zinc/11/15/68/953111568.db2.gz JJNZCACPJFEZSU-CBBWQLFWSA-N 0 1 382.472 1.308 20 0 GDADMN O=C(NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1C[C@H]1C1CCC1 ZINC001571219319 953125130 /nfs/dbraw/zinc/12/51/30/953125130.db2.gz XKQORWSEGHYHGQ-LSDHHAIUSA-N 0 1 382.472 1.426 20 0 GDADMN Cc1ncoc1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571227106 953158446 /nfs/dbraw/zinc/15/84/46/953158446.db2.gz YTSBNDJYZGLIEA-GFCCVEGCSA-N 0 1 383.416 1.132 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)C3=COCCC3)[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233371 953192055 /nfs/dbraw/zinc/19/20/55/953192055.db2.gz SZTYGCJBZYLTIH-DZGCQCFKSA-N 0 1 383.456 1.478 20 0 GDADMN Cc1ccc(CC(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)s1 ZINC001571233728 953195499 /nfs/dbraw/zinc/19/54/99/953195499.db2.gz BUVNASUUPWYTAU-CYBMUJFWSA-N 0 1 383.481 1.617 20 0 GDADMN CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)C1 ZINC001571234888 953207000 /nfs/dbraw/zinc/20/70/00/953207000.db2.gz LVZKLNUJUZPBNM-CLAHSXSESA-N 0 1 383.865 1.193 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccncc1Cl ZINC001571235176 953209820 /nfs/dbraw/zinc/20/98/20/953209820.db2.gz WARQKMPOMXVPRT-AWEZNQCLSA-N 0 1 383.843 1.919 20 0 GDADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)CC(F)(F)F)CC1 ZINC001571235311 953211182 /nfs/dbraw/zinc/21/11/82/953211182.db2.gz ZVEXFADPIWYMHA-UHFFFAOYSA-N 0 1 384.366 1.214 20 0 GDADMN COc1cccc2c1OCCC[C@H]2NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001571238152 953226610 /nfs/dbraw/zinc/22/66/10/953226610.db2.gz VNKRCZSGSXXGMU-ZYHUDNBSSA-N 0 1 384.400 1.058 20 0 GDADMN Cc1c[nH]c(C(=O)N2CC[C@@H](N(C)Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)n1 ZINC001571239698 953241809 /nfs/dbraw/zinc/24/18/09/953241809.db2.gz QITMGGKRMMGCTL-CYBMUJFWSA-N 0 1 384.419 1.384 20 0 GDADMN Cc1ncc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)s1 ZINC001571244613 953264725 /nfs/dbraw/zinc/26/47/25/953264725.db2.gz CGBXPACUMCGVFY-GFCCVEGCSA-N 0 1 384.469 1.474 20 0 GDADMN Cc1nc(CC(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cs1 ZINC001571244644 953265709 /nfs/dbraw/zinc/26/57/09/953265709.db2.gz CXRHFXOZAKJIGP-GFCCVEGCSA-N 0 1 384.469 1.273 20 0 GDADMN Cc1cc(N(C)[C@H]2CCCN(C(=O)c3ccsn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244739 953266495 /nfs/dbraw/zinc/26/64/95/953266495.db2.gz HALPBFPBLLQIML-LBPRGKRZSA-N 0 1 384.469 1.768 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3ccsn3)[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245101 953269807 /nfs/dbraw/zinc/26/98/07/953269807.db2.gz NRVLXFGQEZTSAY-NWDGAFQWSA-N 0 1 384.469 1.554 20 0 GDADMN CCc1ccc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001571245034 953269947 /nfs/dbraw/zinc/26/99/47/953269947.db2.gz MLKUWELPMMVLQU-NSHDSACASA-N 0 1 384.469 1.419 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3ccsn3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245105 953270694 /nfs/dbraw/zinc/27/06/94/953270694.db2.gz NRVLXFGQEZTSAY-VXGBXAGGSA-N 0 1 384.469 1.554 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001571245427 953273954 /nfs/dbraw/zinc/27/39/54/953273954.db2.gz IGRUGIAATHRQNP-NEPJUHHUSA-N 0 1 384.469 1.347 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001571246305 953282308 /nfs/dbraw/zinc/28/23/08/953282308.db2.gz XSIYGCIDRLPEEI-YPMHNXCESA-N 0 1 384.469 1.347 20 0 GDADMN CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249063 953300680 /nfs/dbraw/zinc/30/06/80/953300680.db2.gz CEUTWCQHQHHDPL-RBSFLKMASA-N 0 1 384.488 1.672 20 0 GDADMN CC1(C)CCC(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571250283 953310210 /nfs/dbraw/zinc/31/02/10/953310210.db2.gz PZZVYMZFBGXVPN-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001571250506 953311527 /nfs/dbraw/zinc/31/15/27/953311527.db2.gz QJXNRDUJUQKTMW-HIFRSBDPSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001571251135 953314252 /nfs/dbraw/zinc/31/42/52/953314252.db2.gz WEVVPAIKCFJBIM-JSGCOSHPSA-N 0 1 384.488 1.554 20 0 GDADMN CN(C[C@H]1CCN(C(=O)CC(C)(C)C2CC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571251948 953321210 /nfs/dbraw/zinc/32/12/10/953321210.db2.gz CKGHPGULPXQUSJ-CYBMUJFWSA-N 0 1 384.488 1.768 20 0 GDADMN CCc1ocnc1C(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571254829 953343494 /nfs/dbraw/zinc/34/34/94/953343494.db2.gz KIEIIUYXSKMZMS-ZDUSSCGKSA-N 0 1 385.403 1.561 20 0 GDADMN Cc1cccc(Cl)c1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571255485 953349529 /nfs/dbraw/zinc/34/95/29/953349529.db2.gz LSPDELYHXXLEDA-PHIMTYICSA-N 0 1 384.831 1.413 20 0 GDADMN O=C(NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1ccc(Cl)cn1 ZINC001571255531 953351251 /nfs/dbraw/zinc/35/12/51/953351251.db2.gz NBBJPVIMWMKOFM-UHFFFAOYSA-N 0 1 384.831 1.353 20 0 GDADMN Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(F)cc1F ZINC001571255939 953359370 /nfs/dbraw/zinc/35/93/70/953359370.db2.gz RXDZRNMBZSNZNT-PHIMTYICSA-N 0 1 385.378 1.643 20 0 GDADMN O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC3CCCC3)C1)O2 ZINC001594750252 953417439 /nfs/dbraw/zinc/41/74/39/953417439.db2.gz SHHPPYVUCQHOKJ-ZEVUXNIQSA-N 0 1 379.501 1.963 20 0 GDADMN O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@@H]1CCC[N@H+]3CCSC[C@H]13)O2 ZINC001594750650 953424755 /nfs/dbraw/zinc/42/47/55/953424755.db2.gz VQBZOARPWGHMHS-YUGHPYOKSA-N 0 1 383.514 1.278 20 0 GDADMN O=C([O-])c1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001594772971 953575366 /nfs/dbraw/zinc/57/53/66/953575366.db2.gz KVHUHMCYUDMPIZ-GOSISDBHSA-N 0 1 383.448 1.951 20 0 GDADMN CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C(=O)[O-])cn3)cc2)CC1 ZINC000613847120 953788914 /nfs/dbraw/zinc/78/89/14/953788914.db2.gz GZJBQEOMPFIJLF-UHFFFAOYSA-N 0 1 382.464 1.847 20 0 GDADMN C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[C@@H]1C(=O)[O-] ZINC000626745855 953799000 /nfs/dbraw/zinc/79/90/00/953799000.db2.gz ZRJZEEVWFNEOQR-OWCLPIDISA-N 0 1 394.541 1.789 20 0 GDADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001589320581 953863820 /nfs/dbraw/zinc/86/38/20/953863820.db2.gz PDZPAMOSXLKGRS-IKGGRYGDSA-N 0 1 379.501 1.423 20 0 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C[C@@H]1CCC[C@H]1NS(=O)(=O)CCCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349563470 531336581 /nfs/dbraw/zinc/33/65/81/531336581.db2.gz IBTRHAFRTBNQRL-CHWSQXEVSA-N 0 1 378.520 1.050 20 0 GDADMN O=S(=O)(C[C@H](O)CN[C@H](c1nnc[nH]1)C1CCCCC1)c1cccs1 ZINC000292167839 531338924 /nfs/dbraw/zinc/33/89/24/531338924.db2.gz NYDZSGAXVDVXQD-HIFRSBDPSA-N 0 1 384.527 1.912 20 0 GDADMN CC(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)NC2CC(C)C2)n[nH]1 ZINC000349557309 531329579 /nfs/dbraw/zinc/32/95/79/531329579.db2.gz YKIULNREJCKPJP-UHFFFAOYSA-N 0 1 378.520 1.383 20 0 GDADMN CCc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@@H](F)C2)c1C ZINC000349559061 531330902 /nfs/dbraw/zinc/33/09/02/531330902.db2.gz TZRAWMOAMJEJMT-VXGBXAGGSA-N 0 1 396.510 1.222 20 0 GDADMN CSc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000440340186 531333470 /nfs/dbraw/zinc/33/34/70/531333470.db2.gz INKCQGGTUDORFO-CQSZACIVSA-N 0 1 383.539 1.241 20 0 GDADMN CSc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000440340184 531333901 /nfs/dbraw/zinc/33/39/01/531333901.db2.gz INKCQGGTUDORFO-AWEZNQCLSA-N 0 1 383.539 1.241 20 0 GDADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1Cl ZINC000440351235 531334904 /nfs/dbraw/zinc/33/49/04/531334904.db2.gz CWJDOTTWWLKWAU-CQSZACIVSA-N 0 1 385.917 1.481 20 0 GDADMN CN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000440350096 531335113 /nfs/dbraw/zinc/33/51/13/531335113.db2.gz OHIRMJMLOKHMEN-UHFFFAOYSA-N 0 1 381.885 1.546 20 0 GDADMN CN1C2(CCC2)COC[C@@]1(CO)CNCc1cc(O)ccc1Br ZINC000527751385 531336143 /nfs/dbraw/zinc/33/61/43/531336143.db2.gz BHVROCICMASARJ-KRWDZBQOSA-N 0 1 385.302 1.860 20 0 GDADMN CC[C@@H]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)C1 ZINC000349572712 531347560 /nfs/dbraw/zinc/34/75/60/531347560.db2.gz KPZPDSLKPWYNBI-KGLIPLIRSA-N 0 1 392.547 1.440 20 0 GDADMN CCN(C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCNC1=O ZINC000440952993 531351560 /nfs/dbraw/zinc/35/15/60/531351560.db2.gz GRJDTEDFQPUNAJ-OCCSQVGLSA-N 0 1 375.238 1.538 20 0 GDADMN C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349566680 531339536 /nfs/dbraw/zinc/33/95/36/531339536.db2.gz LTMATKSLHUBOOX-ZIAGYGMSSA-N 0 1 392.547 1.298 20 0 GDADMN C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292189576 531340857 /nfs/dbraw/zinc/34/08/57/531340857.db2.gz MYYCJMCBOTWRKR-GFCCVEGCSA-N 0 1 377.869 1.773 20 0 GDADMN C[C@H](OC[C@@H](O)CN1CCC[C@@H]1CS(N)(=O)=O)c1ccc(Cl)cc1 ZINC000440643248 531340977 /nfs/dbraw/zinc/34/09/77/531340977.db2.gz FZTZBSTXFQUUFR-MAZHCROVSA-N 0 1 376.906 1.531 20 0 GDADMN CCOc1ccc(S(=O)(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000266390239 531343669 /nfs/dbraw/zinc/34/36/69/531343669.db2.gz ZUHSUWKWIHTGJI-GFCCVEGCSA-N 0 1 385.467 1.442 20 0 GDADMN COc1cc(S(=O)(=O)N2C[C@H](C)NC[C@@H]2C)c(OC)cc1Br ZINC000440756908 531343731 /nfs/dbraw/zinc/34/37/31/531343731.db2.gz KISGWCUGYZNIEI-UWVGGRQHSA-N 0 1 393.303 1.837 20 0 GDADMN CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCNC1(CO)CCCC1 ZINC000440774433 531344347 /nfs/dbraw/zinc/34/43/47/531344347.db2.gz XPQKQJRJJZVWDN-UHFFFAOYSA-N 0 1 389.539 1.539 20 0 GDADMN Nc1c(NS(=O)(=O)c2ccc3ncsc3c2)cccc1S(N)(=O)=O ZINC000479527836 531360927 /nfs/dbraw/zinc/36/09/27/531360927.db2.gz ZXIJMBULRXZDQV-UHFFFAOYSA-N 0 1 384.464 1.327 20 0 GDADMN Cn1cc(Br)c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)n1 ZINC000292534207 531361642 /nfs/dbraw/zinc/36/16/42/531361642.db2.gz DNUMCTGLZKBCKL-UHFFFAOYSA-N 0 1 393.289 1.259 20 0 GDADMN Cc1ccc(S(=O)(=O)NCCN(C)C[C@@H](O)COCC(F)(F)F)cc1 ZINC000292540779 531362145 /nfs/dbraw/zinc/36/21/45/531362145.db2.gz GLAFFQYMMUYRIU-CYBMUJFWSA-N 0 1 384.420 1.145 20 0 GDADMN COC(=O)c1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)s1 ZINC000292611962 531365842 /nfs/dbraw/zinc/36/58/42/531365842.db2.gz LKHDDWPDEVWIJW-QMMMGPOBSA-N 0 1 399.332 1.773 20 0 GDADMN Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCC2(C)C)n1 ZINC000349592941 531368554 /nfs/dbraw/zinc/36/85/54/531368554.db2.gz TYYSKEMJOQOXQX-GFCCVEGCSA-N 0 1 378.520 1.050 20 0 GDADMN Cc1nnc(SCCC(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)[nH]1 ZINC000266768998 531368916 /nfs/dbraw/zinc/36/89/16/531368916.db2.gz PLGKLWPTZJWGPM-SNVBAGLBSA-N 0 1 383.499 1.844 20 0 GDADMN CCN(CC)C(=O)[C@H]1CSCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000266999083 531384857 /nfs/dbraw/zinc/38/48/57/531384857.db2.gz XQBXXJNUHGKBHK-MRVPVSSYSA-N 0 1 378.570 1.689 20 0 GDADMN Cn1nc2c(cc1=O)CN(C[C@@](C)(O)c1ccc(Br)cc1F)CC2 ZINC000292877601 531385634 /nfs/dbraw/zinc/38/56/34/531385634.db2.gz TWJRFVOYWLKEAM-QGZVFWFLSA-N 0 1 396.260 1.948 20 0 GDADMN CN(C1CC(C)(C)C1)S(=O)(=O)CCCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349604956 531386477 /nfs/dbraw/zinc/38/64/77/531386477.db2.gz FXMMGYCBAJBZRX-UHFFFAOYSA-N 0 1 392.547 1.392 20 0 GDADMN COC(=O)[C@H](CNC(=O)CSc1n[nH]c(=S)s1)Cc1ccc(O)cc1 ZINC000267021630 531388062 /nfs/dbraw/zinc/38/80/62/531388062.db2.gz PPNJNUPUDHYBEU-JTQLQIEISA-N 0 1 399.519 1.773 20 0 GDADMN O=S1(=O)CC[C@@H](NC[C@@H]2COCCN2)c2cc(Br)ccc21 ZINC000530220413 531391046 /nfs/dbraw/zinc/39/10/46/531391046.db2.gz AUCUZLCSNFPCMT-DGCLKSJQSA-N 0 1 375.288 1.246 20 0 GDADMN COC(=O)c1cc(S(=O)(=O)Nc2ccncc2Br)oc1C ZINC000481942008 531392073 /nfs/dbraw/zinc/39/20/73/531392073.db2.gz JXTZLDNTYBWECE-UHFFFAOYSA-N 0 1 375.200 1.755 20 0 GDADMN CCc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@H](C)[C@@H]2C)c1C ZINC000349607718 531392299 /nfs/dbraw/zinc/39/22/99/531392299.db2.gz MREFRGJGBKAFMH-AAEUAGOBSA-N 0 1 392.547 1.472 20 0 GDADMN Cc1nc(C(=O)N2CCS[C@@H](C)[C@@H]2C)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000267071022 531393946 /nfs/dbraw/zinc/39/39/46/531393946.db2.gz ICLKRSXSFZBVAS-BQBZGAKWSA-N 0 1 375.380 1.679 20 0 GDADMN CO[C@@](C)([C@@H](C)NC(=O)CNS(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000412616528 531376855 /nfs/dbraw/zinc/37/68/55/531376855.db2.gz RYENGJQVVDBWFI-HWPZZCPQSA-N 0 1 376.425 1.563 20 0 GDADMN Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@@H](C)C[C@@H]2C)ccn1 ZINC000349599853 531378571 /nfs/dbraw/zinc/37/85/71/531378571.db2.gz BUWQGVARHGGRCH-ZFWWWQNUSA-N 0 1 389.543 1.394 20 0 GDADMN COC(=O)[C@H]1CN(C)CCN(C(=O)NCc2cccc(Br)c2)C1 ZINC000413201358 531399423 /nfs/dbraw/zinc/39/94/23/531399423.db2.gz NFPRDHUJRGUMQU-ZDUSSCGKSA-N 0 1 384.274 1.695 20 0 GDADMN COC(=O)[C@H]1CN(C)CCN(C(=O)NCCc2ccc(Br)cc2)C1 ZINC000413282454 531401759 /nfs/dbraw/zinc/40/17/59/531401759.db2.gz QHLHDLSBMCKNNG-AWEZNQCLSA-N 0 1 398.301 1.738 20 0 GDADMN CNC(=O)[C@@H](C)NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000530750873 531403119 /nfs/dbraw/zinc/40/31/19/531403119.db2.gz MTWVYWLYTADOQF-LLVKDONJSA-N 0 1 381.479 1.722 20 0 GDADMN CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)c1nn[nH]n1 ZINC000531824622 531416065 /nfs/dbraw/zinc/41/60/65/531416065.db2.gz HUYXFNXUJCUTFV-MRVPVSSYSA-N 0 1 392.894 1.193 20 0 GDADMN C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)c1nnc[nH]1 ZINC000267195658 531410427 /nfs/dbraw/zinc/41/04/27/531410427.db2.gz KWAIITNODWZMOJ-SECBINFHSA-N 0 1 387.259 1.359 20 0 GDADMN CN1C[C@H](NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1=O ZINC000531626467 531413867 /nfs/dbraw/zinc/41/38/67/531413867.db2.gz GYWBNZJLDFSOTN-LLVKDONJSA-N 0 1 393.245 1.264 20 0 GDADMN CN1C[C@H](NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC1=O ZINC000531626467 531413871 /nfs/dbraw/zinc/41/38/71/531413871.db2.gz GYWBNZJLDFSOTN-LLVKDONJSA-N 0 1 393.245 1.264 20 0 GDADMN CCc1n[nH]c(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)c1Br ZINC000279233084 531421779 /nfs/dbraw/zinc/42/17/79/531421779.db2.gz NFLLSUXFZONEIH-GFCCVEGCSA-N 0 1 384.322 1.587 20 0 GDADMN COC(=O)[C@@H]1CN(C)CCN(C(=O)CCc2ccccc2Br)C1 ZINC000413898569 531421861 /nfs/dbraw/zinc/42/18/61/531421861.db2.gz BNILYSATLMANNQ-CQSZACIVSA-N 0 1 383.286 1.945 20 0 GDADMN COC(=O)[C@H]1CN(C)CCN(C(=O)CCc2ccc(Br)cc2)C1 ZINC000413911747 531422963 /nfs/dbraw/zinc/42/29/63/531422963.db2.gz YYUDQKNCQVWIHF-AWEZNQCLSA-N 0 1 383.286 1.945 20 0 GDADMN COCCCS(=O)(=O)NCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000532755483 531424879 /nfs/dbraw/zinc/42/48/79/531424879.db2.gz GEOCRAUVSGOHBL-HNNXBMFYSA-N 0 1 391.921 1.015 20 0 GDADMN C[C@@H](NC(=O)[C@@H](C)N1C[C@@H](C)S[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000532577911 531423483 /nfs/dbraw/zinc/42/34/83/531423483.db2.gz RDNQLTZSBQMGLT-AAVRWANBSA-N 0 1 385.555 1.726 20 0 GDADMN NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000533690875 531431644 /nfs/dbraw/zinc/43/16/44/531431644.db2.gz AUVJWEKKRDONSO-UHFFFAOYSA-N 0 1 385.804 1.495 20 0 GDADMN O=C(NCc1nc2cc(Cl)ccc2s1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000485193777 531430468 /nfs/dbraw/zinc/43/04/68/531430468.db2.gz PCRYXEVOGVOUJF-LLVKDONJSA-N 0 1 378.885 1.919 20 0 GDADMN CN(CC(=O)NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1CCSC1 ZINC000534276088 531437925 /nfs/dbraw/zinc/43/79/25/531437925.db2.gz UWWVDDYVVWFWQY-SNVBAGLBSA-N 0 1 384.303 1.774 20 0 GDADMN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)CN(C)[C@@H]2CCSC2)s1 ZINC000534304321 531439197 /nfs/dbraw/zinc/43/91/97/531439197.db2.gz HCIMRTBJBAKQPC-NEPJUHHUSA-N 0 1 386.568 1.729 20 0 GDADMN COCCCS(=O)(=O)c1ccc(NS(=O)(=O)CC(C)(C)OC)cc1 ZINC000414382178 531446881 /nfs/dbraw/zinc/44/68/81/531446881.db2.gz OFNUORBEAMIURQ-UHFFFAOYSA-N 0 1 379.500 1.664 20 0 GDADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000267680140 531443826 /nfs/dbraw/zinc/44/38/26/531443826.db2.gz DVASDCNZTWZKOT-GFCCVEGCSA-N 0 1 390.241 1.689 20 0 GDADMN CCCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cccn1C ZINC000414372471 531443848 /nfs/dbraw/zinc/44/38/48/531443848.db2.gz BGEZPQZGLLULNY-UHFFFAOYSA-N 0 1 386.499 1.685 20 0 GDADMN Cc1cc(S(=O)(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000414456274 531454598 /nfs/dbraw/zinc/45/45/98/531454598.db2.gz IXWOIVYUZCNRIC-CQSZACIVSA-N 0 1 394.584 1.494 20 0 GDADMN Cc1c(Cl)cc(NC(=O)C(=O)N(C)CC(=O)N2CCNCC2)cc1Cl ZINC000415328368 531475216 /nfs/dbraw/zinc/47/52/16/531475216.db2.gz IHASOFAGGMBZRH-UHFFFAOYSA-N 0 1 387.267 1.131 20 0 GDADMN COc1ccc(C(=O)N2CCC[C@H](c3nc(=O)[nH][nH]3)C2)nc1Br ZINC000294377655 531475501 /nfs/dbraw/zinc/47/55/01/531475501.db2.gz URKRZNWPLCAZTF-QMMMGPOBSA-N 0 1 382.218 1.284 20 0 GDADMN CCS(=O)(=O)N(C)CC(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000487737692 531477017 /nfs/dbraw/zinc/47/70/17/531477017.db2.gz 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ZINC000532880991 597075291 /nfs/dbraw/zinc/07/52/91/597075291.db2.gz ISVJLSSQWNNQHV-IVKJLDKCSA-N 0 1 377.485 1.968 20 0 GDADMN C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000532880952 597078021 /nfs/dbraw/zinc/07/80/21/597078021.db2.gz GCHBFCWGUUQPII-GOEBONIOSA-N 0 1 376.453 1.692 20 0 GDADMN C[NH+]1CCC(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)(N2CCCCC2)CC1 ZINC000818478751 597124124 /nfs/dbraw/zinc/12/41/24/597124124.db2.gz YDOVNEJNFAJHKC-KRWDZBQOSA-N 0 1 380.533 1.833 20 0 GDADMN O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000821539594 597345353 /nfs/dbraw/zinc/34/53/53/597345353.db2.gz LJBGIMXAPJFQPM-MAUKXSAKSA-N 0 1 385.464 1.728 20 0 GDADMN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-])c1ccsc1 ZINC000818374216 597345855 /nfs/dbraw/zinc/34/58/55/597345855.db2.gz HCSQTSIRGCXAKR-HNNXBMFYSA-N 0 1 375.450 1.733 20 0 GDADMN Cc1nc(N2CC[C@H](C(=O)[O-])C2)cc(N2CC[C@H](C(=O)OC(C)(C)C)C2)[nH+]1 ZINC000821176157 597374222 /nfs/dbraw/zinc/37/42/22/597374222.db2.gz JIIOXKYESJLAGL-KBPBESRZSA-N 0 1 376.457 1.864 20 0 GDADMN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])c1 ZINC000817710512 597454728 /nfs/dbraw/zinc/45/47/28/597454728.db2.gz FGCDFMVTBQWCJZ-INIZCTEOSA-N 0 1 377.397 1.309 20 0 GDADMN Cc1nc(COC(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000822444689 607319583 /nfs/dbraw/zinc/31/95/83/607319583.db2.gz XPGKETXQPLJLDV-UHFFFAOYSA-N 0 1 381.352 1.822 20 0 GDADMN Cc1nc(COC(=O)c2ccc(COc3ccccc3-c3nn[nH]n3)o2)n[nH]1 ZINC000822444142 607319718 /nfs/dbraw/zinc/31/97/18/607319718.db2.gz CZTSPBZVNPFZFA-UHFFFAOYSA-N 0 1 381.352 1.822 20 0 GDADMN O=C(NCCc1nc[nH]n1)c1ccc(COc2ccccc2-c2nn[nH]n2)o1 ZINC000738094506 599282492 /nfs/dbraw/zinc/28/24/92/599282492.db2.gz JHFYOFZNTAXEMG-UHFFFAOYSA-N 0 1 380.368 1.129 20 0 GDADMN CCc1nc([C@H]2CN(C(=O)CCc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000736697969 599287261 /nfs/dbraw/zinc/28/72/61/599287261.db2.gz DPUAFFXTQNGCCY-CQSZACIVSA-N 0 1 382.428 1.080 20 0 GDADMN CCCc1nnc([C@H]2CN(Cc3cn4ccccc4c3-c3nn[nH]n3)CCO2)[nH]1 ZINC000736495111 599291693 /nfs/dbraw/zinc/29/16/93/599291693.db2.gz IIHPDAQQPRZRRK-OAHLLOKOSA-N 0 1 393.455 1.764 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OC[C@H]3CCC[N@H+]3CC(=O)[O-])C2)cc1 ZINC000821063809 598068838 /nfs/dbraw/zinc/06/88/38/598068838.db2.gz DSTQIKKIZVWJMJ-QZTJIDSGSA-N 0 1 388.464 1.939 20 0 GDADMN C[C@H](N(C)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O)C(C)(C)C ZINC000736095531 598232322 /nfs/dbraw/zinc/23/23/22/598232322.db2.gz GAZHDUOCGMKRCJ-HXPMCKFVSA-N 0 1 385.472 1.958 20 0 GDADMN C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736228497 598264673 /nfs/dbraw/zinc/26/46/73/598264673.db2.gz NZZXJXUMBYZTSR-KBPBESRZSA-N 0 1 393.517 1.298 20 0 GDADMN C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736228497 598264674 /nfs/dbraw/zinc/26/46/74/598264674.db2.gz NZZXJXUMBYZTSR-KBPBESRZSA-N 0 1 393.517 1.298 20 0 GDADMN CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 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CC(=O)[C@H]1CC(C(=O)N2CC[N@H+](CCC(=O)[O-])[C@H](C)C2)=NN1c1ccccc1 ZINC000833388232 605250499 /nfs/dbraw/zinc/25/04/99/605250499.db2.gz SIBQZXRRWDYYGN-RDTXWAMCSA-N 0 1 386.452 1.218 20 0 GDADMN CC(=O)[C@H]1CC(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)=NN1c1ccccc1 ZINC000833388232 605250500 /nfs/dbraw/zinc/25/05/00/605250500.db2.gz SIBQZXRRWDYYGN-RDTXWAMCSA-N 0 1 386.452 1.218 20 0 GDADMN C[C@@H]1CN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)CC[N@H+]1CCC(=O)[O-] ZINC000833620236 605258160 /nfs/dbraw/zinc/25/81/60/605258160.db2.gz VYYJOJDFICBQAH-BEFAXECRSA-N 0 1 393.459 1.206 20 0 GDADMN CCCNC(=O)C[NH+]1CCC(NC(=O)CN(C(=O)[O-])c2ccccc2)CC1 ZINC000826925563 605262978 /nfs/dbraw/zinc/26/29/78/605262978.db2.gz JDJXBAJRCSWGLP-UHFFFAOYSA-N 0 1 376.457 1.278 20 0 GDADMN CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CC1 ZINC000833688546 605282222 /nfs/dbraw/zinc/28/22/22/605282222.db2.gz UXPPEKZQOSGGKM-UHFFFAOYSA-N 0 1 381.408 1.590 20 0 GDADMN O=C([O-])NC1CC[NH+](CC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000832382554 605286936 /nfs/dbraw/zinc/28/69/36/605286936.db2.gz YWBASGBYPITLCM-HNNXBMFYSA-N 0 1 381.498 1.988 20 0 GDADMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000833577423 605339725 /nfs/dbraw/zinc/33/97/25/605339725.db2.gz QGDCCHKYUVUHOD-OAHLLOKOSA-N 0 1 383.489 1.618 20 0 GDADMN O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000834250613 605368532 /nfs/dbraw/zinc/36/85/32/605368532.db2.gz OYCBTZJTWUJMTR-ZJOUEHCJSA-N 0 1 388.439 1.959 20 0 GDADMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)CC23CCC3)C1 ZINC000834024971 605410326 /nfs/dbraw/zinc/41/03/26/605410326.db2.gz GPGNSDZSTJHHFW-LSDHHAIUSA-N 0 1 378.473 1.070 20 0 GDADMN Cc1nccn1CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833919538 605431673 /nfs/dbraw/zinc/43/16/73/605431673.db2.gz ZAQPBTAVWVYBEI-ZWKOTPCHSA-N 0 1 391.516 1.942 20 0 GDADMN Cc1nccn1CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833919536 605431866 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1 391.472 1.307 20 0 GDADMN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000833678441 605556579 /nfs/dbraw/zinc/55/65/79/605556579.db2.gz MWMQAVRGMKTAOW-AWEZNQCLSA-N 0 1 386.470 1.167 20 0 GDADMN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000833678441 605556582 /nfs/dbraw/zinc/55/65/82/605556582.db2.gz MWMQAVRGMKTAOW-AWEZNQCLSA-N 0 1 386.470 1.167 20 0 GDADMN Cn1cc(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c(-c2ccncc2)n1 ZINC000833950199 605563344 /nfs/dbraw/zinc/56/33/44/605563344.db2.gz ZOHRYMFPKYHZDR-OAHLLOKOSA-N 0 1 386.456 1.078 20 0 GDADMN Cn1cc(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c(-c2cccnc2)n1 ZINC000833948999 605563987 /nfs/dbraw/zinc/56/39/87/605563987.db2.gz KZLVYNFCXPDLBG-OAHLLOKOSA-N 0 1 386.456 1.078 20 0 GDADMN O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000834240498 605564888 /nfs/dbraw/zinc/56/48/88/605564888.db2.gz LHLXPZDPDUYRBX-MRXNPFEDSA-N 0 1 375.473 1.278 20 0 GDADMN O=C([O-])N1CC[C@@]2(C1)C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1O2 ZINC000834004355 605632882 /nfs/dbraw/zinc/63/28/82/605632882.db2.gz AEPWIWKRLSEFAX-LRDDRELGSA-N 0 1 387.358 1.901 20 0 GDADMN O=C([O-])NC1CC[NH+](CC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000832381844 605662012 /nfs/dbraw/zinc/66/20/12/605662012.db2.gz NXRARZWRMSJXBU-SFHVURJKSA-N 0 1 375.469 1.926 20 0 GDADMN C[C@H](NC(=O)C[NH+]1CCC(NC(=O)[O-])CC1)c1ccc(N2CCOC2=O)cc1 ZINC000825122005 605670088 /nfs/dbraw/zinc/67/00/88/605670088.db2.gz PQIXYWHZHCJXCM-ZDUSSCGKSA-N 0 1 390.440 1.552 20 0 GDADMN COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC000833707165 605682958 /nfs/dbraw/zinc/68/29/58/605682958.db2.gz JWRTYRRKTOSDQR-UKBAYJJMSA-N 0 1 391.464 1.780 20 0 GDADMN O=C([O-])N[C@@H]1CCC[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000834169238 605683760 /nfs/dbraw/zinc/68/37/60/605683760.db2.gz SHYADXXSJHZHGP-MANSERQUSA-N 0 1 389.496 1.812 20 0 GDADMN COC(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)[C@@H](C(=O)[O-])C1 ZINC000833705539 605684792 /nfs/dbraw/zinc/68/47/92/605684792.db2.gz CVWNRTPHEAFLEG-TZMCWYRMSA-N 0 1 380.466 1.361 20 0 GDADMN O=C([O-])NCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000834245788 605693382 /nfs/dbraw/zinc/69/33/82/605693382.db2.gz FKYVZXGGTZCFNJ-DOTOQJQBSA-N 0 1 387.436 1.660 20 0 GDADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1 ZINC000833488061 605739339 /nfs/dbraw/zinc/73/93/39/605739339.db2.gz NXEDFTPMFLCGNN-MRXNPFEDSA-N 0 1 390.484 1.813 20 0 GDADMN O=C([O-])N1CC[C@@H]([N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C2CC2)C1 ZINC000834084952 605777268 /nfs/dbraw/zinc/77/72/68/605777268.db2.gz WKYZCVJPFMCQRD-MRXNPFEDSA-N 0 1 376.457 1.141 20 0 GDADMN O=C([O-])N1CC[C@@H]([N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C2CC2)C1 ZINC000834084952 605777271 /nfs/dbraw/zinc/77/72/71/605777271.db2.gz WKYZCVJPFMCQRD-MRXNPFEDSA-N 0 1 376.457 1.141 20 0 GDADMN O=C([O-])N1CCSC[C@H]1CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000831403541 605809617 /nfs/dbraw/zinc/80/96/17/605809617.db2.gz YGPZUHAEECQDGF-IAGOWNOFSA-N 0 1 393.509 1.350 20 0 GDADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000833830939 605893356 /nfs/dbraw/zinc/89/33/56/605893356.db2.gz LJDRCNFDXJDSBP-ZFWWWQNUSA-N 0 1 388.468 1.173 20 0 GDADMN O=C([O-])N1CCC2(CC[N@@H+](CC(=O)NCCN3CCc4ccccc43)C2)CC1 ZINC000834006369 605896353 /nfs/dbraw/zinc/89/63/53/605896353.db2.gz BJEYYZPPKNTJGR-UHFFFAOYSA-N 0 1 386.496 1.631 20 0 GDADMN Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1NC(=O)[O-] ZINC000829950271 605898500 /nfs/dbraw/zinc/89/85/00/605898500.db2.gz IXLUKVREGCJHRD-MRXNPFEDSA-N 0 1 376.457 1.757 20 0 GDADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000833615069 605902817 /nfs/dbraw/zinc/90/28/17/605902817.db2.gz ZYMDGPKDONZMND-GHMZBOCLSA-N 0 1 383.395 1.838 20 0 GDADMN 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O=C([O-])N[C@H]1CC(=O)N(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000834156916 605997381 /nfs/dbraw/zinc/99/73/81/605997381.db2.gz DVKDGDDBYQHSBD-SFHVURJKSA-N 0 1 386.496 1.801 20 0 GDADMN CN(Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821615873 606085508 /nfs/dbraw/zinc/08/55/08/606085508.db2.gz SFELKDCGZCMFJS-GOEBONIOSA-N 0 1 388.497 1.907 20 0 GDADMN O=C([O-])N1CC[C@@]2(C1)C[C@H](NC1CC[NH+](CCO)CC1)c1ccccc1O2 ZINC000834088389 606091127 /nfs/dbraw/zinc/09/11/27/606091127.db2.gz WXGICRTZMKRFDI-PXNSSMCTSA-N 0 1 375.469 1.679 20 0 GDADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822009997 606108641 /nfs/dbraw/zinc/10/86/41/606108641.db2.gz JODGKFRQPLTMOZ-UHFFFAOYSA-N 0 1 381.318 1.726 20 0 GDADMN Oc1cccc(N2CCN(C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823733538 606131781 /nfs/dbraw/zinc/13/17/81/606131781.db2.gz XYGBZPJQCQCYMI-SFHVURJKSA-N 0 1 396.451 1.134 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000821762877 606152432 /nfs/dbraw/zinc/15/24/32/606152432.db2.gz RNVHBJFUFCNKIN-ZDUSSCGKSA-N 0 1 387.444 1.061 20 0 GDADMN COc1cccc([C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)N2CCCC2)c1 ZINC000821859637 606245214 /nfs/dbraw/zinc/24/52/14/606245214.db2.gz RMOULZFQPMGTRC-QGZVFWFLSA-N 0 1 381.440 1.770 20 0 GDADMN CC1(C)CN(C2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCCCC2)CCO1 ZINC000820601960 606272475 /nfs/dbraw/zinc/27/24/75/606272475.db2.gz WNVWMYNCIZRGRH-UHFFFAOYSA-N 0 1 387.488 1.738 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC(C[NH+](C)C)CC2)cc1-c1nn[n-]n1 ZINC000821970921 606280999 /nfs/dbraw/zinc/28/09/99/606280999.db2.gz UAGLYGHEPKKVCZ-UHFFFAOYSA-N 0 1 377.474 1.103 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1-c1nn[n-]n1 ZINC000821969704 606289131 /nfs/dbraw/zinc/28/91/31/606289131.db2.gz DTJGHGRHDSIPPK-JTQLQIEISA-N 0 1 377.474 1.246 20 0 GDADMN O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC(c2cnc[nH]2)CC1 ZINC000822917001 606294812 /nfs/dbraw/zinc/29/48/12/606294812.db2.gz KXUNSLJWFBFZBS-SFHVURJKSA-N 0 1 392.467 1.965 20 0 GDADMN Cc1cc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)n[nH]1 ZINC000822201078 606343239 /nfs/dbraw/zinc/34/32/39/606343239.db2.gz PUJMOXJWWCYSIP-UHFFFAOYSA-N 0 1 387.347 1.396 20 0 GDADMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000821579925 606393197 /nfs/dbraw/zinc/39/31/97/606393197.db2.gz SHBCXNPSJSCRPN-MRXNPFEDSA-N 0 1 397.414 1.363 20 0 GDADMN C[C@@]1(c2ccc(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000820628880 606414428 /nfs/dbraw/zinc/41/44/28/606414428.db2.gz PQBQJOBHNCAGGA-KRWDZBQOSA-N 0 1 383.437 1.273 20 0 GDADMN C[C@@]1(c2ccc(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000820628880 606414430 /nfs/dbraw/zinc/41/44/30/606414430.db2.gz PQBQJOBHNCAGGA-KRWDZBQOSA-N 0 1 383.437 1.273 20 0 GDADMN c1cc(-c2nnn[n-]2)sc1C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000823779721 606419144 /nfs/dbraw/zinc/41/91/44/606419144.db2.gz HQFDHOXTMMAKAD-MRXNPFEDSA-N 0 1 384.509 1.961 20 0 GDADMN c1cc(-c2nn[n-]n2)sc1C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 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CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000821586310 606736990 /nfs/dbraw/zinc/73/69/90/606736990.db2.gz SDTPWQJNYSKDDU-UHFFFAOYSA-N 0 1 382.465 1.501 20 0 GDADMN O=C(Nc1cc(-c2nn[nH]n2)ccc1Cl)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000823290063 606737394 /nfs/dbraw/zinc/73/73/94/606737394.db2.gz TWQRGMKYUNOQJN-GXTWGEPZSA-N 0 1 389.847 1.202 20 0 GDADMN Cc1n[nH]c([C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822436219 606755247 /nfs/dbraw/zinc/75/52/47/606755247.db2.gz IZXQBODAARWGTB-SMDDNHRTSA-N 0 1 381.444 1.500 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC2(CCO)CCCC2)cc1-c1nn[nH]n1 ZINC000821976469 606768811 /nfs/dbraw/zinc/76/88/11/606768811.db2.gz BBVGECRNASMASN-UHFFFAOYSA-N 0 1 378.458 1.362 20 0 GDADMN C[C@@H]1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)O1 ZINC000820678597 606864904 /nfs/dbraw/zinc/86/49/04/606864904.db2.gz WELYVYYKZYGZKF-DGCLKSJQSA-N 0 1 399.411 1.331 20 0 GDADMN Cc1nc([C@H](C)NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cs1 ZINC000822428092 606891264 /nfs/dbraw/zinc/89/12/64/606891264.db2.gz ZGDFKTSCDOEKCH-LURJTMIESA-N 0 1 386.409 1.949 20 0 GDADMN CC(C)(C)c1nc([C@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000819966253 606904345 /nfs/dbraw/zinc/90/43/45/606904345.db2.gz ZHGNKZMBLMUKTG-HUUCEWRRSA-N 0 1 398.471 1.389 20 0 GDADMN CC(C)(C)c1nnc([C@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000819966253 606904346 /nfs/dbraw/zinc/90/43/46/606904346.db2.gz ZHGNKZMBLMUKTG-HUUCEWRRSA-N 0 1 398.471 1.389 20 0 GDADMN O=C1CN(CN2CCC3(CCC3)C2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823535881 606921529 /nfs/dbraw/zinc/92/15/29/606921529.db2.gz LBASTAZWBQINHH-UHFFFAOYSA-N 0 1 381.440 1.464 20 0 GDADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000821600470 606928565 /nfs/dbraw/zinc/92/85/65/606928565.db2.gz NVBXJZUVKLTSRV-IRXDYDNUSA-N 0 1 393.513 1.923 20 0 GDADMN CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821938131 606991966 /nfs/dbraw/zinc/99/19/66/606991966.db2.gz 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O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000823127000 607217728 /nfs/dbraw/zinc/21/77/28/607217728.db2.gz QIAXNQSYALRHJE-ZDUSSCGKSA-N 0 1 380.437 1.620 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823127324 607220667 /nfs/dbraw/zinc/22/06/67/607220667.db2.gz ZYLUZLQGTMXMKV-KRWDZBQOSA-N 0 1 386.419 1.784 20 0 GDADMN Cc1cc(-c2csc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)ccc1F ZINC000822128617 607222314 /nfs/dbraw/zinc/22/23/14/607222314.db2.gz DWVLHZQNHDOXMK-UHFFFAOYSA-N 0 1 385.388 1.668 20 0 GDADMN CCN1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H]1C ZINC000825458697 607831862 /nfs/dbraw/zinc/83/18/62/607831862.db2.gz DIUFYSPHJWVHKH-NWDGAFQWSA-N 0 1 389.529 1.770 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[C@H](O)C(C)C)cc1-c1nn[nH]n1 ZINC000826229568 607835887 /nfs/dbraw/zinc/83/58/87/607835887.db2.gz JFCXCNVCUJBSIR-LLVKDONJSA-N 0 1 380.474 1.462 20 0 GDADMN Cc1ccc([C@H](OC[C@H](O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccc2)cc1 ZINC000826284544 607869103 /nfs/dbraw/zinc/86/91/03/607869103.db2.gz XAKGSKHJWXKUQT-QZTJIDSGSA-N 0 1 391.435 1.934 20 0 GDADMN CC[C@@H](C(=O)OCc1cccc(C(=O)OC)c1-c1nn[nH]n1)N(CC)CC ZINC000825039774 607914160 /nfs/dbraw/zinc/91/41/60/607914160.db2.gz WCPHQHGJZVJKIY-AWEZNQCLSA-N 0 1 375.429 1.817 20 0 GDADMN CS[C@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826225299 607932623 /nfs/dbraw/zinc/93/26/23/607932623.db2.gz YLSUNMLPXMYHSE-SNVBAGLBSA-N 0 1 377.474 1.522 20 0 GDADMN CC(C)C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)NCC[NH+](C)C ZINC000824276038 607966942 /nfs/dbraw/zinc/96/69/42/607966942.db2.gz XQZOPPJOCJAAGR-LBPRGKRZSA-N 0 1 380.884 1.420 20 0 GDADMN CC(C)C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)NCC[NH+](C)C ZINC000824276038 607966943 /nfs/dbraw/zinc/96/69/43/607966943.db2.gz XQZOPPJOCJAAGR-LBPRGKRZSA-N 0 1 380.884 1.420 20 0 GDADMN CN1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826028810 607982643 /nfs/dbraw/zinc/98/26/43/607982643.db2.gz IHSGOIUUGLUMNE-DLBZAZTESA-N 0 1 391.435 1.367 20 0 GDADMN CCOc1ccc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825638812 608018755 /nfs/dbraw/zinc/01/87/55/608018755.db2.gz PKDSMSHUSOIXRV-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN CCOc1ccc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825638812 608018756 /nfs/dbraw/zinc/01/87/56/608018756.db2.gz PKDSMSHUSOIXRV-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(s2)CCCC3)c1-c1nnn[n-]1 ZINC000826077386 608019822 /nfs/dbraw/zinc/01/98/22/608019822.db2.gz GRMMBEAULJHPIG-UHFFFAOYSA-N 0 1 386.485 1.934 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(s2)CCCC3)c1-c1nn[n-]n1 ZINC000826077386 608019823 /nfs/dbraw/zinc/01/98/23/608019823.db2.gz GRMMBEAULJHPIG-UHFFFAOYSA-N 0 1 386.485 1.934 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(F)c2Cl)c1-c1nnn[n-]1 ZINC000826084294 608019836 /nfs/dbraw/zinc/01/98/36/608019836.db2.gz YAVUVVJFZILRPT-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(F)c2Cl)c1-c1nn[n-]n1 ZINC000826084294 608019837 /nfs/dbraw/zinc/01/98/37/608019837.db2.gz YAVUVVJFZILRPT-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)cc(OC)c2O)c1-c1nnn[n-]1 ZINC000826077333 608021318 /nfs/dbraw/zinc/02/13/18/608021318.db2.gz DKEWXYZUIQGUDT-UHFFFAOYSA-N 0 1 386.416 1.017 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)cc(OC)c2O)c1-c1nn[n-]n1 ZINC000826077333 608021319 /nfs/dbraw/zinc/02/13/19/608021319.db2.gz DKEWXYZUIQGUDT-UHFFFAOYSA-N 0 1 386.416 1.017 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826077166 608021705 /nfs/dbraw/zinc/02/17/05/608021705.db2.gz BWXDEKPNHJKASR-OLZOCXBDSA-N 0 1 384.419 1.623 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826077166 608021706 /nfs/dbraw/zinc/02/17/06/608021706.db2.gz BWXDEKPNHJKASR-OLZOCXBDSA-N 0 1 384.419 1.623 20 0 GDADMN COCCO[C@@H]1CCCN(CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000826160154 608038828 /nfs/dbraw/zinc/03/88/28/608038828.db2.gz HLRBNYDNDNKARW-OAHLLOKOSA-N 0 1 377.445 1.382 20 0 GDADMN CCOC(=O)C[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825498696 608040374 /nfs/dbraw/zinc/04/03/74/608040374.db2.gz AOMFOFBHFONCBK-MRVPVSSYSA-N 0 1 380.430 1.008 20 0 GDADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826431424 608075809 /nfs/dbraw/zinc/07/58/09/608075809.db2.gz AMLDWJDEFJRJQT-HUUCEWRRSA-N 0 1 398.492 1.541 20 0 GDADMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826431424 608075810 /nfs/dbraw/zinc/07/58/10/608075810.db2.gz AMLDWJDEFJRJQT-HUUCEWRRSA-N 0 1 398.492 1.541 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC000825739744 608107504 /nfs/dbraw/zinc/10/75/04/608107504.db2.gz IRMPILZMBNWHMI-SSDOTTSWSA-N 0 1 389.807 1.017 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)n[nH]1 ZINC000825739782 608108289 /nfs/dbraw/zinc/10/82/89/608108289.db2.gz JQFKHZWHLXZJMR-LLVKDONJSA-N 0 1 397.443 1.533 20 0 GDADMN C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CC[C@H](C3CC3)C2)C1=O ZINC000824843577 608110012 /nfs/dbraw/zinc/11/00/12/608110012.db2.gz GYGNMBUZRKEBLB-IFXJQAMLSA-N 0 1 381.440 1.323 20 0 GDADMN C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CC[C@@H](C3CC3)C2)C1=O ZINC000824843578 608110076 /nfs/dbraw/zinc/11/00/76/608110076.db2.gz GYGNMBUZRKEBLB-KUHUBIRLSA-N 0 1 381.440 1.323 20 0 GDADMN CC1([C@H]2CCCN(Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)OCCO1 ZINC000824819108 608131513 /nfs/dbraw/zinc/13/15/13/608131513.db2.gz XSYNHAKPFVUTDB-HNNXBMFYSA-N 0 1 397.439 1.892 20 0 GDADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826432133 608195961 /nfs/dbraw/zinc/19/59/61/608195961.db2.gz SRHDABFERPJJNT-DYVFJYSZSA-N 0 1 378.440 1.232 20 0 GDADMN NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(Cc2cccnc2)CC1 ZINC000826389348 608209610 /nfs/dbraw/zinc/20/96/10/608209610.db2.gz VYTAQUHLDREUFN-GOSISDBHSA-N 0 1 377.452 1.743 20 0 GDADMN Cc1cccc2nc(CNC(=O)NCCOc3ccc(-c4nn[nH]n4)cc3)[nH]c21 ZINC000826304757 608237680 /nfs/dbraw/zinc/23/76/80/608237680.db2.gz WYJOORZICZYWJE-UHFFFAOYSA-N 0 1 392.423 1.930 20 0 GDADMN CCN(CC(=O)N1CCOC[C@H]1C1CC1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395955 608253732 /nfs/dbraw/zinc/25/37/32/608253732.db2.gz YOBBPDCBLHRVQC-KSSFIOAISA-N 0 1 384.484 1.887 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NCCCCN2CCN(c3ncccn3)CC2)n1 ZINC000826276353 608283612 /nfs/dbraw/zinc/28/36/12/608283612.db2.gz BSPWSSHPGWQMOG-UHFFFAOYSA-N 0 1 394.487 1.374 20 0 GDADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@H](n3cncn3)C2)c1-c1nn[nH]n1 ZINC000826332502 608313312 /nfs/dbraw/zinc/31/33/12/608313312.db2.gz WJQKIHZOYQSWBI-INIZCTEOSA-N 0 1 390.455 1.789 20 0 GDADMN CCOC(=O)C[C@@H](O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000825506464 608330005 /nfs/dbraw/zinc/33/00/05/608330005.db2.gz KISWFNXWEPDXLP-SNVBAGLBSA-N 0 1 377.788 1.149 20 0 GDADMN O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)N2CC[C@H]1C2 ZINC000826474440 608385877 /nfs/dbraw/zinc/38/58/77/608385877.db2.gz PVRYFLPIIFLNKY-HOTGVXAUSA-N 0 1 393.451 1.148 20 0 GDADMN C[C@@H](NCC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563130 608459556 /nfs/dbraw/zinc/45/95/56/608459556.db2.gz LTDDTLPKHPXQRA-DYVFJYSZSA-N 0 1 378.436 1.637 20 0 GDADMN COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826197375 608459741 /nfs/dbraw/zinc/45/97/41/608459741.db2.gz MTQYJAGLMWTOKI-ZDUSSCGKSA-N 0 1 396.451 1.851 20 0 GDADMN CCOC(=O)[C@H]1CCCCN1C(=O)CN[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825499293 608468222 /nfs/dbraw/zinc/46/82/22/608468222.db2.gz JXUFVWGJLRMADZ-CZUORRHYSA-N 0 1 386.456 1.462 20 0 GDADMN Cc1cnccc1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826319520 608475817 /nfs/dbraw/zinc/47/58/17/608475817.db2.gz GZEAJNJHAUHKEX-UHFFFAOYSA-N 0 1 395.427 1.212 20 0 GDADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000826090568 608479324 /nfs/dbraw/zinc/47/93/24/608479324.db2.gz JBVVSBUBWLABMH-NSHDSACASA-N 0 1 390.444 1.765 20 0 GDADMN C[C@H](NCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824565113 608481993 /nfs/dbraw/zinc/48/19/93/608481993.db2.gz ZHJABXFEYYWKEG-ZDUSSCGKSA-N 0 1 393.451 1.858 20 0 GDADMN O=C(C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1)N1CCCC1 ZINC000826399568 608507999 /nfs/dbraw/zinc/50/79/99/608507999.db2.gz ZPBHDADDYAUKMG-UHFFFAOYSA-N 0 1 380.456 1.349 20 0 GDADMN Cn1cc([C@@H](NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C(C)(C)C)cn1 ZINC000826359984 608554469 /nfs/dbraw/zinc/55/44/69/608554469.db2.gz UJFXVWYEUOIJFS-QGZVFWFLSA-N 0 1 382.472 1.593 20 0 GDADMN c1nn2ccccc2c1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826525039 608591225 /nfs/dbraw/zinc/59/12/25/608591225.db2.gz TZUFWXCRUJFECD-UHFFFAOYSA-N 0 1 391.439 1.702 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000826425644 608592577 /nfs/dbraw/zinc/59/25/77/608592577.db2.gz MKQXPTPEKALXJH-UHFFFAOYSA-N 0 1 386.379 1.436 20 0 GDADMN CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000823967161 608738331 /nfs/dbraw/zinc/73/83/31/608738331.db2.gz JLQRRBVTBOJKNO-LBPRGKRZSA-N 0 1 388.457 1.243 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000825001358 608834297 /nfs/dbraw/zinc/83/42/97/608834297.db2.gz ZTHFSQUPUMVJGJ-AWEZNQCLSA-N 0 1 387.451 1.916 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000825001358 608834299 /nfs/dbraw/zinc/83/42/99/608834299.db2.gz ZTHFSQUPUMVJGJ-AWEZNQCLSA-N 0 1 387.451 1.916 20 0 GDADMN Cc1cc(C(=O)N2CCN(CC(C)C)CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826258069 609141193 /nfs/dbraw/zinc/14/11/93/609141193.db2.gz YIJXOZWAJIGQPU-UHFFFAOYSA-N 0 1 394.483 1.775 20 0 GDADMN C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545473 609145978 /nfs/dbraw/zinc/14/59/78/609145978.db2.gz CQLHJSLCYHWYGE-MEDUHNTESA-N 0 1 384.419 1.586 20 0 GDADMN O=C(Cc1cccc(-c2nn[nH]n2)c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000826422925 609170730 /nfs/dbraw/zinc/17/07/30/609170730.db2.gz RELODFULPIAPFJ-UHFFFAOYSA-N 0 1 398.511 1.760 20 0 GDADMN Fc1ccc(-c2nnc3n2C[C@H]([NH2+]Cc2ccc(-c4nn[n-]n4)o2)CC3)cc1 ZINC000826372630 609172839 /nfs/dbraw/zinc/17/28/39/609172839.db2.gz GCLDIYZIPZMYCY-CYBMUJFWSA-N 0 1 380.387 1.962 20 0 GDADMN COc1cccc([C@H](CNC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)N(C)C)c1 ZINC000826214102 609187723 /nfs/dbraw/zinc/18/77/23/609187723.db2.gz AHEPZIDTGQJHDA-ROUUACIJSA-N 0 1 396.451 1.328 20 0 GDADMN Cc1cccc(N2CCN(CCCNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)c1 ZINC000826298994 609195269 /nfs/dbraw/zinc/19/52/69/609195269.db2.gz NMKHZLJXYFPXJB-UHFFFAOYSA-N 0 1 394.483 1.445 20 0 GDADMN Cc1ncc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)n1 ZINC000826329957 609253779 /nfs/dbraw/zinc/25/37/79/609253779.db2.gz ZKRCPLQGKBDZHE-UHFFFAOYSA-N 0 1 392.467 1.622 20 0 GDADMN CCOC(=O)CN(CC(C)C)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825511897 609266816 /nfs/dbraw/zinc/26/68/16/609266816.db2.gz KBMXOURWGDHRNP-UHFFFAOYSA-N 0 1 394.457 1.351 20 0 GDADMN CCC(CC)N(CCOC)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825107944 609297953 /nfs/dbraw/zinc/29/79/53/609297953.db2.gz SLYQJBVHLFWEJQ-UHFFFAOYSA-N 0 1 380.474 1.966 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2cc(C(N)=O)ccc2C)cc1-c1nn[nH]n1 ZINC000826229926 609298737 /nfs/dbraw/zinc/29/87/37/609298737.db2.gz WXYAWVYJZPXCRC-UHFFFAOYSA-N 0 1 385.409 1.349 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2nc3ccccc3n2C)cc1-c1nn[nH]n1 ZINC000826229919 609298957 /nfs/dbraw/zinc/29/89/57/609298957.db2.gz WTBARGYUZVVXTI-UHFFFAOYSA-N 0 1 396.436 1.506 20 0 GDADMN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640797 609318475 /nfs/dbraw/zinc/31/84/75/609318475.db2.gz PBYYRUVKNISHPS-OLZOCXBDSA-N 0 1 391.501 1.193 20 0 GDADMN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824640797 609318476 /nfs/dbraw/zinc/31/84/76/609318476.db2.gz PBYYRUVKNISHPS-OLZOCXBDSA-N 0 1 391.501 1.193 20 0 GDADMN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824640797 609318477 /nfs/dbraw/zinc/31/84/77/609318477.db2.gz PBYYRUVKNISHPS-OLZOCXBDSA-N 0 1 391.501 1.193 20 0 GDADMN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824640797 609318478 /nfs/dbraw/zinc/31/84/78/609318478.db2.gz PBYYRUVKNISHPS-OLZOCXBDSA-N 0 1 391.501 1.193 20 0 GDADMN CN(C)c1nccc(CNCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825886983 609344834 /nfs/dbraw/zinc/34/48/34/609344834.db2.gz AVPUHNSAUJINJF-UHFFFAOYSA-N 0 1 390.455 1.413 20 0 GDADMN C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1)c1nnc[nH]1 ZINC000824507157 609360963 /nfs/dbraw/zinc/36/09/63/609360963.db2.gz VBDUAXBWGBJHJR-QMMMGPOBSA-N 0 1 383.351 1.192 20 0 GDADMN C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000824947159 609538570 /nfs/dbraw/zinc/53/85/70/609538570.db2.gz MVGHKVIROPQKQK-NSHDSACASA-N 0 1 384.893 1.530 20 0 GDADMN CCN1C[C@@H](C)N(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C[C@@H]1C ZINC000825443836 609604757 /nfs/dbraw/zinc/60/47/57/609604757.db2.gz GWZOTHWYOOIXOT-LSDHHAIUSA-N 0 1 394.483 1.916 20 0 GDADMN 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CCc1nc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)co1 ZINC001571282239 945836610 /nfs/dbraw/zinc/83/66/10/945836610.db2.gz VTPOBYHYTVWIIY-NSHDSACASA-N 0 1 387.469 1.825 20 0 GDADMN O=C(Cc1ccc(F)cn1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282906 945865274 /nfs/dbraw/zinc/86/52/74/945865274.db2.gz VHZTZGDAUYVWDT-JOCQHMNTSA-N 0 1 387.444 1.442 20 0 GDADMN O=C(Cc1ccc(F)cn1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282906 945865283 /nfs/dbraw/zinc/86/52/83/945865283.db2.gz VHZTZGDAUYVWDT-JOCQHMNTSA-N 0 1 387.444 1.442 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571283077 945872148 /nfs/dbraw/zinc/87/21/48/945872148.db2.gz YVEBBUPIJWYMFO-ZIAGYGMSSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571283077 945872161 /nfs/dbraw/zinc/87/21/61/945872161.db2.gz YVEBBUPIJWYMFO-ZIAGYGMSSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571283077 945872174 /nfs/dbraw/zinc/87/21/74/945872174.db2.gz YVEBBUPIJWYMFO-ZIAGYGMSSA-N 0 1 387.463 1.751 20 0 GDADMN CC[C@H](C(=O)N1CCC(CC)(Nc2cncc(-c3nnn[n-]3)n2)CC1)[NH+](C)C ZINC001571283375 945884227 /nfs/dbraw/zinc/88/42/27/945884227.db2.gz DKAOXKKXHYWRFQ-CQSZACIVSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@H](C(=O)N1CCC(CC)(Nc2cncc(-c3nn[n-]n3)n2)CC1)[NH+](C)C ZINC001571283375 945884243 /nfs/dbraw/zinc/88/42/43/945884243.db2.gz DKAOXKKXHYWRFQ-CQSZACIVSA-N 0 1 387.492 1.180 20 0 GDADMN Cc1cc(F)ccc1[C@H](O)CN1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000822205934 945990879 /nfs/dbraw/zinc/99/08/79/945990879.db2.gz NUHKEABXRROPFQ-QGZVFWFLSA-N 0 1 383.431 1.565 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571290518 946044742 /nfs/dbraw/zinc/04/47/42/946044742.db2.gz HXIORFAGUATWMK-UWVGGRQHSA-N 0 1 388.819 1.288 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571290519 946044896 /nfs/dbraw/zinc/04/48/96/946044896.db2.gz HXIORFAGUATWMK-VHSXEESVSA-N 0 1 388.819 1.288 20 0 GDADMN CC[C@@H](F)C(=O)N1CCO[C@@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571294907 946148502 /nfs/dbraw/zinc/14/85/02/946148502.db2.gz PSVARUWQVXWHHH-JGVFFNPUSA-N 0 1 389.844 1.364 20 0 GDADMN O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571297851 946199437 /nfs/dbraw/zinc/19/94/37/946199437.db2.gz BGYRQFQBJCRINR-HRCADAONSA-N 0 1 390.451 1.285 20 0 GDADMN Cc1ccnc(C(=O)N2C[C@H]3CCN(Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)n1 ZINC001571298374 946214161 /nfs/dbraw/zinc/21/41/61/946214161.db2.gz FSDIQWMKPQLNSB-IAGOWNOFSA-N 0 1 390.451 1.312 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1csnn1 ZINC001571298739 946228645 /nfs/dbraw/zinc/22/86/45/946228645.db2.gz QHQUCWXPOAHEHD-UWVGGRQHSA-N 0 1 390.498 1.563 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1csnn1 ZINC001571298739 946228655 /nfs/dbraw/zinc/22/86/55/946228655.db2.gz QHQUCWXPOAHEHD-UWVGGRQHSA-N 0 1 390.498 1.563 20 0 GDADMN O=C(NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1csc(Cl)n1 ZINC001571299033 946238642 /nfs/dbraw/zinc/23/86/42/946238642.db2.gz HTBTZOOKCLUNMT-UHFFFAOYSA-N 0 1 390.860 1.414 20 0 GDADMN C[C@@H]1CO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001571299333 946247148 /nfs/dbraw/zinc/24/71/48/946247148.db2.gz KZGODLZQIRICFE-ABHRYQDASA-N 0 1 390.513 1.870 20 0 GDADMN C[C@@H]1CO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)C1 ZINC001571299333 946247160 /nfs/dbraw/zinc/24/71/60/946247160.db2.gz KZGODLZQIRICFE-ABHRYQDASA-N 0 1 390.513 1.870 20 0 GDADMN C[C@@H]1CN(C(=O)C2=COCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571299455 946251922 /nfs/dbraw/zinc/25/19/22/946251922.db2.gz WKEULQLZADMWLL-DGCLKSJQSA-N 0 1 390.469 1.143 20 0 GDADMN C[C@@H]1CN(C(=O)C2=COCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571299455 946251931 /nfs/dbraw/zinc/25/19/31/946251931.db2.gz WKEULQLZADMWLL-DGCLKSJQSA-N 0 1 390.469 1.143 20 0 GDADMN CCO[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571300276 946277648 /nfs/dbraw/zinc/27/76/48/946277648.db2.gz YQPVDHWNSPQTJO-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN CCO[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571300276 946277661 /nfs/dbraw/zinc/27/76/61/946277661.db2.gz YQPVDHWNSPQTJO-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN O=C(NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ncc(Cl)s1 ZINC001571300272 946278654 /nfs/dbraw/zinc/27/86/54/946278654.db2.gz YOIFGCBKGNASDP-KYZUINATSA-N 0 1 390.860 1.414 20 0 GDADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(F)(F)C1 ZINC001571301825 946285113 /nfs/dbraw/zinc/28/51/13/946285113.db2.gz FFPILUSATHCTON-BETUJISGSA-N 0 1 391.426 1.919 20 0 GDADMN O=C(NC[C@H]1CCCN1c1nc(-c2nn[nH]n2)c(Cl)s1)c1ccnnc1 ZINC001571306552 946404611 /nfs/dbraw/zinc/40/46/11/946404611.db2.gz XFMBGIZHHNFHHX-SECBINFHSA-N 0 1 391.848 1.165 20 0 GDADMN CCS(=O)(=O)C1(CNC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)CC1 ZINC001571308304 946431485 /nfs/dbraw/zinc/43/14/85/946431485.db2.gz NXSZNFCOULNCPP-UHFFFAOYSA-N 0 1 391.866 1.065 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001571310777 946478140 /nfs/dbraw/zinc/47/81/40/946478140.db2.gz MLIKGCFPJWGNIB-ZBFHGGJFSA-N 0 1 392.467 1.675 20 0 GDADMN CCc1cncc(C(=O)N2CCC(Nc3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)c1 ZINC001571313827 946535706 /nfs/dbraw/zinc/53/57/06/946535706.db2.gz WWNXSEFNUVWHET-UHFFFAOYSA-N 0 1 392.467 1.666 20 0 GDADMN Cc1cc(C)nc(C(=O)N2CCC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571314715 946543248 /nfs/dbraw/zinc/54/32/48/946543248.db2.gz AYNYFCRLLRTTHZ-HNNXBMFYSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1cc(C)nc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571314756 946544481 /nfs/dbraw/zinc/54/44/81/946544481.db2.gz CEJGLYLBTRPOGV-OAHLLOKOSA-N 0 1 392.467 1.933 20 0 GDADMN Cc1ccc(C)c(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571314903 946545103 /nfs/dbraw/zinc/54/51/03/946545103.db2.gz DDAXUVPWVMEFDP-GJZGRUSLSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cccc(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571315627 946554818 /nfs/dbraw/zinc/55/48/18/946554818.db2.gz MMYUQEYFXYXDFK-CABCVRRESA-N 0 1 392.467 1.706 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCC2 ZINC001571317126 946601004 /nfs/dbraw/zinc/60/10/04/946601004.db2.gz VWFUKHKJGLTKCS-MRXNPFEDSA-N 0 1 392.467 1.404 20 0 GDADMN CCc1[nH]ccc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571317314 946607383 /nfs/dbraw/zinc/60/73/83/946607383.db2.gz CDEQQFODDXZBMN-MRVPVSSYSA-N 0 1 392.876 1.876 20 0 GDADMN CCN1C[C@@H](NS(=O)(=O)Cc2c(C)cc(-c3nn[nH]n3)cc2C)C(C)(C)C1 ZINC001571317418 946609377 /nfs/dbraw/zinc/60/93/77/946609377.db2.gz HFUBXGRPXPUHCB-MRXNPFEDSA-N 0 1 392.529 1.633 20 0 GDADMN CN(c1nc(-c2nn[nH]n2)c(Cl)s1)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001571317833 946620767 /nfs/dbraw/zinc/62/07/67/946620767.db2.gz WTKCUVHINAPMOH-JTQLQIEISA-N 0 1 392.876 1.666 20 0 GDADMN Cc1c(C(=O)N[C@@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)ccn1C ZINC001571317941 946624087 /nfs/dbraw/zinc/62/40/87/946624087.db2.gz ZNIJJSLNBJYJLZ-SECBINFHSA-N 0 1 392.876 1.632 20 0 GDADMN C[C@@H](NC(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)c1nnc[nH]1 ZINC000824499935 946746105 /nfs/dbraw/zinc/74/61/05/946746105.db2.gz SWXWBIGBSIIACU-QFWMXSHPSA-N 0 1 398.431 1.130 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCc1cccc(F)c1 ZINC000824999938 947034285 /nfs/dbraw/zinc/03/42/85/947034285.db2.gz KURBCKRJKYDCMB-AWEZNQCLSA-N 0 1 382.447 1.939 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCc1cccc(F)c1 ZINC000824999938 947034300 /nfs/dbraw/zinc/03/43/00/947034300.db2.gz KURBCKRJKYDCMB-AWEZNQCLSA-N 0 1 382.447 1.939 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCCc1cccc(F)c1 ZINC000824999938 947034311 /nfs/dbraw/zinc/03/43/11/947034311.db2.gz KURBCKRJKYDCMB-AWEZNQCLSA-N 0 1 382.447 1.939 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCCc1cccc(F)c1 ZINC000824999938 947034324 /nfs/dbraw/zinc/03/43/24/947034324.db2.gz KURBCKRJKYDCMB-AWEZNQCLSA-N 0 1 382.447 1.939 20 0 GDADMN C[C@@H]1COc2ccccc2CN1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825006915 947039272 /nfs/dbraw/zinc/03/92/72/947039272.db2.gz SNDISLQVWQKINI-PBHICJAKSA-N 0 1 381.436 1.890 20 0 GDADMN CCC[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1)c1nn[nH]n1 ZINC000825242050 947130948 /nfs/dbraw/zinc/13/09/48/947130948.db2.gz GXIBNDLHSZKXOV-ZDUSSCGKSA-N 0 1 393.415 1.145 20 0 GDADMN CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2nnc[nH]2)cc1-c1nn[nH]n1 ZINC000825539102 947216572 /nfs/dbraw/zinc/21/65/72/947216572.db2.gz MRSGBNZWVAWEPR-MRVPVSSYSA-N 0 1 386.376 1.436 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCCCC1 ZINC001573586919 947297945 /nfs/dbraw/zinc/29/79/45/947297945.db2.gz UMLXFEBMBXVJHC-LSDHHAIUSA-N 0 1 386.504 1.785 20 0 GDADMN C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(C)(F)F ZINC001573593077 947360890 /nfs/dbraw/zinc/36/08/90/947360890.db2.gz IHCQMHVWKIHKRR-MWLCHTKSSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573603339 947484789 /nfs/dbraw/zinc/48/47/89/947484789.db2.gz KKKJUONDXUKVCY-GUYCJALGSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573616918 947629351 /nfs/dbraw/zinc/62/93/51/947629351.db2.gz ZGJTZLYRWXXHHH-BFUOFWGJSA-N 0 1 384.488 1.555 20 0 GDADMN C=Cc1ccc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)cc1 ZINC001573354594 947633419 /nfs/dbraw/zinc/63/34/19/947633419.db2.gz FCKWSQMEAJOYPP-CZUORRHYSA-N 0 1 390.451 1.542 20 0 GDADMN COc1cccc2c1CCN(C(=O)c1cc(-c3nn[nH]n3)c(SC)[nH]c1=O)C2 ZINC000826217866 947642021 /nfs/dbraw/zinc/64/20/21/947642021.db2.gz GBRYXMFIIOAJRT-UHFFFAOYSA-N 0 1 398.448 1.896 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2nncn2-c2ccccc2)cc1-c1nn[nH]n1 ZINC000826230000 947672262 /nfs/dbraw/zinc/67/22/62/947672262.db2.gz ZMBQKGYVCZZUEZ-UHFFFAOYSA-N 0 1 395.408 1.522 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(F)c1 ZINC001573626555 947712242 /nfs/dbraw/zinc/71/22/42/947712242.db2.gz VHCMLDPOJPTBLZ-RISCZKNCSA-N 0 1 382.403 1.034 20 0 GDADMN CC(=O)CCCC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573366526 947743614 /nfs/dbraw/zinc/74/36/14/947743614.db2.gz RTZFHTNVVBTPGK-UHFFFAOYSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573366526 947743622 /nfs/dbraw/zinc/74/36/22/947743622.db2.gz RTZFHTNVVBTPGK-UHFFFAOYSA-N 0 1 376.486 1.767 20 0 GDADMN C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573640091 947849764 /nfs/dbraw/zinc/84/97/64/947849764.db2.gz FKAVMCBWPKFVOF-AAEUAGOBSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573640091 947849773 /nfs/dbraw/zinc/84/97/73/947849773.db2.gz FKAVMCBWPKFVOF-AAEUAGOBSA-N 0 1 376.486 1.291 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573380738 947862808 /nfs/dbraw/zinc/86/28/08/947862808.db2.gz HBDKIAZWANKCOQ-QKDCVEJESA-N 0 1 388.497 1.482 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573380738 947862813 /nfs/dbraw/zinc/86/28/13/947862813.db2.gz HBDKIAZWANKCOQ-QKDCVEJESA-N 0 1 388.497 1.482 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573380738 947862820 /nfs/dbraw/zinc/86/28/20/947862820.db2.gz HBDKIAZWANKCOQ-QKDCVEJESA-N 0 1 388.497 1.482 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573380738 947862826 /nfs/dbraw/zinc/86/28/26/947862826.db2.gz HBDKIAZWANKCOQ-QKDCVEJESA-N 0 1 388.497 1.482 20 0 GDADMN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1-c1nn[nH]n1 ZINC000826299578 947867332 /nfs/dbraw/zinc/86/73/32/947867332.db2.gz LOXSOKSOTCCDQW-UHFFFAOYSA-N 0 1 399.436 1.166 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)C(C)(F)F ZINC001573645964 947872068 /nfs/dbraw/zinc/87/20/68/947872068.db2.gz FDLUMEKPLIWUNP-MFKMUULPSA-N 0 1 382.390 1.988 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H](C)N(C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573381947 947881394 /nfs/dbraw/zinc/88/13/94/947881394.db2.gz ZZKTXDCTVBURRD-LBPRGKRZSA-N 0 1 376.436 1.702 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573383511 947891939 /nfs/dbraw/zinc/89/19/39/947891939.db2.gz URNWECJEKCHDFO-ZDUSSCGKSA-N 0 1 386.460 1.137 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C(C)(F)F ZINC001573650945 947915566 /nfs/dbraw/zinc/91/55/66/947915566.db2.gz GHSDHLQQXDGPOW-TUAOUCFPSA-N 0 1 392.414 1.233 20 0 GDADMN C[C@H](C(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573652258 947933385 /nfs/dbraw/zinc/93/33/85/947933385.db2.gz BYWYKJOJZFNTKT-BFUOFWGJSA-N 0 1 380.456 1.443 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573657664 948002849 /nfs/dbraw/zinc/00/28/49/948002849.db2.gz OJKLHXAQXKIANK-SECBINFHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2)n1cccc1 ZINC001573663121 948033172 /nfs/dbraw/zinc/03/31/72/948033172.db2.gz JDOTYBHRNBUMLH-RHSMWYFYSA-N 0 1 392.467 1.800 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826346807 948046004 /nfs/dbraw/zinc/04/60/04/948046004.db2.gz WFLMTTLTKRZINY-CJNGLKHVSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826346807 948046014 /nfs/dbraw/zinc/04/60/14/948046014.db2.gz WFLMTTLTKRZINY-CJNGLKHVSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826346807 948046027 /nfs/dbraw/zinc/04/60/27/948046027.db2.gz WFLMTTLTKRZINY-CJNGLKHVSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826346807 948046036 /nfs/dbraw/zinc/04/60/36/948046036.db2.gz WFLMTTLTKRZINY-CJNGLKHVSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826347454 948054040 /nfs/dbraw/zinc/05/40/40/948054040.db2.gz ROHKXEAUSGLBLK-OAHLLOKOSA-N 0 1 381.440 1.486 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826347454 948054045 /nfs/dbraw/zinc/05/40/45/948054045.db2.gz ROHKXEAUSGLBLK-OAHLLOKOSA-N 0 1 381.440 1.486 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347454 948054056 /nfs/dbraw/zinc/05/40/56/948054056.db2.gz ROHKXEAUSGLBLK-OAHLLOKOSA-N 0 1 381.440 1.486 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826347454 948054064 /nfs/dbraw/zinc/05/40/64/948054064.db2.gz ROHKXEAUSGLBLK-OAHLLOKOSA-N 0 1 381.440 1.486 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347552 948055449 /nfs/dbraw/zinc/05/54/49/948055449.db2.gz VDJDMIUAQYLTEG-MRXNPFEDSA-N 0 1 395.467 1.386 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347552 948055458 /nfs/dbraw/zinc/05/54/58/948055458.db2.gz VDJDMIUAQYLTEG-MRXNPFEDSA-N 0 1 395.467 1.386 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347552 948055468 /nfs/dbraw/zinc/05/54/68/948055468.db2.gz VDJDMIUAQYLTEG-MRXNPFEDSA-N 0 1 395.467 1.386 20 0 GDADMN Cc1onc(CC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347552 948055480 /nfs/dbraw/zinc/05/54/80/948055480.db2.gz VDJDMIUAQYLTEG-MRXNPFEDSA-N 0 1 395.467 1.386 20 0 GDADMN C[C@@H](C(=O)N[C@@]1(CO)CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573664637 948057638 /nfs/dbraw/zinc/05/76/38/948057638.db2.gz WBZVBOJFUCSNCX-VLIAUNLRSA-N 0 1 384.484 1.356 20 0 GDADMN C[C@@H](C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573664814 948061965 /nfs/dbraw/zinc/06/19/65/948061965.db2.gz GYGNRQUUNZAHIP-NFOMZHRRSA-N 0 1 380.456 1.586 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CCC1 ZINC001573675904 948122387 /nfs/dbraw/zinc/12/23/87/948122387.db2.gz RPFDKQNUDPNLJZ-JSGCOSHPSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CCCC1 ZINC001573677805 948140951 /nfs/dbraw/zinc/14/09/51/948140951.db2.gz FHKUOSKBJIEAIL-OCCSQVGLSA-N 0 1 384.488 1.814 20 0 GDADMN CC(=O)N1C[C@@H](C)OC2(CCN(Cc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001573426031 948154252 /nfs/dbraw/zinc/15/42/52/948154252.db2.gz GXEAPWFAQCQHBN-CYBMUJFWSA-N 0 1 388.447 1.608 20 0 GDADMN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccn1 ZINC001573679031 948158550 /nfs/dbraw/zinc/15/85/50/948158550.db2.gz HQCDSPNKJOCHPS-RISCZKNCSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccn1 ZINC001573679031 948158554 /nfs/dbraw/zinc/15/85/54/948158554.db2.gz HQCDSPNKJOCHPS-RISCZKNCSA-N 0 1 386.485 1.370 20 0 GDADMN CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573434282 948213732 /nfs/dbraw/zinc/21/37/32/948213732.db2.gz PQKLQMSWASPEEB-DGCLKSJQSA-N 0 1 383.378 1.451 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573681877 948217327 /nfs/dbraw/zinc/21/73/27/948217327.db2.gz YIGPHSOVFRIODR-ZWNOBZJWSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC001573691823 948247474 /nfs/dbraw/zinc/24/74/74/948247474.db2.gz KBKPOGXYTUKKFV-MLGOLLRUSA-N 0 1 390.463 1.399 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001573693674 948285830 /nfs/dbraw/zinc/28/58/30/948285830.db2.gz ASMUHSQVZQFVJH-DARAHFNDSA-N 0 1 378.440 1.123 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@H](C)C(=O)[O-] ZINC001602757122 971470262 /nfs/dbraw/zinc/47/02/62/971470262.db2.gz BKLOTRKPRCYKEO-GDBMZVCRSA-N 0 1 385.505 1.935 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573702312 948345053 /nfs/dbraw/zinc/34/50/53/948345053.db2.gz DSTKMBUXTJYSMF-DGCLKSJQSA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573702313 948345475 /nfs/dbraw/zinc/34/54/75/948345475.db2.gz DSTKMBUXTJYSMF-WCQYABFASA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573704107 948365228 /nfs/dbraw/zinc/36/52/28/948365228.db2.gz PANQSFAQONHMMP-ZIAGYGMSSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@H](C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1)C1CC1 ZINC001573730029 948576136 /nfs/dbraw/zinc/57/61/36/948576136.db2.gz KMZZRIGOIWTHDM-LBPRGKRZSA-N 0 1 378.440 1.353 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1c(F)cccc1F ZINC001573731807 948596385 /nfs/dbraw/zinc/59/63/85/948596385.db2.gz HQMNXIVZVXMBOZ-VHSXEESVSA-N 0 1 388.382 1.077 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(F)c1 ZINC001573736507 948616124 /nfs/dbraw/zinc/61/61/24/948616124.db2.gz ZDMRTQPAZRQCGG-BXUZGUMPSA-N 0 1 382.403 1.294 20 0 GDADMN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573740027 948627403 /nfs/dbraw/zinc/62/74/03/948627403.db2.gz JMUDFFLJEKIUFV-PILAGYSTSA-N 0 1 392.467 1.546 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573752509 948713801 /nfs/dbraw/zinc/71/38/01/948713801.db2.gz NOYFNQFHTNSDNE-XOBFJNJYSA-N 0 1 384.488 1.526 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CCC1 ZINC001573753420 948718554 /nfs/dbraw/zinc/71/85/54/948718554.db2.gz UQDOAIYGEOYWEN-MTYBJYJGSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573753730 948720838 /nfs/dbraw/zinc/72/08/38/948720838.db2.gz XKKUVARKITWFTL-ATGSNQNLSA-N 0 1 391.439 1.081 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575222154 948754762 /nfs/dbraw/zinc/75/47/62/948754762.db2.gz FPDMJLLNSLLRST-MNOVXSKESA-N 0 1 392.414 1.211 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnc[nH]1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574915865 948774646 /nfs/dbraw/zinc/77/46/46/948774646.db2.gz YIKNZKSYYDXYNM-JTQLQIEISA-N 0 1 389.851 1.212 20 0 GDADMN C[C@H](C(=O)Nc1nccc(-c2ccc(F)c(F)c2)n1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755645 948775921 /nfs/dbraw/zinc/77/59/21/948775921.db2.gz RRAHCHMFXFWBCL-MRVPVSSYSA-N 0 1 398.337 1.393 20 0 GDADMN CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575226963 948820137 /nfs/dbraw/zinc/82/01/37/948820137.db2.gz QHQJWJPKPJGCSS-PHIMTYICSA-N 0 1 378.387 1.272 20 0 GDADMN CC(C)c1ccoc1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574421756 948823656 /nfs/dbraw/zinc/82/36/56/948823656.db2.gz OAKFFYZHOQMRLZ-LBPRGKRZSA-N 0 1 382.428 1.724 20 0 GDADMN CC(F)(F)CC(=O)N1CCC2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575227629 948832657 /nfs/dbraw/zinc/83/26/57/948832657.db2.gz XCOUOCIGKUHWGH-UHFFFAOYSA-N 0 1 392.414 1.521 20 0 GDADMN C[C@H](CNC(=O)CCC[NH+](C)C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574918571 948850396 /nfs/dbraw/zinc/85/03/96/948850396.db2.gz NQKCWIGQROOIRS-SECBINFHSA-N 0 1 386.913 1.259 20 0 GDADMN C[C@H](CNC(=O)CCC[NH+](C)C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574918571 948850412 /nfs/dbraw/zinc/85/04/12/948850412.db2.gz NQKCWIGQROOIRS-SECBINFHSA-N 0 1 386.913 1.259 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)Cc2csc(-c3nn[nH]n3)c2)n[nH]1 ZINC001574426925 948894866 /nfs/dbraw/zinc/89/48/66/948894866.db2.gz WWIAODFPYXFWQC-MRVPVSSYSA-N 0 1 382.475 1.350 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574088055 948906831 /nfs/dbraw/zinc/90/68/31/948906831.db2.gz ACYDAIFPHOVUTQ-YXISZKLHSA-N 0 1 384.459 1.844 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234846 948908372 /nfs/dbraw/zinc/90/83/72/948908372.db2.gz HLHFZPDIXTVXJC-NEPJUHHUSA-N 0 1 392.414 1.519 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574432901 948942166 /nfs/dbraw/zinc/94/21/66/948942166.db2.gz OSLSCUQURXQMNM-RYUDHWBXSA-N 0 1 381.444 1.216 20 0 GDADMN CC(C)(C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573771871 948946538 /nfs/dbraw/zinc/94/65/38/948946538.db2.gz MXTFSHMOQODBNH-UHFFFAOYSA-N 0 1 383.378 1.579 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575237537 948947577 /nfs/dbraw/zinc/94/75/77/948947577.db2.gz HASHWVQEDCCKJQ-WDEREUQCSA-N 0 1 380.403 1.211 20 0 GDADMN CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575238354 948950684 /nfs/dbraw/zinc/95/06/84/948950684.db2.gz LBXJYSVPDGFUEO-NSHDSACASA-N 0 1 380.403 1.425 20 0 GDADMN CC(C)(C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573775280 949040328 /nfs/dbraw/zinc/04/03/28/949040328.db2.gz VOZLBPKXAPPWOX-LBPRGKRZSA-N 0 1 383.378 1.579 20 0 GDADMN CC(C)(C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573778951 949050927 /nfs/dbraw/zinc/05/09/27/949050927.db2.gz AMFXIQMNEMWJEO-UHFFFAOYSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573779452 949061576 /nfs/dbraw/zinc/06/15/76/949061576.db2.gz IKDSQJNKVJYHQQ-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)c1nocc1C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574442184 949092741 /nfs/dbraw/zinc/09/27/41/949092741.db2.gz LDYSYEKCSUVDIA-UHFFFAOYSA-N 0 1 382.428 1.772 20 0 GDADMN CC(C)c1nocc1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574443313 949110123 /nfs/dbraw/zinc/11/01/23/949110123.db2.gz XQQDFYDYMHHQCC-UHFFFAOYSA-N 0 1 383.416 1.121 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001574094628 949141741 /nfs/dbraw/zinc/14/17/41/949141741.db2.gz YZPGAIHNJRJYQX-UONOGXRCSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)c1ocnc1C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001574447077 949149796 /nfs/dbraw/zinc/14/97/96/949149796.db2.gz FLESOEJLWJOLTI-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C(F)(F)F ZINC001573787577 949181758 /nfs/dbraw/zinc/18/17/58/949181758.db2.gz XNMWRDYVVMNQGP-IAZYJMLFSA-N 0 1 381.362 1.401 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001574937185 949222492 /nfs/dbraw/zinc/22/24/92/949222492.db2.gz LXDCSWVQJWVGER-NSHDSACASA-N 0 1 387.394 1.369 20 0 GDADMN CC(C)c1oncc1C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574451545 949237972 /nfs/dbraw/zinc/23/79/72/949237972.db2.gz RWQWLFCNRRHUIH-UHFFFAOYSA-N 0 1 381.440 1.840 20 0 GDADMN C[C@@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574938379 949243275 /nfs/dbraw/zinc/24/32/75/949243275.db2.gz UNQBUOCKPTVLAJ-UAGQMJEPSA-N 0 1 391.479 1.869 20 0 GDADMN C[C@H](c1ncccn1)N1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001575521226 949259879 /nfs/dbraw/zinc/25/98/79/949259879.db2.gz DRFYKXBWWASHDQ-JHJVBQTASA-N 0 1 381.444 1.044 20 0 GDADMN C[C@@H](NC(=O)C1=COCCC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575257768 949282458 /nfs/dbraw/zinc/28/24/58/949282458.db2.gz BRXIUIZOVJERLJ-GFCCVEGCSA-N 0 1 386.431 1.637 20 0 GDADMN C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)C1 ZINC001576153363 949287181 /nfs/dbraw/zinc/28/71/81/949287181.db2.gz LZSKDQPGJSAQBK-ZQDZILKHSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H](Nc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H](C)NC(=O)C1=COCCC1 ZINC001575258485 949302955 /nfs/dbraw/zinc/30/29/55/949302955.db2.gz IABMKBGYJZOSJV-JGVFFNPUSA-N 0 1 383.865 1.976 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703089 949306826 /nfs/dbraw/zinc/30/68/26/949306826.db2.gz QNFOACKAGSWKSP-UHLUBPPHSA-N 0 1 389.844 1.364 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260818 949362887 /nfs/dbraw/zinc/36/28/87/949362887.db2.gz XSCXBRCULLBWAY-NHYWBVRUSA-N 0 1 376.411 1.849 20 0 GDADMN C[C@@H]1CCC[C@@H](C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576154931 949371445 /nfs/dbraw/zinc/37/14/45/949371445.db2.gz RPWVGBMDZZZJQJ-UKRRQHHQSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575265253 949441786 /nfs/dbraw/zinc/44/17/86/949441786.db2.gz SNSUDYNHBCGHNI-QWHCGFSZSA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575265253 949441799 /nfs/dbraw/zinc/44/17/99/949441799.db2.gz SNSUDYNHBCGHNI-QWHCGFSZSA-N 0 1 387.492 1.082 20 0 GDADMN C[C@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574949334 949490933 /nfs/dbraw/zinc/49/09/33/949490933.db2.gz UHAPROSQVAKLAY-SECBINFHSA-N 0 1 380.865 1.073 20 0 GDADMN C[C@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574949334 949490947 /nfs/dbraw/zinc/49/09/47/949490947.db2.gz UHAPROSQVAKLAY-SECBINFHSA-N 0 1 380.865 1.073 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)c1cnn[nH]1 ZINC001576158088 949492473 /nfs/dbraw/zinc/49/24/73/949492473.db2.gz RXEDZVGYQUJJKB-PIGZYNQJSA-N 0 1 382.432 1.171 20 0 GDADMN C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711105 949523224 /nfs/dbraw/zinc/52/32/24/949523224.db2.gz DENHVJOBUIBXMD-CYBMUJFWSA-N 0 1 377.452 1.357 20 0 GDADMN C[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001574711173 949527580 /nfs/dbraw/zinc/52/75/80/949527580.db2.gz DXTIJBVEMURCNX-JTQLQIEISA-N 0 1 385.394 1.921 20 0 GDADMN C[C@H](CC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574471382 949533665 /nfs/dbraw/zinc/53/36/65/949533665.db2.gz MPOGBGXIJZSXJE-IUDNXUCKSA-N 0 1 392.467 1.674 20 0 GDADMN C[C@@H](CC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574471887 949542611 /nfs/dbraw/zinc/54/26/11/949542611.db2.gz OPRNPIQDEUTGAK-NFOMZHRRSA-N 0 1 380.456 1.538 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576163950 949544210 /nfs/dbraw/zinc/54/42/10/949544210.db2.gz DKQYHXMEYHZSEO-KGLIPLIRSA-N 0 1 388.476 1.147 20 0 GDADMN CC(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574124064 949559286 /nfs/dbraw/zinc/55/92/86/949559286.db2.gz AGYBOOLMNRJXFR-RHSMWYFYSA-N 0 1 378.440 1.319 20 0 GDADMN CC1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575540282 949569775 /nfs/dbraw/zinc/56/97/75/949569775.db2.gz WLOAUVUVDALDPZ-CQSZACIVSA-N 0 1 384.488 1.700 20 0 GDADMN C[C@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575270302 949582931 /nfs/dbraw/zinc/58/29/31/949582931.db2.gz ZEMXZUNRFVDTPX-YUMQZZPRSA-N 0 1 385.881 1.587 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001573812639 949622460 /nfs/dbraw/zinc/62/24/60/949622460.db2.gz SODMKFQTQHTUAG-DOMZBBRYSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001573812639 949622487 /nfs/dbraw/zinc/62/24/87/949622487.db2.gz SODMKFQTQHTUAG-DOMZBBRYSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@H](CN(C)C(=O)CC1(O)CCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574714087 949623436 /nfs/dbraw/zinc/62/34/36/949623436.db2.gz BWIUXWKVRCMNAC-GFCCVEGCSA-N 0 1 376.436 1.247 20 0 GDADMN C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574476913 949628641 /nfs/dbraw/zinc/62/86/41/949628641.db2.gz LVAXDNWMSXIAPO-AWEZNQCLSA-N 0 1 383.460 1.394 20 0 GDADMN C[C@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccncc1 ZINC001574477059 949632563 /nfs/dbraw/zinc/63/25/63/949632563.db2.gz OKOGONJGFJNFJT-CYBMUJFWSA-N 0 1 381.444 1.140 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccco1 ZINC001573815170 949648227 /nfs/dbraw/zinc/64/82/27/949648227.db2.gz GVYZQQCYSLEECV-CYBMUJFWSA-N 0 1 384.444 1.247 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576168929 949653821 /nfs/dbraw/zinc/65/38/21/949653821.db2.gz WTDCELJUYSQUKK-CJNGLKHVSA-N 0 1 385.472 1.028 20 0 GDADMN CC(C)[C@@H](C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1)[NH+](C)C ZINC001574958219 949660454 /nfs/dbraw/zinc/66/04/54/949660454.db2.gz OMPQLJLAFYHIHY-BDAKNGLRSA-N 0 1 386.913 1.479 20 0 GDADMN CC(C)[C@@H](C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1)[NH+](C)C ZINC001574958219 949660463 /nfs/dbraw/zinc/66/04/63/949660463.db2.gz OMPQLJLAFYHIHY-BDAKNGLRSA-N 0 1 386.913 1.479 20 0 GDADMN CC1(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCC(F)(F)CC1 ZINC001575548119 949661248 /nfs/dbraw/zinc/66/12/48/949661248.db2.gz QKAXWZHENIUVQB-UHFFFAOYSA-N 0 1 392.414 1.521 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576169259 949671010 /nfs/dbraw/zinc/67/10/10/949671010.db2.gz GAXKEBGIXQBPPZ-GUYCJALGSA-N 0 1 380.456 1.293 20 0 GDADMN C[C@@H](NC(=O)CCCCc1cn[nH]n1)[C@@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575273802 949674796 /nfs/dbraw/zinc/67/47/96/949674796.db2.gz YDLGDZNMUNNIGB-VXGBXAGGSA-N 0 1 384.448 1.098 20 0 GDADMN C[C@@H](NC(=O)CC[C@H]1CCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575274138 949676822 /nfs/dbraw/zinc/67/68/22/949676822.db2.gz ZCUTWXGMDBDNHY-CABCVRRESA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H](C)c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574716388 949693500 /nfs/dbraw/zinc/69/35/00/949693500.db2.gz NWUWOXONKBYHMS-KBPBESRZSA-N 0 1 380.456 1.531 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCC12CC2 ZINC001573817289 949699982 /nfs/dbraw/zinc/69/99/82/949699982.db2.gz ZETISFZLXPEKOG-OLZOCXBDSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(CCF)CC1 ZINC001573817349 949704410 /nfs/dbraw/zinc/70/44/10/949704410.db2.gz ZUZAYABSBPOEST-LLVKDONJSA-N 0 1 376.440 1.161 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001573817869 949709619 /nfs/dbraw/zinc/70/96/19/949709619.db2.gz CESRLTJNUCGYAJ-BFHYXJOUSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H](CN(C)C(=O)CC1CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574717241 949728751 /nfs/dbraw/zinc/72/87/51/949728751.db2.gz OHRKKQQQEMLQCN-CYBMUJFWSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882035 949747262 /nfs/dbraw/zinc/74/72/62/949747262.db2.gz FRMWKBVFPAZEOY-YPMHNXCESA-N 0 1 384.469 1.434 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575281744 949820230 /nfs/dbraw/zinc/82/02/30/949820230.db2.gz AOWPSWZGRTUMNP-DTWKUNHWSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575281744 949820241 /nfs/dbraw/zinc/82/02/41/949820241.db2.gz AOWPSWZGRTUMNP-DTWKUNHWSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172917 949826220 /nfs/dbraw/zinc/82/62/20/949826220.db2.gz ZIURVYCLRNHIBS-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172917 949826238 /nfs/dbraw/zinc/82/62/38/949826238.db2.gz ZIURVYCLRNHIBS-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001574140790 949839802 /nfs/dbraw/zinc/83/98/02/949839802.db2.gz QISDAAMKGMBGQY-QGTPRVQTSA-N 0 1 386.500 1.600 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574723656 949858669 /nfs/dbraw/zinc/85/86/69/949858669.db2.gz ATKDDEJGYIXTOW-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574723656 949858693 /nfs/dbraw/zinc/85/86/93/949858693.db2.gz ATKDDEJGYIXTOW-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001573825247 949867628 /nfs/dbraw/zinc/86/76/28/949867628.db2.gz OEINGENAELDVQW-RNFRBKRXSA-N 0 1 389.869 1.256 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1ccc(-c2nn[nH]n2)cn1 ZINC001576178486 949886025 /nfs/dbraw/zinc/88/60/25/949886025.db2.gz BREKOUALXHQARK-SWLSCSKDSA-N 0 1 381.444 1.728 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1CNCc1nccs1 ZINC001576178629 949892807 /nfs/dbraw/zinc/89/28/07/949892807.db2.gz CICVQRJIOHDEEF-FZMZJTMJSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575568568 949893858 /nfs/dbraw/zinc/89/38/58/949893858.db2.gz ALOVXXDMTCSAOX-XOBRGWDASA-N 0 1 390.451 1.256 20 0 GDADMN C[C@]1(C(=O)NC2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CCOC1 ZINC001575568622 949900800 /nfs/dbraw/zinc/90/08/00/949900800.db2.gz AYSCRGGHNGSUSV-IBGZPJMESA-N 0 1 388.447 1.513 20 0 GDADMN C[C@@H](CC(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001574484795 949904352 /nfs/dbraw/zinc/90/43/52/949904352.db2.gz OLJJWQZQVFUTTN-DZGCQCFKSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575284534 949906056 /nfs/dbraw/zinc/90/60/56/949906056.db2.gz JFZGMCQQWFXRLG-ZBFHGGJFSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@H](CC(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574484955 949914955 /nfs/dbraw/zinc/91/49/55/949914955.db2.gz SIHAATYMZFXGLK-UKRRQHHQSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CN(C)C(=O)C[NH+]1CCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574725929 949915979 /nfs/dbraw/zinc/91/59/79/949915979.db2.gz VZMBKNRWYQUJQG-SECBINFHSA-N 0 1 384.897 1.331 20 0 GDADMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001595277151 949931759 /nfs/dbraw/zinc/93/17/59/949931759.db2.gz WTYPBIKZNWTELJ-ZWKOTPCHSA-N 0 1 388.464 1.560 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574150306 950027111 /nfs/dbraw/zinc/02/71/11/950027111.db2.gz BERLSXTXJMKTKW-KGLIPLIRSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574150306 950027133 /nfs/dbraw/zinc/02/71/33/950027133.db2.gz BERLSXTXJMKTKW-KGLIPLIRSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H]1CCN(C(=O)CCC2(C)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182024 950034534 /nfs/dbraw/zinc/03/45/34/950034534.db2.gz KMQRZMCZGIWOAX-ZIAGYGMSSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)CC(C)(C)C ZINC001574491967 950053159 /nfs/dbraw/zinc/05/31/59/950053159.db2.gz HWEVHTZSCGPWAA-IYXRBSQSSA-N 0 1 386.504 1.848 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnco1 ZINC001574151282 950066902 /nfs/dbraw/zinc/06/69/02/950066902.db2.gz OOOSIAPVBIWIMU-AWEZNQCLSA-N 0 1 387.419 1.928 20 0 GDADMN CC(C)(C)CC(C)(C)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573838426 950112263 /nfs/dbraw/zinc/11/22/63/950112263.db2.gz DAAXSWBJTBRPPN-ZDUSSCGKSA-N 0 1 386.504 1.944 20 0 GDADMN CC(C)(C)CC(=O)NCCN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573838860 950119389 /nfs/dbraw/zinc/11/93/89/950119389.db2.gz JOMSIERQEHOWNY-UHFFFAOYSA-N 0 1 385.516 1.537 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575582760 950126351 /nfs/dbraw/zinc/12/63/51/950126351.db2.gz GQEBNQSNRSKEAC-IFXJQAMLSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N[C@H](C)c1ccc(F)cc1F ZINC001574978350 950135746 /nfs/dbraw/zinc/13/57/46/950135746.db2.gz RZJSTOPUULTWON-NXEZZACHSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734773 950141529 /nfs/dbraw/zinc/14/15/29/950141529.db2.gz QRJMVXGVZCXONK-KGLIPLIRSA-N 0 1 380.456 1.216 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897700 950143515 /nfs/dbraw/zinc/14/35/15/950143515.db2.gz QFVIVSUMSAYYSM-CJNGLKHVSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001574154663 950173085 /nfs/dbraw/zinc/17/30/85/950173085.db2.gz FSTZWNDFLFOUFE-OAHLLOKOSA-N 0 1 380.456 1.320 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2csnn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575900071 950190442 /nfs/dbraw/zinc/19/04/42/950190442.db2.gz BRKBYMHTQSZVBP-BXUZGUMPSA-N 0 1 384.469 1.501 20 0 GDADMN CC(C)(C)CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001573844368 950191699 /nfs/dbraw/zinc/19/16/99/950191699.db2.gz HUGKQISVASPDPF-AWEZNQCLSA-N 0 1 387.488 1.594 20 0 GDADMN C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001576191415 950196143 /nfs/dbraw/zinc/19/61/43/950196143.db2.gz GBLMPSFGSPJWGB-AWEZNQCLSA-N 0 1 389.479 1.997 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001574495207 950198651 /nfs/dbraw/zinc/19/86/51/950198651.db2.gz RNIDQBNBTPQVQL-NEPJUHHUSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575900930 950211273 /nfs/dbraw/zinc/21/12/73/950211273.db2.gz JSSKIJDJNZFSQA-GXSJLCMTSA-N 0 1 388.432 1.645 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574742080 950265948 /nfs/dbraw/zinc/26/59/48/950265948.db2.gz LCHFQHOQROPRBQ-CFVMTHIKSA-N 0 1 378.440 1.141 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)c1ccncc1 ZINC001574498662 950278759 /nfs/dbraw/zinc/27/87/59/950278759.db2.gz PFHSXCSVLWGBPC-CQSZACIVSA-N 0 1 392.467 1.723 20 0 GDADMN C[C@H](CC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574500231 950309873 /nfs/dbraw/zinc/30/98/73/950309873.db2.gz YMAZUBSSAVIGBY-KPPDAEKUSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574500371 950311905 /nfs/dbraw/zinc/31/19/05/950311905.db2.gz ZVTMOYPPNKTTEF-KPZWWZAWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574500371 950311924 /nfs/dbraw/zinc/31/19/24/950311924.db2.gz ZVTMOYPPNKTTEF-KPZWWZAWSA-N 0 1 390.513 1.417 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1cccc1 ZINC001574159941 950328254 /nfs/dbraw/zinc/32/82/54/950328254.db2.gz ZYLJSJPSMMYEFO-OAHLLOKOSA-N 0 1 382.472 1.518 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCO1 ZINC001574501867 950347312 /nfs/dbraw/zinc/34/73/12/950347312.db2.gz HBGAFHLBISMWCO-RDTXWAMCSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnsn1 ZINC001575908603 950372489 /nfs/dbraw/zinc/37/24/89/950372489.db2.gz VPTHKFNMBWXHKV-WPRPVWTQSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cnsn1 ZINC001575908603 950372506 /nfs/dbraw/zinc/37/25/06/950372506.db2.gz VPTHKFNMBWXHKV-WPRPVWTQSA-N 0 1 376.471 1.173 20 0 GDADMN CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589719040 950392950 /nfs/dbraw/zinc/39/29/50/950392950.db2.gz NLGYYCILXPLLSY-GOSISDBHSA-N 0 1 395.525 1.624 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574504011 950423517 /nfs/dbraw/zinc/42/35/17/950423517.db2.gz ZHEWYVUEVJJOLV-KBXCAEBGSA-N 0 1 384.484 1.620 20 0 GDADMN CC1(C(=O)NCc2ccc(CCNc3ccnc(-c4nn[nH]n4)n3)cc2)CC1 ZINC001575599239 950427344 /nfs/dbraw/zinc/42/73/44/950427344.db2.gz IKAOVNKCXBHOJA-UHFFFAOYSA-N 0 1 378.440 1.150 20 0 GDADMN CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1ccsc1 ZINC001589722803 950431303 /nfs/dbraw/zinc/43/13/03/950431303.db2.gz GWRLPNHXBKJVHL-UONOGXRCSA-N 0 1 375.516 1.514 20 0 GDADMN C[C@H](CC(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001574507204 950455957 /nfs/dbraw/zinc/45/59/57/950455957.db2.gz FYFGCSNRDZSGQW-CQSZACIVSA-N 0 1 382.472 1.342 20 0 GDADMN CC(C)CC1(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)CCC1 ZINC001574166356 950462023 /nfs/dbraw/zinc/46/20/23/950462023.db2.gz PCHHMFDRXSTHAD-CQSZACIVSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574508667 950481299 /nfs/dbraw/zinc/48/12/99/950481299.db2.gz LOJCKWSBMGQILE-GFCCVEGCSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001574508653 950481684 /nfs/dbraw/zinc/48/16/84/950481684.db2.gz LDVRXKHXSVPPLE-SECBINFHSA-N 0 1 384.366 1.330 20 0 GDADMN CC(C)(C)OC(=O)c1cc(NC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001573864085 950497895 /nfs/dbraw/zinc/49/78/95/950497895.db2.gz YYBZYMKTDKJBAV-CYBMUJFWSA-N 0 1 385.384 1.217 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001576205222 950500480 /nfs/dbraw/zinc/50/04/80/950500480.db2.gz HKRALEPOOFEHNQ-CHWSQXEVSA-N 0 1 375.452 1.289 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001576205222 950500494 /nfs/dbraw/zinc/50/04/94/950500494.db2.gz HKRALEPOOFEHNQ-CHWSQXEVSA-N 0 1 375.452 1.289 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573867100 950518977 /nfs/dbraw/zinc/51/89/77/950518977.db2.gz PJAWIPMJESKVSH-LBPRGKRZSA-N 0 1 378.502 1.824 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573867100 950518995 /nfs/dbraw/zinc/51/89/95/950518995.db2.gz PJAWIPMJESKVSH-LBPRGKRZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575609559 950524925 /nfs/dbraw/zinc/52/49/25/950524925.db2.gz YAOUEAPIBJTNLS-ARGWCVDVSA-N 0 1 390.451 1.042 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc(O)ccc1Cl ZINC001574753616 950532231 /nfs/dbraw/zinc/53/22/31/950532231.db2.gz FRRZVNHBUQZJLF-JTQLQIEISA-N 0 1 389.847 1.804 20 0 GDADMN CC(C)(C)OCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001573868510 950543556 /nfs/dbraw/zinc/54/35/56/950543556.db2.gz CXGGPNGKXXFKQC-BETUJISGSA-N 0 1 390.513 1.634 20 0 GDADMN CC(C)(C)OCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001573868510 950543582 /nfs/dbraw/zinc/54/35/82/950543582.db2.gz CXGGPNGKXXFKQC-BETUJISGSA-N 0 1 390.513 1.634 20 0 GDADMN CC(C)(C)OCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001573868510 950543603 /nfs/dbraw/zinc/54/36/03/950543603.db2.gz CXGGPNGKXXFKQC-BETUJISGSA-N 0 1 390.513 1.634 20 0 GDADMN CC(C)(C)OCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001573868510 950543620 /nfs/dbraw/zinc/54/36/20/950543620.db2.gz CXGGPNGKXXFKQC-BETUJISGSA-N 0 1 390.513 1.634 20 0 GDADMN C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575916854 950548182 /nfs/dbraw/zinc/54/81/82/950548182.db2.gz SSNWBNONICXYNZ-CHWSQXEVSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575916854 950548199 /nfs/dbraw/zinc/54/81/99/950548199.db2.gz SSNWBNONICXYNZ-CHWSQXEVSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)c1ccccc1 ZINC001574512725 950584488 /nfs/dbraw/zinc/58/44/88/950584488.db2.gz BBTAWBZQQHITQQ-FMKPAKJESA-N 0 1 392.467 1.934 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573870196 950587681 /nfs/dbraw/zinc/58/76/81/950587681.db2.gz GJCQTDZVEANVJB-CYBMUJFWSA-N 0 1 388.476 1.337 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)n1cccc1 ZINC001574512869 950592503 /nfs/dbraw/zinc/59/25/03/950592503.db2.gz FIQSYHPBUPJPHU-MJBXVCDLSA-N 0 1 381.444 1.193 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574755753 950594712 /nfs/dbraw/zinc/59/47/12/950594712.db2.gz VFPISDOHLMYJAA-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573870504 950596128 /nfs/dbraw/zinc/59/61/28/950596128.db2.gz XENGBBJFOZIFAU-ZFWWWQNUSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919865 950622466 /nfs/dbraw/zinc/62/24/66/950622466.db2.gz KWJFNCYIODWVLL-FZMZJTMJSA-N 0 1 382.403 1.263 20 0 GDADMN CC(C)(C)OCC(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CCC1 ZINC001573871586 950624339 /nfs/dbraw/zinc/62/43/39/950624339.db2.gz SQFSAYCVGMWIPK-UHFFFAOYSA-N 0 1 390.463 1.949 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575922395 950647135 /nfs/dbraw/zinc/64/71/35/950647135.db2.gz PILNRHJLGKPYDI-TVQRCGJNSA-N 0 1 386.366 1.072 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575922658 950650447 /nfs/dbraw/zinc/65/04/47/950650447.db2.gz ACACJFKECPTMDT-MFKMUULPSA-N 0 1 380.412 1.264 20 0 GDADMN C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575922948 950653798 /nfs/dbraw/zinc/65/37/98/950653798.db2.gz BAUMOVXQQNURKM-OLZOCXBDSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575922948 950653819 /nfs/dbraw/zinc/65/38/19/950653819.db2.gz BAUMOVXQQNURKM-OLZOCXBDSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)c[nH]1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575002322 950658857 /nfs/dbraw/zinc/65/88/57/950658857.db2.gz SCCZIQKFLFZHJU-LURJTMIESA-N 0 1 384.828 1.699 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccn1 ZINC001575923516 950664927 /nfs/dbraw/zinc/66/49/27/950664927.db2.gz BSZGZAHYSFHHHE-XJKSGUPXSA-N 0 1 378.440 1.113 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccn(C)n1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574760555 950668897 /nfs/dbraw/zinc/66/88/97/950668897.db2.gz WZKUWILQIQTWQA-SSDOTTSWSA-N 0 1 381.853 1.283 20 0 GDADMN CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001574176100 950671534 /nfs/dbraw/zinc/67/15/34/950671534.db2.gz UHCMSCQCQFAASM-RBSFLKMASA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925216 950680450 /nfs/dbraw/zinc/68/04/50/950680450.db2.gz GPASDOHIRFTCKB-SMDDNHRTSA-N 0 1 391.439 1.066 20 0 GDADMN CC1(C)CC(C(=O)N2CCC(CCNc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001575625828 950696625 /nfs/dbraw/zinc/69/66/25/950696625.db2.gz XNFCZLNFJPCXME-UHFFFAOYSA-N 0 1 384.488 1.555 20 0 GDADMN CC1(C)CC(C(=O)N2CCCC[C@H]2CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575625840 950697072 /nfs/dbraw/zinc/69/70/72/950697072.db2.gz YABFEVINILRMEI-AWEZNQCLSA-N 0 1 384.488 1.698 20 0 GDADMN CC1(C)CC(C(=O)N2CCCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001575625761 950697168 /nfs/dbraw/zinc/69/71/68/950697168.db2.gz WAFNAVJFCGJDQL-AWEZNQCLSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@@H](CNC(=O)c1cc2sccc2s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575006975 950728176 /nfs/dbraw/zinc/72/81/76/950728176.db2.gz ZKXZQUFYZPTKRI-QMMMGPOBSA-N 0 1 386.466 1.585 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C2CCCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216350 950731883 /nfs/dbraw/zinc/73/18/83/950731883.db2.gz DJSNSEFMDVASRP-OCCSQVGLSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnns1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574764791 950762573 /nfs/dbraw/zinc/76/25/73/950762573.db2.gz YMFAYOAJSFPKEM-VIFPVBQESA-N 0 1 376.421 1.108 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COC1CCCCC1 ZINC001575928094 950773043 /nfs/dbraw/zinc/77/30/43/950773043.db2.gz YMYVEGFTDXMERQ-CJNGLKHVSA-N 0 1 385.472 1.434 20 0 GDADMN CC(C)c1noc([C@H](C)NC[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001575009092 950774306 /nfs/dbraw/zinc/77/43/06/950774306.db2.gz NHKWJSJCJHBSRS-MNOVXSKESA-N 0 1 387.448 1.418 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574765226 950776349 /nfs/dbraw/zinc/77/63/49/950776349.db2.gz AKRVDMXQEGJVMF-NSHDSACASA-N 0 1 384.444 1.542 20 0 GDADMN CC(C)c1ncsc1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766796 950824373 /nfs/dbraw/zinc/82/43/73/950824373.db2.gz KXZQYMOCOMMLEX-JTQLQIEISA-N 0 1 387.473 1.231 20 0 GDADMN C[C@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766892 950831172 /nfs/dbraw/zinc/83/11/72/950831172.db2.gz NYSFNRYCPLBQEM-MRVPVSSYSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576222094 950862264 /nfs/dbraw/zinc/86/22/64/950862264.db2.gz XGJIFZDORRARPS-SUMWQHHRSA-N 0 1 392.467 1.315 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574768626 950895473 /nfs/dbraw/zinc/89/54/73/950895473.db2.gz ZWRBFLKMIOPVDS-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001573893969 950915265 /nfs/dbraw/zinc/91/52/65/950915265.db2.gz GLGBMDHOHXCMLF-HAQNSBGRSA-N 0 1 381.444 1.008 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576228108 950930843 /nfs/dbraw/zinc/93/08/43/950930843.db2.gz IZEJDCFHLFHYFA-TZMCWYRMSA-N 0 1 382.472 1.308 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC(C)(C)C1 ZINC001575642414 950941959 /nfs/dbraw/zinc/94/19/59/950941959.db2.gz UWNQELRSFADWNI-QWHCGFSZSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)CCCCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001574195364 950981569 /nfs/dbraw/zinc/98/15/69/950981569.db2.gz MGPSVIHWVXHVFI-MSOLQXFVSA-N 0 1 386.500 1.744 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@H]1CCCCO1 ZINC001574774444 950999733 /nfs/dbraw/zinc/99/97/33/950999733.db2.gz CNLMVFCDILGWAT-UKRRQHHQSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573900166 950999846 /nfs/dbraw/zinc/99/98/46/950999846.db2.gz SFLPNXMYOQXRGB-UHFFFAOYSA-N 0 1 384.366 1.118 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575024098 951087512 /nfs/dbraw/zinc/08/75/12/951087512.db2.gz USWLFDWPMYKRKO-VIFPVBQESA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024585 951110787 /nfs/dbraw/zinc/11/07/87/951110787.db2.gz IEWUWWNNIDCWSE-GFCCVEGCSA-N 0 1 378.440 1.400 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CO1 ZINC001595000500 951116388 /nfs/dbraw/zinc/11/63/88/951116388.db2.gz CHSACXWKIIHUPT-OKYOBFRVSA-N 0 1 390.480 1.256 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575025501 951133103 /nfs/dbraw/zinc/13/31/03/951133103.db2.gz ZWXSHVNTFABLCH-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575025501 951133111 /nfs/dbraw/zinc/13/31/11/951133111.db2.gz ZWXSHVNTFABLCH-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@H](COC)C2)c(C(=O)[O-])c1C ZINC001591466385 951143977 /nfs/dbraw/zinc/14/39/77/951143977.db2.gz DWMQYJIQDKPZGQ-NSHDSACASA-N 0 1 384.454 1.838 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@H](COC)C2)c(C(=O)[O-])c1C ZINC001591466385 951143982 /nfs/dbraw/zinc/14/39/82/951143982.db2.gz DWMQYJIQDKPZGQ-NSHDSACASA-N 0 1 384.454 1.838 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@]2(C)CO)c(C(=O)[O-])c1C ZINC001591466781 951148483 /nfs/dbraw/zinc/14/84/83/951148483.db2.gz NHCCREUTICKEJY-QGZVFWFLSA-N 0 1 384.454 1.717 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@]2(C)CO)c(C(=O)[O-])c1C ZINC001591466781 951148491 /nfs/dbraw/zinc/14/84/91/951148491.db2.gz NHCCREUTICKEJY-QGZVFWFLSA-N 0 1 384.454 1.717 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1CCCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575029408 951187200 /nfs/dbraw/zinc/18/72/00/951187200.db2.gz UXEXTENKYMNDPB-ZDUSSCGKSA-N 0 1 392.467 1.578 20 0 GDADMN C[C@@H](CNC(=O)c1ccsn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575037892 951311442 /nfs/dbraw/zinc/31/14/42/951311442.db2.gz DYMYWDIQJKOQNS-LURJTMIESA-N 0 1 384.878 1.911 20 0 GDADMN C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575060797 951546916 /nfs/dbraw/zinc/54/69/16/951546916.db2.gz GTCLXXMRSOFSFJ-ZETCQYMHSA-N 0 1 379.837 1.021 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+](CCCOc2ccccc2)C2CCOCC2)C1=O ZINC001595072531 951608169 /nfs/dbraw/zinc/60/81/69/951608169.db2.gz XORIGHTZMQOKRN-GOSISDBHSA-N 0 1 376.453 1.622 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000398779943 951610014 /nfs/dbraw/zinc/61/00/14/951610014.db2.gz JQRJXUMEKJUVQD-GHMZBOCLSA-N 0 1 380.242 2.000 20 0 GDADMN C[C@@H](CNCc1cc(C(C)(C)C)on1)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575080543 951711958 /nfs/dbraw/zinc/71/19/58/951711958.db2.gz XZYDLMYJXAKRRQ-NSHDSACASA-N 0 1 386.460 1.636 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1[O-])C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575082605 951736434 /nfs/dbraw/zinc/73/64/34/951736434.db2.gz XQHCIOCNDDNRLC-LLVKDONJSA-N 0 1 385.403 1.262 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1csnn1 ZINC001575089914 951756831 /nfs/dbraw/zinc/75/68/31/951756831.db2.gz ISZAPGXDWHCHQG-VIFPVBQESA-N 0 1 376.421 1.108 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1nccn1C ZINC001575099030 951828482 /nfs/dbraw/zinc/82/84/82/951828482.db2.gz HKINZEGKKHCGSN-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3cccc(C(=O)[O-])n3)CC2)C1 ZINC001602886517 971780207 /nfs/dbraw/zinc/78/02/07/971780207.db2.gz VEXPTNRJWCQYLQ-AWEZNQCLSA-N 0 1 376.457 1.911 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575103047 951873853 /nfs/dbraw/zinc/87/38/53/951873853.db2.gz RLHKMBZXBYIERI-XFJVYGCCSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575103047 951873858 /nfs/dbraw/zinc/87/38/58/951873858.db2.gz RLHKMBZXBYIERI-XFJVYGCCSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](CNCc1ncc(C(C)(C)C)o1)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575119279 951987051 /nfs/dbraw/zinc/98/70/51/951987051.db2.gz WLKWCPIHHCHYFL-LLVKDONJSA-N 0 1 386.460 1.636 20 0 GDADMN C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)N(C)C(=O)CCCCc1cn[nH]n1 ZINC001575123631 952018010 /nfs/dbraw/zinc/01/80/10/952018010.db2.gz PUJTZCWKCHROAG-GFCCVEGCSA-N 0 1 384.448 1.052 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575139663 952140560 /nfs/dbraw/zinc/14/05/60/952140560.db2.gz AAHRAGSZFYMNER-SFHVURJKSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(F)cc1Cl ZINC001575144033 952161742 /nfs/dbraw/zinc/16/17/42/952161742.db2.gz FRLNSVNTHJSOJB-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575144155 952162485 /nfs/dbraw/zinc/16/24/85/952162485.db2.gz UNSSEVCJKLUBKT-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575144145 952162981 /nfs/dbraw/zinc/16/29/81/952162981.db2.gz UNSSEVCJKLUBKT-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575144301 952164705 /nfs/dbraw/zinc/16/47/05/952164705.db2.gz UVSMVLDGLPYNSY-SNVBAGLBSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575144449 952166068 /nfs/dbraw/zinc/16/60/68/952166068.db2.gz IPNFSMJYLKPVBA-SNVBAGLBSA-N 0 1 384.469 1.201 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575144667 952169566 /nfs/dbraw/zinc/16/95/66/952169566.db2.gz KEIWVCQFERIRDH-MRVPVSSYSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575144781 952172209 /nfs/dbraw/zinc/17/22/09/952172209.db2.gz LJCSVIFFTHNEFQ-CYBMUJFWSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575145021 952176688 /nfs/dbraw/zinc/17/66/88/952176688.db2.gz OFGKUBFAFVNETD-KRWDZBQOSA-N 0 1 384.469 1.080 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575147768 952201086 /nfs/dbraw/zinc/20/10/86/952201086.db2.gz VZUDRIHLWZNAHW-AWEZNQCLSA-N 0 1 387.488 1.539 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575147911 952202082 /nfs/dbraw/zinc/20/20/82/952202082.db2.gz WXIQFQJAPIRIGK-LBPRGKRZSA-N 0 1 379.424 1.286 20 0 GDADMN C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575155108 952234499 /nfs/dbraw/zinc/23/44/99/952234499.db2.gz WIVWBTRAECGDEI-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cncn1C ZINC001575165317 952306627 /nfs/dbraw/zinc/30/66/27/952306627.db2.gz NIVNHDBFPUEFDR-SSDOTTSWSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001575165655 952312894 /nfs/dbraw/zinc/31/28/94/952312894.db2.gz UYUNZKLFVOBESU-MVWJERBFSA-N 0 1 385.407 1.186 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575174128 952364952 /nfs/dbraw/zinc/36/49/52/952364952.db2.gz HPVTXFIZIJKKEB-UONOGXRCSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575174128 952364961 /nfs/dbraw/zinc/36/49/61/952364961.db2.gz HPVTXFIZIJKKEB-UONOGXRCSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575174128 952364970 /nfs/dbraw/zinc/36/49/70/952364970.db2.gz HPVTXFIZIJKKEB-UONOGXRCSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575174128 952364978 /nfs/dbraw/zinc/36/49/78/952364978.db2.gz HPVTXFIZIJKKEB-UONOGXRCSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](Cc1ccccc1F)C(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001575187468 952440903 /nfs/dbraw/zinc/44/09/03/952440903.db2.gz BTNVBVSBAZPRLG-GFCCVEGCSA-N 0 1 384.419 1.015 20 0 GDADMN C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC001575189356 952456016 /nfs/dbraw/zinc/45/60/16/952456016.db2.gz OTNBKQJNDUNMMQ-LLVKDONJSA-N 0 1 375.396 1.864 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575199296 952488036 /nfs/dbraw/zinc/48/80/36/952488036.db2.gz BRSZLDWOSIAVRO-ZMLRMANQSA-N 0 1 385.407 1.062 20 0 GDADMN CC[C@H](F)C(=O)N1C[C@@H](C)[C@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571118693 952489688 /nfs/dbraw/zinc/48/96/88/952489688.db2.gz YSMDDJZMUUMNLR-KYOSRNDESA-N 0 1 375.452 1.637 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CC(Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575200636 952497046 /nfs/dbraw/zinc/49/70/46/952497046.db2.gz DTAGVJRVCBTREH-NUYPLMSZSA-N 0 1 381.444 1.265 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)C1CC1 ZINC001575201229 952501834 /nfs/dbraw/zinc/50/18/34/952501834.db2.gz HPHJBBORKOWXAK-BZNIZROVSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120656 952506798 /nfs/dbraw/zinc/50/67/98/952506798.db2.gz OWXSTORCZCCGAZ-KCJUWKMLSA-N 0 1 376.421 1.183 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120656 952506803 /nfs/dbraw/zinc/50/68/03/952506803.db2.gz OWXSTORCZCCGAZ-KCJUWKMLSA-N 0 1 376.421 1.183 20 0 GDADMN O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1cscn1 ZINC001571120828 952510298 /nfs/dbraw/zinc/51/02/98/952510298.db2.gz RLWXGNNDTBUOOL-SNVBAGLBSA-N 0 1 375.483 1.637 20 0 GDADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1cscn1 ZINC001571120828 952510305 /nfs/dbraw/zinc/51/03/05/952510305.db2.gz RLWXGNNDTBUOOL-SNVBAGLBSA-N 0 1 375.483 1.637 20 0 GDADMN O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1cscn1 ZINC001571120828 952510311 /nfs/dbraw/zinc/51/03/11/952510311.db2.gz RLWXGNNDTBUOOL-SNVBAGLBSA-N 0 1 375.483 1.637 20 0 GDADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1cscn1 ZINC001571120828 952510317 /nfs/dbraw/zinc/51/03/17/952510317.db2.gz RLWXGNNDTBUOOL-SNVBAGLBSA-N 0 1 375.483 1.637 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CNc1ncccc1-c1nn[nH]n1)C1CC1 ZINC001575202513 952513800 /nfs/dbraw/zinc/51/38/00/952513800.db2.gz ORMRNYSHKZQCOI-XHDPSFHLSA-N 0 1 381.444 1.170 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121964 952523507 /nfs/dbraw/zinc/52/35/07/952523507.db2.gz GLVADZYPMRSNOV-OLZOCXBDSA-N 0 1 376.486 1.435 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1-c1nn[n-]n1 ZINC001571122829 952526077 /nfs/dbraw/zinc/52/60/77/952526077.db2.gz MDTQAJBSGHDKDF-VXGBXAGGSA-N 0 1 376.490 1.129 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1-c1nn[n-]n1 ZINC001571122829 952526080 /nfs/dbraw/zinc/52/60/80/952526080.db2.gz MDTQAJBSGHDKDF-VXGBXAGGSA-N 0 1 376.490 1.129 20 0 GDADMN O=C(C[C@@H]1CCCOC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123118 952528788 /nfs/dbraw/zinc/52/87/88/952528788.db2.gz PMJLHIZPCRALCS-RWMBFGLXSA-N 0 1 376.486 1.482 20 0 GDADMN O=C(C[C@@H]1CCCOC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123118 952528793 /nfs/dbraw/zinc/52/87/93/952528793.db2.gz PMJLHIZPCRALCS-RWMBFGLXSA-N 0 1 376.486 1.482 20 0 GDADMN CO[C@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)C ZINC001571124003 952533692 /nfs/dbraw/zinc/53/36/92/952533692.db2.gz XASYVTJKMULTRX-ZBFHGGJFSA-N 0 1 376.436 1.367 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575207843 952534964 /nfs/dbraw/zinc/53/49/64/952534964.db2.gz TXEYVGWKXVHAFA-NWDGAFQWSA-N 0 1 388.501 1.135 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575207843 952534971 /nfs/dbraw/zinc/53/49/71/952534971.db2.gz TXEYVGWKXVHAFA-NWDGAFQWSA-N 0 1 388.501 1.135 20 0 GDADMN CC(F)(F)C(=O)NC[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575210727 952541005 /nfs/dbraw/zinc/54/10/05/952541005.db2.gz HIDNCRHJEYDGKE-NSHDSACASA-N 0 1 382.390 1.989 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001575214139 952562240 /nfs/dbraw/zinc/56/22/40/952562240.db2.gz JAOMUQDBCMDIET-PJXYFTJBSA-N 0 1 377.399 1.494 20 0 GDADMN Cc1cc(C)cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134717 952594292 /nfs/dbraw/zinc/59/42/92/952594292.db2.gz KIUVALLVKXGOEP-OAHLLOKOSA-N 0 1 378.440 1.412 20 0 GDADMN CCc1ccccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571134987 952598382 /nfs/dbraw/zinc/59/83/82/952598382.db2.gz OIVZYLKOAQNBJV-IUODEOHRSA-N 0 1 378.440 1.214 20 0 GDADMN CCN(C(=O)c1ccc(C)cc1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135076 952599522 /nfs/dbraw/zinc/59/95/22/952599522.db2.gz OZJLJUZJYFKUKE-OAHLLOKOSA-N 0 1 378.440 1.706 20 0 GDADMN Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571135141 952600856 /nfs/dbraw/zinc/60/08/56/952600856.db2.gz SEVTUWMOHLQOSP-CJNGLKHVSA-N 0 1 378.440 1.268 20 0 GDADMN COc1ccc(CN2CC[C@@H](NC(=O)c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC001571136800 952616031 /nfs/dbraw/zinc/61/60/31/952616031.db2.gz WHHIEWINKKOQFJ-MRXNPFEDSA-N 0 1 378.436 1.880 20 0 GDADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000383168913 971853742 /nfs/dbraw/zinc/85/37/42/971853742.db2.gz XABIZKNRWFCYFQ-MRXNPFEDSA-N 0 1 389.477 1.922 20 0 GDADMN O=C(N[C@]12CCC[C@H]1CN(Cc1cccnc1)C2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571142517 952643141 /nfs/dbraw/zinc/64/31/41/952643141.db2.gz SXQPCMHPPJRHOY-LIRRHRJNSA-N 0 1 378.440 1.374 20 0 GDADMN O=C(NCC1CC(Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cc[nH]c1 ZINC001571142523 952643191 /nfs/dbraw/zinc/64/31/91/952643191.db2.gz TYPCMGIUODVSNX-UHFFFAOYSA-N 0 1 378.849 1.925 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571147157 952657288 /nfs/dbraw/zinc/65/72/88/952657288.db2.gz HUNOLIYGRYQRRF-KGLIPLIRSA-N 0 1 379.428 1.177 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)Nc2c(-c3nn[nH]n3)nnn2Cc2ccccc2)CCC1=O ZINC001571154845 952690573 /nfs/dbraw/zinc/69/05/73/952690573.db2.gz CHWHCDWAEHPRLC-YPMHNXCESA-N 0 1 380.412 1.450 20 0 GDADMN Cc1cc(N2CCC3(C[C@H]3NC(=O)c3ccon3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159528 952719471 /nfs/dbraw/zinc/71/94/71/952719471.db2.gz XHQAEFVJZAZRLC-OAHLLOKOSA-N 0 1 380.412 1.347 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@]3(CCN(C(=O)c4ccn[nH]4)C3)C2)n1 ZINC001571160390 952726249 /nfs/dbraw/zinc/72/62/49/952726249.db2.gz ZWZUSJLPNBVPSW-SFHVURJKSA-N 0 1 379.428 1.036 20 0 GDADMN O=C(c1cocn1)N1CCC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)CC[C@H]21 ZINC001571162474 952744304 /nfs/dbraw/zinc/74/43/04/952744304.db2.gz VDWMZBRQFMITPE-IUODEOHRSA-N 0 1 380.412 1.381 20 0 GDADMN C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)c2)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571165927 952756228 /nfs/dbraw/zinc/75/62/28/952756228.db2.gz JAUJIVKQTLNLRE-CXAGYDPISA-N 0 1 380.456 1.383 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166334 952760340 /nfs/dbraw/zinc/76/03/40/952760340.db2.gz LQBGKNXKEGOCFV-HNNXBMFYSA-N 0 1 380.456 1.648 20 0 GDADMN Cc1c(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ccn1C ZINC001571169667 952776952 /nfs/dbraw/zinc/77/69/52/952776952.db2.gz KAFVNEWPSLIFQG-CQSZACIVSA-N 0 1 380.456 1.356 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1(C)C ZINC001571169670 952777568 /nfs/dbraw/zinc/77/75/68/952777568.db2.gz KFQQMEBVVXGWQA-OAHLLOKOSA-N 0 1 380.456 1.851 20 0 GDADMN CCn1cnc(C(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC001571170533 952787112 /nfs/dbraw/zinc/78/71/12/952787112.db2.gz VZNDALBEGUPQHY-UHFFFAOYSA-N 0 1 380.456 1.431 20 0 GDADMN Cc1cc(C)n(CC(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571170842 952789658 /nfs/dbraw/zinc/78/96/58/952789658.db2.gz XNDYONCPGQFVQM-KRWDZBQOSA-N 0 1 380.456 1.071 20 0 GDADMN C[C@@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cocn1 ZINC001571172196 952802292 /nfs/dbraw/zinc/80/22/92/952802292.db2.gz OXQVIYPMUHAEFQ-RNFRBKRXSA-N 0 1 380.821 1.680 20 0 GDADMN O=C(C1CC2(CC2)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571172245 952804309 /nfs/dbraw/zinc/80/43/09/952804309.db2.gz QMEGIVFIMLQASO-OKILXGFUSA-N 0 1 380.456 1.417 20 0 GDADMN Cn1cnc(C(=O)N[C@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)CC2(C)C)c1 ZINC001571172273 952804602 /nfs/dbraw/zinc/80/46/02/952804602.db2.gz RPNOKHMLIKAEEE-INIZCTEOSA-N 0 1 380.456 1.241 20 0 GDADMN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CC12CC2 ZINC001571172560 952807732 /nfs/dbraw/zinc/80/77/32/952807732.db2.gz XETJLOGYVWUHCY-CRWXNKLISA-N 0 1 380.456 1.320 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)no1 ZINC001571172841 952809603 /nfs/dbraw/zinc/80/96/03/952809603.db2.gz ZFPJXCOSFRSOQA-SSDOTTSWSA-N 0 1 380.821 1.600 20 0 GDADMN Cc1cccc([C@H](C)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)c1 ZINC001571179548 952853180 /nfs/dbraw/zinc/85/31/80/952853180.db2.gz FPDPKTWLMOYYBJ-VUCTXSBTSA-N 0 1 381.440 1.039 20 0 GDADMN Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571180952 952861766 /nfs/dbraw/zinc/86/17/66/952861766.db2.gz RQDKEWGJDOPPBO-ZIAGYGMSSA-N 0 1 381.440 1.667 20 0 GDADMN COc1ccc(CN2CC[C@H](NC(=O)c3cc[nH]c3)[C@H]2C)cc1-c1nn[nH]n1 ZINC001571183172 952874541 /nfs/dbraw/zinc/87/45/41/952874541.db2.gz RGUVOGJNIHVSJG-WBMJQRKESA-N 0 1 381.440 1.596 20 0 GDADMN C[C@@H](N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C)c1cnccn1 ZINC001571184317 952890063 /nfs/dbraw/zinc/89/00/63/952890063.db2.gz WCLUIUNQNBVPRH-IAQYHMDHSA-N 0 1 381.444 1.186 20 0 GDADMN C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2ccccc2-n2cnc(-c3nn[n-]n3)n2)C1 ZINC001571185824 952904360 /nfs/dbraw/zinc/90/43/60/952904360.db2.gz QHVTVRHORHOSGD-QWHCGFSZSA-N 0 1 381.444 1.506 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H](C)C2)n1 ZINC001571187641 952909516 /nfs/dbraw/zinc/90/95/16/952909516.db2.gz ABIHKRLQLFOFKV-STQMWFEESA-N 0 1 381.444 1.327 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2C[C@@H](C)N(C(=O)CCc3cnc[nH]3)C2)n1 ZINC001571187771 952910537 /nfs/dbraw/zinc/91/05/37/952910537.db2.gz BUQLGHLERUACPW-TZMCWYRMSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1ccn(C)c1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571188386 952913224 /nfs/dbraw/zinc/91/32/24/952913224.db2.gz KCIPSCGQRNVCTC-ZDUSSCGKSA-N 0 1 381.444 1.093 20 0 GDADMN Cc1cc(C)c(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)[nH]1 ZINC001571188442 952914091 /nfs/dbraw/zinc/91/40/91/952914091.db2.gz KVNBGWUPCOMVKH-UHFFFAOYSA-N 0 1 381.444 1.177 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](CCNc3nc(C)ccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001571189041 952923812 /nfs/dbraw/zinc/92/38/12/952923812.db2.gz QHZQFQQFEKNMAC-ZDUSSCGKSA-N 0 1 381.444 1.566 20 0 GDADMN Cc1cc(N2C[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C(C)C)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189986 952938830 /nfs/dbraw/zinc/93/88/30/952938830.db2.gz BRKLRGCXYHFYCJ-QXSJWSMHSA-N 0 1 381.484 1.757 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc1F ZINC001571195755 952979552 /nfs/dbraw/zinc/97/95/52/952979552.db2.gz FRPFESBBGJZKFN-ZDUSSCGKSA-N 0 1 382.403 1.455 20 0 GDADMN CCc1nc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2C)co1 ZINC001571199634 953003247 /nfs/dbraw/zinc/00/32/47/953003247.db2.gz XBZYULMMIXJWHB-NWDGAFQWSA-N 0 1 382.428 1.258 20 0 GDADMN COc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571200394 953008859 /nfs/dbraw/zinc/00/88/59/953008859.db2.gz IGUSPBLTJMTNNE-HNNXBMFYSA-N 0 1 382.424 1.863 20 0 GDADMN CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2c[nH]nc2-c2nn[nH]n2)cc1 ZINC001571200833 953013105 /nfs/dbraw/zinc/01/31/05/953013105.db2.gz MGPHNOZEZWLFDY-UHFFFAOYSA-N 0 1 382.428 1.646 20 0 GDADMN CCCc1cc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)no1 ZINC001571200832 953013372 /nfs/dbraw/zinc/01/33/72/953013372.db2.gz MGHCYTFTHWJVGC-VXGBXAGGSA-N 0 1 382.428 1.339 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571202107 953022794 /nfs/dbraw/zinc/02/27/94/953022794.db2.gz QZDWQPFEGOMADI-ZDUSSCGKSA-N 0 1 382.428 1.171 20 0 GDADMN Cc1cc(NC[C@H]2CCN(C(=O)c3ccon3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202598 953026684 /nfs/dbraw/zinc/02/66/84/953026684.db2.gz VNZYJWNCOIEYBX-WCQYABFASA-N 0 1 382.428 1.190 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)oc1C ZINC001571202823 953029285 /nfs/dbraw/zinc/02/92/85/953029285.db2.gz ZKCVGQFIKHDZQA-SFHVURJKSA-N 0 1 382.428 1.253 20 0 GDADMN CCc1cc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[nH]n3)nn2)n[nH]1 ZINC001571206039 953046307 /nfs/dbraw/zinc/04/63/07/953046307.db2.gz RFTLWUFSPWJKBH-LBPRGKRZSA-N 0 1 382.432 1.049 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@H]2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571206513 953051899 /nfs/dbraw/zinc/05/18/99/953051899.db2.gz QIMXBURERGAPSB-STQMWFEESA-N 0 1 382.428 1.299 20 0 GDADMN Cc1oc(C)c(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571206935 953057690 /nfs/dbraw/zinc/05/76/90/953057690.db2.gz UJOAIKDQISTPQY-ZDUSSCGKSA-N 0 1 382.428 1.526 20 0 GDADMN O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)c1ccsc1 ZINC001571209719 953066708 /nfs/dbraw/zinc/06/67/08/953066708.db2.gz BSCZYWRQKKKQLR-GFCCVEGCSA-N 0 1 382.453 1.507 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571212060 953083826 /nfs/dbraw/zinc/08/38/26/953083826.db2.gz IDCPUUOEEAXADT-BARDWOONSA-N 0 1 382.472 1.519 20 0 GDADMN Cc1nn[nH]c1C(=O)N1CCC[C@H](CCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571212198 953084592 /nfs/dbraw/zinc/08/45/92/953084592.db2.gz LBRHEGBMBVCOAD-GFCCVEGCSA-N 0 1 382.432 1.043 20 0 GDADMN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncccc1[O-] ZINC001571216699 953103281 /nfs/dbraw/zinc/10/32/81/953103281.db2.gz BZMRGSITAVJZPM-JOCQHMNTSA-N 0 1 383.387 1.157 20 0 GDADMN Cc1nc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[nH]n3)n2)c(C)o1 ZINC001571226456 953156106 /nfs/dbraw/zinc/15/61/06/953156106.db2.gz RDAKGFVJPZHQQM-LBPRGKRZSA-N 0 1 383.416 1.003 20 0 GDADMN O=C(NC1(C2CCN(c3ccncc3-c3nn[nH]n3)CC2)CC1)[C@@H]1CCOC1 ZINC001571232708 953188551 /nfs/dbraw/zinc/18/85/51/953188551.db2.gz JMHOUVHPWHPJBC-CYBMUJFWSA-N 0 1 383.456 1.163 20 0 GDADMN O=C([C@H]1CCCO1)N1CCC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571233481 953193039 /nfs/dbraw/zinc/19/30/39/953193039.db2.gz VXLJYPPVCZJENE-VQIMIIECSA-N 0 1 383.456 1.260 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)nc1C ZINC001571233986 953197495 /nfs/dbraw/zinc/19/74/95/953197495.db2.gz JSZOSTINFGFJSK-CYBMUJFWSA-N 0 1 383.481 1.944 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)nc1C ZINC001571233986 953197498 /nfs/dbraw/zinc/19/74/98/953197498.db2.gz JSZOSTINFGFJSK-CYBMUJFWSA-N 0 1 383.481 1.944 20 0 GDADMN O=C(NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)c1cncc(Cl)c1 ZINC001571234711 953204256 /nfs/dbraw/zinc/20/42/56/953204256.db2.gz GKPULYJREIYHGO-UHFFFAOYSA-N 0 1 383.843 1.777 20 0 GDADMN COCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571235271 953210901 /nfs/dbraw/zinc/21/09/01/953210901.db2.gz YQEQOCCTDNMCOX-DTWKUNHWSA-N 0 1 383.865 1.193 20 0 GDADMN O=C(Cc1ccco1)NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571238925 953233901 /nfs/dbraw/zinc/23/39/01/953233901.db2.gz CFQHVHXTCFUCKY-UHFFFAOYSA-N 0 1 384.415 1.922 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571238916 953234310 /nfs/dbraw/zinc/23/43/10/953234310.db2.gz CCCYZLAQPZMZEG-NHYWBVRUSA-N 0 1 384.419 1.512 20 0 GDADMN Cn1ccc(C(=O)N2CCC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)n1 ZINC001571241645 953248160 /nfs/dbraw/zinc/24/81/60/953248160.db2.gz HDZYFHJLYWCUPK-AWEZNQCLSA-N 0 1 384.419 1.134 20 0 GDADMN Cc1ccc(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)o1 ZINC001571244997 953268995 /nfs/dbraw/zinc/26/89/95/953268995.db2.gz CCILFWKLIFXMHF-HALDLXJZSA-N 0 1 384.465 1.619 20 0 GDADMN Cc1ccc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)o1 ZINC001571244997 953268997 /nfs/dbraw/zinc/26/89/97/953268997.db2.gz CCILFWKLIFXMHF-HALDLXJZSA-N 0 1 384.465 1.619 20 0 GDADMN Cc1ncsc1C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571245325 953272104 /nfs/dbraw/zinc/27/21/04/953272104.db2.gz RQRQDDPAVXWZFY-LBPRGKRZSA-N 0 1 384.469 1.474 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001571245428 953273867 /nfs/dbraw/zinc/27/38/67/953273867.db2.gz IGRUGIAATHRQNP-NWDGAFQWSA-N 0 1 384.469 1.347 20 0 GDADMN CCc1ncc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)s1 ZINC001571245640 953274984 /nfs/dbraw/zinc/27/49/84/953274984.db2.gz XWXJBSZGHGIWHB-NSHDSACASA-N 0 1 384.469 1.338 20 0 GDADMN Cc1ncc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@H]2C)s1 ZINC001571245676 953276181 /nfs/dbraw/zinc/27/61/81/953276181.db2.gz YFFLPLBUHVFALB-MFKMUULPSA-N 0 1 384.469 1.472 20 0 GDADMN Cc1nc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](C)C2)oc1C ZINC001571247545 953283296 /nfs/dbraw/zinc/28/32/96/953283296.db2.gz ALUUYSYCMBMJAI-IINYFYTJSA-N 0 1 384.444 1.583 20 0 GDADMN CC1CC(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)CCCO2)C1 ZINC001571248186 953290869 /nfs/dbraw/zinc/29/08/69/953290869.db2.gz NCGAABRYKQUUGK-IUPXNIOVSA-N 0 1 384.484 1.620 20 0 GDADMN Cc1sccc1C(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571248293 953291456 /nfs/dbraw/zinc/29/14/56/953291456.db2.gz PSEXMHSPHQHJCU-JQWIXIFHSA-N 0 1 384.469 1.411 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001571249713 953307294 /nfs/dbraw/zinc/30/72/94/953307294.db2.gz KQOKWEYMFCLCMZ-ZDUSSCGKSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571250827 953313570 /nfs/dbraw/zinc/31/35/70/953313570.db2.gz TTXQWMUSTDLLRJ-LIRRHRJNSA-N 0 1 384.488 1.411 20 0 GDADMN Cc1cnc(CNC[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C)o1 ZINC001571251189 953315903 /nfs/dbraw/zinc/31/59/03/953315903.db2.gz RTSLAUAESXXVTE-WCQYABFASA-N 0 1 384.444 1.379 20 0 GDADMN C[C@@H](NC(=O)C1CC(C)(C)C1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571252078 953322881 /nfs/dbraw/zinc/32/28/81/953322881.db2.gz GSTWDELXKGCBOA-GFCCVEGCSA-N 0 1 384.488 1.814 20 0 GDADMN CN1CCCC[C@H]1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571252258 953325917 /nfs/dbraw/zinc/32/59/17/953325917.db2.gz JASBUEIZRSJRLF-HOTGVXAUSA-N 0 1 384.488 1.539 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571252577 953330439 /nfs/dbraw/zinc/33/04/39/953330439.db2.gz QGVBYDXWKGVIKE-CYBMUJFWSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccc(Cl)cc1 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/nfs/dbraw/zinc/89/36/52/605893652.db2.gz VJVDNNXGIKBDDA-QGZVFWFLSA-N 0 1 376.457 1.729 20 0 GDADMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000833827874 605906646 /nfs/dbraw/zinc/90/66/46/605906646.db2.gz CETUBMJACXLIPC-STQMWFEESA-N 0 1 376.482 1.933 20 0 GDADMN O=C([O-])N1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000834044646 605910122 /nfs/dbraw/zinc/91/01/22/605910122.db2.gz LDVZKBSODCUJMW-QGZVFWFLSA-N 0 1 376.457 1.195 20 0 GDADMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000833829668 605911896 /nfs/dbraw/zinc/91/18/96/605911896.db2.gz IMNGGTJVWUHMNW-GDBMZVCRSA-N 0 1 388.468 1.408 20 0 GDADMN O=C([O-])NC[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000834227051 605918439 /nfs/dbraw/zinc/91/84/39/605918439.db2.gz YIWDMCDFVFZPEF-YOEHRIQHSA-N 0 1 376.457 1.052 20 0 GDADMN O=C([O-])N1CCC2(C[C@H]2C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000834046113 605930545 /nfs/dbraw/zinc/93/05/45/605930545.db2.gz 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GDADMN O=C([O-])N[C@@H]1CC(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1 ZINC000834158270 605995358 /nfs/dbraw/zinc/99/53/58/605995358.db2.gz PVZUIROLSIYFKW-LLVKDONJSA-N 0 1 386.250 1.109 20 0 GDADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4ccccc4F)C3=O)C[C@H]21 ZINC000834188151 606071091 /nfs/dbraw/zinc/07/10/91/606071091.db2.gz OPYLBWMFQCISAZ-ZNEHSRBWSA-N 0 1 375.400 1.826 20 0 GDADMN O=C(CCOC1CN(C(=O)[O-])C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000833992464 606082428 /nfs/dbraw/zinc/08/24/28/606082428.db2.gz BKLDVWWAJBFTBH-UHFFFAOYSA-N 0 1 377.441 1.269 20 0 GDADMN C[C@@H](CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[N@H+](C)Cc1ccccc1 ZINC000820241631 606164762 /nfs/dbraw/zinc/16/47/62/606164762.db2.gz ILUHTPNZADGGMP-ZDUSSCGKSA-N 0 1 383.460 1.632 20 0 GDADMN C[C@@H](CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[N@@H+](C)Cc1ccccc1 ZINC000820241631 606164764 /nfs/dbraw/zinc/16/47/64/606164764.db2.gz ILUHTPNZADGGMP-ZDUSSCGKSA-N 0 1 383.460 1.632 20 0 GDADMN C[C@@H](CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[N@H+](C)Cc1ccccc1 ZINC000820241631 606164766 /nfs/dbraw/zinc/16/47/66/606164766.db2.gz ILUHTPNZADGGMP-ZDUSSCGKSA-N 0 1 383.460 1.632 20 0 GDADMN C[C@@H](CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[N@@H+](C)Cc1ccccc1 ZINC000820241631 606164767 /nfs/dbraw/zinc/16/47/67/606164767.db2.gz ILUHTPNZADGGMP-ZDUSSCGKSA-N 0 1 383.460 1.632 20 0 GDADMN COc1ccc(CN(C(=O)Cn2cccc(-c3nn[nH]n3)c2=O)C2CC2)cc1 ZINC000821794233 606177338 /nfs/dbraw/zinc/17/73/38/606177338.db2.gz CFJMBZZARMPUSN-UHFFFAOYSA-N 0 1 380.408 1.228 20 0 GDADMN O=C(OCCc1c[nH]nn1)c1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000823409930 606181086 /nfs/dbraw/zinc/18/10/86/606181086.db2.gz OAQAXZACODUMDD-UHFFFAOYSA-N 0 1 391.391 1.963 20 0 GDADMN O=c1ccc2cc(S(=O)(=O)Nc3cc(-c4nn[nH]n4)ccc3O)ccc2[nH]1 ZINC000823665600 606212895 /nfs/dbraw/zinc/21/28/95/606212895.db2.gz RSIOGSGSUDJGTB-UHFFFAOYSA-N 0 1 384.377 1.215 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1-c1nn[nH]n1 ZINC000821977546 606256998 /nfs/dbraw/zinc/25/69/98/606256998.db2.gz HRYRIYXMIUXKPP-QWHCGFSZSA-N 0 1 384.421 1.077 20 0 GDADMN COCCOC[C@H]1CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000821691752 606330923 /nfs/dbraw/zinc/33/09/23/606330923.db2.gz CKLBILOJRNJHNJ-JSGCOSHPSA-N 0 1 392.485 1.018 20 0 GDADMN Cn1cc(C[C@H]2CCN([C@@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)cn1 ZINC000822674598 606333253 /nfs/dbraw/zinc/33/32/53/606333253.db2.gz XUJDZOVPOSLKTC-IUODEOHRSA-N 0 1 398.496 1.332 20 0 GDADMN COCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821691529 606488800 /nfs/dbraw/zinc/48/88/00/606488800.db2.gz XTTDRKFSDCWQDV-GFCCVEGCSA-N 0 1 382.415 1.621 20 0 GDADMN CC(C)(C)c1nc([C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)cs3)CCO2)n[nH]1 ZINC000819965788 606542238 /nfs/dbraw/zinc/54/22/38/606542238.db2.gz MVVHFEVKWVYMBQ-JTQLQIEISA-N 0 1 388.457 1.558 20 0 GDADMN CC(C)(C)c1nnc([C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)cs3)CCO2)[nH]1 ZINC000819965788 606542240 /nfs/dbraw/zinc/54/22/40/606542240.db2.gz MVVHFEVKWVYMBQ-JTQLQIEISA-N 0 1 388.457 1.558 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H](CO)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821979282 606698276 /nfs/dbraw/zinc/69/82/76/606698276.db2.gz QPLCAPQPBLJMOE-NSHDSACASA-N 0 1 386.437 1.195 20 0 GDADMN Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000822237521 606702912 /nfs/dbraw/zinc/70/29/12/606702912.db2.gz XSBFKSMRPQTORS-CYBMUJFWSA-N 0 1 397.487 1.050 20 0 GDADMN Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000822237521 606702915 /nfs/dbraw/zinc/70/29/15/606702915.db2.gz XSBFKSMRPQTORS-CYBMUJFWSA-N 0 1 397.487 1.050 20 0 GDADMN Cc1n[nH]c([C@H]2CCCN([C@@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822436217 606754843 /nfs/dbraw/zinc/75/48/43/606754843.db2.gz IZXQBODAARWGTB-FZMZJTMJSA-N 0 1 381.444 1.500 20 0 GDADMN O=C(CN1CC[C@]2(CCOC2)C1)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000822997343 606772560 /nfs/dbraw/zinc/77/25/60/606772560.db2.gz PQBNMVLLGLZWPG-IBGZPJMESA-N 0 1 394.439 1.103 20 0 GDADMN O=C([C@H]1CCSC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822917213 606792401 /nfs/dbraw/zinc/79/24/01/606792401.db2.gz PXTOMLXDVQUZFH-NSHDSACASA-N 0 1 375.458 1.134 20 0 GDADMN CCC(CC)(CCO)CNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000820887798 606829639 /nfs/dbraw/zinc/82/96/39/606829639.db2.gz RGOOLUFNUNXWMY-UHFFFAOYSA-N 0 1 380.474 1.608 20 0 GDADMN COc1cc(C(=O)N(C)OCC(F)(F)F)cc(NS(C)(=O)=O)c1OC ZINC000530259174 649968548 /nfs/dbraw/zinc/96/85/48/649968548.db2.gz LPTGTGYWAVHWHX-UHFFFAOYSA-N 0 1 386.348 1.641 20 0 GDADMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCN1C ZINC000820656460 606891811 /nfs/dbraw/zinc/89/18/11/606891811.db2.gz FKOSYSNTIJGTET-GXSJLCMTSA-N 0 1 386.428 1.248 20 0 GDADMN CC1(C)[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@H]2CCCO[C@@H]21 ZINC000820585894 606893904 /nfs/dbraw/zinc/89/39/04/606893904.db2.gz RDUKBHTUQMKOHV-FZQKWOKYSA-N 0 1 399.423 1.627 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccncc1 ZINC000820274010 606894860 /nfs/dbraw/zinc/89/48/60/606894860.db2.gz BNXZIRISUDCSBK-VIFPVBQESA-N 0 1 380.380 1.622 20 0 GDADMN O=S(=O)(NCCOCc1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578979 606895240 /nfs/dbraw/zinc/89/52/40/606895240.db2.gz XVGNYPRRIIUSEN-UHFFFAOYSA-N 0 1 395.391 1.640 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000822535160 606904761 /nfs/dbraw/zinc/90/47/61/606904761.db2.gz IILUBUJZUQAJPN-FZMZJTMJSA-N 0 1 381.440 1.771 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000822535160 606904763 /nfs/dbraw/zinc/90/47/63/606904763.db2.gz IILUBUJZUQAJPN-FZMZJTMJSA-N 0 1 381.440 1.771 20 0 GDADMN FC(F)(F)Cn1cc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000822718741 606923099 /nfs/dbraw/zinc/92/30/99/606923099.db2.gz QRSXJQLRSZFYOA-UHFFFAOYSA-N 0 1 377.334 1.563 20 0 GDADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821600468 606928349 /nfs/dbraw/zinc/92/83/49/606928349.db2.gz NVBXJZUVKLTSRV-DLBZAZTESA-N 0 1 393.513 1.923 20 0 GDADMN O=C([C@H]1CC12CCC2)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000822916945 607115334 /nfs/dbraw/zinc/11/53/34/607115334.db2.gz JJXYFMUBUUBKIY-GFCCVEGCSA-N 0 1 395.423 1.954 20 0 GDADMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC000822199624 607184805 /nfs/dbraw/zinc/18/48/05/607184805.db2.gz BJJINVXKAUDMTB-QMMMGPOBSA-N 0 1 388.819 1.238 20 0 GDADMN CC(C)(C)c1ccc(C2(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)CCC2)cc1 ZINC000819959077 607211841 /nfs/dbraw/zinc/21/18/41/607211841.db2.gz XMAAXEKCXOFWJU-UHFFFAOYSA-N 0 1 394.483 1.994 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000823136067 607215688 /nfs/dbraw/zinc/21/56/88/607215688.db2.gz IMNDTPLJFZNBKZ-UHFFFAOYSA-N 0 1 393.436 1.709 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1cc(Cl)ccc1OC(F)F ZINC000823131508 607221318 /nfs/dbraw/zinc/22/13/18/607221318.db2.gz IEVLWUXFWKBIAA-UHFFFAOYSA-N 0 1 384.734 1.029 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000823127125 607222616 /nfs/dbraw/zinc/22/26/16/607222616.db2.gz UEZUUQBTQDBXKL-BLIJAFNYSA-N 0 1 378.440 1.943 20 0 GDADMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)CC2)n[nH]1 ZINC000530379922 649972124 /nfs/dbraw/zinc/97/21/24/649972124.db2.gz RIFCDEKRULAJPI-UHFFFAOYSA-N 0 1 384.483 1.085 20 0 GDADMN O=S(=O)(CCNC[C@@H](O)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485552 607815969 /nfs/dbraw/zinc/81/59/69/607815969.db2.gz VFUBYOAHNSBVFC-MRXNPFEDSA-N 0 1 391.428 1.103 20 0 GDADMN CN(CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000825937401 607830645 /nfs/dbraw/zinc/83/06/45/607830645.db2.gz CGWWIYKGMRPJDC-UHFFFAOYSA-N 0 1 380.383 1.734 20 0 GDADMN CO[C@@H]1CC[C@H]2OCCN(CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC000826146194 607858174 /nfs/dbraw/zinc/85/81/74/607858174.db2.gz RMTBLIZWMNNIQD-BRWVUGGUSA-N 0 1 386.456 1.464 20 0 GDADMN C[C@@](O)(CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000824670618 607881181 /nfs/dbraw/zinc/88/11/81/607881181.db2.gz SLVOTCISNHBZGE-HXUWFJFHSA-N 0 1 384.484 1.452 20 0 GDADMN CCCC(=O)N[C@H]1CCCN(Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825224839 607922602 /nfs/dbraw/zinc/92/26/02/607922602.db2.gz DAQVHWSCXTWEQB-AWEZNQCLSA-N 0 1 386.456 1.534 20 0 GDADMN Cn1ccnc1[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826363924 607959111 /nfs/dbraw/zinc/95/91/11/607959111.db2.gz GBSVFCJAGWGGQG-GOEBONIOSA-N 0 1 378.440 1.195 20 0 GDADMN Cc1cnc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)nc1 ZINC000826319064 607965034 /nfs/dbraw/zinc/96/50/34/607965034.db2.gz MWJKJWAVMAMOJI-UHFFFAOYSA-N 0 1 379.384 1.540 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1-c1nn[nH]n1 ZINC000821977544 608012091 /nfs/dbraw/zinc/01/20/91/608012091.db2.gz HRYRIYXMIUXKPP-OLZOCXBDSA-N 0 1 384.421 1.077 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3n2C)c1-c1nnn[n-]1 ZINC000826083559 608020008 /nfs/dbraw/zinc/02/00/08/608020008.db2.gz MXXIBLSOJICOPM-UHFFFAOYSA-N 0 1 379.428 1.486 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3n2C)c1-c1nn[n-]n1 ZINC000826083559 608020009 /nfs/dbraw/zinc/02/00/09/608020009.db2.gz MXXIBLSOJICOPM-UHFFFAOYSA-N 0 1 379.428 1.486 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000826073192 608020192 /nfs/dbraw/zinc/02/01/92/608020192.db2.gz IXWACNBOWRZEHP-UHFFFAOYSA-N 0 1 398.471 1.667 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000826073192 608020193 /nfs/dbraw/zinc/02/01/93/608020193.db2.gz IXWACNBOWRZEHP-UHFFFAOYSA-N 0 1 398.471 1.667 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC000826077710 608020487 /nfs/dbraw/zinc/02/04/87/608020487.db2.gz RHGXFMJIDWUTNS-LBPRGKRZSA-N 0 1 382.428 1.247 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000826077710 608020488 /nfs/dbraw/zinc/02/04/88/608020488.db2.gz RHGXFMJIDWUTNS-LBPRGKRZSA-N 0 1 382.428 1.247 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000826077486 608020493 /nfs/dbraw/zinc/02/04/93/608020493.db2.gz JSZRSRZWVKKGCD-UHFFFAOYSA-N 0 1 397.487 1.379 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC000826077486 608020494 /nfs/dbraw/zinc/02/04/94/608020494.db2.gz JSZRSRZWVKKGCD-UHFFFAOYSA-N 0 1 397.487 1.379 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)C(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826077437 608020650 /nfs/dbraw/zinc/02/06/50/608020650.db2.gz ICDCHTVDWJKVJX-LBPRGKRZSA-N 0 1 396.455 1.589 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)C(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826077437 608020651 /nfs/dbraw/zinc/02/06/51/608020651.db2.gz ICDCHTVDWJKVJX-LBPRGKRZSA-N 0 1 396.455 1.589 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826077769 608021455 /nfs/dbraw/zinc/02/14/55/608021455.db2.gz UZDHKXZISDSKEQ-UHFFFAOYSA-N 0 1 390.835 1.413 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826077769 608021456 /nfs/dbraw/zinc/02/14/56/608021456.db2.gz UZDHKXZISDSKEQ-UHFFFAOYSA-N 0 1 390.835 1.413 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826077375 608022118 /nfs/dbraw/zinc/02/21/18/608022118.db2.gz GIPXIDNTIFKAGV-LUAWRHEFSA-N 0 1 384.419 1.923 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826077375 608022119 /nfs/dbraw/zinc/02/21/19/608022119.db2.gz GIPXIDNTIFKAGV-LUAWRHEFSA-N 0 1 384.419 1.923 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccn(C3CCCC3)n2)c1-c1nnn[n-]1 ZINC000826083045 608023132 /nfs/dbraw/zinc/02/31/32/608023132.db2.gz HBJALBONHKEDAY-UHFFFAOYSA-N 0 1 384.448 1.306 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccn(C3CCCC3)n2)c1-c1nn[n-]n1 ZINC000826083045 608023133 /nfs/dbraw/zinc/02/31/33/608023133.db2.gz HBJALBONHKEDAY-UHFFFAOYSA-N 0 1 384.448 1.306 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3c2cccc3C)c1-c1nnn[n-]1 ZINC000826077758 608023148 /nfs/dbraw/zinc/02/31/48/608023148.db2.gz UENXWQRRUVOMTO-UHFFFAOYSA-N 0 1 393.455 1.713 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3c2cccc3C)c1-c1nn[n-]n1 ZINC000826077758 608023149 /nfs/dbraw/zinc/02/31/49/608023149.db2.gz UENXWQRRUVOMTO-UHFFFAOYSA-N 0 1 393.455 1.713 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2=Cc3cc(F)ccc3OC2)c1-c1nnn[n-]1 ZINC000826077457 608077032 /nfs/dbraw/zinc/07/70/32/608077032.db2.gz IRJWXXMTDRJFMS-UHFFFAOYSA-N 0 1 398.402 1.295 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2=Cc3cc(F)ccc3OC2)c1-c1nn[n-]n1 ZINC000826077457 608077033 /nfs/dbraw/zinc/07/70/33/608077033.db2.gz IRJWXXMTDRJFMS-UHFFFAOYSA-N 0 1 398.402 1.295 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000826279734 608097268 /nfs/dbraw/zinc/09/72/68/608097268.db2.gz ZVAZQNOYRGWTBL-SNVBAGLBSA-N 0 1 376.446 1.456 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000824358155 608097599 /nfs/dbraw/zinc/09/75/99/608097599.db2.gz AJDMUIPCJKVASM-MRVPVSSYSA-N 0 1 380.409 1.287 20 0 GDADMN Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2ccnc2-c2nnn[n-]2)CC1 ZINC000826307323 608149213 /nfs/dbraw/zinc/14/92/13/608149213.db2.gz CZBFWNNHZOCGAZ-UHFFFAOYSA-N 0 1 380.456 1.152 20 0 GDADMN Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2ccnc2-c2nn[n-]n2)CC1 ZINC000826307323 608149215 /nfs/dbraw/zinc/14/92/15/608149215.db2.gz CZBFWNNHZOCGAZ-UHFFFAOYSA-N 0 1 380.456 1.152 20 0 GDADMN CC(C)C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)NCC[NH+](C)C ZINC000824274503 608191802 /nfs/dbraw/zinc/19/18/02/608191802.db2.gz ISORTYCTXABKLH-VIFPVBQESA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)NCC[NH+](C)C ZINC000824274503 608191803 /nfs/dbraw/zinc/19/18/03/608191803.db2.gz ISORTYCTXABKLH-VIFPVBQESA-N 0 1 386.913 1.481 20 0 GDADMN CN(CC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCSC1 ZINC000825892053 608209828 /nfs/dbraw/zinc/20/98/28/608209828.db2.gz DIPQVUYZCSSFMI-CVEARBPZSA-N 0 1 388.497 1.204 20 0 GDADMN CCN1C[C@H](C)N(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C[C@H]1C ZINC000825445248 608247020 /nfs/dbraw/zinc/24/70/20/608247020.db2.gz YMAFKPMWDXBYRQ-OLZOCXBDSA-N 0 1 395.471 1.189 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000826425636 608250919 /nfs/dbraw/zinc/25/09/19/608250919.db2.gz MCNWJQQCQYBZMB-UHFFFAOYSA-N 0 1 376.783 1.099 20 0 GDADMN CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1 ZINC000825193097 608264115 /nfs/dbraw/zinc/26/41/15/608264115.db2.gz KEPBVEMTIMAZQC-JSGCOSHPSA-N 0 1 388.476 1.075 20 0 GDADMN CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000825193097 608264118 /nfs/dbraw/zinc/26/41/18/608264118.db2.gz KEPBVEMTIMAZQC-JSGCOSHPSA-N 0 1 388.476 1.075 20 0 GDADMN CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000825193097 608264119 /nfs/dbraw/zinc/26/41/19/608264119.db2.gz KEPBVEMTIMAZQC-JSGCOSHPSA-N 0 1 388.476 1.075 20 0 GDADMN C[C@@H](C(N)=O)N(C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC000824967685 608267768 /nfs/dbraw/zinc/26/77/68/608267768.db2.gz MTIZNUDQNMPDIA-UWVGGRQHSA-N 0 1 391.501 1.187 20 0 GDADMN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000824487730 608316627 /nfs/dbraw/zinc/31/66/27/608316627.db2.gz CEUUVGZEFGNQFZ-UWVGGRQHSA-N 0 1 394.361 1.785 20 0 GDADMN CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825887450 608331769 /nfs/dbraw/zinc/33/17/69/608331769.db2.gz GQJAHNROBXOMDS-CQSZACIVSA-N 0 1 380.449 1.004 20 0 GDADMN CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825887439 608331986 /nfs/dbraw/zinc/33/19/86/608331986.db2.gz GQJAHNROBXOMDS-AWEZNQCLSA-N 0 1 380.449 1.004 20 0 GDADMN CCCc1nc([C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3OC)CCO2)n[nH]1 ZINC000825352829 608366238 /nfs/dbraw/zinc/36/62/38/608366238.db2.gz QUMKSIUWBWUDLA-OAHLLOKOSA-N 0 1 384.444 1.519 20 0 GDADMN CCCc1n[nH]c([C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3OC)CCO2)n1 ZINC000825352829 608366240 /nfs/dbraw/zinc/36/62/40/608366240.db2.gz QUMKSIUWBWUDLA-OAHLLOKOSA-N 0 1 384.444 1.519 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000826168288 608366680 /nfs/dbraw/zinc/36/66/80/608366680.db2.gz IWGNRLOCRNVPQF-HNNXBMFYSA-N 0 1 384.444 1.273 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000826168921 608375631 /nfs/dbraw/zinc/37/56/31/608375631.db2.gz CFAMDLDENXXPGX-SJORKVTESA-N 0 1 383.456 1.697 20 0 GDADMN C[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1sccc1C(N)=O ZINC000824531393 608464718 /nfs/dbraw/zinc/46/47/18/608464718.db2.gz PJNLGARXFQEWIH-VHSXEESVSA-N 0 1 385.453 1.705 20 0 GDADMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(-c2nn[nH]n2)cs1 ZINC000824761952 608503949 /nfs/dbraw/zinc/50/39/49/608503949.db2.gz DHNIKXAPMCIXNN-SNVBAGLBSA-N 0 1 378.483 1.769 20 0 GDADMN COc1ccc(C2(NCC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826189886 608521216 /nfs/dbraw/zinc/52/12/16/608521216.db2.gz IEAKLZBZZLTZRS-UHFFFAOYSA-N 0 1 378.436 1.770 20 0 GDADMN c1nc2ccc(-c3nn[nH]n3)cn2c1CN1CCC(Nc2cccnn2)CC1 ZINC000826525840 608685645 /nfs/dbraw/zinc/68/56/45/608685645.db2.gz AZLABFGSFBXRMI-UHFFFAOYSA-N 0 1 376.428 1.381 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1ccc(F)cc1Cl ZINC000825934365 608802297 /nfs/dbraw/zinc/80/22/97/608802297.db2.gz ONGQOCQXJWMXSI-UHFFFAOYSA-N 0 1 394.842 1.908 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCOc1ccc(F)cc1Cl ZINC000825934365 608802298 /nfs/dbraw/zinc/80/22/98/608802298.db2.gz ONGQOCQXJWMXSI-UHFFFAOYSA-N 0 1 394.842 1.908 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1ccc(F)cc1Cl ZINC000825934365 608802300 /nfs/dbraw/zinc/80/23/00/608802300.db2.gz ONGQOCQXJWMXSI-UHFFFAOYSA-N 0 1 394.842 1.908 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCOc1ccc(F)cc1Cl ZINC000825934365 608802301 /nfs/dbraw/zinc/80/23/01/608802301.db2.gz ONGQOCQXJWMXSI-UHFFFAOYSA-N 0 1 394.842 1.908 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000825001359 608833993 /nfs/dbraw/zinc/83/39/93/608833993.db2.gz ZTHFSQUPUMVJGJ-CQSZACIVSA-N 0 1 387.451 1.916 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000825001359 608833997 /nfs/dbraw/zinc/83/39/97/608833997.db2.gz ZTHFSQUPUMVJGJ-CQSZACIVSA-N 0 1 387.451 1.916 20 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/nfs/dbraw/zinc/07/57/39/650075739.db2.gz UZYINDNAEWXABV-SECBINFHSA-N 0 1 377.260 1.309 20 0 GDADMN O=S(=O)(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cncc(Cl)c1 ZINC000533632649 650211291 /nfs/dbraw/zinc/21/12/91/650211291.db2.gz LHAMIAYEGVJCJB-KRWDZBQOSA-N 0 1 381.885 1.650 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@H]1CCCS1 ZINC000534904357 650234491 /nfs/dbraw/zinc/23/44/91/650234491.db2.gz TVVJQQXMKNGXLI-GFCCVEGCSA-N 0 1 394.540 1.631 20 0 GDADMN CN(CC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1)[C@H]1CCSC1 ZINC000535019489 650238244 /nfs/dbraw/zinc/23/82/44/650238244.db2.gz CNYUWKNNTVRAEA-HNNXBMFYSA-N 0 1 383.539 1.232 20 0 GDADMN CCOC(=O)c1cc(Br)cc(S(=O)(=O)N(C)CCN(C)C)c1 ZINC000535246675 650244354 /nfs/dbraw/zinc/24/43/54/650244354.db2.gz LWPHTKAPOZLLEF-UHFFFAOYSA-N 0 1 393.303 1.808 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC(C)(C)COC ZINC000535594852 650250716 /nfs/dbraw/zinc/25/07/16/650250716.db2.gz HRQXZYPROISONB-UHFFFAOYSA-N 0 1 380.488 1.160 20 0 GDADMN CCN1C[C@H](C)N(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000535736226 650254837 /nfs/dbraw/zinc/25/48/37/650254837.db2.gz UQVAMYYPHGCVAN-KBPBESRZSA-N 0 1 388.559 1.493 20 0 GDADMN COc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)c(F)c2)cc1F ZINC000536658079 650276871 /nfs/dbraw/zinc/27/68/71/650276871.db2.gz LDRCERNHZMWFFH-UHFFFAOYSA-N 0 1 378.378 1.422 20 0 GDADMN COCCCOCCN(C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000536884834 650282270 /nfs/dbraw/zinc/28/22/70/650282270.db2.gz HNCZYMAMRPXNRS-UHFFFAOYSA-N 0 1 384.274 1.942 20 0 GDADMN Cn1ccnc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)c1=O ZINC000537675904 650298562 /nfs/dbraw/zinc/29/85/62/650298562.db2.gz WDKFVFMKSUJYDZ-UHFFFAOYSA-N 0 1 393.241 1.211 20 0 GDADMN C[C@H](NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br)c1nnc[nH]1 ZINC000537557781 650295161 /nfs/dbraw/zinc/29/51/61/650295161.db2.gz QOYCFBAXVPFYOB-YFKPBYRVSA-N 0 1 387.219 1.189 20 0 GDADMN C[C@@H]1[C@@H](C)N(CC(=O)NCC(=O)Nc2ccccc2Br)CCN1C ZINC000540052854 650348090 /nfs/dbraw/zinc/34/80/90/650348090.db2.gz LNNAMQFCMQJMRK-CHWSQXEVSA-N 0 1 397.317 1.528 20 0 GDADMN CC(C)NC(=O)CN(C)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000542486363 650406139 /nfs/dbraw/zinc/40/61/39/650406139.db2.gz GLFCUKWYQUXJBF-UHFFFAOYSA-N 0 1 380.242 1.887 20 0 GDADMN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)c1ncn[nH]1 ZINC000542827149 650413909 /nfs/dbraw/zinc/41/39/09/650413909.db2.gz WALSJHKYBFBURU-LLVKDONJSA-N 0 1 392.213 1.563 20 0 GDADMN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)c1nc[nH]n1 ZINC000542827149 650413912 /nfs/dbraw/zinc/41/39/12/650413912.db2.gz WALSJHKYBFBURU-LLVKDONJSA-N 0 1 392.213 1.563 20 0 GDADMN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2Cn2cncn2)s1 ZINC000543639786 650425260 /nfs/dbraw/zinc/42/52/60/650425260.db2.gz PIQRITXMXMAYDI-UHFFFAOYSA-N 0 1 378.435 1.975 20 0 GDADMN COc1cc(Br)ccc1CCC(=O)NC[C@@H]1CN(C)CCN1C ZINC000543961286 650432716 /nfs/dbraw/zinc/43/27/16/650432716.db2.gz HPHBGCSNZIGQCM-OAHLLOKOSA-N 0 1 384.318 1.752 20 0 GDADMN O=C(NCCNc1cc[nH+]cc1)c1ccc(I)c([O-])c1 ZINC000546201175 650474425 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945764457 /nfs/dbraw/zinc/76/44/57/945764457.db2.gz SMEGAJGIGIDBED-RHSMWYFYSA-N 0 1 386.456 1.135 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279863 945791047 /nfs/dbraw/zinc/79/10/47/945791047.db2.gz YCKUJGLTYNTSKU-JQWIXIFHSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279863 945791054 /nfs/dbraw/zinc/79/10/54/945791054.db2.gz YCKUJGLTYNTSKU-JQWIXIFHSA-N 0 1 387.444 1.855 20 0 GDADMN CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001571281583 945807807 /nfs/dbraw/zinc/80/78/07/945807807.db2.gz JHSGEZDFGSKAJG-CZUORRHYSA-N 0 1 387.463 1.575 20 0 GDADMN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccncc1F ZINC001571281828 945817220 /nfs/dbraw/zinc/81/72/20/945817220.db2.gz APTXTUCNQDPJJT-PHIMTYICSA-N 0 1 387.444 1.761 20 0 GDADMN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccncc1F ZINC001571281828 945817245 /nfs/dbraw/zinc/81/72/45/945817245.db2.gz APTXTUCNQDPJJT-PHIMTYICSA-N 0 1 387.444 1.761 20 0 GDADMN CN1CCCC[C@@H]1C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281885 945820656 /nfs/dbraw/zinc/82/06/56/945820656.db2.gz BMWZPBZMPXCLCP-NVXWUHKLSA-N 0 1 387.463 1.181 20 0 GDADMN C[C@H](NCc1nncs1)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571281884 945820835 /nfs/dbraw/zinc/82/08/35/945820835.db2.gz PJPARBOCAHBLCM-QWRGUYRKSA-N 0 1 387.473 1.077 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@H]1C[C@H]1c1ccccc1 ZINC001571282948 945868585 /nfs/dbraw/zinc/86/85/85/945868585.db2.gz WKEGKBQDEJPOLC-CARYNNKMSA-N 0 1 387.447 1.616 20 0 GDADMN CC[C@@H](C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[NH+](C)C ZINC001571283396 945882891 /nfs/dbraw/zinc/88/28/91/945882891.db2.gz FCWXCJKSYMSQNC-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@@H](C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571283396 945882905 /nfs/dbraw/zinc/88/29/05/945882905.db2.gz FCWXCJKSYMSQNC-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCCN1C(=O)c1cnon1 ZINC001571289375 946004881 /nfs/dbraw/zinc/00/48/81/946004881.db2.gz AZZQELCXPOECIU-LLVKDONJSA-N 0 1 388.457 1.438 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCCN1C(=O)c1cnon1 ZINC001571289375 946004893 /nfs/dbraw/zinc/00/48/93/946004893.db2.gz AZZQELCXPOECIU-LLVKDONJSA-N 0 1 388.457 1.438 20 0 GDADMN Cc1nonc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001571289422 946007578 /nfs/dbraw/zinc/00/75/78/946007578.db2.gz CRZLKNVKVDWVTF-MWLCHTKSSA-N 0 1 388.457 1.118 20 0 GDADMN Cc1nonc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001571289422 946007587 /nfs/dbraw/zinc/00/75/87/946007587.db2.gz CRZLKNVKVDWVTF-MWLCHTKSSA-N 0 1 388.457 1.118 20 0 GDADMN O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1(F)CCCCC1 ZINC001571289789 946018760 /nfs/dbraw/zinc/01/87/60/946018760.db2.gz MOACHKZKHVEBIN-OLZOCXBDSA-N 0 1 388.451 1.448 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571290186 946031956 /nfs/dbraw/zinc/03/19/56/946031956.db2.gz XEZMYKNGATWFTD-VNHYZAJKSA-N 0 1 388.497 1.388 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571290186 946031965 /nfs/dbraw/zinc/03/19/65/946031965.db2.gz XEZMYKNGATWFTD-VNHYZAJKSA-N 0 1 388.497 1.388 20 0 GDADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(Cl)o1 ZINC001571290677 946050238 /nfs/dbraw/zinc/05/02/38/946050238.db2.gz LPNWYSWBZLNWKK-VHSXEESVSA-N 0 1 388.819 1.430 20 0 GDADMN O=C([C@@H]1CCCCC1(F)F)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571294435 946134672 /nfs/dbraw/zinc/13/46/72/946134672.db2.gz GGUMVAIRVMKJNI-SRVKXCTJSA-N 0 1 390.398 1.272 20 0 GDADMN O=C(CCc1cncs1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571295019 946151492 /nfs/dbraw/zinc/15/14/92/946151492.db2.gz NPRXAHJBEDBESV-NSHDSACASA-N 0 1 389.510 1.708 20 0 GDADMN O=C(CCc1cncs1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571295019 946151502 /nfs/dbraw/zinc/15/15/02/946151502.db2.gz NPRXAHJBEDBESV-NSHDSACASA-N 0 1 389.510 1.708 20 0 GDADMN Cc1cc(C(F)F)oc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571295210 946156904 /nfs/dbraw/zinc/15/69/04/946156904.db2.gz VWPCZMOLFCLWNG-VIFPVBQESA-N 0 1 390.354 1.244 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1CNC(=O)C1=COCCO1 ZINC001571298248 946210640 /nfs/dbraw/zinc/21/06/40/946210640.db2.gz LDDOFEGVPPOEGK-VXGBXAGGSA-N 0 1 390.469 1.001 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1CNC(=O)C1=COCCO1 ZINC001571298248 946210648 /nfs/dbraw/zinc/21/06/48/946210648.db2.gz LDDOFEGVPPOEGK-VXGBXAGGSA-N 0 1 390.469 1.001 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1CNC(=O)C1=COCCO1 ZINC001571298248 946210659 /nfs/dbraw/zinc/21/06/59/946210659.db2.gz LDDOFEGVPPOEGK-VXGBXAGGSA-N 0 1 390.469 1.001 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1CNC(=O)C1=COCCO1 ZINC001571298248 946210669 /nfs/dbraw/zinc/21/06/69/946210669.db2.gz LDDOFEGVPPOEGK-VXGBXAGGSA-N 0 1 390.469 1.001 20 0 GDADMN O=C(NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC001571298229 946210900 /nfs/dbraw/zinc/21/09/00/946210900.db2.gz KKXQPOMRRLAUAV-JKSUJKDBSA-N 0 1 390.451 1.353 20 0 GDADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccc2c1CCC2 ZINC001571298301 946212218 /nfs/dbraw/zinc/21/22/18/946212218.db2.gz MWRMBQOWHOFWTI-UHFFFAOYSA-N 0 1 390.451 1.188 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1csc(Cl)c1 ZINC001571299884 946264558 /nfs/dbraw/zinc/26/45/58/946264558.db2.gz QFJJWFFOZPIPBK-WPRPVWTQSA-N 0 1 390.860 1.509 20 0 GDADMN CN1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571300300 946276728 /nfs/dbraw/zinc/27/67/28/946276728.db2.gz ZFEIHZYFYCRXMM-GXTWGEPZSA-N 0 1 390.879 1.094 20 0 GDADMN C[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCO1 ZINC001571300269 946278141 /nfs/dbraw/zinc/27/81/41/946278141.db2.gz YGRCCEMDPIOXSD-FQUUOJAGSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001571300269 946278153 /nfs/dbraw/zinc/27/81/53/946278153.db2.gz YGRCCEMDPIOXSD-FQUUOJAGSA-N 0 1 390.513 1.728 20 0 GDADMN CC(=O)N[C@H]1C[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)Oc2ccccc21 ZINC001573493011 946295102 /nfs/dbraw/zinc/29/51/02/946295102.db2.gz FTPBHFBQZZFEIZ-IFXJQAMLSA-N 0 1 392.423 1.266 20 0 GDADMN O=C(NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1COc2ccccc21 ZINC001571302949 946320424 /nfs/dbraw/zinc/32/04/24/946320424.db2.gz FKBUSHNSVBXXEP-INIZCTEOSA-N 0 1 391.435 1.523 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C2CC2)n1 ZINC001571303094 946324137 /nfs/dbraw/zinc/32/41/37/946324137.db2.gz LHLVNXMIOXFMKK-ZDUSSCGKSA-N 0 1 391.439 1.246 20 0 GDADMN Cc1cc(N2CCC3(C[C@@H]3NC(=O)c3ccnnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303843 946349327 /nfs/dbraw/zinc/34/93/27/946349327.db2.gz ZDZQAWZMQOMZGR-INIZCTEOSA-N 0 1 391.439 1.149 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2scnc2Cl)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571305872 946380252 /nfs/dbraw/zinc/38/02/52/946380252.db2.gz MNTOAWTZTVHYIF-SFYZADRCSA-N 0 1 391.848 1.164 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC001571306348 946396802 /nfs/dbraw/zinc/39/68/02/946396802.db2.gz TWQKUNFJWLSFKF-OAHLLOKOSA-N 0 1 391.479 1.758 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCC2(F)F)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571309128 946439615 /nfs/dbraw/zinc/43/96/15/946439615.db2.gz WYTGIVISJZMBKR-UTUOFQBUSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571314053 946540755 /nfs/dbraw/zinc/54/07/55/946540755.db2.gz ZGBHJFKHXUWTJC-GDBMZVCRSA-N 0 1 392.467 1.218 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314914 946544600 /nfs/dbraw/zinc/54/46/00/946544600.db2.gz DMMNWFZNXKCNQF-FZKQIMNGSA-N 0 1 392.467 1.576 20 0 GDADMN Cc1ccc(CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571314987 946546577 /nfs/dbraw/zinc/54/65/77/946546577.db2.gz FZSHMVZJEWJMCX-MRXNPFEDSA-N 0 1 392.467 1.280 20 0 GDADMN Cc1cc(C)cc(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316004 946563121 /nfs/dbraw/zinc/56/31/21/946563121.db2.gz RKBXIRCVIQIFTQ-MRXNPFEDSA-N 0 1 392.467 1.601 20 0 GDADMN Cn1cccc1C(=O)N1C[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C1 ZINC001571316872 946590751 /nfs/dbraw/zinc/59/07/51/946590751.db2.gz ORUNYCDQDSSOGL-CWRNSKLLSA-N 0 1 392.467 1.375 20 0 GDADMN Cc1cnccc1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571317081 946599957 /nfs/dbraw/zinc/59/99/57/946599957.db2.gz VBLFAPDYOGBZPH-GDBMZVCRSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1cncc(CC(=O)N[C@H]2CC[C@H](Nc3ccncc3-c3nn[nH]n3)CC2)c1 ZINC001571317254 946604307 /nfs/dbraw/zinc/60/43/07/946604307.db2.gz ZJRBFFFKJCFXHF-WKILWMFISA-N 0 1 392.467 1.469 20 0 GDADMN C[C@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317358 946606120 /nfs/dbraw/zinc/60/61/20/946606120.db2.gz DYLARVJYZKCZBW-WCBMZHEXSA-N 0 1 392.876 1.888 20 0 GDADMN O=C(c1ncc[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001571317340 946606993 /nfs/dbraw/zinc/60/69/93/946606993.db2.gz DIMKEVINHUJGNA-FQEVSTJZSA-N 0 1 392.467 1.718 20 0 GDADMN C[C@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317359 946609649 /nfs/dbraw/zinc/60/96/49/946609649.db2.gz DYLARVJYZKCZBW-WPRPVWTQSA-N 0 1 392.876 1.888 20 0 GDADMN CC[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1snc(C)c1-c1nn[n-]n1)[NH+](C)C ZINC001571317510 946612161 /nfs/dbraw/zinc/61/21/61/946612161.db2.gz KNCLYADIJCKOKV-OLZOCXBDSA-N 0 1 392.533 1.399 20 0 GDADMN CC[C@@H](C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317821 946621858 /nfs/dbraw/zinc/62/18/58/946621858.db2.gz WIPVNKMLCJTVED-SJCJKPOMSA-N 0 1 392.533 1.622 20 0 GDADMN CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(-c3nn[nH]n3)c(O)c1)CC2 ZINC001573546622 946813936 /nfs/dbraw/zinc/81/39/36/946813936.db2.gz IIUKQJVRLOFOHE-UHFFFAOYSA-N 0 1 378.392 1.729 20 0 GDADMN CC(=O)Nc1cccc2c1CN(C(=O)c1ccc(-c3nn[nH]n3)c(O)c1)CC2 ZINC001573548980 946861390 /nfs/dbraw/zinc/86/13/90/946861390.db2.gz ZONCSPKTGVVHSS-UHFFFAOYSA-N 0 1 378.392 1.729 20 0 GDADMN CC1(C)CN(C(=O)C2CC2)CCN1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824808716 946939754 /nfs/dbraw/zinc/93/97/54/946939754.db2.gz XNQVNZBVTLNMCQ-UHFFFAOYSA-N 0 1 397.483 1.528 20 0 GDADMN CC(=O)c1cncc(C(=O)Nc2c(-c3nn[nH]n3)nnn2Cc2ccccc2)c1 ZINC001573559059 946948110 /nfs/dbraw/zinc/94/81/10/946948110.db2.gz XAVCEGGXOYJMRD-UHFFFAOYSA-N 0 1 389.379 1.356 20 0 GDADMN C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC(C)(C)C1 ZINC000824983540 947020929 /nfs/dbraw/zinc/02/09/29/947020929.db2.gz BGOKXZKAEHAZDU-CQSZACIVSA-N 0 1 397.483 1.956 20 0 GDADMN CCCc1nc([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cc3C)CCO2)n[nH]1 ZINC000825353349 947164747 /nfs/dbraw/zinc/16/47/47/947164747.db2.gz WODPTFRGDVDYRB-AWEZNQCLSA-N 0 1 382.428 1.459 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cc3C)CCO2)n1 ZINC000825353349 947164752 /nfs/dbraw/zinc/16/47/52/947164752.db2.gz WODPTFRGDVDYRB-AWEZNQCLSA-N 0 1 382.428 1.459 20 0 GDADMN CCn1nccc1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825807353 947339751 /nfs/dbraw/zinc/33/97/51/947339751.db2.gz QUZQBYQYNSSOIP-UHFFFAOYSA-N 0 1 395.471 1.823 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573592570 947342043 /nfs/dbraw/zinc/34/20/43/947342043.db2.gz KNOCAZZXSBBZEQ-AWEZNQCLSA-N 0 1 380.456 1.752 20 0 GDADMN CN(Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CN(C)CCO1 ZINC000826045301 947417958 /nfs/dbraw/zinc/41/79/58/947417958.db2.gz UFAWDMYWGGTZQU-QGZVFWFLSA-N 0 1 382.472 1.030 20 0 GDADMN C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1F ZINC001573603416 947487575 /nfs/dbraw/zinc/48/75/75/947487575.db2.gz GLCZKULJCLLMSZ-SNVBAGLBSA-N 0 1 388.382 1.031 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)c1cccnc1 ZINC001573613792 947570819 /nfs/dbraw/zinc/57/08/19/947570819.db2.gz IZNYJFXGOHPIJH-CXAGYDPISA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573614144 947578177 /nfs/dbraw/zinc/57/81/77/947578177.db2.gz CFQHZNIJVZPXCK-WDEREUQCSA-N 0 1 380.403 1.020 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)c1ccco1 ZINC001573616158 947617142 /nfs/dbraw/zinc/61/71/42/947617142.db2.gz VOTHRYADVAUIGS-DGCLKSJQSA-N 0 1 382.428 1.124 20 0 GDADMN C[C@@H](C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)n1cccc1 ZINC001573616507 947623475 /nfs/dbraw/zinc/62/34/75/947623475.db2.gz WWAPCMYXBKINPK-BBRMVZONSA-N 0 1 380.456 1.395 20 0 GDADMN C[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccsc1 ZINC001573623731 947690155 /nfs/dbraw/zinc/69/01/55/947690155.db2.gz HZUKMOVXLXVKJV-LLVKDONJSA-N 0 1 384.469 1.347 20 0 GDADMN Cc1c(Cl)cnc(NCc2cccnc2N2CCN(C)CC2)c1-c1nn[nH]n1 ZINC000826240562 947714300 /nfs/dbraw/zinc/71/43/00/947714300.db2.gz ZZWSAGMPTURCMN-UHFFFAOYSA-N 0 1 399.890 1.982 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1C(=O)OCCOCCNC(=O)C(F)(F)F ZINC000826252135 947729346 /nfs/dbraw/zinc/72/93/46/947729346.db2.gz QICJSMMHDUQNJB-UHFFFAOYSA-N 0 1 387.318 1.027 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001573369673 947775749 /nfs/dbraw/zinc/77/57/49/947775749.db2.gz WKDPWGHIROXVRQ-TZMCWYRMSA-N 0 1 390.513 1.872 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001573369673 947775751 /nfs/dbraw/zinc/77/57/51/947775751.db2.gz WKDPWGHIROXVRQ-TZMCWYRMSA-N 0 1 390.513 1.872 20 0 GDADMN CC(=O)CCCC(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573373748 947800049 /nfs/dbraw/zinc/80/00/49/947800049.db2.gz LCVISVAJBBFTDB-UHFFFAOYSA-N 0 1 376.486 1.768 20 0 GDADMN CC(=O)CCCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573373748 947800055 /nfs/dbraw/zinc/80/00/55/947800055.db2.gz LCVISVAJBBFTDB-UHFFFAOYSA-N 0 1 376.486 1.768 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001573382856 947887739 /nfs/dbraw/zinc/88/77/39/947887739.db2.gz LJHUSNVLYXVDQQ-IUODEOHRSA-N 0 1 385.472 1.518 20 0 GDADMN Cc1onc(CC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1-c1nnn[n-]1 ZINC000826346287 948037998 /nfs/dbraw/zinc/03/79/98/948037998.db2.gz IMHZHPLOZCQZEB-UHFFFAOYSA-N 0 1 387.488 1.865 20 0 GDADMN Cc1onc(CC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1-c1nn[n-]n1 ZINC000826346287 948038004 /nfs/dbraw/zinc/03/80/04/948038004.db2.gz IMHZHPLOZCQZEB-UHFFFAOYSA-N 0 1 387.488 1.865 20 0 GDADMN Cc1onc(CC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826347006 948047843 /nfs/dbraw/zinc/04/78/43/948047843.db2.gz AWCBQXBTOOVHBN-BETUJISGSA-N 0 1 375.477 1.580 20 0 GDADMN Cc1onc(CC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826347006 948047853 /nfs/dbraw/zinc/04/78/53/948047853.db2.gz AWCBQXBTOOVHBN-BETUJISGSA-N 0 1 375.477 1.580 20 0 GDADMN Cc1onc(CC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826347006 948047863 /nfs/dbraw/zinc/04/78/63/948047863.db2.gz AWCBQXBTOOVHBN-BETUJISGSA-N 0 1 375.477 1.580 20 0 GDADMN Cc1onc(CC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826347006 948047875 /nfs/dbraw/zinc/04/78/75/948047875.db2.gz AWCBQXBTOOVHBN-BETUJISGSA-N 0 1 375.477 1.580 20 0 GDADMN C[C@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573665320 948071663 /nfs/dbraw/zinc/07/16/63/948071663.db2.gz KRJYDEKNXFCKBD-HIFPTAJRSA-N 0 1 382.428 1.315 20 0 GDADMN C[C@H](C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C(C)(F)F ZINC001573666432 948086519 /nfs/dbraw/zinc/08/65/19/948086519.db2.gz TUFHAUAVVZYZER-QGPLQOLKSA-N 0 1 392.414 1.209 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CCC1 ZINC001573675903 948123111 /nfs/dbraw/zinc/12/31/11/948123111.db2.gz RPFDKQNUDPNLJZ-GXTWGEPZSA-N 0 1 384.488 1.814 20 0 GDADMN NC(=O)c1csc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826394086 948202422 /nfs/dbraw/zinc/20/24/22/948202422.db2.gz WJFKLJJPAVCDHN-OAHLLOKOSA-N 0 1 397.464 1.312 20 0 GDADMN C[C@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@H]1CCCO1 ZINC001573692690 948272097 /nfs/dbraw/zinc/27/20/97/948272097.db2.gz RVFSWYYVZKBHJD-BLLLJJGKSA-N 0 1 388.447 1.559 20 0 GDADMN C[C@H](C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)C(F)(F)F ZINC001573693347 948280286 /nfs/dbraw/zinc/28/02/86/948280286.db2.gz WVGPRWFBNQDDMJ-SECBINFHSA-N 0 1 386.353 1.943 20 0 GDADMN C[C@H](C(=O)NC[C@@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573696429 948324940 /nfs/dbraw/zinc/32/49/40/948324940.db2.gz QAIYXOUZRVDBAI-BUXKBTBVSA-N 0 1 388.447 1.105 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573703190 948353696 /nfs/dbraw/zinc/35/36/96/948353696.db2.gz IVJLJXCAPPIOMP-KBPBESRZSA-N 0 1 384.488 1.816 20 0 GDADMN O=C1[C@H](N2CCC(C3OCCO3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476701 948383112 /nfs/dbraw/zinc/38/31/12/948383112.db2.gz NAJUGKIWAVATJU-QGZVFWFLSA-N 0 1 398.467 1.447 20 0 GDADMN O=C1[C@@H](N2CCC([C@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477038 948385824 /nfs/dbraw/zinc/38/58/24/948385824.db2.gz UOZKVKSHSUSLKI-WMZOPIPTSA-N 0 1 382.468 1.721 20 0 GDADMN C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573705411 948399611 /nfs/dbraw/zinc/39/96/11/948399611.db2.gz HRIDCYHJBYEZNF-VIFPVBQESA-N 0 1 384.366 1.188 20 0 GDADMN C[C@@H](C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573706965 948427165 /nfs/dbraw/zinc/42/71/65/948427165.db2.gz LSTJLIZHTVVOLW-CQSZACIVSA-N 0 1 377.452 1.613 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CN(c2ccncc2-c2nn[nH]n2)CCC1(F)F)C1CC1 ZINC001573707077 948428334 /nfs/dbraw/zinc/42/83/34/948428334.db2.gz MAGOSSQDGMYAOB-YPMHNXCESA-N 0 1 391.426 1.886 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)CCC1(F)F)C1CC1 ZINC001573707073 948428862 /nfs/dbraw/zinc/42/88/62/948428862.db2.gz MAGOSSQDGMYAOB-DGCLKSJQSA-N 0 1 391.426 1.886 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573714362 948472245 /nfs/dbraw/zinc/47/22/45/948472245.db2.gz GQMRQTOTZLOWBV-KBPBESRZSA-N 0 1 381.440 1.991 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573742235 948659507 /nfs/dbraw/zinc/65/95/07/948659507.db2.gz IWMJUAGGWSOWTR-ZJUUUORDSA-N 0 1 388.382 1.077 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)c1cccs1 ZINC001573745749 948675161 /nfs/dbraw/zinc/67/51/61/948675161.db2.gz HSZOWLZLAUNUDB-UTUOFQBUSA-N 0 1 384.469 1.605 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573748319 948693824 /nfs/dbraw/zinc/69/38/24/948693824.db2.gz RUGGVKPQCBYTDB-AVGNSLFASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573748319 948693828 /nfs/dbraw/zinc/69/38/28/948693828.db2.gz RUGGVKPQCBYTDB-AVGNSLFASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)C1CCC1 ZINC001573753954 948722924 /nfs/dbraw/zinc/72/29/24/948722924.db2.gz YOSBKNLMEGXTOV-ZUHTVMMCSA-N 0 1 384.459 1.988 20 0 GDADMN CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574416152 948744256 /nfs/dbraw/zinc/74/42/56/948744256.db2.gz PQHLYGYIJLNPBX-NWDGAFQWSA-N 0 1 381.444 1.216 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575221715 948750957 /nfs/dbraw/zinc/75/09/57/948750957.db2.gz BVKFHHLLEBCMAO-NSHDSACASA-N 0 1 392.414 1.165 20 0 GDADMN CC(F)(F)CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001575223832 948772238 /nfs/dbraw/zinc/77/22/38/948772238.db2.gz GHSVYUAGGZXSST-BZNIZROVSA-N 0 1 377.399 1.592 20 0 GDADMN CC(C)c1cccc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574418458 948777077 /nfs/dbraw/zinc/77/70/77/948777077.db2.gz VWSAXLDSARKRTL-LBPRGKRZSA-N 0 1 381.444 1.218 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575224157 948777848 /nfs/dbraw/zinc/77/78/48/948777848.db2.gz JRGBWUKXLRVASH-AXFHLTTASA-N 0 1 378.387 1.176 20 0 GDADMN CC(C)c1ccccc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574419948 948790238 /nfs/dbraw/zinc/79/02/38/948790238.db2.gz LMEFMZARDKSILO-UHFFFAOYSA-N 0 1 392.467 1.967 20 0 GDADMN C[C@H](C(=O)Nc1ccnc(C(=O)OC(C)(C)C)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756260 948806442 /nfs/dbraw/zinc/80/64/42/948806442.db2.gz YFKZVFOZASFNCQ-SECBINFHSA-N 0 1 385.388 1.008 20 0 GDADMN CC(F)(F)CC(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575227766 948832148 /nfs/dbraw/zinc/83/21/48/948832148.db2.gz ZLTNABSCQIWXFZ-MNOVXSKESA-N 0 1 378.387 1.129 20 0 GDADMN CC(C)c1nc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574424580 948860481 /nfs/dbraw/zinc/86/04/81/948860481.db2.gz QWGMSOVLJTWGIC-NXEZZACHSA-N 0 1 387.473 1.277 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)F ZINC001573763378 948870084 /nfs/dbraw/zinc/87/00/84/948870084.db2.gz DQFREPMLPSDMJR-LBPRGKRZSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574684744 948883270 /nfs/dbraw/zinc/88/32/70/948883270.db2.gz LYYRLAZNAJOBTK-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574684744 948883312 /nfs/dbraw/zinc/88/33/12/948883312.db2.gz LYYRLAZNAJOBTK-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574684744 948883330 /nfs/dbraw/zinc/88/33/30/948883330.db2.gz LYYRLAZNAJOBTK-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cc1c[nH]cn1 ZINC001574684715 948884713 /nfs/dbraw/zinc/88/47/13/948884713.db2.gz LLIVSESDVCBSMB-ZETCQYMHSA-N 0 1 381.853 1.249 20 0 GDADMN CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575234343 948897387 /nfs/dbraw/zinc/89/73/87/948897387.db2.gz BCNWOPYIHDXEQS-NEPJUHHUSA-N 0 1 392.414 1.662 20 0 GDADMN CC(C)c1ncc(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)[nH]1 ZINC001574427631 948907887 /nfs/dbraw/zinc/90/78/87/948907887.db2.gz KRWACLXIJBWMEZ-UHFFFAOYSA-N 0 1 381.849 1.845 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)CCNc1ncc(-c2nn[nH]n2)cc1F ZINC001574685651 948913913 /nfs/dbraw/zinc/91/39/13/948913913.db2.gz YLQBUKGEUJKONV-MNOVXSKESA-N 0 1 387.423 1.309 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001575235506 948919793 /nfs/dbraw/zinc/91/97/93/948919793.db2.gz NCJQWYUBSUMJNH-NHAGDIPZSA-N 0 1 380.374 1.598 20 0 GDADMN CC(C)c1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001574428082 948924128 /nfs/dbraw/zinc/92/41/28/948924128.db2.gz ZQBJECQIAWJOHZ-AOOOYVTPSA-N 0 1 385.457 1.031 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433165 948948034 /nfs/dbraw/zinc/94/80/34/948948034.db2.gz JSDWEEJHZBZLMC-MGCOHNPYSA-N 0 1 385.457 1.031 20 0 GDADMN CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001574089359 948952804 /nfs/dbraw/zinc/95/28/04/948952804.db2.gz JNHYZIYEUBMZHL-ACJLOTCBSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C(F)F ZINC001573772088 948953361 /nfs/dbraw/zinc/95/33/61/948953361.db2.gz QHIRSDDCVCBNKC-CHWSQXEVSA-N 0 1 391.426 1.814 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001573775247 949037310 /nfs/dbraw/zinc/03/73/10/949037310.db2.gz UVBOYDZUJPLSFE-UHFFFAOYSA-N 0 1 385.472 1.197 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573779288 949058682 /nfs/dbraw/zinc/05/86/82/949058682.db2.gz GJSBDXNSGDQSOF-LLVKDONJSA-N 0 1 379.415 1.886 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574694094 949069804 /nfs/dbraw/zinc/06/98/04/949069804.db2.gz KUERTFOXDIJFMA-SECBINFHSA-N 0 1 386.382 1.316 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574695181 949104346 /nfs/dbraw/zinc/10/43/46/949104346.db2.gz DPSTURHMORESTC-IUCAKERBSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574695181 949104356 /nfs/dbraw/zinc/10/43/56/949104356.db2.gz DPSTURHMORESTC-IUCAKERBSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)CCC[NH+](C)C ZINC001574695192 949104631 /nfs/dbraw/zinc/10/46/31/949104631.db2.gz DVIFEBJOASPPMY-SECBINFHSA-N 0 1 386.913 1.625 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)CCC[NH+](C)C ZINC001574695192 949104647 /nfs/dbraw/zinc/10/46/47/949104647.db2.gz DVIFEBJOASPPMY-SECBINFHSA-N 0 1 386.913 1.625 20 0 GDADMN CC(C)(C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573781218 949105107 /nfs/dbraw/zinc/10/51/07/949105107.db2.gz DTSSLICBIPFCCE-UHFFFAOYSA-N 0 1 384.366 1.330 20 0 GDADMN CC(C)c1ocnc1C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574447097 949148765 /nfs/dbraw/zinc/14/87/65/949148765.db2.gz FXYMMAPJKWHQHF-UHFFFAOYSA-N 0 1 381.440 1.840 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)Cc1cnc[nH]1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574698454 949192215 /nfs/dbraw/zinc/19/22/15/949192215.db2.gz LAKDMYJVTPWTCH-VXGBXAGGSA-N 0 1 386.435 1.867 20 0 GDADMN CC(C)c1ocnc1CNC1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574450258 949205628 /nfs/dbraw/zinc/20/56/28/949205628.db2.gz XSMNAOVNDIXQFY-UHFFFAOYSA-N 0 1 384.444 1.604 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574936636 949214432 /nfs/dbraw/zinc/21/44/32/949214432.db2.gz JRLUALZOWFMHIZ-LLVKDONJSA-N 0 1 387.394 1.377 20 0 GDADMN C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576151512 949227279 /nfs/dbraw/zinc/22/72/79/949227279.db2.gz GCRIOWRJWBYOCH-TUVASFSCSA-N 0 1 385.472 1.338 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCc2c(OC)cc(OC)cc2OC)C1 ZINC001589605847 949263994 /nfs/dbraw/zinc/26/39/94/949263994.db2.gz XKYXPVVTEJWGJN-FQEVSTJZSA-N 0 1 394.468 1.905 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703120 949307557 /nfs/dbraw/zinc/30/75/57/949307557.db2.gz RFKPIRYCBMFOKI-YJYMSZOUSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)n1ccc(C(=O)N(C)CCCN(C)c2ccncc2-c2nn[nH]n2)n1 ZINC001574457797 949331423 /nfs/dbraw/zinc/33/14/23/949331423.db2.gz OINJORQHDCPVKX-UHFFFAOYSA-N 0 1 383.460 1.638 20 0 GDADMN C[C@H](c1nc(-c2nc[nH]n2)no1)N1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575525029 949331533 /nfs/dbraw/zinc/33/15/33/949331533.db2.gz VQYKQPSWSJKELM-LLVKDONJSA-N 0 1 392.427 1.975 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575259935 949346041 /nfs/dbraw/zinc/34/60/41/949346041.db2.gz SPYGEEXKVLWCLO-BXKDBHETSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260141 949350516 /nfs/dbraw/zinc/35/05/16/949350516.db2.gz UZGPWDXFVATHHT-QWHCGFSZSA-N 0 1 384.444 1.072 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001576155308 949396641 /nfs/dbraw/zinc/39/66/41/949396641.db2.gz HWUNIMPMDLSWGS-TUVASFSCSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574945755 949419294 /nfs/dbraw/zinc/41/92/94/949419294.db2.gz NNNXULZCFBLJLD-JTQLQIEISA-N 0 1 384.469 1.177 20 0 GDADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589623510 949444033 /nfs/dbraw/zinc/44/40/33/949444033.db2.gz UKTVSQGJDRPDCL-AWEZNQCLSA-N 0 1 388.530 1.283 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)CC(F)F)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575265292 949447743 /nfs/dbraw/zinc/44/77/43/949447743.db2.gz TXTMSKAOBFBOOV-UWVGGRQHSA-N 0 1 382.419 1.455 20 0 GDADMN CC1(C(=O)N2CCC(CNc3ccncc3-c3nn[nH]n3)CC2)CCOCC1 ZINC001575535592 949450087 /nfs/dbraw/zinc/45/00/87/949450087.db2.gz YXEXINPGWXRURE-UHFFFAOYSA-N 0 1 385.472 1.151 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266027 949465427 /nfs/dbraw/zinc/46/54/27/949465427.db2.gz WTTRRHLPEJOXJJ-STQMWFEESA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266027 949465437 /nfs/dbraw/zinc/46/54/37/949465437.db2.gz WTTRRHLPEJOXJJ-STQMWFEESA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575266027 949465454 /nfs/dbraw/zinc/46/54/54/949465454.db2.gz WTTRRHLPEJOXJJ-STQMWFEESA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575266027 949465464 /nfs/dbraw/zinc/46/54/64/949465464.db2.gz WTTRRHLPEJOXJJ-STQMWFEESA-N 0 1 392.529 1.806 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001574468953 949472575 /nfs/dbraw/zinc/47/25/75/949472575.db2.gz WEILUZKXEVSKCC-HAQNSBGRSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001574468953 949472592 /nfs/dbraw/zinc/47/25/92/949472592.db2.gz WEILUZKXEVSKCC-HAQNSBGRSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574469481 949479683 /nfs/dbraw/zinc/47/96/83/949479683.db2.gz FIGUOBGCAQJTHF-TXEJJXNPSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574469481 949479701 /nfs/dbraw/zinc/47/97/01/949479701.db2.gz FIGUOBGCAQJTHF-TXEJJXNPSA-N 0 1 386.485 1.756 20 0 GDADMN C[C@H](NC(=O)CC(F)(F)F)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575266661 949484911 /nfs/dbraw/zinc/48/49/11/949484911.db2.gz DIHZFNIYIQUICK-VIFPVBQESA-N 0 1 386.353 1.895 20 0 GDADMN C[C@@H](CNC(=O)Cn1cc(Cl)cn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574949394 949496183 /nfs/dbraw/zinc/49/61/83/949496183.db2.gz VOMBRIVGOBRNEI-JTQLQIEISA-N 0 1 392.826 1.150 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268953 949534319 /nfs/dbraw/zinc/53/43/19/949534319.db2.gz PZHUBZHDRAMKDI-VXGBXAGGSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H]1CCCN(C(=O)C2=CCCC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163869 949540127 /nfs/dbraw/zinc/54/01/27/949540127.db2.gz DENMVOLCLXMJIF-ZFWWWQNUSA-N 0 1 382.472 1.618 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575269161 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KEMVCQURPAZLSS-UHFFFAOYSA-N 0 1 384.484 1.718 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874331 949610834 /nfs/dbraw/zinc/61/08/34/949610834.db2.gz FYAGVMKVCJVQFK-WFASDCNBSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575547287 949626232 /nfs/dbraw/zinc/62/62/32/949626232.db2.gz WVAZCXCGYVPFSL-UGSOOPFHSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCOC1 ZINC001575547287 949626243 /nfs/dbraw/zinc/62/62/43/949626243.db2.gz WVAZCXCGYVPFSL-UGSOOPFHSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574957745 949632487 /nfs/dbraw/zinc/63/24/87/949632487.db2.gz HHMZETOFUBUOKJ-MOWSHJCCSA-N 0 1 388.447 1.415 20 0 GDADMN CCC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001589638610 949641175 /nfs/dbraw/zinc/64/11/75/949641175.db2.gz ANALFYLTGHLQQH-MSOLQXFVSA-N 0 1 395.525 1.767 20 0 GDADMN CCC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001589638610 949641194 /nfs/dbraw/zinc/64/11/94/949641194.db2.gz ANALFYLTGHLQQH-MSOLQXFVSA-N 0 1 395.525 1.767 20 0 GDADMN C[C@@H](NC(=O)CC[C@H]1CCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575272321 949641634 /nfs/dbraw/zinc/64/16/34/949641634.db2.gz OWBITNMJVRUFJO-TZMCWYRMSA-N 0 1 390.513 1.824 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574131451 949662850 /nfs/dbraw/zinc/66/28/50/949662850.db2.gz GFMYUWXKTWHLAI-ZDUSSCGKSA-N 0 1 388.476 1.050 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C)(C)C(F)F ZINC001573815976 949667444 /nfs/dbraw/zinc/66/74/44/949667444.db2.gz NBZLGUBZTXLMRH-SECBINFHSA-N 0 1 382.419 1.313 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CN2CCCC2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575879279 949685528 /nfs/dbraw/zinc/68/55/28/949685528.db2.gz QAFPZZQYJIJEAW-UKRRQHHQSA-N 0 1 387.463 1.575 20 0 GDADMN C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574477960 949686955 /nfs/dbraw/zinc/68/69/55/949686955.db2.gz TWQDGLUDPOXKJC-AEGPPILISA-N 0 1 382.472 1.663 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573818009 949712600 /nfs/dbraw/zinc/71/26/00/949712600.db2.gz DTDGAKJVNLKYRL-HNAYVOBHSA-N 0 1 387.488 1.178 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(Cl)o1 ZINC001573818079 949716973 /nfs/dbraw/zinc/71/69/73/949716973.db2.gz FZRLZKJVRCKYOR-JTQLQIEISA-N 0 1 390.835 1.582 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1cnns1 ZINC001576170504 949718456 /nfs/dbraw/zinc/71/84/56/949718456.db2.gz LOHADJLHJKVXAH-QMTHXVAHSA-N 0 1 387.473 1.077 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCCO1 ZINC001573818214 949721555 /nfs/dbraw/zinc/72/15/55/949721555.db2.gz IIMDBKNVGWAFNT-CJNGLKHVSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1sccc1F ZINC001573818229 949725414 /nfs/dbraw/zinc/72/54/14/949725414.db2.gz IRKGVNACZMRFCZ-JTQLQIEISA-N 0 1 390.448 1.536 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+](C)C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574717308 949733866 /nfs/dbraw/zinc/73/38/66/949733866.db2.gz OYMLLJZOWVWYLV-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+](C)C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574717308 949733885 /nfs/dbraw/zinc/73/38/85/949733885.db2.gz OYMLLJZOWVWYLV-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717733 949744084 /nfs/dbraw/zinc/74/40/84/949744084.db2.gz WUXWCODXSCYATD-OLZOCXBDSA-N 0 1 388.501 1.713 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717733 949744100 /nfs/dbraw/zinc/74/41/00/949744100.db2.gz WUXWCODXSCYATD-OLZOCXBDSA-N 0 1 388.501 1.713 20 0 GDADMN CC(C)C[C@@H](C)CN1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139010 949805531 /nfs/dbraw/zinc/80/55/31/949805531.db2.gz HJMDEFQRMIEXAD-HIFRSBDPSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC2(C)CC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172863 949821021 /nfs/dbraw/zinc/82/10/21/949821021.db2.gz YSRAVRTZXBOMPN-UONOGXRCSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574966338 949846596 /nfs/dbraw/zinc/84/65/96/949846596.db2.gz XQUNBGBYDXMWKH-SNVBAGLBSA-N 0 1 388.501 1.857 20 0 GDADMN C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574966338 949846618 /nfs/dbraw/zinc/84/66/18/949846618.db2.gz XQUNBGBYDXMWKH-SNVBAGLBSA-N 0 1 388.501 1.857 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001574142373 949866862 /nfs/dbraw/zinc/86/68/62/949866862.db2.gz YGIAOEGKRFRSDP-OLMNPRSZSA-N 0 1 386.500 1.600 20 0 GDADMN C[C@]1(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC=CCC1 ZINC001575565253 949876633 /nfs/dbraw/zinc/87/66/33/949876633.db2.gz VBAADRMGPMIWSM-MHVYXZCWSA-N 0 1 382.472 1.664 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001574484500 949881430 /nfs/dbraw/zinc/88/14/30/949881430.db2.gz HWPHYJRJUREJMU-LSDHHAIUSA-N 0 1 380.456 1.539 20 0 GDADMN CC1(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001575566031 949894215 /nfs/dbraw/zinc/89/42/15/949894215.db2.gz ZSUINJPUQVYTKM-QGZVFWFLSA-N 0 1 384.484 1.764 20 0 GDADMN CC(C)(C)CC(=O)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573830399 949973994 /nfs/dbraw/zinc/97/39/94/949973994.db2.gz MAPKLTVSJLXPOM-IBGZPJMESA-N 0 1 384.488 1.912 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574728621 949993884 /nfs/dbraw/zinc/99/38/84/949993884.db2.gz FNZBEMVHSQHSLS-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181484 950005274 /nfs/dbraw/zinc/00/52/74/950005274.db2.gz IMDNRKWSYAOKJP-QWHCGFSZSA-N 0 1 388.451 1.257 20 0 GDADMN C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491580 950042292 /nfs/dbraw/zinc/04/22/92/950042292.db2.gz DSKZLWDWDOMLEO-VQCLRJIVSA-N 0 1 392.467 1.579 20 0 GDADMN O=C([O-])[C@H]1C[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)Cc2ccccc21 ZINC001595287782 950054992 /nfs/dbraw/zinc/05/49/92/950054992.db2.gz PAHRGJAKUDURJT-APWZRJJASA-N 0 1 396.443 1.995 20 0 GDADMN C[C@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183662 950095889 /nfs/dbraw/zinc/09/58/89/950095889.db2.gz RDCZXBWBZAGXRO-ZFWWWQNUSA-N 0 1 385.472 1.007 20 0 GDADMN C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183862 950104150 /nfs/dbraw/zinc/10/41/50/950104150.db2.gz RTCBIDAQLHKGRV-NEPJUHHUSA-N 0 1 379.415 1.625 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575894587 950106204 /nfs/dbraw/zinc/10/62/04/950106204.db2.gz FJRGXTIMFARJTF-GXSJLCMTSA-N 0 1 388.819 1.690 20 0 GDADMN C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184143 950120687 /nfs/dbraw/zinc/12/06/87/950120687.db2.gz UOOUMTDXEPKWMW-KBPBESRZSA-N 0 1 387.463 1.720 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N[C@@H]1CCc2c1c(F)ccc2F ZINC001574979144 950147824 /nfs/dbraw/zinc/14/78/24/950147824.db2.gz WUHZNFCGIPOJAC-LKFCYVNXSA-N 0 1 387.394 1.868 20 0 GDADMN C[C@@H]1CCN(C(=O)CCC2CCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184946 950147766 /nfs/dbraw/zinc/14/77/66/950147766.db2.gz YVYBOWVYZWFCPM-UKRRQHHQSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575584048 950163528 /nfs/dbraw/zinc/16/35/28/950163528.db2.gz ORQUSAZNNJAWGA-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575584048 950163538 /nfs/dbraw/zinc/16/35/38/950163538.db2.gz ORQUSAZNNJAWGA-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575584048 950163549 /nfs/dbraw/zinc/16/35/49/950163549.db2.gz ORQUSAZNNJAWGA-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575584048 950163559 /nfs/dbraw/zinc/16/35/59/950163559.db2.gz ORQUSAZNNJAWGA-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C12CCC(CC1)C2 ZINC001574154276 950169277 /nfs/dbraw/zinc/16/92/77/950169277.db2.gz CLTQINWNLHERSO-SHYRYGCCSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001574982572 950171236 /nfs/dbraw/zinc/17/12/36/950171236.db2.gz DPKXDUYWOVHBCZ-NSHDSACASA-N 0 1 383.460 1.182 20 0 GDADMN C[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191810 950212580 /nfs/dbraw/zinc/21/25/80/950212580.db2.gz ILSRDKSQBACAKD-ZFWWWQNUSA-N 0 1 378.440 1.289 20 0 GDADMN C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576192010 950219776 /nfs/dbraw/zinc/21/97/76/950219776.db2.gz JJEZXJCOCKBVMQ-QWHCGFSZSA-N 0 1 375.452 1.606 20 0 GDADMN C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576192010 950219788 /nfs/dbraw/zinc/21/97/88/950219788.db2.gz JJEZXJCOCKBVMQ-QWHCGFSZSA-N 0 1 375.452 1.606 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC2(CCC2)C1 ZINC001574156166 950226265 /nfs/dbraw/zinc/22/62/65/950226265.db2.gz XYHSERBKROCVLW-AWEZNQCLSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)C(F)(F)F ZINC001574498640 950281648 /nfs/dbraw/zinc/28/16/48/950281648.db2.gz OVVBAMZNCWBMFJ-SNVBAGLBSA-N 0 1 383.378 1.723 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904671 950281812 /nfs/dbraw/zinc/28/18/12/950281812.db2.gz ACHBILAGEABFLO-DOMZBBRYSA-N 0 1 383.481 1.645 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904671 950281832 /nfs/dbraw/zinc/28/18/32/950281832.db2.gz ACHBILAGEABFLO-DOMZBBRYSA-N 0 1 383.481 1.645 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905077 950288265 /nfs/dbraw/zinc/28/82/65/950288265.db2.gz BDMQTDSHBVQEFA-FZMZJTMJSA-N 0 1 386.485 1.363 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905077 950288289 /nfs/dbraw/zinc/28/82/89/950288289.db2.gz BDMQTDSHBVQEFA-FZMZJTMJSA-N 0 1 386.485 1.363 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907635 950343320 /nfs/dbraw/zinc/34/33/20/950343320.db2.gz PYWOLALUTUSICE-WFASDCNBSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907635 950343332 /nfs/dbraw/zinc/34/33/32/950343332.db2.gz PYWOLALUTUSICE-WFASDCNBSA-N 0 1 390.513 1.824 20 0 GDADMN CC1(C(=O)NCCN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC001575595301 950354161 /nfs/dbraw/zinc/35/41/61/950354161.db2.gz ZCGHYHFRWTWIEZ-UHFFFAOYSA-N 0 1 383.500 1.291 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263310628 950361634 /nfs/dbraw/zinc/36/16/34/950361634.db2.gz HXKLQUINABKYAD-KURKYZTESA-N 0 1 388.512 1.949 20 0 GDADMN COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000263331773 950375997 /nfs/dbraw/zinc/37/59/97/950375997.db2.gz LQUIUTCTLAERSZ-NSHDSACASA-N 0 1 385.848 1.588 20 0 GDADMN C[C@H](CC(=O)NCCCN(C)c1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574502701 950388865 /nfs/dbraw/zinc/38/88/65/950388865.db2.gz QKHVRCLEGQEOBP-CYBMUJFWSA-N 0 1 383.460 1.132 20 0 GDADMN CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589719041 950392891 /nfs/dbraw/zinc/39/28/91/950392891.db2.gz NLGYYCILXPLLSY-SFHVURJKSA-N 0 1 395.525 1.624 20 0 GDADMN CC(C)(C)OC(=O)NC1CCN(CCNc2cc(-c3nn[nH]n3)cnn2)CC1 ZINC001573860386 950420438 /nfs/dbraw/zinc/42/04/38/950420438.db2.gz IMNBUCMCKMIZKS-UHFFFAOYSA-N 0 1 389.464 1.058 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001576204102 950453846 /nfs/dbraw/zinc/45/38/46/950453846.db2.gz LPBVIRNIXXIWPZ-ZDUSSCGKSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001576204102 950453857 /nfs/dbraw/zinc/45/38/57/950453857.db2.gz LPBVIRNIXXIWPZ-ZDUSSCGKSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)c1cccc2n[nH]cc21 ZINC001575912543 950464851 /nfs/dbraw/zinc/46/48/51/950464851.db2.gz GZVSOEUBXPYPFS-IAQYHMDHSA-N 0 1 389.423 1.853 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001573862499 950466557 /nfs/dbraw/zinc/46/65/57/950466557.db2.gz UJDNFSYAGNPMPQ-GXSJLCMTSA-N 0 1 384.400 1.595 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1csc(-c3nn[nH]n3)c1)C2 ZINC001573863631 950484557 /nfs/dbraw/zinc/48/45/57/950484557.db2.gz NCRHXTRTXIWIPQ-SJCJKPOMSA-N 0 1 377.470 1.718 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1csc(-c3nnn[n-]3)c1)C2 ZINC001573863631 950484562 /nfs/dbraw/zinc/48/45/62/950484562.db2.gz NCRHXTRTXIWIPQ-SJCJKPOMSA-N 0 1 377.470 1.718 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1csc(-c3nnn[n-]3)c1)C2 ZINC001573863631 950484568 /nfs/dbraw/zinc/48/45/68/950484568.db2.gz NCRHXTRTXIWIPQ-SJCJKPOMSA-N 0 1 377.470 1.718 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1csc(-c3nn[n-]n3)c1)C2 ZINC001573863631 950484574 /nfs/dbraw/zinc/48/45/74/950484574.db2.gz NCRHXTRTXIWIPQ-SJCJKPOMSA-N 0 1 377.470 1.718 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1csc(-c3nn[n-]n3)c1)C2 ZINC001573863631 950484580 /nfs/dbraw/zinc/48/45/80/950484580.db2.gz NCRHXTRTXIWIPQ-SJCJKPOMSA-N 0 1 377.470 1.718 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574752560 950489569 /nfs/dbraw/zinc/48/95/69/950489569.db2.gz YBVCJYBEGWEAIH-LBPRGKRZSA-N 0 1 381.440 1.728 20 0 GDADMN CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573866452 950502375 /nfs/dbraw/zinc/50/23/75/950502375.db2.gz CLJXYSNMCXUNJL-ZDUSSCGKSA-N 0 1 388.476 1.077 20 0 GDADMN CC(C)(C)OCC(=O)N1CCCC[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001573866528 950503846 /nfs/dbraw/zinc/50/38/46/950503846.db2.gz GHMHXENMKIPDDO-CQSZACIVSA-N 0 1 387.488 1.682 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc(O)ccc1Cl ZINC001574753617 950531423 /nfs/dbraw/zinc/53/14/23/950531423.db2.gz FRRZVNHBUQZJLF-SNVBAGLBSA-N 0 1 389.847 1.804 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575614615 950541814 /nfs/dbraw/zinc/54/18/14/950541814.db2.gz KCPUQQWMLSGESS-NHAYFPRASA-N 0 1 382.468 1.515 20 0 GDADMN C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575614616 950542861 /nfs/dbraw/zinc/54/28/61/950542861.db2.gz KCPUQQWMLSGESS-YLAKUSLOSA-N 0 1 382.468 1.515 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576206016 950554545 /nfs/dbraw/zinc/55/45/45/950554545.db2.gz SQFJEKROPKRZJS-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576206016 950554559 /nfs/dbraw/zinc/55/45/59/950554559.db2.gz SQFJEKROPKRZJS-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NCC2CC(Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205978 950555926 /nfs/dbraw/zinc/55/59/26/950555926.db2.gz SHABQDCJQTZFLI-IYXRBSQSSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2CC(Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205978 950555941 /nfs/dbraw/zinc/55/59/41/950555941.db2.gz SHABQDCJQTZFLI-IYXRBSQSSA-N 0 1 387.463 1.654 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574754131 950564517 /nfs/dbraw/zinc/56/45/17/950564517.db2.gz YEPJCZPXHSUWSI-LBPRGKRZSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575918163 950585717 /nfs/dbraw/zinc/58/57/17/950585717.db2.gz AUHXRPVEKIMXIV-PWSUYJOCSA-N 0 1 392.414 1.305 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)c[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575000667 950611009 /nfs/dbraw/zinc/61/10/09/950611009.db2.gz RLPMBFVFMMVSGZ-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573872091 950631837 /nfs/dbraw/zinc/63/18/37/950631837.db2.gz YXDZQJWDMOCUSE-OAHLLOKOSA-N 0 1 390.463 1.902 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575622298 950634825 /nfs/dbraw/zinc/63/48/25/950634825.db2.gz BXDKGXBALXXMJA-HAQNSBGRSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@H]1CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[nH]n2)C[C@@H]1O ZINC001576213789 950645771 /nfs/dbraw/zinc/64/57/71/950645771.db2.gz IFFWDAXPUJXMFS-KOLCDFICSA-N 0 1 379.467 1.473 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573876310 950667135 /nfs/dbraw/zinc/66/71/35/950667135.db2.gz KJEGHZQDEJXRTA-LXTVHRRPSA-N 0 1 396.499 1.909 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1ccccc1 ZINC001575924520 950675552 /nfs/dbraw/zinc/67/55/52/950675552.db2.gz FMLWUSBVTSWNKE-CZUORRHYSA-N 0 1 379.424 1.164 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760801 950679895 /nfs/dbraw/zinc/67/98/95/950679895.db2.gz LGAPFQHBWMJJBJ-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574760801 950679912 /nfs/dbraw/zinc/67/99/12/950679912.db2.gz LGAPFQHBWMJJBJ-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001589745159 950682013 /nfs/dbraw/zinc/68/20/13/950682013.db2.gz ZDJODIJSVQPPEF-PBHICJAKSA-N 0 1 375.425 1.435 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CN(C)c1ccccc1 ZINC001575925573 950687190 /nfs/dbraw/zinc/68/71/90/950687190.db2.gz HPYDRKSEJJXVKW-PBHICJAKSA-N 0 1 392.467 1.221 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cscc1Cl ZINC001575925877 950696153 /nfs/dbraw/zinc/69/61/53/950696153.db2.gz VTUWICCFEQLRDQ-KCJUWKMLSA-N 0 1 390.860 1.509 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001575629020 950727327 /nfs/dbraw/zinc/72/73/27/950727327.db2.gz IRNPEXZTKOPZOX-KGLIPLIRSA-N 0 1 390.513 1.416 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001575629022 950728054 /nfs/dbraw/zinc/72/80/54/950728054.db2.gz IRNPEXZTKOPZOX-ZIAGYGMSSA-N 0 1 390.513 1.416 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216584 950737761 /nfs/dbraw/zinc/73/77/61/950737761.db2.gz DMDUSVMYNCZXMQ-ZFWWWQNUSA-N 0 1 392.467 1.315 20 0 GDADMN CC(C)(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001573881348 950750392 /nfs/dbraw/zinc/75/03/92/950750392.db2.gz DDJPYZORGPYIHS-OAHLLOKOSA-N 0 1 392.467 1.963 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764933 950764563 /nfs/dbraw/zinc/76/45/63/950764563.db2.gz ADZQQDIPNWRVDF-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001573882114 950768302 /nfs/dbraw/zinc/76/83/02/950768302.db2.gz SNLACIWALOHEJV-OKILXGFUSA-N 0 1 392.467 1.749 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C)cn1 ZINC001575927988 950769889 /nfs/dbraw/zinc/76/98/89/950769889.db2.gz XARJDHXQQHQMKA-WFASDCNBSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1ccncc1-c1nn[nH]n1 ZINC001574765139 950776085 /nfs/dbraw/zinc/77/60/85/950776085.db2.gz FZQWLVCWTVTYOU-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)co1 ZINC001573884563 950794872 /nfs/dbraw/zinc/79/48/72/950794872.db2.gz NJYJPWAVIVWRQE-LLVKDONJSA-N 0 1 382.428 1.296 20 0 GDADMN CC1(C)CC(CC(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575633287 950811759 /nfs/dbraw/zinc/81/17/59/950811759.db2.gz RGYKAHGVDVJTPS-AWEZNQCLSA-N 0 1 384.488 1.698 20 0 GDADMN CCOC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001590137138 950819653 /nfs/dbraw/zinc/81/96/53/950819653.db2.gz DIFWWUCJQSMMSP-FZTQNYJHSA-N 0 1 375.421 1.877 20 0 GDADMN CCOC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001590137138 950819678 /nfs/dbraw/zinc/81/96/78/950819678.db2.gz DIFWWUCJQSMMSP-FZTQNYJHSA-N 0 1 375.421 1.877 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cnco1 ZINC001575932208 950820905 /nfs/dbraw/zinc/82/09/05/950820905.db2.gz KNHSWHIZLSWEIS-BQBZGAKWSA-N 0 1 380.821 1.680 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575633753 950822592 /nfs/dbraw/zinc/82/25/92/950822592.db2.gz VUOQHOBORLGJOC-OAHLLOKOSA-N 0 1 390.463 1.399 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cnco1 ZINC001575932211 950824891 /nfs/dbraw/zinc/82/48/91/950824891.db2.gz KNHSWHIZLSWEIS-RQJHMYQMSA-N 0 1 380.821 1.680 20 0 GDADMN C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574767328 950845527 /nfs/dbraw/zinc/84/55/27/950845527.db2.gz QKIUQRNYECBSOT-NSHDSACASA-N 0 1 382.428 1.197 20 0 GDADMN CC(C)(CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573893825 950904555 /nfs/dbraw/zinc/90/45/55/950904555.db2.gz YIDVQWYLTOEHRN-SNVBAGLBSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576227294 950907916 /nfs/dbraw/zinc/90/79/16/950907916.db2.gz FOCXUHMAKAMYSM-OLZOCXBDSA-N 0 1 382.472 1.165 20 0 GDADMN CC(C)CCCC(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574190368 950911156 /nfs/dbraw/zinc/91/11/56/950911156.db2.gz XJKMNTNCWSXWOY-SECBINFHSA-N 0 1 387.897 1.692 20 0 GDADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576227898 950923617 /nfs/dbraw/zinc/92/36/17/950923617.db2.gz FJLQGYZTIGXLRS-HIFRSBDPSA-N 0 1 384.488 1.395 20 0 GDADMN CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573899824 950987573 /nfs/dbraw/zinc/98/75/73/950987573.db2.gz KOZRYFNEPKJJSE-SECBINFHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575022159 951070774 /nfs/dbraw/zinc/07/07/74/951070774.db2.gz IBGJAFYGLRXIJS-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001591279807 951123283 /nfs/dbraw/zinc/12/32/83/951123283.db2.gz MISIAEHWJNBWSY-YWZLYKJASA-N 0 1 385.420 1.582 20 0 GDADMN C[C@@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)[C@H]1C(=O)[O-] ZINC000333617206 951131013 /nfs/dbraw/zinc/13/10/13/951131013.db2.gz SXBOAVFALMLMCB-VQIMIIECSA-N 0 1 393.528 1.813 20 0 GDADMN C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)[C@H]1C(=O)[O-] ZINC000333617206 951131021 /nfs/dbraw/zinc/13/10/21/951131021.db2.gz SXBOAVFALMLMCB-VQIMIIECSA-N 0 1 393.528 1.813 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001575036531 951299141 /nfs/dbraw/zinc/29/91/41/951299141.db2.gz UJTXOWZQCXRZEJ-LBPRGKRZSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@H](CNC(=O)c1cnc2cc[nH]c2c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575043942 951406415 /nfs/dbraw/zinc/40/64/15/951406415.db2.gz NCIRWEQIIOOCKW-NSHDSACASA-N 0 1 377.412 1.038 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054112 951485927 /nfs/dbraw/zinc/48/59/27/951485927.db2.gz VTRPAHUCJFERFN-MRVPVSSYSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C)c1Cl)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575054112 951485933 /nfs/dbraw/zinc/48/59/33/951485933.db2.gz VTRPAHUCJFERFN-MRVPVSSYSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(CCF)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575055350 951503236 /nfs/dbraw/zinc/50/32/36/951503236.db2.gz RFSSSJJCTUOTMY-NSHDSACASA-N 0 1 390.398 1.080 20 0 GDADMN C[C@@H](CNC(=O)c1conc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575057844 951532991 /nfs/dbraw/zinc/53/29/91/951532991.db2.gz RODFCKAJWUCMGG-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNC(=O)c1conc1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575058923 951537990 /nfs/dbraw/zinc/53/79/90/951537990.db2.gz WOJHLFCHDHGQQQ-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@@H](CNC(=O)c1nccs1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575066539 951598052 /nfs/dbraw/zinc/59/80/52/951598052.db2.gz GHOLWRUIYBTTGT-LURJTMIESA-N 0 1 384.878 1.688 20 0 GDADMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000398779949 951610090 /nfs/dbraw/zinc/61/00/90/951610090.db2.gz JQRJXUMEKJUVQD-WDEREUQCSA-N 0 1 380.242 2.000 20 0 GDADMN C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575067525 951613265 /nfs/dbraw/zinc/61/32/65/951613265.db2.gz UULOUPFUJCXCIE-NSHDSACASA-N 0 1 382.428 1.028 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)C1=O ZINC001595074830 951640151 /nfs/dbraw/zinc/64/01/51/951640151.db2.gz YBAJXIRJEAGYHT-YOEHRIQHSA-N 0 1 397.269 1.418 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)C1=O ZINC001595074830 951640157 /nfs/dbraw/zinc/64/01/57/951640157.db2.gz YBAJXIRJEAGYHT-YOEHRIQHSA-N 0 1 397.269 1.418 20 0 GDADMN C[C@H](CNCc1cc(O)ccc1Cl)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080013 951703481 /nfs/dbraw/zinc/70/34/81/951703481.db2.gz IWUOZVNQVFRKGG-SNVBAGLBSA-N 0 1 389.847 1.804 20 0 GDADMN C[C@H](CNCc1c(F)cccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575082462 951734314 /nfs/dbraw/zinc/73/43/14/951734314.db2.gz ZHPHBQKFMOILCD-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1OCCCO1 ZINC001575091716 951781855 /nfs/dbraw/zinc/78/18/55/951781855.db2.gz WRYVEXSCMSGQNF-LBPRGKRZSA-N 0 1 392.435 1.095 20 0 GDADMN C[C@@H](CNC(=O)COc1cccnc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098727 951826255 /nfs/dbraw/zinc/82/62/55/951826255.db2.gz FQYCWURAQKXRDM-GFCCVEGCSA-N 0 1 387.469 1.244 20 0 GDADMN C[C@@H](CNC(=O)COc1cccnc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098727 951826259 /nfs/dbraw/zinc/82/62/59/951826259.db2.gz FQYCWURAQKXRDM-GFCCVEGCSA-N 0 1 387.469 1.244 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575099173 951829940 /nfs/dbraw/zinc/82/99/40/951829940.db2.gz IJBLNIKATNLULC-CHWSQXEVSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575099173 951829946 /nfs/dbraw/zinc/82/99/46/951829946.db2.gz IJBLNIKATNLULC-CHWSQXEVSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1nccs1 ZINC001575099058 951831113 /nfs/dbraw/zinc/83/11/13/951831113.db2.gz HYRAOSGOYHOQGC-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1nccs1 ZINC001575099058 951831119 /nfs/dbraw/zinc/83/11/19/951831119.db2.gz HYRAOSGOYHOQGC-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1cnsn1)C1CC1 ZINC001575099549 951837558 /nfs/dbraw/zinc/83/75/58/951837558.db2.gz MZGJCOSQKDBHRX-OAHLLOKOSA-N 0 1 390.498 1.468 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)c1cnsn1)C1CC1 ZINC001575099549 951837564 /nfs/dbraw/zinc/83/75/64/951837564.db2.gz MZGJCOSQKDBHRX-OAHLLOKOSA-N 0 1 390.498 1.468 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)c1cccnc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100802 951846937 /nfs/dbraw/zinc/84/69/37/951846937.db2.gz VGZFBRNMSCUKJK-STQMWFEESA-N 0 1 385.497 1.969 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)c1cccnc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100802 951846949 /nfs/dbraw/zinc/84/69/49/951846949.db2.gz VGZFBRNMSCUKJK-STQMWFEESA-N 0 1 385.497 1.969 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cnccn1 ZINC001575100812 951847529 /nfs/dbraw/zinc/84/75/29/951847529.db2.gz VLQQCNBIOACOIB-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cnccn1 ZINC001575100812 951847539 /nfs/dbraw/zinc/84/75/39/951847539.db2.gz VLQQCNBIOACOIB-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100907 951849359 /nfs/dbraw/zinc/84/93/59/951849359.db2.gz WNWJZAKGCSAUAB-SNVBAGLBSA-N 0 1 377.499 1.469 20 0 GDADMN C[C@@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100907 951849369 /nfs/dbraw/zinc/84/93/69/951849369.db2.gz WNWJZAKGCSAUAB-SNVBAGLBSA-N 0 1 377.499 1.469 20 0 GDADMN C[C@H](CNCc1ncc(Cl)s1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117797 951981607 /nfs/dbraw/zinc/98/16/07/951981607.db2.gz PVZGXNILNZXHNM-MRVPVSSYSA-N 0 1 380.865 1.460 20 0 GDADMN CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001602892938 971806033 /nfs/dbraw/zinc/80/60/33/971806033.db2.gz LQTPJQOXWGQQPC-UHFFFAOYSA-N 0 1 392.456 1.452 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(Cl)ccc1F ZINC001575144237 952164633 /nfs/dbraw/zinc/16/46/33/952164633.db2.gz HAHZUHFBBJIDRW-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCc2cccnc21 ZINC001575144732 952171111 /nfs/dbraw/zinc/17/11/11/952171111.db2.gz KVCCMNQCQUYASQ-UKRRQHHQSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575145052 952176857 /nfs/dbraw/zinc/17/68/57/952176857.db2.gz OSFRGTYICCTSQU-YJYMSZOUSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575145207 952180285 /nfs/dbraw/zinc/18/02/85/952180285.db2.gz SOLYYLQVDXMSLQ-GXTWGEPZSA-N 0 1 378.440 1.067 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575145798 952188864 /nfs/dbraw/zinc/18/88/64/952188864.db2.gz CRNJBCKHLGVHKO-GFCCVEGCSA-N 0 1 379.424 1.191 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575146000 952190405 /nfs/dbraw/zinc/19/04/05/952190405.db2.gz FMTCWKVKNVXEGF-ABAIWWIYSA-N 0 1 381.415 1.421 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575146666 952196747 /nfs/dbraw/zinc/19/67/47/952196747.db2.gz NETRHYPEYBKFEW-LLVKDONJSA-N 0 1 383.460 1.277 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ncccn1 ZINC001575165104 952304241 /nfs/dbraw/zinc/30/42/41/952304241.db2.gz LEDQIVFSSAOBDT-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575180100 952415270 /nfs/dbraw/zinc/41/52/70/952415270.db2.gz RPFLCEGCXLLTLZ-VIFPVBQESA-N 0 1 384.897 1.331 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575195864 952472607 /nfs/dbraw/zinc/47/26/07/952472607.db2.gz CGKKJDFQUDIVJQ-XIKOKIGWSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575197038 952479203 /nfs/dbraw/zinc/47/92/03/952479203.db2.gz MCSOSOPGEPTKRV-STQMWFEESA-N 0 1 382.428 1.071 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001575197289 952481897 /nfs/dbraw/zinc/48/18/97/952481897.db2.gz RZNQVPBPPGLTOF-BZPMIXESSA-N 0 1 382.428 1.212 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200406 952495317 /nfs/dbraw/zinc/49/53/17/952495317.db2.gz JAGJELMUUHVBCK-YRGRVCCFSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571120954 952511285 /nfs/dbraw/zinc/51/12/85/952511285.db2.gz VHITZFUPDGIXAC-GZMMTYOYSA-N 0 1 376.421 1.041 20 0 GDADMN C[C@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571120954 952511288 /nfs/dbraw/zinc/51/12/88/952511288.db2.gz VHITZFUPDGIXAC-GZMMTYOYSA-N 0 1 376.421 1.041 20 0 GDADMN CS[C@@H](C)C(=O)N1CCC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571120985 952513609 /nfs/dbraw/zinc/51/36/09/952513609.db2.gz TYFRMNGPPNNTOF-QWHCGFSZSA-N 0 1 375.502 1.688 20 0 GDADMN C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571124797 952545484 /nfs/dbraw/zinc/54/54/84/952545484.db2.gz UWNIQWKLYAGWGN-JQWIXIFHSA-N 0 1 377.399 1.235 20 0 GDADMN C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571124796 952545559 /nfs/dbraw/zinc/54/55/59/952545559.db2.gz UWNIQWKLYAGWGN-CMPLNLGQSA-N 0 1 377.399 1.235 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575213641 952559388 /nfs/dbraw/zinc/55/93/88/952559388.db2.gz DITUKCPRMOSIRF-JTQLQIEISA-N 0 1 380.403 1.163 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571134811 952595374 /nfs/dbraw/zinc/59/53/74/952595374.db2.gz NFWNEBGTRIPQQK-AWEZNQCLSA-N 0 1 378.440 1.351 20 0 GDADMN CC[C@H]1CN(C(=O)c2ccccc2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571134957 952597469 /nfs/dbraw/zinc/59/74/69/952597469.db2.gz NXXMHJBSYLDXKI-ZFWWWQNUSA-N 0 1 378.440 1.431 20 0 GDADMN Cc1cnc(C(=O)N(C)[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571135209 952600342 /nfs/dbraw/zinc/60/03/42/952600342.db2.gz TUTUKDNZYKALMT-INIZCTEOSA-N 0 1 378.440 1.312 20 0 GDADMN Cc1cc(C)cc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571135167 952600776 /nfs/dbraw/zinc/60/07/76/952600776.db2.gz QLZMRPDOULGRHW-CQSZACIVSA-N 0 1 378.440 1.530 20 0 GDADMN CC(C)c1ncc(CNS(=O)(=O)Cc2ccc(F)cc2-c2nn[nH]n2)[nH]1 ZINC001571140445 952625423 /nfs/dbraw/zinc/62/54/23/952625423.db2.gz CRWVKLONYSGQLS-UHFFFAOYSA-N 0 1 379.421 1.472 20 0 GDADMN Cc1ncccc1CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001571141019 952630219 /nfs/dbraw/zinc/63/02/19/952630219.db2.gz FQIBOOPSDCUEOE-RHSMWYFYSA-N 0 1 378.440 1.245 20 0 GDADMN CC[C@H](OC)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141996 952637945 /nfs/dbraw/zinc/63/79/45/952637945.db2.gz MWIHJNKOTDVIPZ-JSGCOSHPSA-N 0 1 378.502 1.681 20 0 GDADMN CC[C@H](OC)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141996 952637947 /nfs/dbraw/zinc/63/79/47/952637947.db2.gz MWIHJNKOTDVIPZ-JSGCOSHPSA-N 0 1 378.502 1.681 20 0 GDADMN O=C(NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cc1C1CC1 ZINC001571146312 952649397 /nfs/dbraw/zinc/64/93/97/952649397.db2.gz FYBBOFNJJWYZBT-LLVKDONJSA-N 0 1 379.428 1.119 20 0 GDADMN O=S(=O)(c1ccc(-c2nn[nH]n2)o1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001571150889 952671459 /nfs/dbraw/zinc/67/14/59/952671459.db2.gz ICQADCYGYNRKBH-NEPJUHHUSA-N 0 1 379.442 1.430 20 0 GDADMN O=C(N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571152891 952683827 /nfs/dbraw/zinc/68/38/27/952683827.db2.gz KJJPNNXDRPPNET-IMSYWVGJSA-N 0 1 379.877 1.718 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccoc1C1CC1 ZINC001571155113 952692689 /nfs/dbraw/zinc/69/26/89/952692689.db2.gz ICBGQSWJSDCPQR-PWSUYJOCSA-N 0 1 380.412 1.264 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc(C)n1 ZINC001571156739 952705061 /nfs/dbraw/zinc/70/50/61/952705061.db2.gz IKJLZAYUZUVZGS-AWEZNQCLSA-N 0 1 379.428 1.019 20 0 GDADMN COc1ccccc1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571159497 952719480 /nfs/dbraw/zinc/71/94/80/952719480.db2.gz WIODAGQOBDXZQX-UHFFFAOYSA-N 0 1 380.412 1.018 20 0 GDADMN Cc1occc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571161022 952729181 /nfs/dbraw/zinc/72/91/81/952729181.db2.gz OTZOOVWCYIGAOE-STQMWFEESA-N 0 1 380.412 1.133 20 0 GDADMN O=C(c1cnoc1C1CC1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571161876 952735047 /nfs/dbraw/zinc/73/50/47/952735047.db2.gz DAIRVFKOVVBWJA-GFCCVEGCSA-N 0 1 380.412 1.266 20 0 GDADMN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001571165346 952749948 /nfs/dbraw/zinc/74/99/48/952749948.db2.gz BVKSZBPWEVQJKG-HZPDHXFCSA-N 0 1 380.456 1.028 20 0 GDADMN CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571165346 952749952 /nfs/dbraw/zinc/74/99/52/952749952.db2.gz BVKSZBPWEVQJKG-HZPDHXFCSA-N 0 1 380.456 1.028 20 0 GDADMN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571165346 952749953 /nfs/dbraw/zinc/74/99/53/952749953.db2.gz BVKSZBPWEVQJKG-HZPDHXFCSA-N 0 1 380.456 1.028 20 0 GDADMN CC1(C)CN(c2ccncc2-c2nn[nH]n2)CC[C@@H]1NC(=O)Cc1ccc[nH]1 ZINC001571166345 952760595 /nfs/dbraw/zinc/76/05/95/952760595.db2.gz LSNQSPCMFKYVGI-INIZCTEOSA-N 0 1 380.456 1.554 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571166338 952760746 /nfs/dbraw/zinc/76/07/46/952760746.db2.gz LQBGKNXKEGOCFV-OAHLLOKOSA-N 0 1 380.456 1.648 20 0 GDADMN O=C(C1=CCCC1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571171719 952796405 /nfs/dbraw/zinc/79/64/05/952796405.db2.gz DZJUOLUMBVWKQV-GJZGRUSLSA-N 0 1 380.456 1.584 20 0 GDADMN O=C(c1cocn1)N1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571172368 952806635 /nfs/dbraw/zinc/80/66/35/952806635.db2.gz UECOBOCIEORKQM-UHFFFAOYSA-N 0 1 380.821 1.317 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)CCc2ccco2)CC1 ZINC001571183077 952872918 /nfs/dbraw/zinc/87/29/18/952872918.db2.gz NTLOEFTZILNTND-UHFFFAOYSA-N 0 1 381.440 1.702 20 0 GDADMN CCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)ccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001571183491 952878829 /nfs/dbraw/zinc/87/88/29/952878829.db2.gz BUDHCAHDWRKOCS-MEBBXXQBSA-N 0 1 381.444 1.428 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@H](C)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571185272 952901439 /nfs/dbraw/zinc/90/14/39/952901439.db2.gz KGGLCPYVJHKSMO-YPMHNXCESA-N 0 1 381.444 1.328 20 0 GDADMN Cc1cc(C(=O)N2CCC([C@@H](C)Nc3ncccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC001571186347 952906561 /nfs/dbraw/zinc/90/65/61/952906561.db2.gz XGQWPJMUBCVIGD-GFCCVEGCSA-N 0 1 381.444 1.646 20 0 GDADMN Cc1cc(N2CCC(N(C)C(=O)c3ccnn3C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187645 952909522 /nfs/dbraw/zinc/90/95/22/952909522.db2.gz AHVJSYOLLLQJBM-UHFFFAOYSA-N 0 1 381.444 1.045 20 0 GDADMN Cc1cc(C)c(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)[nH]1 ZINC001571188907 952921570 /nfs/dbraw/zinc/92/15/70/952921570.db2.gz PEVMJCKRWPMCHL-ZDUSSCGKSA-N 0 1 381.444 1.343 20 0 GDADMN CN(C[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1)c1ccncc1-c1nn[nH]n1 ZINC001571189957 952937901 /nfs/dbraw/zinc/93/79/01/952937901.db2.gz APHRRWBSQYEWSG-BSXFFOKHSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)(F)F ZINC001571194249 952959382 /nfs/dbraw/zinc/95/93/82/952959382.db2.gz KMDGAZYCMPMLKT-GWCFXTLKSA-N 0 1 382.390 1.988 20 0 GDADMN CN(C[C@H]1CCN(C(=O)c2cncc(F)c2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571195540 952976071 /nfs/dbraw/zinc/97/60/71/952976071.db2.gz BFLVZUDFPJDLGB-GFCCVEGCSA-N 0 1 382.403 1.394 20 0 GDADMN C[C@]1(NC(=O)c2ccc(CF)cc2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571195455 952976935 /nfs/dbraw/zinc/97/69/35/952976935.db2.gz AEOIXQPSDDBBSG-SFHVURJKSA-N 0 1 382.403 1.525 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571199717 953004184 /nfs/dbraw/zinc/00/41/84/953004184.db2.gz AAXVYKQRRHMUCP-LRDDRELGSA-N 0 1 382.428 1.415 20 0 GDADMN COc1ccc(CN2CC[C@H](NC(=O)c3ccco3)[C@H]2C)cc1-c1nn[nH]n1 ZINC001571199986 953006406 /nfs/dbraw/zinc/00/64/06/953006406.db2.gz GEUXZDVTRGBYKF-DOMZBBRYSA-N 0 1 382.424 1.861 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C(C)(C)C2)no1 ZINC001571200157 953007490 /nfs/dbraw/zinc/00/74/90/953007490.db2.gz BCVXZSCBDRFEPG-OAHLLOKOSA-N 0 1 382.428 1.251 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)oc1C ZINC001571200546 953009407 /nfs/dbraw/zinc/00/94/07/953009407.db2.gz DIMWOCYDUMPBHD-ZDUSSCGKSA-N 0 1 382.428 1.253 20 0 GDADMN Cc1ccc(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571201055 953013625 /nfs/dbraw/zinc/01/36/25/953013625.db2.gz IZIANDBVUQIIAG-CYBMUJFWSA-N 0 1 382.428 1.477 20 0 GDADMN Cc1nc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)co1 ZINC001571201330 953015925 /nfs/dbraw/zinc/01/59/25/953015925.db2.gz KCKLZHMGHYECMN-YPMHNXCESA-N 0 1 382.428 1.394 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccc(F)c1 ZINC001571201167 953016383 /nfs/dbraw/zinc/01/63/83/953016383.db2.gz ORIYFMADEZPRAW-CQSZACIVSA-N 0 1 382.403 1.585 20 0 GDADMN Cc1conc1CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21 ZINC001571201675 953019596 /nfs/dbraw/zinc/01/95/96/953019596.db2.gz MVIQDQGDIXJCSU-MLGOLLRUSA-N 0 1 382.428 1.228 20 0 GDADMN CC1(C)CN(c2ccncc2-c2nn[nH]n2)CC[C@@H]1NC(=O)Cc1cnoc1 ZINC001571202397 953023965 /nfs/dbraw/zinc/02/39/65/953023965.db2.gz WBTHFZWPCJSNNE-HNNXBMFYSA-N 0 1 382.428 1.214 20 0 GDADMN Cc1conc1C(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571202626 953027528 /nfs/dbraw/zinc/02/75/28/953027528.db2.gz WONHITQOEAPIIS-ZDUSSCGKSA-N 0 1 382.428 1.608 20 0 GDADMN Cc1nocc1CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571205742 953041171 /nfs/dbraw/zinc/04/11/71/953041171.db2.gz LHRCQVJLTMEXAD-CVEARBPZSA-N 0 1 382.428 1.370 20 0 GDADMN Cc1nocc1CN1CC[C@@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001571207061 953059262 /nfs/dbraw/zinc/05/92/62/953059262.db2.gz VMXMIVZQXMCIAI-QAPCUYQASA-N 0 1 382.428 1.418 20 0 GDADMN O=C(c1cccs1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571210346 953071466 /nfs/dbraw/zinc/07/14/66/953071466.db2.gz PIINMQDQSRJKCL-NEPJUHHUSA-N 0 1 382.453 1.602 20 0 GDADMN O=C(c1cccs1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571210436 953072261 /nfs/dbraw/zinc/07/22/61/953072261.db2.gz RQSAUEJBSVNORP-NWDGAFQWSA-N 0 1 382.453 1.459 20 0 GDADMN O=C(C[C@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571210895 953074875 /nfs/dbraw/zinc/07/48/75/953074875.db2.gz ZPVXZXOPAIHVMV-NXHRZFHOSA-N 0 1 382.468 1.469 20 0 GDADMN C[C@H](CC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C1CC1 ZINC001571213226 953093304 /nfs/dbraw/zinc/09/33/04/953093304.db2.gz PVJQPGBVTOJLTD-YJYMSZOUSA-N 0 1 382.472 1.522 20 0 GDADMN Cc1nc(NC[C@@H]2CCCC[C@@H]2NC(=O)c2ncn[nH]2)ccc1-c1nn[nH]n1 ZINC001571214140 953099525 /nfs/dbraw/zinc/09/95/25/953099525.db2.gz YNYGFYXHBTVRKS-AAEUAGOBSA-N 0 1 382.432 1.089 20 0 GDADMN Cc1nc(NC[C@@H]2CCCC[C@@H]2NC(=O)c2nc[nH]n2)ccc1-c1nn[nH]n1 ZINC001571214140 953099529 /nfs/dbraw/zinc/09/95/29/953099529.db2.gz YNYGFYXHBTVRKS-AAEUAGOBSA-N 0 1 382.432 1.089 20 0 GDADMN O=C(c1cscn1)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571217658 953110154 /nfs/dbraw/zinc/11/01/54/953110154.db2.gz HBYGXZZAUNJFON-LURJTMIESA-N 0 1 382.862 1.760 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C1CCCCCCC1 ZINC001571219081 953122088 /nfs/dbraw/zinc/12/20/88/953122088.db2.gz UUZSKJNIXCHGNX-FOLVSLTJSA-N 0 1 382.472 1.568 20 0 GDADMN CNc1ccc(-c2nn[nH]n2)cc1NC(=O)Cc1n[nH]c(C2CCOCC2)n1 ZINC001571222710 953137792 /nfs/dbraw/zinc/13/77/92/953137792.db2.gz JSKNCGUTXSALMW-UHFFFAOYSA-N 0 1 383.416 1.102 20 0 GDADMN Cc1cc(C(=O)N[C@H](C)C2CN(Cc3ccc(-c4nn[nH]n4)s3)C2)ccn1 ZINC001571234018 953198619 /nfs/dbraw/zinc/19/86/19/953198619.db2.gz KTGCPSSGWYIHDR-GFCCVEGCSA-N 0 1 383.481 1.882 20 0 GDADMN CC(C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571234205 953199545 /nfs/dbraw/zinc/19/95/45/953199545.db2.gz PNRQNWVASKWVMN-QGZVFWFLSA-N 0 1 383.500 1.241 20 0 GDADMN O=C(C[C@@H]1CCOC1)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234923 953206664 /nfs/dbraw/zinc/20/66/64/953206664.db2.gz NCPXXVMXZWSVAL-IUCAKERBSA-N 0 1 383.865 1.416 20 0 GDADMN CCn1cnc(C(=O)N2CC[C@@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)c1 ZINC001571239378 953238569 /nfs/dbraw/zinc/23/85/69/953238569.db2.gz JUTTWXKFDPZQLJ-CQSZACIVSA-N 0 1 384.419 1.227 20 0 GDADMN CCc1noc(C)c1CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571242489 953256922 /nfs/dbraw/zinc/25/69/22/953256922.db2.gz HRSLSFRQKYVMPV-PWSUYJOCSA-N 0 1 384.444 1.446 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)sc1C ZINC001571245109 953270827 /nfs/dbraw/zinc/27/08/27/953270827.db2.gz NTTRQDWYOUJWMG-LBPRGKRZSA-N 0 1 384.469 1.474 20 0 GDADMN O=C(N[C@@H]1CC12CCN(Cc1ccns1)CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247868 953286989 /nfs/dbraw/zinc/28/69/89/953286989.db2.gz GTZYMNFTRCLSKO-CQSZACIVSA-N 0 1 384.469 1.436 20 0 GDADMN O=C(Cc1ccsc1)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571248333 953292168 /nfs/dbraw/zinc/29/21/68/953292168.db2.gz QQOMEYLBOCBQGZ-GFCCVEGCSA-N 0 1 384.469 1.033 20 0 GDADMN CC1(C)C(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001571249159 953301228 /nfs/dbraw/zinc/30/12/28/953301228.db2.gz FACMJMRSMLOEMG-VXGBXAGGSA-N 0 1 384.488 1.458 20 0 GDADMN CCC1(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)CCCCC1 ZINC001571250070 953308517 /nfs/dbraw/zinc/30/85/17/953308517.db2.gz NSHLWDGUGJJXMG-KBPBESRZSA-N 0 1 384.488 1.698 20 0 GDADMN 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XVSBETJTBNYFEX-OAHLLOKOSA-N 0 1 386.456 1.056 20 0 GDADMN Cn1nc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cc1C(=O)[O-] ZINC001598620070 993988247 /nfs/dbraw/zinc/98/82/47/993988247.db2.gz XVSBETJTBNYFEX-OAHLLOKOSA-N 0 1 386.456 1.056 20 0 GDADMN C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3C(=O)[O-])C[C@@H]2C1 ZINC001598629839 994156342 /nfs/dbraw/zinc/15/63/42/994156342.db2.gz GYFJWUGXUBFVEU-DTORHVGOSA-N 0 1 379.265 1.874 20 0 GDADMN COc1ccc2c(c1)CC[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)C2 ZINC001599627539 994171039 /nfs/dbraw/zinc/17/10/39/994171039.db2.gz LERNJXPOXZGXEB-WMLDXEAASA-N 0 1 375.469 1.743 20 0 GDADMN CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001598632302 994190181 /nfs/dbraw/zinc/19/01/81/994190181.db2.gz DQKMDLODFWZBCA-WYRIXSBYSA-N 0 1 393.509 1.968 20 0 GDADMN CNC(=O)[C@@H](C[NH2+]C1CCN(CCCC(=O)[O-])CC1)Cc1ccc(F)cc1C ZINC001598634492 994225201 /nfs/dbraw/zinc/22/52/01/994225201.db2.gz MIJRREVZYHHRCW-QGZVFWFLSA-N 0 1 393.503 1.958 20 0 GDADMN CNC(=O)[C@@H](CNC1CC[NH+](CCCC(=O)[O-])CC1)Cc1ccc(F)cc1C ZINC001598634492 994225215 /nfs/dbraw/zinc/22/52/15/994225215.db2.gz MIJRREVZYHHRCW-QGZVFWFLSA-N 0 1 393.503 1.958 20 0 GDADMN COc1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001599663903 994698099 /nfs/dbraw/zinc/69/80/99/994698099.db2.gz IFOIXAFRNPICFB-AWEZNQCLSA-N 0 1 380.422 1.630 20 0 GDADMN COc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cc(C(=O)[O-])ccn2)c1 ZINC001599664389 994705380 /nfs/dbraw/zinc/70/53/80/994705380.db2.gz KXFFKSQZLUCCDE-OAHLLOKOSA-N 0 1 377.422 1.124 20 0 GDADMN COc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001599665761 994727686 /nfs/dbraw/zinc/72/76/86/994727686.db2.gz SNJJOAIHTQSPJK-GFCCVEGCSA-N 0 1 383.451 1.185 20 0 GDADMN CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001598670483 994748562 /nfs/dbraw/zinc/74/85/62/994748562.db2.gz FTYAUSREYWCDNB-GFCCVEGCSA-N 0 1 390.889 1.678 20 0 GDADMN CNS(=O)(=O)NC1CC[NH+]([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001598671307 994761709 /nfs/dbraw/zinc/76/17/09/994761709.db2.gz OPARRZJIBPRNBY-CYBMUJFWSA-N 0 1 379.841 1.123 20 0 GDADMN CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])ccc1C ZINC001598674462 994817475 /nfs/dbraw/zinc/81/74/75/994817475.db2.gz PTYSNCXZUYTJIM-JDFRZJQESA-N 0 1 395.481 1.027 20 0 GDADMN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccoc2C(=O)[O-])c1 ZINC001598675774 994841151 /nfs/dbraw/zinc/84/11/51/994841151.db2.gz KDUXVPUTDWPSEL-SNVBAGLBSA-N 0 1 381.410 1.003 20 0 GDADMN COC(=O)C(C)(C)N1CC[NH+](Cc2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC001598684387 994983334 /nfs/dbraw/zinc/98/33/34/994983334.db2.gz UATOGMXKGFVSLC-UHFFFAOYSA-N 0 1 378.469 1.836 20 0 GDADMN C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC001593356820 995004873 /nfs/dbraw/zinc/00/48/73/995004873.db2.gz JUZTWFOHRCJDKE-RYUDHWBXSA-N 0 1 381.479 1.955 20 0 GDADMN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[NH+](CC(=O)[O-])CC1 ZINC001593621808 995872784 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/nfs/dbraw/zinc/27/32/99/996273299.db2.gz AZMBZYWIZSOJMN-NILFDRSVSA-N 0 1 382.844 1.665 20 0 GDADMN COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C(=O)[O-] ZINC001598819487 996308917 /nfs/dbraw/zinc/30/89/17/996308917.db2.gz OVXRJLFATPHEMG-MVWJERBFSA-N 0 1 384.816 1.481 20 0 GDADMN COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C(=O)[O-] ZINC001598819487 996308922 /nfs/dbraw/zinc/30/89/22/996308922.db2.gz OVXRJLFATPHEMG-MVWJERBFSA-N 0 1 384.816 1.481 20 0 GDADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C[C@@H]1C(=O)[O-] ZINC001598820568 996321759 /nfs/dbraw/zinc/32/17/59/996321759.db2.gz HSTXUZNFKPTPSC-SCTDSRPQSA-N 0 1 388.464 1.840 20 0 GDADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2ccc(COC(C)C)cc2)C[C@H]1C(=O)[O-] ZINC001598822102 996340258 /nfs/dbraw/zinc/34/02/58/996340258.db2.gz OLQYLACTRZXMMK-IAGOWNOFSA-N 0 1 392.452 1.033 20 0 GDADMN C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001593762573 996432051 /nfs/dbraw/zinc/43/20/51/996432051.db2.gz OLFRPVCUJXUUOB-IFXJQAMLSA-N 0 1 377.441 1.246 20 0 GDADMN C[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC001593777456 996484408 /nfs/dbraw/zinc/48/44/08/996484408.db2.gz WRRGOKFVHSPCBD-FQEVSTJZSA-N 0 1 375.469 1.644 20 0 GDADMN COC(=O)C[C@@H]1CSCCN1[C@@H](C)CC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC001598844730 996555509 /nfs/dbraw/zinc/55/55/09/996555509.db2.gz RNCJKYGTCXZVJQ-RRFJBIMHSA-N 0 1 390.571 1.638 20 0 GDADMN COC(=O)N1CCC([C@H](C)NC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)CC1 ZINC001598880647 996806263 /nfs/dbraw/zinc/80/62/63/996806263.db2.gz UIHDYGIMJOJDHJ-KBPBESRZSA-N 0 1 384.477 1.044 20 0 GDADMN CO[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001599073668 996819764 /nfs/dbraw/zinc/81/97/64/996819764.db2.gz XIZVFEUVZFSTGM-FXAWDEMLSA-N 0 1 375.469 1.436 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC001599381138 996849539 /nfs/dbraw/zinc/84/95/39/996849539.db2.gz SJOAYQNUUIITHY-ARFHVFGLSA-N 0 1 392.452 1.124 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC001599381276 996854162 /nfs/dbraw/zinc/85/41/62/996854162.db2.gz VPPFKBRESUHQSM-HOTGVXAUSA-N 0 1 395.452 1.608 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001599381282 996855088 /nfs/dbraw/zinc/85/50/88/996855088.db2.gz VQPMSRHHVOMRMH-XGNBGGDFSA-N 0 1 395.452 1.401 20 0 GDADMN COCc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001599280121 996882285 /nfs/dbraw/zinc/88/22/85/996882285.db2.gz VFJRPJCMOQLSPN-MRXNPFEDSA-N 0 1 382.482 1.826 20 0 GDADMN CO[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC001599077166 996900921 /nfs/dbraw/zinc/90/09/21/996900921.db2.gz VQDQWLJXDAATIC-OAQYLSRUSA-N 0 1 383.448 1.959 20 0 GDADMN COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1F ZINC001599489697 996916267 /nfs/dbraw/zinc/91/62/67/996916267.db2.gz OYMQBCUVXHAXQM-GXTWGEPZSA-N 0 1 390.415 1.940 20 0 GDADMN COc1cc(C)c(NC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)cc1F ZINC001599392313 997060827 /nfs/dbraw/zinc/06/08/27/997060827.db2.gz DXUOSTJRARJJLB-GOSISDBHSA-N 0 1 381.404 1.536 20 0 GDADMN COc1ccc([C@H](CC(=O)O[C@H]2C[N@@H+](C)[C@](C)(C(=O)[O-])C2)NC(C)=O)cc1 ZINC001599514679 997362525 /nfs/dbraw/zinc/36/25/25/997362525.db2.gz GEFKSDHSBJILCI-GJYPPUQNSA-N 0 1 378.425 1.353 20 0 GDADMN COc1cc(CNC(=O)[C@]2([NH+](C)C)COc3ccccc3C2)ccc1C(=O)[O-] ZINC001599408974 997384538 /nfs/dbraw/zinc/38/45/38/997384538.db2.gz JOKDGDWQTWLCAY-OAQYLSRUSA-N 0 1 384.432 1.945 20 0 GDADMN COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C(=O)[O-])cc1 ZINC001599518141 997428970 /nfs/dbraw/zinc/42/89/70/997428970.db2.gz MZOSIKSWXOPGIQ-KSZLIROESA-N 0 1 386.452 1.406 20 0 GDADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC001598915858 997463783 /nfs/dbraw/zinc/46/37/83/997463783.db2.gz ODNNHMOHOHKVEE-NWDGAFQWSA-N 0 1 396.465 1.838 20 0 GDADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC001598915858 997463791 /nfs/dbraw/zinc/46/37/91/997463791.db2.gz ODNNHMOHOHKVEE-NWDGAFQWSA-N 0 1 396.465 1.838 20 0 GDADMN COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC001598922412 997591902 /nfs/dbraw/zinc/59/19/02/997591902.db2.gz PWSFEPIOHPHGED-STQMWFEESA-N 0 1 398.481 1.713 20 0 GDADMN COc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001599422224 997613646 /nfs/dbraw/zinc/61/36/46/997613646.db2.gz HXUJYWGTFIYPAW-SMDDNHRTSA-N 0 1 386.445 1.637 20 0 GDADMN COc1ccc(C)cc1-n1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)n1 ZINC001599534601 997719320 /nfs/dbraw/zinc/71/93/20/997719320.db2.gz QWFNWQRKPITBIX-OAHLLOKOSA-N 0 1 386.452 1.810 20 0 GDADMN COc1cc(NC(=O)C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c(OC)cc1Cl ZINC001599435205 997832135 /nfs/dbraw/zinc/83/21/35/997832135.db2.gz MIHITTTVJQHYEH-BBATYDOGSA-N 0 1 398.843 1.719 20 0 GDADMN 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COc1ccc(-c2nc(CNC(=O)c3cccc(-n4cnnn4)c3)n[nH]2)cc1 ZINC000359927311 209204117 /nfs/dbraw/zinc/20/41/17/209204117.db2.gz KXHWHYJXZWMDPC-UHFFFAOYSA-N 0 1 376.380 1.386 20 0 GDADMN O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)NCCCOC1CCCCC1 ZINC000359905959 209202176 /nfs/dbraw/zinc/20/21/76/209202176.db2.gz VIZNZSVWAWVWAH-GOSISDBHSA-N 0 1 395.544 1.413 20 0 GDADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCO[C@@H](COC)C1 ZINC000359864753 209195000 /nfs/dbraw/zinc/19/50/00/209195000.db2.gz BWZDCGQNHLPBOT-QGZVFWFLSA-N 0 1 392.500 1.716 20 0 GDADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000020688339 210355971 /nfs/dbraw/zinc/35/59/71/210355971.db2.gz CAQPJWZADUFHTI-HXUWFJFHSA-N 0 1 398.551 1.712 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000631880286 450590552 /nfs/dbraw/zinc/59/05/52/450590552.db2.gz RGLRMXWAWUYFLS-CYBMUJFWSA-N 0 1 389.905 1.267 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000631880286 450590555 /nfs/dbraw/zinc/59/05/55/450590555.db2.gz RGLRMXWAWUYFLS-CYBMUJFWSA-N 0 1 389.905 1.267 20 0 GDADMN CCOC(=O)c1c(CC)c(C)sc1NC(=O)Cn1cnnc1-c1nn[nH]n1 ZINC000736604370 598875728 /nfs/dbraw/zinc/87/57/28/598875728.db2.gz XSOVZYWKDGKRCO-UHFFFAOYSA-N 0 1 390.429 1.206 20 0 GDADMN O[C@@H](COCc1ccccc1)CN1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738385922 598919354 /nfs/dbraw/zinc/91/93/54/598919354.db2.gz JEQAVKRRHVAGGJ-GOSISDBHSA-N 0 1 394.479 1.566 20 0 GDADMN C[N@@H+]1CCCC[C@H]1CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736859379 598936244 /nfs/dbraw/zinc/93/62/44/598936244.db2.gz GQDLXYNUVLKGKJ-HNNXBMFYSA-N 0 1 393.499 1.416 20 0 GDADMN C[N@H+]1CCCC[C@H]1CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736859379 598936245 /nfs/dbraw/zinc/93/62/45/598936245.db2.gz GQDLXYNUVLKGKJ-HNNXBMFYSA-N 0 1 393.499 1.416 20 0 GDADMN C[N@@H+]1CCCC[C@H]1CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736859379 598936247 /nfs/dbraw/zinc/93/62/47/598936247.db2.gz GQDLXYNUVLKGKJ-HNNXBMFYSA-N 0 1 393.499 1.416 20 0 GDADMN C[N@H+]1CCCC[C@H]1CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736859379 598936249 /nfs/dbraw/zinc/93/62/49/598936249.db2.gz GQDLXYNUVLKGKJ-HNNXBMFYSA-N 0 1 393.499 1.416 20 0 GDADMN COC(=O)[C@H](NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C)c1cccs1 ZINC000736899881 598957452 /nfs/dbraw/zinc/95/74/52/598957452.db2.gz VVHLGGRTLZFXLK-CYBMUJFWSA-N 0 1 393.450 1.429 20 0 GDADMN C[C@@H](O)C[NH+]1CCC(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736147880 598966502 /nfs/dbraw/zinc/96/65/02/598966502.db2.gz NTJXSEYWNMQMRK-CYBMUJFWSA-N 0 1 382.472 1.339 20 0 GDADMN C[C@@H](O)C[NH+]1CCC(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736147880 598966503 /nfs/dbraw/zinc/96/65/03/598966503.db2.gz NTJXSEYWNMQMRK-CYBMUJFWSA-N 0 1 382.472 1.339 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000737224731 598999786 /nfs/dbraw/zinc/99/97/86/598999786.db2.gz ZVQRIULBWILNST-UONOGXRCSA-N 0 1 378.502 1.716 20 0 GDADMN NC(=O)[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737739188 599012012 /nfs/dbraw/zinc/01/20/12/599012012.db2.gz JDWYIUAEERZYEP-CYBMUJFWSA-N 0 1 378.421 1.971 20 0 GDADMN CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736531143 599022568 /nfs/dbraw/zinc/02/25/68/599022568.db2.gz RNZZWBAELLTLKN-UHFFFAOYSA-N 0 1 395.467 1.912 20 0 GDADMN CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736531143 599022571 /nfs/dbraw/zinc/02/25/71/599022571.db2.gz RNZZWBAELLTLKN-UHFFFAOYSA-N 0 1 395.467 1.912 20 0 GDADMN COCCOc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cn1 ZINC000737015330 599029386 /nfs/dbraw/zinc/02/93/86/599029386.db2.gz ODUSQYMMZADGIN-UHFFFAOYSA-N 0 1 390.425 1.396 20 0 GDADMN Cc1nnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000737523504 599044844 /nfs/dbraw/zinc/04/48/44/599044844.db2.gz ZJVYVOMXJRNHTI-LJQANCHMSA-N 0 1 380.456 1.322 20 0 GDADMN Cc1nnc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000737523504 599044847 /nfs/dbraw/zinc/04/48/47/599044847.db2.gz ZJVYVOMXJRNHTI-LJQANCHMSA-N 0 1 380.456 1.322 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000737201758 599081897 /nfs/dbraw/zinc/08/18/97/599081897.db2.gz VNPAZTKUUYQKAH-NHYWBVRUSA-N 0 1 387.488 1.315 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000737201758 599081900 /nfs/dbraw/zinc/08/19/00/599081900.db2.gz VNPAZTKUUYQKAH-NHYWBVRUSA-N 0 1 387.488 1.315 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000737201758 599081903 /nfs/dbraw/zinc/08/19/03/599081903.db2.gz VNPAZTKUUYQKAH-NHYWBVRUSA-N 0 1 387.488 1.315 20 0 GDADMN O=C(CN1CCN2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000823001582 599106608 /nfs/dbraw/zinc/10/66/08/599106608.db2.gz NETZPVXHRBNUJW-CYBMUJFWSA-N 0 1 375.864 1.629 20 0 GDADMN CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736535503 599123898 /nfs/dbraw/zinc/12/38/98/599123898.db2.gz XVZANYAWVDQYQZ-UHFFFAOYSA-N 0 1 396.492 1.748 20 0 GDADMN O=c1c(-c2nn[nH]n2)cn(Cc2nc(CC(F)(F)F)no2)c2ccccc12 ZINC000738370298 599167445 /nfs/dbraw/zinc/16/74/45/599167445.db2.gz AUWGQCWLOKXASS-UHFFFAOYSA-N 0 1 377.286 1.718 20 0 GDADMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000736757809 599213959 /nfs/dbraw/zinc/21/39/59/599213959.db2.gz DNEHTZBJUMTVMF-SFHVURJKSA-N 0 1 380.452 1.535 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCOC[C@H]2c2ccco2)cc1-c1nn[nH]n1 ZINC000737185724 599215000 /nfs/dbraw/zinc/21/50/00/599215000.db2.gz BWZNDDFPUQOGFW-NSHDSACASA-N 0 1 388.409 1.496 20 0 GDADMN O=C([O-])C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000819357530 597057065 /nfs/dbraw/zinc/05/70/65/597057065.db2.gz CHKVKDHRHSOALC-SFHVURJKSA-N 0 1 375.469 1.915 20 0 GDADMN CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000532712871 597069114 /nfs/dbraw/zinc/06/91/14/597069114.db2.gz ZKTBKVFRCYKEOC-ZDUSSCGKSA-N 0 1 383.470 1.062 20 0 GDADMN Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c(C)c1 ZINC000533203583 597072191 /nfs/dbraw/zinc/07/21/91/597072191.db2.gz ZOUYFMFEEGNGHU-INIZCTEOSA-N 0 1 375.469 1.853 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000532712863 597081454 /nfs/dbraw/zinc/08/14/54/597081454.db2.gz YZAJSHFGPOWWDJ-LBPRGKRZSA-N 0 1 376.392 1.235 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000532712863 597081458 /nfs/dbraw/zinc/08/14/58/597081458.db2.gz YZAJSHFGPOWWDJ-LBPRGKRZSA-N 0 1 376.392 1.235 20 0 GDADMN O=C(CSc1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](CN2CCOCC2)C1 ZINC000737943284 599246092 /nfs/dbraw/zinc/24/60/92/599246092.db2.gz RUUXLJLRLYWXKQ-CQSZACIVSA-N 0 1 388.497 1.140 20 0 GDADMN CC[C@@H](NC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1)C(=O)[O-] ZINC000818289973 597210959 /nfs/dbraw/zinc/21/09/59/597210959.db2.gz QRBGOTJTRQIVHG-MRXNPFEDSA-N 0 1 376.457 1.378 20 0 GDADMN COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)NCCC(=O)[O-])CC2)c1C ZINC000818552186 597297067 /nfs/dbraw/zinc/29/70/67/597297067.db2.gz DENDPFXXBDXLJT-UHFFFAOYSA-N 0 1 378.473 1.788 20 0 GDADMN O=C([O-])c1ccc(CNC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000738679359 597299258 /nfs/dbraw/zinc/29/92/58/597299258.db2.gz ZTEQUOLYGVTFGT-LJQANCHMSA-N 0 1 383.448 1.946 20 0 GDADMN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C[C@@H](C)O1 ZINC000818112767 597521455 /nfs/dbraw/zinc/52/14/55/597521455.db2.gz IKYCZEDOWIUGFG-FMKPAKJESA-N 0 1 389.452 1.167 20 0 GDADMN COc1ccccc1N1C[C@H](C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])CC1=O ZINC000820876809 598066494 /nfs/dbraw/zinc/06/64/94/598066494.db2.gz ZLETVXVBIQLTKH-KGLIPLIRSA-N 0 1 376.409 1.140 20 0 GDADMN O=C([O-])c1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000821470284 598173677 /nfs/dbraw/zinc/17/36/77/598173677.db2.gz JBSQKRQHZPMWPA-CQSZACIVSA-N 0 1 375.425 1.037 20 0 GDADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000823791590 607345596 /nfs/dbraw/zinc/34/55/96/607345596.db2.gz FQGVLEGYPXYOTG-OAHLLOKOSA-N 0 1 394.483 1.891 20 0 GDADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000823791590 607345598 /nfs/dbraw/zinc/34/55/98/607345598.db2.gz FQGVLEGYPXYOTG-OAHLLOKOSA-N 0 1 394.483 1.891 20 0 GDADMN c1cn(-c2ccc(CN3CCN(c4cc(-c5nn[nH]n5)ccn4)CC3)cc2)cn1 ZINC000738445596 598250490 /nfs/dbraw/zinc/25/04/90/598250490.db2.gz JKXWFHIAYZWNPR-UHFFFAOYSA-N 0 1 387.451 1.770 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000737201769 598288372 /nfs/dbraw/zinc/28/83/72/598288372.db2.gz VWZFBIOOTGKXMX-AWEZNQCLSA-N 0 1 375.477 1.219 20 0 GDADMN CC[N@H+](CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C ZINC000736537634 598359326 /nfs/dbraw/zinc/35/93/26/598359326.db2.gz OJNQZDJOZOYMGD-UHFFFAOYSA-N 0 1 399.503 1.305 20 0 GDADMN CC[N@@H+](CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C ZINC000736537634 598359328 /nfs/dbraw/zinc/35/93/28/598359328.db2.gz OJNQZDJOZOYMGD-UHFFFAOYSA-N 0 1 399.503 1.305 20 0 GDADMN CC[N@H+](CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C ZINC000736537634 598359330 /nfs/dbraw/zinc/35/93/30/598359330.db2.gz OJNQZDJOZOYMGD-UHFFFAOYSA-N 0 1 399.503 1.305 20 0 GDADMN CC[N@@H+](CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C ZINC000736537634 598359332 /nfs/dbraw/zinc/35/93/32/598359332.db2.gz OJNQZDJOZOYMGD-UHFFFAOYSA-N 0 1 399.503 1.305 20 0 GDADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737847422 598377716 /nfs/dbraw/zinc/37/77/16/598377716.db2.gz RZBKWUOLXIXHFS-UHFFFAOYSA-N 0 1 376.380 1.502 20 0 GDADMN Cc1nc2ccc(NC(=O)CNC(=O)c3ccc(-c4nn[nH]n4)cc3)cc2[nH]1 ZINC000737488282 598400285 /nfs/dbraw/zinc/40/02/85/598400285.db2.gz NOYFVKLIGKLGFZ-UHFFFAOYSA-N 0 1 376.380 1.420 20 0 GDADMN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1-c1nn[n-]n1 ZINC000737190462 598497265 /nfs/dbraw/zinc/49/72/65/598497265.db2.gz ZHEXOTPRHVJZMA-LLVKDONJSA-N 0 1 387.513 1.933 20 0 GDADMN CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1-c1nn[n-]n1 ZINC000737190462 598497266 /nfs/dbraw/zinc/49/72/66/598497266.db2.gz ZHEXOTPRHVJZMA-LLVKDONJSA-N 0 1 387.513 1.933 20 0 GDADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000737486824 598502890 /nfs/dbraw/zinc/50/28/90/598502890.db2.gz FKDCZIIJQHQTQJ-LLVKDONJSA-N 0 1 397.487 1.058 20 0 GDADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000737486824 598502891 /nfs/dbraw/zinc/50/28/91/598502891.db2.gz FKDCZIIJQHQTQJ-LLVKDONJSA-N 0 1 397.487 1.058 20 0 GDADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000737486824 598502892 /nfs/dbraw/zinc/50/28/92/598502892.db2.gz FKDCZIIJQHQTQJ-LLVKDONJSA-N 0 1 397.487 1.058 20 0 GDADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000737486824 598502893 /nfs/dbraw/zinc/50/28/93/598502893.db2.gz FKDCZIIJQHQTQJ-LLVKDONJSA-N 0 1 397.487 1.058 20 0 GDADMN c1csc([C@@H](NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c2ccccc2)n1 ZINC000738425010 598528571 /nfs/dbraw/zinc/52/85/71/598528571.db2.gz JJHGUUHBRHDUIV-WFASDCNBSA-N 0 1 393.480 1.941 20 0 GDADMN CC(C)C(=O)N1CCCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000735684430 598563067 /nfs/dbraw/zinc/56/30/67/598563067.db2.gz MKKLBMBIPHHGHO-UHFFFAOYSA-N 0 1 391.501 1.447 20 0 GDADMN O=C1CCC(=O)N1c1ccccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000738301668 598676365 /nfs/dbraw/zinc/67/63/65/598676365.db2.gz QWOJBPXLSJOONM-UHFFFAOYSA-N 0 1 398.404 1.321 20 0 GDADMN CN(CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736802237 598705560 /nfs/dbraw/zinc/70/55/60/598705560.db2.gz OXLPLCNRWGIUFJ-ZDUSSCGKSA-N 0 1 384.362 1.341 20 0 GDADMN CCCC[N@H+](C)CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736453070 598767394 /nfs/dbraw/zinc/76/73/94/598767394.db2.gz LOBMAMSHPWUNQW-UHFFFAOYSA-N 0 1 399.503 1.307 20 0 GDADMN CCCC[N@@H+](C)CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736453070 598767396 /nfs/dbraw/zinc/76/73/96/598767396.db2.gz LOBMAMSHPWUNQW-UHFFFAOYSA-N 0 1 399.503 1.307 20 0 GDADMN CCCC[N@H+](C)CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736453070 598767398 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O=C(C[N@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1)NCCCN1CCCCCC1=O ZINC000834004212 605777998 /nfs/dbraw/zinc/77/79/98/605777998.db2.gz RIQSFWJGFLPKSX-INIZCTEOSA-N 0 1 380.489 1.112 20 0 GDADMN O=C(C[N@@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1)NCCCN1CCCCCC1=O ZINC000834004212 605778002 /nfs/dbraw/zinc/77/80/02/605778002.db2.gz RIQSFWJGFLPKSX-INIZCTEOSA-N 0 1 380.489 1.112 20 0 GDADMN Cn1c(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)nnc1-c1ccccc1 ZINC000830974071 605814729 /nfs/dbraw/zinc/81/47/29/605814729.db2.gz FLMHBVTXONLWHG-OAHLLOKOSA-N 0 1 386.456 1.078 20 0 GDADMN Cn1c(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)nnc1-c1ccccc1 ZINC000830974071 605814733 /nfs/dbraw/zinc/81/47/33/605814733.db2.gz FLMHBVTXONLWHG-OAHLLOKOSA-N 0 1 386.456 1.078 20 0 GDADMN CC[C@@]1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCCN1C(=O)[O-] ZINC000833845370 605822442 /nfs/dbraw/zinc/82/24/42/605822442.db2.gz YSIZONIIWPXHIP-IBGZPJMESA-N 0 1 390.488 1.028 20 0 GDADMN C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833788538 605895171 /nfs/dbraw/zinc/89/51/71/605895171.db2.gz ANNJTJDBNVMNAL-LLVKDONJSA-N 0 1 380.470 1.640 20 0 GDADMN C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833788538 605895174 /nfs/dbraw/zinc/89/51/74/605895174.db2.gz ANNJTJDBNVMNAL-LLVKDONJSA-N 0 1 380.470 1.640 20 0 GDADMN O=C([O-])N1CC[C@H](CCNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000834038287 605910045 /nfs/dbraw/zinc/91/00/45/605910045.db2.gz PEYZCNUKGWDJDB-YJBOKZPZSA-N 0 1 390.484 1.442 20 0 GDADMN O=C([O-])N[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000834143820 605911602 /nfs/dbraw/zinc/91/16/02/605911602.db2.gz MEODCXZQFRZSIN-IAGOWNOFSA-N 0 1 376.457 1.099 20 0 GDADMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000833829669 605911869 /nfs/dbraw/zinc/91/18/69/605911869.db2.gz IMNGGTJVWUHMNW-GOEBONIOSA-N 0 1 388.468 1.408 20 0 GDADMN O=C([O-])N1CC(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000834044137 605916279 /nfs/dbraw/zinc/91/62/79/605916279.db2.gz HPKUHMMAQPMZSC-QGZVFWFLSA-N 0 1 376.457 1.052 20 0 GDADMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833622423 605938715 /nfs/dbraw/zinc/93/87/15/605938715.db2.gz HQBMANGKWDTDGP-LKFCYVNXSA-N 0 1 399.369 1.941 20 0 GDADMN CCCNC(=O)C[NH+]1CCC(NC(=O)c2sc(NC(=O)[O-])nc2C)CC1 ZINC000833855944 605940825 /nfs/dbraw/zinc/94/08/25/605940825.db2.gz RYDSYPMWESTYLP-UHFFFAOYSA-N 0 1 383.474 1.262 20 0 GDADMN O=C([O-])N[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000834144414 605945139 /nfs/dbraw/zinc/94/51/39/605945139.db2.gz LYVCQWUUMDDOKL-RCCFBDPRSA-N 0 1 390.484 1.215 20 0 GDADMN COC(=O)CC[N@@H+]1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)[C@@H](C)C1 ZINC000833880207 605952493 /nfs/dbraw/zinc/95/24/93/605952493.db2.gz VZYSOAXLWZLJDX-AWEZNQCLSA-N 0 1 392.456 1.598 20 0 GDADMN COC(=O)CC[N@H+]1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)[C@@H](C)C1 ZINC000833880207 605952496 /nfs/dbraw/zinc/95/24/96/605952496.db2.gz VZYSOAXLWZLJDX-AWEZNQCLSA-N 0 1 392.456 1.598 20 0 GDADMN O=C([O-])N1CCC2(C[C@H]2C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000834018938 605968117 /nfs/dbraw/zinc/96/81/17/605968117.db2.gz LPXLELQBUPKOIK-ROUUACIJSA-N 0 1 387.480 1.302 20 0 GDADMN Cn1cc(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c(-c2ccccc2)n1 ZINC000833950093 605991081 /nfs/dbraw/zinc/99/10/81/605991081.db2.gz YOVZRFCMUDWFCU-MRXNPFEDSA-N 0 1 385.468 1.683 20 0 GDADMN O=C([O-])N[C@H]1CC(=O)N(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000834159445 605996441 /nfs/dbraw/zinc/99/64/41/605996441.db2.gz ZPTSLTPULVTZCQ-HNNXBMFYSA-N 0 1 378.404 1.302 20 0 GDADMN O=C([O-])N1CC[NH+](CCCNC(=O)N2CCC(c3ccccn3)CC2)CC1 ZINC000834113188 605998231 /nfs/dbraw/zinc/99/82/31/605998231.db2.gz RMXQGIVYMINZQJ-UHFFFAOYSA-N 0 1 375.473 1.656 20 0 GDADMN O=C([O-])NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000834241784 606020300 /nfs/dbraw/zinc/02/03/00/606020300.db2.gz UOFFXTOBJLLVDI-ZDUSSCGKSA-N 0 1 381.860 1.871 20 0 GDADMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@@H]21 ZINC000834189955 606071114 /nfs/dbraw/zinc/07/11/14/606071114.db2.gz VVBDWRPIHAXKDS-CAPXZKIUSA-N 0 1 375.400 1.826 20 0 GDADMN COc1ccc(CN(C)C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cc1O ZINC000821794485 606077645 /nfs/dbraw/zinc/07/76/45/606077645.db2.gz IOVCLOPXXHDAFE-HNNXBMFYSA-N 0 1 385.424 1.453 20 0 GDADMN CN(Cc1cn2ccccc2c1-c1nn[nH]n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000821615874 606086685 /nfs/dbraw/zinc/08/66/85/606086685.db2.gz SFELKDCGZCMFJS-HOCLYGCPSA-N 0 1 388.497 1.907 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000821255218 606123929 /nfs/dbraw/zinc/12/39/29/606123929.db2.gz WPPQSQCWEKDKIH-AWEZNQCLSA-N 0 1 387.488 1.459 20 0 GDADMN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821255218 606123930 /nfs/dbraw/zinc/12/39/30/606123930.db2.gz WPPQSQCWEKDKIH-AWEZNQCLSA-N 0 1 387.488 1.459 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821255218 606123933 /nfs/dbraw/zinc/12/39/33/606123933.db2.gz WPPQSQCWEKDKIH-AWEZNQCLSA-N 0 1 387.488 1.459 20 0 GDADMN O=C1[C@@H](N2CCC[C@@]3(CCCOC3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504717 606179271 /nfs/dbraw/zinc/17/92/71/606179271.db2.gz SYBYABDRHYIONJ-FXAWDEMLSA-N 0 1 382.468 1.865 20 0 GDADMN O=C(OCCc1c[nH]nn1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000823409106 606181311 /nfs/dbraw/zinc/18/13/11/606181311.db2.gz DMCOAJXHQNLTQO-UHFFFAOYSA-N 0 1 381.352 1.556 20 0 GDADMN O=C(OCCc1cnn[nH]1)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000823409106 606181313 /nfs/dbraw/zinc/18/13/13/606181313.db2.gz DMCOAJXHQNLTQO-UHFFFAOYSA-N 0 1 381.352 1.556 20 0 GDADMN CC(C)N(CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000820116776 606188946 /nfs/dbraw/zinc/18/89/46/606188946.db2.gz NFADOTBHWHEBPJ-UHFFFAOYSA-N 0 1 379.486 1.530 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1-c1nnn[n-]1 ZINC000821969984 606280525 /nfs/dbraw/zinc/28/05/25/606280525.db2.gz HZHYAOIYEHYRQW-SKDRFNHKSA-N 0 1 377.474 1.101 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000821969984 606280527 /nfs/dbraw/zinc/28/05/27/606280527.db2.gz HZHYAOIYEHYRQW-SKDRFNHKSA-N 0 1 377.474 1.101 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000821969984 606280528 /nfs/dbraw/zinc/28/05/28/606280528.db2.gz HZHYAOIYEHYRQW-SKDRFNHKSA-N 0 1 377.474 1.101 20 0 GDADMN O=C(Cc1ccc(-c2nn[nH]n2)cc1)NCC1(CN2CCOCC2)CCCCC1 ZINC000823078831 606281151 /nfs/dbraw/zinc/28/11/51/606281151.db2.gz ULGCYEDKFREIOH-UHFFFAOYSA-N 0 1 398.511 1.808 20 0 GDADMN CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820044537 606309088 /nfs/dbraw/zinc/30/90/88/606309088.db2.gz HBEBQPQFLORDPD-UBHSHLNASA-N 0 1 376.486 1.684 20 0 GDADMN COCCOc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000821693982 606337483 /nfs/dbraw/zinc/33/74/83/606337483.db2.gz XTFFXWVRFJYGRL-UHFFFAOYSA-N 0 1 391.409 1.398 20 0 GDADMN O=C(Nc1ccc(F)cc1-c1nn[nH]n1)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000823337529 606406663 /nfs/dbraw/zinc/40/66/63/606406663.db2.gz NIBFYIWAFOKFFV-UHFFFAOYSA-N 0 1 384.375 1.074 20 0 GDADMN O=C(COc1ccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1)NC1CC1 ZINC000823040253 606412106 /nfs/dbraw/zinc/41/21/06/606412106.db2.gz FYQLOCWGRBLDLW-UHFFFAOYSA-N 0 1 398.492 1.918 20 0 GDADMN O=C(COc1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1)NC1CC1 ZINC000823040253 606412108 /nfs/dbraw/zinc/41/21/08/606412108.db2.gz FYQLOCWGRBLDLW-UHFFFAOYSA-N 0 1 398.492 1.918 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000821621975 606579509 /nfs/dbraw/zinc/57/95/09/606579509.db2.gz NMIQYKYSTWFSLI-UHFFFAOYSA-N 0 1 395.471 1.729 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000821621975 606579511 /nfs/dbraw/zinc/57/95/11/606579511.db2.gz NMIQYKYSTWFSLI-UHFFFAOYSA-N 0 1 395.471 1.729 20 0 GDADMN CCCNC(=O)C1(NCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000821114538 606646587 /nfs/dbraw/zinc/64/65/87/606646587.db2.gz WOLJKDKBVQVOED-UHFFFAOYSA-N 0 1 385.472 1.624 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCSc1ccc(F)cc1 ZINC000821600169 606700058 /nfs/dbraw/zinc/70/00/58/606700058.db2.gz ALHPOCXRISSGOV-UHFFFAOYSA-N 0 1 376.465 1.968 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCSc1ccc(F)cc1 ZINC000821600169 606700060 /nfs/dbraw/zinc/70/00/60/606700060.db2.gz ALHPOCXRISSGOV-UHFFFAOYSA-N 0 1 376.465 1.968 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCSc1ccc(F)cc1 ZINC000821600169 606700062 /nfs/dbraw/zinc/70/00/62/606700062.db2.gz ALHPOCXRISSGOV-UHFFFAOYSA-N 0 1 376.465 1.968 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCSc1ccc(F)cc1 ZINC000821600169 606700064 /nfs/dbraw/zinc/70/00/64/606700064.db2.gz ALHPOCXRISSGOV-UHFFFAOYSA-N 0 1 376.465 1.968 20 0 GDADMN O=C(NCCN1CCCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000823196617 606734728 /nfs/dbraw/zinc/73/47/28/606734728.db2.gz JKWOIKYBPRNHLD-UHFFFAOYSA-N 0 1 377.836 1.061 20 0 GDADMN Cc1n[nH]c([C@H]2CCCN([C@H]3CCN(c4sccc4-c4nn[nH]n4)C3=O)C2)n1 ZINC000822436960 606755261 /nfs/dbraw/zinc/75/52/61/606755261.db2.gz URPAALCZNGSRHH-AAEUAGOBSA-N 0 1 399.484 1.340 20 0 GDADMN O=C(CN1CCC[C@@H]2COCC[C@@H]21)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822997983 606774888 /nfs/dbraw/zinc/77/48/88/606774888.db2.gz YJHRGNYGLOLQRM-ABAIWWIYSA-N 0 1 376.848 1.960 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000820788234 606777941 /nfs/dbraw/zinc/77/79/41/606777941.db2.gz BETSXRRUONEURA-CQSZACIVSA-N 0 1 398.446 1.775 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCOc1ccc(F)cc1 ZINC000820788234 606777943 /nfs/dbraw/zinc/77/79/43/606777943.db2.gz BETSXRRUONEURA-CQSZACIVSA-N 0 1 398.446 1.775 20 0 GDADMN COc1cccc(CCC[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821868523 606779724 /nfs/dbraw/zinc/77/97/24/606779724.db2.gz RULGNZIQAYQFLG-HNNXBMFYSA-N 0 1 394.483 1.809 20 0 GDADMN COc1cccc(CCC[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821868523 606779725 /nfs/dbraw/zinc/77/97/25/606779725.db2.gz RULGNZIQAYQFLG-HNNXBMFYSA-N 0 1 394.483 1.809 20 0 GDADMN COc1cccc(CCC[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821868523 606779726 /nfs/dbraw/zinc/77/97/26/606779726.db2.gz RULGNZIQAYQFLG-HNNXBMFYSA-N 0 1 394.483 1.809 20 0 GDADMN COc1cccc(CCC[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821868523 606779727 /nfs/dbraw/zinc/77/97/27/606779727.db2.gz RULGNZIQAYQFLG-HNNXBMFYSA-N 0 1 394.483 1.809 20 0 GDADMN CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821592524 606792905 /nfs/dbraw/zinc/79/29/05/606792905.db2.gz JRXQKBCWBGHXBI-QGZVFWFLSA-N 0 1 398.492 1.762 20 0 GDADMN CC(C)(C)N(CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CCS(C)(=O)=O ZINC000819913950 606813889 /nfs/dbraw/zinc/81/38/89/606813889.db2.gz INHHQXGZZSFSEQ-UHFFFAOYSA-N 0 1 394.501 1.340 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1-c1nnn[n-]1 ZINC000821979850 606855883 /nfs/dbraw/zinc/85/58/83/606855883.db2.gz ZPHHYBQJTSRPFW-CABZTGNLSA-N 0 1 377.474 1.148 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000821979850 606855885 /nfs/dbraw/zinc/85/58/85/606855885.db2.gz ZPHHYBQJTSRPFW-CABZTGNLSA-N 0 1 377.474 1.148 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000821979850 606855886 /nfs/dbraw/zinc/85/58/86/606855886.db2.gz ZPHHYBQJTSRPFW-CABZTGNLSA-N 0 1 377.474 1.148 20 0 GDADMN CC(C)(NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1nccs1 ZINC000819991234 606891507 /nfs/dbraw/zinc/89/15/07/606891507.db2.gz CMJITURVARRZKZ-UHFFFAOYSA-N 0 1 386.409 1.815 20 0 GDADMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CN1Cc1ccccc1 ZINC000820667813 606897255 /nfs/dbraw/zinc/89/72/55/606897255.db2.gz ODKCKZPSIWMPLA-WMLDXEAASA-N 0 1 398.492 1.808 20 0 GDADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)CC(=O)NCc1cccs1 ZINC000821600270 606897404 /nfs/dbraw/zinc/89/74/04/606897404.db2.gz FNLNYFGVZCKQSL-UHFFFAOYSA-N 0 1 386.481 1.945 20 0 GDADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821572209 606908953 /nfs/dbraw/zinc/90/89/53/606908953.db2.gz VYRDBYMZAUFZMS-CVEARBPZSA-N 0 1 388.472 1.841 20 0 GDADMN CCO[C@H]1C[C@H](N(C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCC2 ZINC000821357336 606917130 /nfs/dbraw/zinc/91/71/30/606917130.db2.gz CBXRCPCSRGBETK-IRXDYDNUSA-N 0 1 384.484 1.762 20 0 GDADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822553003 607172251 /nfs/dbraw/zinc/17/22/51/607172251.db2.gz HDNXNHYMQMZJQV-UHFFFAOYSA-N 0 1 398.857 1.790 20 0 GDADMN CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)C1 ZINC000821255035 607181007 /nfs/dbraw/zinc/18/10/07/607181007.db2.gz SEXNWOUBALZJNM-NSHDSACASA-N 0 1 377.836 1.059 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000823123169 607206150 /nfs/dbraw/zinc/20/61/50/607206150.db2.gz QIWFMUZNCCTWTE-UHFFFAOYSA-N 0 1 377.412 1.346 20 0 GDADMN Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)cc1 ZINC000822267438 607208294 /nfs/dbraw/zinc/20/82/94/607208294.db2.gz SZUSCIVFXXGXEK-UHFFFAOYSA-N 0 1 377.368 1.593 20 0 GDADMN CN(CCCOc1ccc(Cl)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821600648 607209553 /nfs/dbraw/zinc/20/95/53/607209553.db2.gz WTHZXNCDNGRWTH-UHFFFAOYSA-N 0 1 376.808 1.039 20 0 GDADMN CC[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(-c2ccccc2)c[nH]1 ZINC000820913685 607210114 /nfs/dbraw/zinc/21/01/14/607210114.db2.gz JEHOHIFGIPTYOF-LBPRGKRZSA-N 0 1 378.400 1.116 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000823126064 607212819 /nfs/dbraw/zinc/21/28/19/607212819.db2.gz GTTRGUQAYJRLNB-ONGXEEELSA-N 0 1 378.318 1.149 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(-c2ccccc2)cs1 ZINC000820334248 607215035 /nfs/dbraw/zinc/21/50/35/607215035.db2.gz LZTXXKMYPHXGTL-SNVBAGLBSA-N 0 1 381.425 1.459 20 0 GDADMN Cc1cccc(Oc2ccccc2CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000822332716 607215331 /nfs/dbraw/zinc/21/53/31/607215331.db2.gz ROXHEIZYLURMMT-UHFFFAOYSA-N 0 1 390.407 1.875 20 0 GDADMN Cc1ccc(C[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccn2)cc1 ZINC000822234605 607217564 /nfs/dbraw/zinc/21/75/64/607217564.db2.gz BACSAKAUIXEHKW-MRXNPFEDSA-N 0 1 389.423 1.262 20 0 GDADMN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822233587 607220167 /nfs/dbraw/zinc/22/01/67/607220167.db2.gz RNUYUDFGNFAKDM-HOCLYGCPSA-N 0 1 382.428 1.051 20 0 GDADMN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820819731 607222817 /nfs/dbraw/zinc/22/28/17/607222817.db2.gz KAOWZDDCOUEHBM-QMMMGPOBSA-N 0 1 393.238 1.911 20 0 GDADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OCCCC(C)C)c1 ZINC000822237098 607223269 /nfs/dbraw/zinc/22/32/69/607223269.db2.gz FCEWVQOVUJMVDA-UHFFFAOYSA-N 0 1 398.471 1.898 20 0 GDADMN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821614799 607223449 /nfs/dbraw/zinc/22/34/49/607223449.db2.gz VLKSNKAOELLMPK-UHFFFAOYSA-N 0 1 382.306 1.015 20 0 GDADMN CN1CCC[C@@H]1[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826034170 607815359 /nfs/dbraw/zinc/81/53/59/607815359.db2.gz OHDJIOKJHFVIGT-SJORKVTESA-N 0 1 390.513 1.199 20 0 GDADMN O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCN1c1sccc1-c1nn[n-]n1 ZINC000826476570 607818211 /nfs/dbraw/zinc/81/82/11/607818211.db2.gz KNVJAWOURFGRQS-FMKGYKFTSA-N 0 1 386.481 1.581 20 0 GDADMN C[C@@H]1C[C@H](N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCN1C ZINC000824885397 607828637 /nfs/dbraw/zinc/82/86/37/607828637.db2.gz SNXIYPWCBSVMFX-UKRRQHHQSA-N 0 1 378.502 1.055 20 0 GDADMN O=C1C[C@H](N2CC[C@H](C3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478458 607843232 /nfs/dbraw/zinc/84/32/32/607843232.db2.gz BTUCCGCBQNHHOA-RDJZCZTQSA-N 0 1 396.451 1.247 20 0 GDADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CCN([C@H]2CCOC2)CC1 ZINC000826267934 607848896 /nfs/dbraw/zinc/84/88/96/607848896.db2.gz CLAKGWUXHUCOSL-AWEZNQCLSA-N 0 1 383.431 1.773 20 0 GDADMN Cc1ncc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[nH]1 ZINC000826323934 607866335 /nfs/dbraw/zinc/86/63/35/607866335.db2.gz YDDGYOWCCIBLPC-CYBMUJFWSA-N 0 1 384.425 1.052 20 0 GDADMN CS[C@@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826225298 607932617 /nfs/dbraw/zinc/93/26/17/607932617.db2.gz YLSUNMLPXMYHSE-JTQLQIEISA-N 0 1 377.474 1.522 20 0 GDADMN CCCN(CC(=O)OCC)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825307590 607961603 /nfs/dbraw/zinc/96/16/03/607961603.db2.gz GHRWFYLJIPUHAB-UHFFFAOYSA-N 0 1 380.430 1.105 20 0 GDADMN COC(=O)C1=C(C)O[C@@H](CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000826129660 608003857 /nfs/dbraw/zinc/00/38/57/608003857.db2.gz XVZLYTRPCZEWLA-CQSZACIVSA-N 0 1 384.440 1.225 20 0 GDADMN COC(=O)C1=C(C)O[C@H](CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000826129659 608003975 /nfs/dbraw/zinc/00/39/75/608003975.db2.gz XVZLYTRPCZEWLA-AWEZNQCLSA-N 0 1 384.440 1.225 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000826077687 608019798 /nfs/dbraw/zinc/01/97/98/608019798.db2.gz QPIKHTUOJXLBCL-UONOGXRCSA-N 0 1 396.455 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000826077687 608019799 /nfs/dbraw/zinc/01/97/99/608019799.db2.gz QPIKHTUOJXLBCL-UONOGXRCSA-N 0 1 396.455 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccsc3c2)c1-c1nnn[n-]1 ZINC000826083004 608019868 /nfs/dbraw/zinc/01/98/68/608019868.db2.gz DXDXKCJQPACQSF-UHFFFAOYSA-N 0 1 383.441 1.604 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccsc3c2)c1-c1nn[n-]n1 ZINC000826083004 608019869 /nfs/dbraw/zinc/01/98/69/608019869.db2.gz DXDXKCJQPACQSF-UHFFFAOYSA-N 0 1 383.441 1.604 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826073335 608020350 /nfs/dbraw/zinc/02/03/50/608020350.db2.gz OGPYKWKLSQTIGH-NSHDSACASA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826073335 608020351 /nfs/dbraw/zinc/02/03/51/608020351.db2.gz OGPYKWKLSQTIGH-NSHDSACASA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2NC(C)C)c1-c1nnn[n-]1 ZINC000826084105 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CCN(C(=O)C1=CCOCC1)[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289951 946024198 /nfs/dbraw/zinc/02/41/98/946024198.db2.gz QNAVUSXIUXNEEU-AWEZNQCLSA-N 0 1 388.497 1.698 20 0 GDADMN CCN(C(=O)C1=CCOCC1)[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289951 946024209 /nfs/dbraw/zinc/02/42/09/946024209.db2.gz QNAVUSXIUXNEEU-AWEZNQCLSA-N 0 1 388.497 1.698 20 0 GDADMN O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1occc1Cl ZINC001571290372 946038595 /nfs/dbraw/zinc/03/85/95/946038595.db2.gz CJNZMDVOUMREDE-UWVGGRQHSA-N 0 1 388.819 1.478 20 0 GDADMN Cc1cc(NC[C@@H]2CCN(C(=O)c3cc(Cl)no3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571290666 946049963 /nfs/dbraw/zinc/04/99/63/946049963.db2.gz LECODKVZNACEAW-JTQLQIEISA-N 0 1 388.819 1.208 20 0 GDADMN O=C(N[C@H]1CC[C@@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1ncn[nH]1 ZINC001571290783 946058002 /nfs/dbraw/zinc/05/80/02/946058002.db2.gz OWCIJPYIHPRKLR-SCZZXKLOSA-N 0 1 388.823 1.044 20 0 GDADMN O=C(N[C@H]1CC[C@@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1nc[nH]n1 ZINC001571290783 946058015 /nfs/dbraw/zinc/05/80/15/946058015.db2.gz OWCIJPYIHPRKLR-SCZZXKLOSA-N 0 1 388.823 1.044 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@H]1CC1(F)F ZINC001571294670 946141195 /nfs/dbraw/zinc/14/11/95/946141195.db2.gz LLEGTHBJGUWTAD-FSDSQADBSA-N 0 1 389.819 1.939 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)c2csnn2)CC1 ZINC001571297907 946201332 /nfs/dbraw/zinc/20/13/32/946201332.db2.gz CTFVZYCOLPDNGV-UHFFFAOYSA-N 0 1 390.498 1.516 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)c2csnn2)CC1 ZINC001571297907 946201345 /nfs/dbraw/zinc/20/13/45/946201345.db2.gz CTFVZYCOLPDNGV-UHFFFAOYSA-N 0 1 390.498 1.516 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)c2csnn2)CC1 ZINC001571297907 946201358 /nfs/dbraw/zinc/20/13/58/946201358.db2.gz CTFVZYCOLPDNGV-UHFFFAOYSA-N 0 1 390.498 1.516 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)c2csnn2)CC1 ZINC001571297907 946201371 /nfs/dbraw/zinc/20/13/71/946201371.db2.gz CTFVZYCOLPDNGV-UHFFFAOYSA-N 0 1 390.498 1.516 20 0 GDADMN O=C(NC[C@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CCCC1 ZINC001571298641 946226013 /nfs/dbraw/zinc/22/60/13/946226013.db2.gz BTRCCTQPYIRXSD-AWEZNQCLSA-N 0 1 390.513 1.826 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)cc1 ZINC001571298705 946228048 /nfs/dbraw/zinc/22/80/48/946228048.db2.gz KHWSWPNOGDQOSQ-BBRMVZONSA-N 0 1 390.451 1.684 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC001571299384 946249297 /nfs/dbraw/zinc/24/92/97/946249297.db2.gz LZYHHJDXJMJKIV-UONOGXRCSA-N 0 1 390.513 1.778 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC001571299384 946249307 /nfs/dbraw/zinc/24/93/07/946249307.db2.gz LZYHHJDXJMJKIV-UONOGXRCSA-N 0 1 390.513 1.778 20 0 GDADMN C[C@@H]1CN(C(=O)C2=COCCO2)CC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571299462 946251458 /nfs/dbraw/zinc/25/14/58/946251458.db2.gz WKEULQLZADMWLL-YPMHNXCESA-N 0 1 390.469 1.143 20 0 GDADMN C[C@@H]1CN(C(=O)C2=COCCO2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571299462 946251472 /nfs/dbraw/zinc/25/14/72/946251472.db2.gz WKEULQLZADMWLL-YPMHNXCESA-N 0 1 390.469 1.143 20 0 GDADMN O=C(CN1CCC2(C1)CCOCC2)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822996843 946257425 /nfs/dbraw/zinc/25/74/25/946257425.db2.gz KHBPLIPCJDAKTN-UHFFFAOYSA-N 0 1 376.848 1.961 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571300098 946271047 /nfs/dbraw/zinc/27/10/47/946271047.db2.gz UUCOMDPUFHHJNO-CFVMTHIKSA-N 0 1 390.513 1.824 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571300098 946271056 /nfs/dbraw/zinc/27/10/56/946271056.db2.gz UUCOMDPUFHHJNO-CFVMTHIKSA-N 0 1 390.513 1.824 20 0 GDADMN O=C(COC(=O)c1c(F)cc(O)cc1F)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000823022663 946278767 /nfs/dbraw/zinc/27/87/67/946278767.db2.gz LKXJHMDBMNWKFF-UHFFFAOYSA-N 0 1 375.291 1.646 20 0 GDADMN O=C(N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C1(F)CCOCC1 ZINC001571307889 946426503 /nfs/dbraw/zinc/42/65/03/946426503.db2.gz IZNCMHHVKJPTOJ-AWEZNQCLSA-N 0 1 392.410 1.215 20 0 GDADMN Cc1cc(NCC2CC(NC(=O)c3cc4c([nH]3)CCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314921 946544539 /nfs/dbraw/zinc/54/45/39/946544539.db2.gz DOFSTDLXCTXRTD-UHFFFAOYSA-N 0 1 392.467 1.429 20 0 GDADMN Cc1cc(NC[C@H]2CCN(C(=O)CCc3ccncc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314973 946547018 /nfs/dbraw/zinc/54/70/18/946547018.db2.gz FTRIHNXQSQSQIJ-MRXNPFEDSA-N 0 1 392.467 1.280 20 0 GDADMN Cc1cc(NC2CCN(C(=O)c3cc(C)c(C)cn3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315826 946560319 /nfs/dbraw/zinc/56/03/19/946560319.db2.gz OXOQHBWZYUDUMX-UHFFFAOYSA-N 0 1 392.467 1.721 20 0 GDADMN Cn1ncc(C2CC2)c1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316492 946580133 /nfs/dbraw/zinc/58/01/33/946580133.db2.gz DMPAOEFUJZGMKD-UHFFFAOYSA-N 0 1 392.467 1.339 20 0 GDADMN Cc1cncc(CC(=O)N2CC[C@H](N(C)c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571316683 946584954 /nfs/dbraw/zinc/58/49/54/946584954.db2.gz JVWFOMWVZHLHJQ-INIZCTEOSA-N 0 1 392.467 1.553 20 0 GDADMN Cc1ccccc1C[C@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571317193 946601430 /nfs/dbraw/zinc/60/14/30/946601430.db2.gz XUVHUJFAMJYTKH-GOEBONIOSA-N 0 1 392.467 1.279 20 0 GDADMN CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC(NCc2ncc(Cl)s2)C1 ZINC001571317773 946621682 /nfs/dbraw/zinc/62/16/82/946621682.db2.gz VFTDNJUMHJIFQU-UHFFFAOYSA-N 0 1 392.876 1.698 20 0 GDADMN Cn1ncc(Cl)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571317845 946624672 /nfs/dbraw/zinc/62/46/72/946624672.db2.gz XELYKIDRYQDYES-VIFPVBQESA-N 0 1 392.876 1.319 20 0 GDADMN Cn1ncc(Cl)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571317845 946624677 /nfs/dbraw/zinc/62/46/77/946624677.db2.gz XELYKIDRYQDYES-VIFPVBQESA-N 0 1 392.876 1.319 20 0 GDADMN Brc1ccc(-c2nn[nH]n2)c(N2CCN([C@@H]3CCOC3)CC2)c1 ZINC001573279361 946637458 /nfs/dbraw/zinc/63/74/58/946637458.db2.gz GQNCUTQUNJIPBI-GFCCVEGCSA-N 0 1 379.262 1.540 20 0 GDADMN C[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553883 946794634 /nfs/dbraw/zinc/79/46/34/946794634.db2.gz JVDYMUFASZTIJI-GFCCVEGCSA-N 0 1 377.408 1.503 20 0 GDADMN C[C@@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc([S@@](C)=O)cc1 ZINC000824564160 946803372 /nfs/dbraw/zinc/80/33/72/946803372.db2.gz SRPTWGMVEHQDGB-DBDZUICISA-N 0 1 398.492 1.571 20 0 GDADMN CC(=O)Nc1ccc(CNS(=O)(=O)c2ccsc2-c2nn[nH]n2)cc1 ZINC001573547311 946833373 /nfs/dbraw/zinc/83/33/73/946833373.db2.gz JIZAZPKBGBLGTC-UHFFFAOYSA-N 0 1 378.439 1.365 20 0 GDADMN C[C@@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599907 946851680 /nfs/dbraw/zinc/85/16/80/946851680.db2.gz URZHEGAVVWNPLS-CJNGLKHVSA-N 0 1 394.501 1.006 20 0 GDADMN CC1(C)CC[C@@H]2C[C@@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c3cccc1c32 ZINC000824801707 946937786 /nfs/dbraw/zinc/93/77/86/946937786.db2.gz GXCACAZRZJDWIH-BXUZGUMPSA-N 0 1 378.440 1.874 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573592964 947354882 /nfs/dbraw/zinc/35/48/82/947354882.db2.gz OTMFQEYPJNYOIJ-TZMCWYRMSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573592964 947354893 /nfs/dbraw/zinc/35/48/93/947354893.db2.gz OTMFQEYPJNYOIJ-TZMCWYRMSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001573593196 947364192 /nfs/dbraw/zinc/36/41/92/947364192.db2.gz IRNVTBWXFWVDGN-YPMHNXCESA-N 0 1 382.428 1.124 20 0 GDADMN C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1F ZINC001573603415 947488113 /nfs/dbraw/zinc/48/81/13/947488113.db2.gz GLCZKULJCLLMSZ-JTQLQIEISA-N 0 1 388.382 1.031 20 0 GDADMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CN(C)[C@H]1CCSC1 ZINC000826158676 947500926 /nfs/dbraw/zinc/50/09/26/947500926.db2.gz YNLJERKEVBKIFT-INIZCTEOSA-N 0 1 390.513 1.279 20 0 GDADMN C[C@@H](C(=O)N(CCO)CCNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573606885 947534265 /nfs/dbraw/zinc/53/42/65/947534265.db2.gz ABFBQUUNVVDWET-MRVPVSSYSA-N 0 1 385.881 1.256 20 0 GDADMN C[C@@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@H](C)C(C)(C)C ZINC001573607166 947540488 /nfs/dbraw/zinc/54/04/88/947540488.db2.gz GIGYDFPQGBAGKE-KGLIPLIRSA-N 0 1 389.504 1.235 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573616072 947616724 /nfs/dbraw/zinc/61/67/24/947616724.db2.gz LKHLTXHHLMIDOO-STQMWFEESA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573616072 947616743 /nfs/dbraw/zinc/61/67/43/947616743.db2.gz LKHLTXHHLMIDOO-STQMWFEESA-N 0 1 386.485 1.324 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)cc1 ZINC001573358236 947659700 /nfs/dbraw/zinc/65/97/00/947659700.db2.gz CYIUSUIZMLNBRM-MOPGFXCFSA-N 0 1 390.447 1.485 20 0 GDADMN C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573619515 947664675 /nfs/dbraw/zinc/66/46/75/947664675.db2.gz VMKIIZBQWGZBGI-ZDUSSCGKSA-N 0 1 381.444 1.147 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCC3(C2)OCCO3)cc1-c1nn[nH]n1 ZINC000826229656 947671381 /nfs/dbraw/zinc/67/13/81/947671381.db2.gz MHPZYELDUSKVKA-VIFPVBQESA-N 0 1 392.441 1.105 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573368304 947767434 /nfs/dbraw/zinc/76/74/34/947767434.db2.gz MMCSRLKHAAAUJJ-PXAZEXFGSA-N 0 1 388.447 1.702 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573629638 947782418 /nfs/dbraw/zinc/78/24/18/947782418.db2.gz OTAAJWXMZPFFTN-ZIAGYGMSSA-N 0 1 384.488 1.555 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573374167 947807930 /nfs/dbraw/zinc/80/79/30/947807930.db2.gz NEJCVPVHHLMCIN-AWEZNQCLSA-N 0 1 386.460 1.021 20 0 GDADMN C[C@@H](C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(C)(C)C ZINC001573637422 947812958 /nfs/dbraw/zinc/81/29/58/947812958.db2.gz CGLPXXNJVQNCMZ-UONOGXRCSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCCO1 ZINC001573637829 947824281 /nfs/dbraw/zinc/82/42/81/947824281.db2.gz RPUBIIWSAYUTRL-QAPCUYQASA-N 0 1 384.484 1.716 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573638558 947840094 /nfs/dbraw/zinc/84/00/94/947840094.db2.gz PQWAGBORFOWUQP-DZGCQCFKSA-N 0 1 378.440 1.285 20 0 GDADMN Cc1cccc(NS(=O)(=O)c2cccc(-c3nnnn3C)c2)c1-c1nn[nH]n1 ZINC000826299804 947869051 /nfs/dbraw/zinc/86/90/51/947869051.db2.gz WAOMLPAXUCJHIK-UHFFFAOYSA-N 0 1 397.424 1.166 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccn1 ZINC001573652641 947944641 /nfs/dbraw/zinc/94/46/41/947944641.db2.gz FSNSFLMGOHFDQS-FZMZJTMJSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccn1 ZINC001573652641 947944649 /nfs/dbraw/zinc/94/46/49/947944649.db2.gz FSNSFLMGOHFDQS-FZMZJTMJSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573654706 947969988 /nfs/dbraw/zinc/96/99/88/947969988.db2.gz SWYOKSZWRAQMRA-RNODOKPDSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2)n1cccc1 ZINC001573663123 948032639 /nfs/dbraw/zinc/03/26/39/948032639.db2.gz JDOTYBHRNBUMLH-YOEHRIQHSA-N 0 1 392.467 1.800 20 0 GDADMN Cc1onc(CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1-c1nnn[n-]1 ZINC000826347803 948060031 /nfs/dbraw/zinc/06/00/31/948060031.db2.gz GTIJUQCCQBDNEJ-UHFFFAOYSA-N 0 1 399.455 1.005 20 0 GDADMN Cc1onc(CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1-c1nn[n-]n1 ZINC000826347803 948060038 /nfs/dbraw/zinc/06/00/38/948060038.db2.gz GTIJUQCCQBDNEJ-UHFFFAOYSA-N 0 1 399.455 1.005 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573665532 948074818 /nfs/dbraw/zinc/07/48/18/948074818.db2.gz LYCPAWGQQPMPJN-WDEREUQCSA-N 0 1 380.403 1.423 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573666703 948090526 /nfs/dbraw/zinc/09/05/26/948090526.db2.gz VMASKFPRCBDIJR-UONOGXRCSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573677290 948134110 /nfs/dbraw/zinc/13/41/10/948134110.db2.gz BUYRWIRQLILBGS-RYUDHWBXSA-N 0 1 384.419 1.540 20 0 GDADMN C[C@@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573680372 948178593 /nfs/dbraw/zinc/17/85/93/948178593.db2.gz NMCUTSAQFQSTPA-BXUZGUMPSA-N 0 1 376.436 1.009 20 0 GDADMN CC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001573439087 948241553 /nfs/dbraw/zinc/24/15/53/948241553.db2.gz IOXDBUOCNMNGND-CYBMUJFWSA-N 0 1 376.486 1.435 20 0 GDADMN CC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001573439087 948241563 /nfs/dbraw/zinc/24/15/63/948241563.db2.gz IOXDBUOCNMNGND-CYBMUJFWSA-N 0 1 376.486 1.435 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000826424959 948275275 /nfs/dbraw/zinc/27/52/75/948275275.db2.gz KDLBLRZDEWANKM-ZDUSSCGKSA-N 0 1 392.345 1.745 20 0 GDADMN C[C@H](C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCCCC1 ZINC001573705403 948399534 /nfs/dbraw/zinc/39/95/34/948399534.db2.gz FLDJFGUFFDSUNC-ZRUQZJFASA-N 0 1 385.476 1.006 20 0 GDADMN c1ccn2c(c1)nc(N1CCC(CCCN3CCOCC3)CC1)c2-c1nn[nH]n1 ZINC000826523939 948459149 /nfs/dbraw/zinc/45/91/49/948459149.db2.gz CPWMNESLKZDPMQ-UHFFFAOYSA-N 0 1 396.499 1.843 20 0 GDADMN C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573708949 948463468 /nfs/dbraw/zinc/46/34/68/948463468.db2.gz ZLSWBEMJRDTLOI-AWEZNQCLSA-N 0 1 377.452 1.613 20 0 GDADMN C[C@@H](C(=O)NCCN(C)Cc1ccc(F)c(-c2nn[nH]n2)c1)c1cnn(C)c1 ZINC001573713670 948465584 /nfs/dbraw/zinc/46/55/84/948465584.db2.gz AUSDSXJRBHRVKJ-GFCCVEGCSA-N 0 1 386.435 1.091 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573731784 948597105 /nfs/dbraw/zinc/59/71/05/948597105.db2.gz YZQOFIRGHLEFJP-UMVBOHGHSA-N 0 1 378.440 1.189 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573732637 948606263 /nfs/dbraw/zinc/60/62/63/948606263.db2.gz TXUFEFHZYHOORC-UWVGGRQHSA-N 0 1 388.382 1.077 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1cccs1 ZINC001573740767 948642107 /nfs/dbraw/zinc/64/21/07/948642107.db2.gz OQDPNONKOBOPOA-GRYCIOLGSA-N 0 1 384.469 1.463 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001573753133 948717810 /nfs/dbraw/zinc/71/78/10/948717810.db2.gz RHILHLXTJSAJMI-HKUMRIAESA-N 0 1 376.486 1.480 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001573753133 948717815 /nfs/dbraw/zinc/71/78/15/948717815.db2.gz RHILHLXTJSAJMI-HKUMRIAESA-N 0 1 376.486 1.480 20 0 GDADMN C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574914696 948754004 /nfs/dbraw/zinc/75/40/04/948754004.db2.gz NCODRDNWGKAQOJ-LLVKDONJSA-N 0 1 387.394 1.511 20 0 GDADMN CC(C)c1cccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574416632 948756523 /nfs/dbraw/zinc/75/65/23/948756523.db2.gz AADUOMPLQUXCCM-UHFFFAOYSA-N 0 1 381.444 1.384 20 0 GDADMN C[C@H](CNC(=O)CCc1ccc(F)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574915027 948760424 /nfs/dbraw/zinc/76/04/24/948760424.db2.gz PEEWZIIODWYSQG-LBPRGKRZSA-N 0 1 384.419 1.015 20 0 GDADMN CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001574080106 948781960 /nfs/dbraw/zinc/78/19/60/948781960.db2.gz HALNCQZMIVMNSL-INIZCTEOSA-N 0 1 390.467 1.248 20 0 GDADMN C[C@H](CNC(=O)CCc1cnccn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916701 948786884 /nfs/dbraw/zinc/78/68/84/948786884.db2.gz HVIBZDQOLDQTDS-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CNC(=O)CCc1cnccn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916701 948786896 /nfs/dbraw/zinc/78/68/96/948786896.db2.gz HVIBZDQOLDQTDS-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN CC(C)c1ccccc1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574419612 948788184 /nfs/dbraw/zinc/78/81/84/948788184.db2.gz GWOWGMLGTDAQQQ-UHFFFAOYSA-N 0 1 378.440 1.743 20 0 GDADMN CC(C)c1ccoc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574421318 948814785 /nfs/dbraw/zinc/81/47/85/948814785.db2.gz IXHWTVASNFGZBH-UHFFFAOYSA-N 0 1 382.428 1.510 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C ZINC001574081550 948832152 /nfs/dbraw/zinc/83/21/52/948832152.db2.gz UITNPBLKKBMXEC-LYRGGWFBSA-N 0 1 378.427 1.936 20 0 GDADMN C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574918216 948840078 /nfs/dbraw/zinc/84/00/78/948840078.db2.gz HJYZBONRQVLFHX-GFCCVEGCSA-N 0 1 386.485 1.682 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573763110 948862439 /nfs/dbraw/zinc/86/24/39/948862439.db2.gz AYOVBXCGNFPLRD-SNVBAGLBSA-N 0 1 380.403 1.020 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573763177 948869955 /nfs/dbraw/zinc/86/99/55/948869955.db2.gz CNFYYSJOAKKHIH-SECBINFHSA-N 0 1 384.366 1.070 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21 ZINC001575234270 948900431 /nfs/dbraw/zinc/90/04/31/948900431.db2.gz AHHPXBOHVAPLAV-BDINMYNLSA-N 0 1 389.819 1.573 20 0 GDADMN CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001574088579 948927279 /nfs/dbraw/zinc/92/72/79/948927279.db2.gz BKFXTYXPSJDGIT-KBPBESRZSA-N 0 1 391.501 1.145 20 0 GDADMN C[C@@H](CNC(=O)CCn1cccn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923238 948942114 /nfs/dbraw/zinc/94/21/14/948942114.db2.gz IDNHOBPAXRXISF-ZDUSSCGKSA-N 0 1 386.435 1.229 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575239053 948959229 /nfs/dbraw/zinc/95/92/29/948959229.db2.gz PRLVNWWXNOEUIW-WDEREUQCSA-N 0 1 380.403 1.353 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCCO1 ZINC001573773743 948994739 /nfs/dbraw/zinc/99/47/39/948994739.db2.gz GOQWUIUALLSZBP-OAHLLOKOSA-N 0 1 385.472 1.340 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1)[NH+]1CCCCC1 ZINC001573775468 949041616 /nfs/dbraw/zinc/04/16/16/949041616.db2.gz XFKDXBIVKNSHQR-UHFFFAOYSA-N 0 1 384.488 1.587 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)C(F)F ZINC001573775274 949042379 /nfs/dbraw/zinc/04/23/79/949042379.db2.gz VLBRPBUSTVLYJU-UHFFFAOYSA-N 0 1 380.403 1.211 20 0 GDADMN CC(C)(C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573775670 949047718 /nfs/dbraw/zinc/04/77/18/949047718.db2.gz ZVOUTJHWFRUNEQ-INIZCTEOSA-N 0 1 384.488 1.443 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441146 949051086 /nfs/dbraw/zinc/05/10/86/949051086.db2.gz FYAIQQMAEACGLT-LLVKDONJSA-N 0 1 383.416 1.167 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574693813 949066020 /nfs/dbraw/zinc/06/60/20/949066020.db2.gz JVKHULRKJWKLMH-AWEZNQCLSA-N 0 1 386.504 1.785 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574093653 949115546 /nfs/dbraw/zinc/11/55/46/949115546.db2.gz XEWLWZZFAWVFDW-IMSKVBIZSA-N 0 1 384.459 1.844 20 0 GDADMN CC(C)(C(=O)NCc1nnc([C@@H]2CCOC2)[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC001573782810 949135283 /nfs/dbraw/zinc/13/52/83/949135283.db2.gz KKJZECBALLFFGP-GFCCVEGCSA-N 0 1 382.428 1.083 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514763 949176933 /nfs/dbraw/zinc/17/69/33/949176933.db2.gz DUKOKHCJNKLUQX-QWHCGFSZSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@H](c1cnccn1)N1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514755 949176997 /nfs/dbraw/zinc/17/69/97/949176997.db2.gz DUKOKHCJNKLUQX-CHWSQXEVSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001574698316 949188467 /nfs/dbraw/zinc/18/84/67/949188467.db2.gz JAQQUILJIKKKSL-NWDGAFQWSA-N 0 1 384.419 1.280 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574936623 949216769 /nfs/dbraw/zinc/21/67/69/949216769.db2.gz JQURPKFWTJDOMF-VIFPVBQESA-N 0 1 392.876 1.555 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001575853850 949217680 /nfs/dbraw/zinc/21/76/80/949217680.db2.gz OBKBFKAPMQXENB-UHFFFAOYSA-N 0 1 388.819 1.432 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698914 949219483 /nfs/dbraw/zinc/21/94/83/949219483.db2.gz PYFRZUHGXLZWLE-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698914 949219502 /nfs/dbraw/zinc/21/95/02/949219502.db2.gz PYFRZUHGXLZWLE-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN CC1(Nc2cccc(F)c2-c2nn[nH]n2)CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001575854098 949227241 /nfs/dbraw/zinc/22/72/41/949227241.db2.gz SNVRGEPMAYOQCP-UHFFFAOYSA-N 0 1 384.419 1.765 20 0 GDADMN C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574940161 949252691 /nfs/dbraw/zinc/25/26/91/949252691.db2.gz ABVPSRULQMPKHR-NSHDSACASA-N 0 1 386.847 1.139 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccccc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574940556 949265776 /nfs/dbraw/zinc/26/57/76/949265776.db2.gz GXSCXUZXSRIDDV-LBPRGKRZSA-N 0 1 386.406 1.982 20 0 GDADMN C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574702643 949284048 /nfs/dbraw/zinc/28/40/48/949284048.db2.gz JUPXNMNJDLQMNC-SNVBAGLBSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc3cc(-c4nn[nH]n4)ccc3[nH]1)CS2 ZINC001575860072 949287123 /nfs/dbraw/zinc/28/71/23/949287123.db2.gz CFNWGTLPVNVATB-ZBEGNZNMSA-N 0 1 384.425 1.136 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574941185 949294029 /nfs/dbraw/zinc/29/40/29/949294029.db2.gz OWWNCWVHLNSURT-AWEZNQCLSA-N 0 1 391.479 1.934 20 0 GDADMN CC(C)CC(=O)N1CCC[C@H]([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574108967 949312283 /nfs/dbraw/zinc/31/22/83/949312283.db2.gz SSASKZQMKARHHJ-GJZGRUSLSA-N 0 1 384.488 1.768 20 0 GDADMN CC(C)CC(=O)N1CCC[C@@](CO)(NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574109273 949314584 /nfs/dbraw/zinc/31/45/84/949314584.db2.gz WMIQAEOHIKRPCO-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H](NC(=O)C1=CCOCC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575259660 949332241 /nfs/dbraw/zinc/33/22/41/949332241.db2.gz PWRMMMZUWFHOQA-LBPRGKRZSA-N 0 1 386.431 1.289 20 0 GDADMN CC(C)CC(=O)N1CCO[C@@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001574110085 949346964 /nfs/dbraw/zinc/34/69/64/949346964.db2.gz PCXNZPNOVXABDU-VIFPVBQESA-N 0 1 385.881 1.662 20 0 GDADMN CC(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574110135 949349132 /nfs/dbraw/zinc/34/91/32/949349132.db2.gz RCADUOXJDOWVRH-OCCSQVGLSA-N 0 1 378.502 1.680 20 0 GDADMN CC(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574110135 949349149 /nfs/dbraw/zinc/34/91/49/949349149.db2.gz RCADUOXJDOWVRH-OCCSQVGLSA-N 0 1 378.502 1.680 20 0 GDADMN C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260138 949351121 /nfs/dbraw/zinc/35/11/21/949351121.db2.gz UZGPWDXFVATHHT-CHWSQXEVSA-N 0 1 384.444 1.072 20 0 GDADMN CC(C)n1ccc(CNC2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574459363 949351046 /nfs/dbraw/zinc/35/10/46/949351046.db2.gz BWZWHJWRRGPDLH-UHFFFAOYSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576154719 949359304 /nfs/dbraw/zinc/35/93/04/949359304.db2.gz RNEOGYHTPYNAJI-KBPBESRZSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575262832 949385568 /nfs/dbraw/zinc/38/55/68/949385568.db2.gz CMCKMOYFHBEGED-CHWSQXEVSA-N 0 1 377.452 1.404 20 0 GDADMN C[C@@H](NC(=O)[C@@H]1CCCOCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263138 949386479 /nfs/dbraw/zinc/38/64/79/949386479.db2.gz DYXMKLCLEGKJQT-GDBMZVCRSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@H](NC(=O)[C@H]1CCCOCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575263141 949390746 /nfs/dbraw/zinc/39/07/46/949390746.db2.gz DYXMKLCLEGKJQT-HOCLYGCPSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H](CNC(=O)Cc1cncs1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574944819 949400636 /nfs/dbraw/zinc/40/06/36/949400636.db2.gz GTWATOBFPOEAOB-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN C[C@@H](CNC(=O)Cc1cncs1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574944819 949400641 /nfs/dbraw/zinc/40/06/41/949400641.db2.gz GTWATOBFPOEAOB-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574464239 949402899 /nfs/dbraw/zinc/40/28/99/949402899.db2.gz HDVIMLRXACUSCR-CHWSQXEVSA-N 0 1 381.444 1.034 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC1(F)F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704871 949409481 /nfs/dbraw/zinc/40/94/81/949409481.db2.gz FJBMVOZSQDCWEK-GWCFXTLKSA-N 0 1 382.390 1.988 20 0 GDADMN CC1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575534778 949433780 /nfs/dbraw/zinc/43/37/80/949433780.db2.gz PFEHCKIGPYTRMO-AWEZNQCLSA-N 0 1 384.488 1.700 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465706 949442019 /nfs/dbraw/zinc/44/20/19/949442019.db2.gz WWRSARIRZABUDX-GOSISDBHSA-N 0 1 381.444 1.438 20 0 GDADMN C[C@@H](CNC(=O)Cn1ccnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574947452 949447591 /nfs/dbraw/zinc/44/75/91/949447591.db2.gz AXUNQHNDZKFHOS-QMMMGPOBSA-N 0 1 381.853 1.038 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@H](C)CNCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001574468904 949473874 /nfs/dbraw/zinc/47/38/74/949473874.db2.gz UXVOLQTZLYNIPG-GFCCVEGCSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@@]1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCCOC1 ZINC001575538007 949507002 /nfs/dbraw/zinc/50/70/02/949507002.db2.gz ZODBSXLKEXBBIT-GOSISDBHSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@@]1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)CCCOC1 ZINC001575538007 949507018 /nfs/dbraw/zinc/50/70/18/949507018.db2.gz ZODBSXLKEXBBIT-GOSISDBHSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@H](CC(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574470735 949512930 /nfs/dbraw/zinc/51/29/30/949512930.db2.gz FUNNOMKQLHRLSM-ZIAGYGMSSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575269200 949540332 /nfs/dbraw/zinc/54/03/32/949540332.db2.gz SBIWSIXWOJUGRT-KGLIPLIRSA-N 0 1 385.472 1.288 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872339 949545272 /nfs/dbraw/zinc/54/52/72/949545272.db2.gz IAZZWKFRDCUSQO-UKRRQHHQSA-N 0 1 384.488 1.220 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001576164284 949555438 /nfs/dbraw/zinc/55/54/38/949555438.db2.gz GOQHPTVSYYAUGC-ZJOBFFGXSA-N 0 1 385.472 1.338 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cnoc1 ZINC001573810830 949580605 /nfs/dbraw/zinc/58/06/05/949580605.db2.gz DOYMQHAVXAGECP-AWEZNQCLSA-N 0 1 389.485 1.779 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cnoc1 ZINC001573810830 949580616 /nfs/dbraw/zinc/58/06/16/949580616.db2.gz DOYMQHAVXAGECP-AWEZNQCLSA-N 0 1 389.485 1.779 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCCC[C@H]1C ZINC001576166644 949582622 /nfs/dbraw/zinc/58/26/22/949582622.db2.gz NBZYVZADDUTZTE-NEPJUHHUSA-N 0 1 382.465 1.547 20 0 GDADMN C[C@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCCC[C@H]1C ZINC001576166647 949585836 /nfs/dbraw/zinc/58/58/36/949585836.db2.gz NBZYVZADDUTZTE-VXGBXAGGSA-N 0 1 382.465 1.547 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270717 949602575 /nfs/dbraw/zinc/60/25/75/949602575.db2.gz FNKLUWOMOHXDRG-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270717 949602582 /nfs/dbraw/zinc/60/25/82/949602582.db2.gz FNKLUWOMOHXDRG-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccnnc1 ZINC001573812577 949619269 /nfs/dbraw/zinc/61/92/69/949619269.db2.gz SLBUHZZGCDMQOO-AWEZNQCLSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccnnc1 ZINC001573812577 949619280 /nfs/dbraw/zinc/61/92/80/949619280.db2.gz SLBUHZZGCDMQOO-AWEZNQCLSA-N 0 1 386.485 1.653 20 0 GDADMN C[C@H](CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)n1cccn1 ZINC001574476954 949629700 /nfs/dbraw/zinc/62/97/00/949629700.db2.gz MJTBQZPLJSOFEF-CQSZACIVSA-N 0 1 383.460 1.394 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1C(C)(C)C1(C)C ZINC001573814154 949633981 /nfs/dbraw/zinc/63/39/81/949633981.db2.gz ATTOGSFNZOQTNA-LLVKDONJSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccncc1 ZINC001574477060 949634999 /nfs/dbraw/zinc/63/49/99/949634999.db2.gz OKOGONJGFJNFJT-ZDUSSCGKSA-N 0 1 381.444 1.140 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574715138 949641295 /nfs/dbraw/zinc/64/12/95/949641295.db2.gz BONSSQKULYEFMN-UONOGXRCSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574958201 949654681 /nfs/dbraw/zinc/65/46/81/949654681.db2.gz NWONROIPDUJUJN-FZVNPBSJSA-N 0 1 383.865 1.177 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574958712 949690545 /nfs/dbraw/zinc/69/05/45/949690545.db2.gz MVXHWNNJFDZOMM-IAMHBRQHSA-N 0 1 392.467 1.221 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574132680 949700185 /nfs/dbraw/zinc/70/01/85/949700185.db2.gz AQAOLNQPBVHROL-SOUVJXGZSA-N 0 1 384.488 1.766 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001574479302 949732153 /nfs/dbraw/zinc/73/21/53/949732153.db2.gz DMXPCGFMHGOMGQ-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cccc(F)c1 ZINC001573819781 949760682 /nfs/dbraw/zinc/76/06/82/949760682.db2.gz VDKVKWKMBYCBDP-ZDUSSCGKSA-N 0 1 384.419 1.474 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(C)CCOCC1 ZINC001575559627 949760612 /nfs/dbraw/zinc/76/06/12/949760612.db2.gz WWDPSYIRHMFVJH-OAHLLOKOSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573820273 949762708 /nfs/dbraw/zinc/76/27/08/949762708.db2.gz WYRNZGWGLSKAKO-JTQLQIEISA-N 0 1 389.851 1.317 20 0 GDADMN CC(C)(C)[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001573820326 949764233 /nfs/dbraw/zinc/76/42/33/949764233.db2.gz XRRXHSBWOKYZSA-JTNHKYCSSA-N 0 1 396.459 1.126 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573820274 949765638 /nfs/dbraw/zinc/76/56/38/949765638.db2.gz WYRNZGWGLSKAKO-SNVBAGLBSA-N 0 1 389.851 1.317 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171472 949766555 /nfs/dbraw/zinc/76/65/55/949766555.db2.gz QZICDDHHQOXYOU-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171472 949766580 /nfs/dbraw/zinc/76/65/80/949766580.db2.gz QZICDDHHQOXYOU-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171472 949766597 /nfs/dbraw/zinc/76/65/97/949766597.db2.gz QZICDDHHQOXYOU-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171472 949766615 /nfs/dbraw/zinc/76/66/15/949766615.db2.gz QZICDDHHQOXYOU-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576172068 949792639 /nfs/dbraw/zinc/79/26/39/949792639.db2.gz UMZKSILVGFZCRF-UKRRQHHQSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576172068 949792660 /nfs/dbraw/zinc/79/26/60/949792660.db2.gz UMZKSILVGFZCRF-UKRRQHHQSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574481634 949793347 /nfs/dbraw/zinc/79/33/47/949793347.db2.gz SLIYMGRDLWSEHM-GHMZBOCLSA-N 0 1 383.378 1.533 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172290 949798054 /nfs/dbraw/zinc/79/80/54/949798054.db2.gz WCCDZBHELSTOFI-KGLIPLIRSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172290 949798084 /nfs/dbraw/zinc/79/80/84/949798084.db2.gz WCCDZBHELSTOFI-KGLIPLIRSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172290 949798100 /nfs/dbraw/zinc/79/81/00/949798100.db2.gz WCCDZBHELSTOFI-KGLIPLIRSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172290 949798121 /nfs/dbraw/zinc/79/81/21/949798121.db2.gz WCCDZBHELSTOFI-KGLIPLIRSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)C[C@H](C)CC(=O)NCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574139041 949807779 /nfs/dbraw/zinc/80/77/79/949807779.db2.gz HZSRTKWWZKYKIQ-AWEZNQCLSA-N 0 1 384.488 1.982 20 0 GDADMN C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574722278 949831477 /nfs/dbraw/zinc/83/14/77/949831477.db2.gz ROVKJSPGQJQHFL-AWEZNQCLSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@@H](Nc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H](C)NC(=O)COCC1CC1 ZINC001575283129 949862211 /nfs/dbraw/zinc/86/22/11/949862211.db2.gz NNEDMLVTIITNRL-JGVFFNPUSA-N 0 1 385.881 1.708 20 0 GDADMN C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575283311 949867370 /nfs/dbraw/zinc/86/73/70/949867370.db2.gz OGSIWIIVLZJMOF-HIFRSBDPSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574484890 949908112 /nfs/dbraw/zinc/90/81/12/949908112.db2.gz QUXIOETYTGGHDN-ZBFHGGJFSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575284753 949915920 /nfs/dbraw/zinc/91/59/20/949915920.db2.gz WKBOWQQWWOLOOA-STQMWFEESA-N 0 1 388.476 1.193 20 0 GDADMN C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180147 949937264 /nfs/dbraw/zinc/93/72/64/949937264.db2.gz CJQZMWLPWQERCU-JQWIXIFHSA-N 0 1 392.414 1.020 20 0 GDADMN C[C@@H](CN(C)C(=O)COC1CCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574727429 949965790 /nfs/dbraw/zinc/96/57/90/949965790.db2.gz SMKNFKKJPNICIZ-ZDUSSCGKSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180588 949967308 /nfs/dbraw/zinc/96/73/08/949967308.db2.gz FKJFZHHBKXAPNW-JSGCOSHPSA-N 0 1 382.472 1.165 20 0 GDADMN CCC[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@@H]1CC(=O)N(C)C1=O ZINC001589674413 949978772 /nfs/dbraw/zinc/97/87/72/949978772.db2.gz SUYKLPWCLLWJMA-UKRRQHHQSA-N 0 1 377.441 1.550 20 0 GDADMN CCC[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)[C@@H]1CC(=O)N(C)C1=O ZINC001589674413 949978793 /nfs/dbraw/zinc/97/87/93/949978793.db2.gz SUYKLPWCLLWJMA-UKRRQHHQSA-N 0 1 377.441 1.550 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574490325 949987823 /nfs/dbraw/zinc/98/78/23/949987823.db2.gz PUYPZFXYQJVXQJ-WOSRLPQWSA-N 0 1 381.440 1.729 20 0 GDADMN C[C@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCC[C@H](C)C1 ZINC001576182398 950052391 /nfs/dbraw/zinc/05/23/91/950052391.db2.gz ZIUAFSCOPYRUKL-NWDGAFQWSA-N 0 1 382.465 1.405 20 0 GDADMN C[C@]1(C(=O)NCC2(NCc3ccc(-c4nn[nH]n4)cc3F)CCC2)CCOC1 ZINC001575576055 950061899 /nfs/dbraw/zinc/06/18/99/950061899.db2.gz NCRDNNPAMGZBOD-SFHVURJKSA-N 0 1 388.447 1.561 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574492143 950065443 /nfs/dbraw/zinc/06/54/43/950065443.db2.gz JQVLPSPYEBSRGT-STQMWFEESA-N 0 1 382.428 1.529 20 0 GDADMN C[C@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182897 950069919 /nfs/dbraw/zinc/06/99/19/950069919.db2.gz NWUQBZJGFIXTQT-ZFWWWQNUSA-N 0 1 385.472 1.007 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cncnc2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575893959 950098866 /nfs/dbraw/zinc/09/88/66/950098866.db2.gz CBBNGNXPVNJWFO-CXAGYDPISA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575894698 950106062 /nfs/dbraw/zinc/10/60/62/950106062.db2.gz FZQBIXABAXRFIO-CJNGLKHVSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@H](CC(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CC1 ZINC001574493325 950126501 /nfs/dbraw/zinc/12/65/01/950126501.db2.gz SJALOINQBHYSOE-CYBMUJFWSA-N 0 1 385.472 1.145 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574734101 950129470 /nfs/dbraw/zinc/12/94/70/950129470.db2.gz IVTFKFPNEGEZPG-TWJWRFFLSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574734101 950129492 /nfs/dbraw/zinc/12/94/92/950129492.db2.gz IVTFKFPNEGEZPG-TWJWRFFLSA-N 0 1 390.513 1.680 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001574155477 950191761 /nfs/dbraw/zinc/19/17/61/950191761.db2.gz LXAQDQXBAWBGRL-NYTXWWLZSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574155664 950204986 /nfs/dbraw/zinc/20/49/86/950204986.db2.gz PRVORUJZFDUEBG-CZUORRHYSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)(C)CCC[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845094 950214691 /nfs/dbraw/zinc/21/46/91/950214691.db2.gz QHWQYRGWJHULKY-SFHVURJKSA-N 0 1 375.477 1.188 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574983503 950225527 /nfs/dbraw/zinc/22/55/27/950225527.db2.gz PJRCYBQMXKEKGB-LLVKDONJSA-N 0 1 390.407 1.334 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575902440 950260444 /nfs/dbraw/zinc/26/04/44/950260444.db2.gz UWLPFCUPNDHOIJ-ONGXEEELSA-N 0 1 388.819 1.690 20 0 GDADMN C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCCO1 ZINC001574498442 950273703 /nfs/dbraw/zinc/27/37/03/950273703.db2.gz NHOKJPBHJSGMFQ-TZMCWYRMSA-N 0 1 390.513 1.872 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574158760 950288228 /nfs/dbraw/zinc/28/82/28/950288228.db2.gz SAPMYBYXOKIQAW-CABCVRRESA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574159315 950301114 /nfs/dbraw/zinc/30/11/14/950301114.db2.gz WGCLEDJZIZEDPG-JTQLQIEISA-N 0 1 389.851 1.317 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ncccc1F ZINC001575906344 950311829 /nfs/dbraw/zinc/31/18/29/950311829.db2.gz HQBPQUJVIDVRQF-GXFFZTMASA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ncccc1F ZINC001575906344 950311848 /nfs/dbraw/zinc/31/18/48/950311848.db2.gz HQBPQUJVIDVRQF-GXFFZTMASA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)C[C@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576193954 950322575 /nfs/dbraw/zinc/32/25/75/950322575.db2.gz XBBGMOJWNNLMCP-ZYHUDNBSSA-N 0 1 385.407 1.334 20 0 GDADMN CC1(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[nH]n4)s3)CCCO2)CC1 ZINC001575595221 950353768 /nfs/dbraw/zinc/35/37/68/950353768.db2.gz NPMRFABKSADMSM-LBPRGKRZSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(Nc3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001576197503 950396361 /nfs/dbraw/zinc/39/63/61/950396361.db2.gz PAUXKVFHTINAIQ-ZDUSSCGKSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(Nc3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001576197503 950396381 /nfs/dbraw/zinc/39/63/81/950396381.db2.gz PAUXKVFHTINAIQ-ZDUSSCGKSA-N 0 1 387.463 1.751 20 0 GDADMN CC1CC[NH+](CC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001576199484 950422935 /nfs/dbraw/zinc/42/29/35/950422935.db2.gz ZJENBRJBFNMSIL-HNNXBMFYSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574751462 950461309 /nfs/dbraw/zinc/46/13/09/950461309.db2.gz NVMROJVSVKPORN-LBPRGKRZSA-N 0 1 380.456 1.463 20 0 GDADMN CC(C)CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001574166655 950472320 /nfs/dbraw/zinc/47/23/20/950472320.db2.gz VBVLBCYFDYDARW-ZDUSSCGKSA-N 0 1 392.529 1.711 20 0 GDADMN CC(C)CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001574166655 950472332 /nfs/dbraw/zinc/47/23/32/950472332.db2.gz VBVLBCYFDYDARW-ZDUSSCGKSA-N 0 1 392.529 1.711 20 0 GDADMN C[C@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC001575913943 950490520 /nfs/dbraw/zinc/49/05/20/950490520.db2.gz KLDCOPWICKQGSO-WPRPVWTQSA-N 0 1 389.370 1.638 20 0 GDADMN CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001573864088 950495634 /nfs/dbraw/zinc/49/56/34/950495634.db2.gz YYBZYMKTDKJBAV-ZDUSSCGKSA-N 0 1 385.384 1.217 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205133 950496329 /nfs/dbraw/zinc/49/63/29/950496329.db2.gz VCTCEHXFHMRGSM-ORAYPTAESA-N 0 1 387.463 1.433 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N[C@]2(C)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205133 950496344 /nfs/dbraw/zinc/49/63/44/950496344.db2.gz VCTCEHXFHMRGSM-ORAYPTAESA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753508 950526237 /nfs/dbraw/zinc/52/62/37/950526237.db2.gz ODUPLRHNOHNBAT-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(Cl)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753587 950533355 /nfs/dbraw/zinc/53/33/55/950533355.db2.gz PYRNPLOVUYIJDY-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574509824 950537105 /nfs/dbraw/zinc/53/71/05/950537105.db2.gz YNRNPFOSXWPXGA-OFQRWUPVSA-N 0 1 392.467 1.579 20 0 GDADMN CC(C)c1cccc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574753860 950544286 /nfs/dbraw/zinc/54/42/86/950544286.db2.gz ULBFDAJQDFNWQN-GFCCVEGCSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576206966 950587844 /nfs/dbraw/zinc/58/78/44/950587844.db2.gz ZWZCXRJKOAFSTM-KBPBESRZSA-N 0 1 387.463 1.290 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576206966 950587859 /nfs/dbraw/zinc/58/78/59/950587859.db2.gz ZWZCXRJKOAFSTM-KBPBESRZSA-N 0 1 387.463 1.290 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)cn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574999754 950588855 /nfs/dbraw/zinc/58/88/55/950588855.db2.gz MVKVOUOVLUHRQD-SNVBAGLBSA-N 0 1 391.838 1.906 20 0 GDADMN CC1(C)C(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCCC2)C1(C)C ZINC001575619866 950622157 /nfs/dbraw/zinc/62/21/57/950622157.db2.gz RLSYKSFZTKBPNH-UHFFFAOYSA-N 0 1 384.488 1.602 20 0 GDADMN CC1(C)C(C(=O)NC2(CNc3ccnc(-c4nn[nH]n4)n3)CCCC2)C1(C)C ZINC001575619865 950622664 /nfs/dbraw/zinc/62/26/64/950622664.db2.gz RJWWBFQHIPOROI-UHFFFAOYSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574758812 950623704 /nfs/dbraw/zinc/62/37/04/950623704.db2.gz IACXNOKSDLEHAW-CYBMUJFWSA-N 0 1 392.467 1.530 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574759052 950625867 /nfs/dbraw/zinc/62/58/67/950625867.db2.gz KDNHRJWSMPZINL-GFCCVEGCSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574515688 950627721 /nfs/dbraw/zinc/62/77/21/950627721.db2.gz DSKZLWDWDOMLEO-IIAWOOMASA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574515697 950631809 /nfs/dbraw/zinc/63/18/09/950631809.db2.gz DYUVGNIZCYMWBQ-DCAQKATOSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)CC(C)(C)C ZINC001574516419 950635511 /nfs/dbraw/zinc/63/55/11/950635511.db2.gz IFABSDWCCXJYDH-BCUIYNNISA-N 0 1 384.488 1.670 20 0 GDADMN CCN1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001589744350 950650180 /nfs/dbraw/zinc/65/01/80/950650180.db2.gz JQEFVIRLEMHQRA-INIZCTEOSA-N 0 1 376.501 1.686 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573873577 950650771 /nfs/dbraw/zinc/65/07/71/950650771.db2.gz ROSUMEZJKQTPFA-ZKCHVHJHSA-N 0 1 385.881 1.851 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574518259 950650992 /nfs/dbraw/zinc/65/09/92/950650992.db2.gz MXNMELMIBYHIQS-DZKIICNBSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574759970 950651538 /nfs/dbraw/zinc/65/15/38/950651538.db2.gz QZBYQSFSRKTNRY-MRVPVSSYSA-N 0 1 378.849 1.944 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575923472 950660112 /nfs/dbraw/zinc/66/01/12/950660112.db2.gz BPFXRIDHCXAMNO-QMTHXVAHSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1ccccc1 ZINC001575924514 950677039 /nfs/dbraw/zinc/67/70/39/950677039.db2.gz FMLWUSBVTSWNKE-CJNGLKHVSA-N 0 1 379.424 1.164 20 0 GDADMN CC1(C)CC(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CCCC2)C1 ZINC001575625867 950701590 /nfs/dbraw/zinc/70/15/90/950701590.db2.gz ZDCJDIBEKGISQJ-CQSZACIVSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001573878394 950707730 /nfs/dbraw/zinc/70/77/30/950707730.db2.gz OYDKDOSCRICMHE-XJFOESAGSA-N 0 1 382.472 1.234 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574762515 950710239 /nfs/dbraw/zinc/71/02/39/950710239.db2.gz YMVLSFYVHOQZKA-GFCCVEGCSA-N 0 1 383.460 1.113 20 0 GDADMN CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001589962068 950743196 /nfs/dbraw/zinc/74/31/96/950743196.db2.gz JNYZLZYVEDITLP-OAHLLOKOSA-N 0 1 385.486 1.094 20 0 GDADMN CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001589962068 950743205 /nfs/dbraw/zinc/74/32/05/950743205.db2.gz JNYZLZYVEDITLP-OAHLLOKOSA-N 0 1 385.486 1.094 20 0 GDADMN CC1(C)CC(C(=O)NC[C@@H](CO)Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001575629721 950743612 /nfs/dbraw/zinc/74/36/12/950743612.db2.gz RFZIKDFGSHLLNA-QMMMGPOBSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001574520762 950749183 /nfs/dbraw/zinc/74/91/83/950749183.db2.gz YJBFVGVNXUNXLA-JTQLQIEISA-N 0 1 377.451 1.868 20 0 GDADMN CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001573882009 950762666 /nfs/dbraw/zinc/76/26/66/950762666.db2.gz NLHPQSJUXZJQJU-CQSZACIVSA-N 0 1 392.467 1.703 20 0 GDADMN CC(C)CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574182511 950763557 /nfs/dbraw/zinc/76/35/57/950763557.db2.gz XHZBJQHVAIONST-KRWDZBQOSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)CCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574182511 950763568 /nfs/dbraw/zinc/76/35/68/950763568.db2.gz XHZBJQHVAIONST-KRWDZBQOSA-N 0 1 378.502 1.417 20 0 GDADMN CC1(C)CC(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575630727 950767820 /nfs/dbraw/zinc/76/78/20/950767820.db2.gz FZCFLLCFWKNWNG-OKILXGFUSA-N 0 1 382.472 1.663 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001575632177 950792678 /nfs/dbraw/zinc/79/26/78/950792678.db2.gz CWBHHSSAALPNCS-MKZZRHPPSA-N 0 1 381.484 1.886 20 0 GDADMN CC1(C)CC(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001575632502 950802948 /nfs/dbraw/zinc/80/29/48/950802948.db2.gz KBZQPOWREOFALO-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931519 950813353 /nfs/dbraw/zinc/81/33/53/950813353.db2.gz IKWSRUSMWJQINX-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931519 950813371 /nfs/dbraw/zinc/81/33/71/950813371.db2.gz IKWSRUSMWJQINX-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cncn1C ZINC001574524498 950860949 /nfs/dbraw/zinc/86/09/49/950860949.db2.gz XKGJURKMUSVXKU-RYUDHWBXSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cncn1C ZINC001574524498 950860960 /nfs/dbraw/zinc/86/09/60/950860960.db2.gz XKGJURKMUSVXKU-RYUDHWBXSA-N 0 1 388.501 1.277 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575639376 950864073 /nfs/dbraw/zinc/86/40/73/950864073.db2.gz ACXKELOEAOSMTH-GFCCVEGCSA-N 0 1 382.428 1.675 20 0 GDADMN C[C@H](CN(C)C(=O)c1sccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767861 950869530 /nfs/dbraw/zinc/86/95/30/950869530.db2.gz QUNTXFZXVAOLON-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN CC1(C)CC(CN2CC3(C2)C[C@@H](NC(=O)c2ccc(-c4nn[nH]n4)[nH]2)CO3)C1 ZINC001575640275 950889116 /nfs/dbraw/zinc/88/91/16/950889116.db2.gz ZWOVDWDTHVMWLR-CYBMUJFWSA-N 0 1 385.472 1.204 20 0 GDADMN C[C@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576228101 950929572 /nfs/dbraw/zinc/92/95/72/950929572.db2.gz IZEJDCFHLFHYFA-GXTWGEPZSA-N 0 1 382.472 1.308 20 0 GDADMN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001575936903 950930826 /nfs/dbraw/zinc/93/08/26/950930826.db2.gz AOOFAPKXFMQVSR-FZMZJTMJSA-N 0 1 380.412 1.450 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CC1 ZINC001573896231 950946147 /nfs/dbraw/zinc/94/61/47/950946147.db2.gz GWLMOUIORGFHAW-CYBMUJFWSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573896113 950947141 /nfs/dbraw/zinc/94/71/41/950947141.db2.gz GDXJUWJDNUOIOF-GXTWGEPZSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576229376 950963314 /nfs/dbraw/zinc/96/33/14/950963314.db2.gz LZCYYOKWQFEOLC-BXUZGUMPSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576229376 950963338 /nfs/dbraw/zinc/96/33/38/950963338.db2.gz LZCYYOKWQFEOLC-BXUZGUMPSA-N 0 1 376.486 1.291 20 0 GDADMN CC(C)CCC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574195431 950983155 /nfs/dbraw/zinc/98/31/55/950983155.db2.gz ODNRGTGCAAAXIH-OAHLLOKOSA-N 0 1 375.477 1.452 20 0 GDADMN C[C@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576229868 950985482 /nfs/dbraw/zinc/98/54/82/950985482.db2.gz OMZKMJJNKCVCKX-XJKSGUPXSA-N 0 1 381.484 1.913 20 0 GDADMN CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573900027 950992222 /nfs/dbraw/zinc/99/22/22/950992222.db2.gz PUELIESQSYGPAH-MGCOHNPYSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@H]1C[C@H](C(=O)N(C)CCN(C)Cc2cc(F)ccc2-c2nn[nH]n2)CCO1 ZINC001575938935 950996970 /nfs/dbraw/zinc/99/69/70/950996970.db2.gz NTRMTJUYAQUVDP-UONOGXRCSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1(C(F)F)CC1 ZINC001574774472 950999402 /nfs/dbraw/zinc/99/94/02/950999402.db2.gz CTFIKMDXQPWYBD-SNVBAGLBSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575939081 951001298 /nfs/dbraw/zinc/00/12/98/951001298.db2.gz OUIREGFGGYLZJL-QWHCGFSZSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575939081 951001314 /nfs/dbraw/zinc/00/13/14/951001314.db2.gz OUIREGFGGYLZJL-QWHCGFSZSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001575018622 951022119 /nfs/dbraw/zinc/02/21/19/951022119.db2.gz MWOFCQDCGFPMFE-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024337 951100136 /nfs/dbraw/zinc/10/01/36/951100136.db2.gz BEIOAEHSEGTXIW-GFCCVEGCSA-N 0 1 378.440 1.188 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CO1 ZINC001595000499 951115644 /nfs/dbraw/zinc/11/56/44/951115644.db2.gz CHSACXWKIIHUPT-INDMIFKZSA-N 0 1 390.480 1.256 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(C2CCC2)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027531 951157206 /nfs/dbraw/zinc/15/72/06/951157206.db2.gz RPMIUSMWLFMGNU-LBPRGKRZSA-N 0 1 378.440 1.577 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2cnccc2c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027529 951157873 /nfs/dbraw/zinc/15/78/73/951157873.db2.gz RPBSQGMCZNDEFW-LBPRGKRZSA-N 0 1 389.423 1.460 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575028984 951178818 /nfs/dbraw/zinc/17/88/18/951178818.db2.gz YBFFJIITRJONOX-JTQLQIEISA-N 0 1 388.382 1.849 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CO1 ZINC001595006848 951211570 /nfs/dbraw/zinc/21/15/70/951211570.db2.gz WEXBJYGBLXHUTB-KZNAEPCWSA-N 0 1 376.453 1.139 20 0 GDADMN CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)ccn1 ZINC001575034758 951256360 /nfs/dbraw/zinc/25/63/60/951256360.db2.gz DBRXKVVVZUPUMN-GFCCVEGCSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575035540 951275659 /nfs/dbraw/zinc/27/56/59/951275659.db2.gz KFMZMERJXJIFIX-LLVKDONJSA-N 0 1 379.428 1.184 20 0 GDADMN C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575036670 951299161 /nfs/dbraw/zinc/29/91/61/951299161.db2.gz VOHFTMVGBIZNIC-GFCCVEGCSA-N 0 1 383.460 1.468 20 0 GDADMN O=C([O-])C1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000389852407 951361405 /nfs/dbraw/zinc/36/14/05/951361405.db2.gz VDCUEZBFSGBGSQ-KRWDZBQOSA-N 0 1 375.469 1.832 20 0 GDADMN CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575045957 951434808 /nfs/dbraw/zinc/43/48/08/951434808.db2.gz JVAXGTBPVUERBH-GFCCVEGCSA-N 0 1 381.444 1.075 20 0 GDADMN C[C@H](CNC(=O)c1cncs1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575052516 951467452 /nfs/dbraw/zinc/46/74/52/951467452.db2.gz KSNVKFOQCFYQRY-ZCFIWIBFSA-N 0 1 384.878 1.911 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575053209 951476804 /nfs/dbraw/zinc/47/68/04/951476804.db2.gz RKDZCPBHWZDPNO-VIFPVBQESA-N 0 1 391.386 1.188 20 0 GDADMN C[C@H](CNC(=O)c1cnn2c1CCC2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054293 951492221 /nfs/dbraw/zinc/49/22/21/951492221.db2.gz HZBGFRWDZNPMRL-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](CNC(=O)c1cnn2c1CCC2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054293 951492224 /nfs/dbraw/zinc/49/22/24/951492224.db2.gz HZBGFRWDZNPMRL-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN O=C([O-])CC[N@@H+](CCCON1C(=O)c2ccccc2C1=O)C1CCOCC1 ZINC001595056009 951500590 /nfs/dbraw/zinc/50/05/90/951500590.db2.gz QHVFRYKGPUYSPE-UHFFFAOYSA-N 0 1 376.409 1.560 20 0 GDADMN C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001575056901 951523046 /nfs/dbraw/zinc/52/30/46/951523046.db2.gz LZOAHVVNSNWMIJ-NSHDSACASA-N 0 1 382.428 1.560 20 0 GDADMN C[C@H](CNC(=O)c1coc(Br)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575056971 951525524 /nfs/dbraw/zinc/52/55/24/951525524.db2.gz NKFGIUOGGGVLQJ-MRVPVSSYSA-N 0 1 392.217 1.270 20 0 GDADMN C[C@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575068822 951637632 /nfs/dbraw/zinc/63/76/32/951637632.db2.gz CSFZZYYZNWIWIC-SNVBAGLBSA-N 0 1 384.469 1.850 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575089410 951748449 /nfs/dbraw/zinc/74/84/49/951748449.db2.gz FLNALHJRJTYTNW-ACJLOTCBSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575089410 951748455 /nfs/dbraw/zinc/74/84/55/951748455.db2.gz FLNALHJRJTYTNW-ACJLOTCBSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H](C)n1cccn1 ZINC001575089528 951750657 /nfs/dbraw/zinc/75/06/57/951750657.db2.gz GKLUDAFVRSNOAO-CHWSQXEVSA-N 0 1 386.435 1.400 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCC1(F)F ZINC001575090089 951756340 /nfs/dbraw/zinc/75/63/40/951756340.db2.gz JIXQKHNFRKKBDN-GWCFXTLKSA-N 0 1 382.390 1.988 20 0 GDADMN O=C([O-])CN1CCCC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1=O ZINC001595097301 951830077 /nfs/dbraw/zinc/83/00/77/951830077.db2.gz XRRFXPCYDCRDHA-IBGZPJMESA-N 0 1 391.487 1.888 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575101290 951855342 /nfs/dbraw/zinc/85/53/42/951855342.db2.gz BLIACDDVVJSBHW-SNVBAGLBSA-N 0 1 386.485 1.390 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575101290 951855345 /nfs/dbraw/zinc/85/53/45/951855345.db2.gz BLIACDDVVJSBHW-SNVBAGLBSA-N 0 1 386.485 1.390 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ncccc1F ZINC001575101734 951863416 /nfs/dbraw/zinc/86/34/16/951863416.db2.gz IZOVJOJVAYJSJT-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ncccc1F ZINC001575101734 951863424 /nfs/dbraw/zinc/86/34/24/951863424.db2.gz IZOVJOJVAYJSJT-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575102364 951868937 /nfs/dbraw/zinc/86/89/37/951868937.db2.gz LUOYKORKOHKUKV-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575102364 951868947 /nfs/dbraw/zinc/86/89/47/951868947.db2.gz LUOYKORKOHKUKV-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN O=C([O-])Cn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nn1 ZINC001595142944 952096967 /nfs/dbraw/zinc/09/69/67/952096967.db2.gz SIEZGUIWSXSNCW-OAHLLOKOSA-N 0 1 391.859 1.801 20 0 GDADMN O=C([O-])Cn1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nn1 ZINC001595142944 952096974 /nfs/dbraw/zinc/09/69/74/952096974.db2.gz SIEZGUIWSXSNCW-OAHLLOKOSA-N 0 1 391.859 1.801 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001575137036 952132403 /nfs/dbraw/zinc/13/24/03/952132403.db2.gz SGYBDACWUMMOFM-LJQANCHMSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)Oc1cccc(Br)c1 ZINC001575143998 952160912 /nfs/dbraw/zinc/16/09/12/952160912.db2.gz FFEGMNQTDXNWCE-SECBINFHSA-N 0 1 376.218 1.721 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575144481 952168348 /nfs/dbraw/zinc/16/83/48/952168348.db2.gz VWZZQZMFXSARJI-ZDUSSCGKSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC001575144664 952169623 /nfs/dbraw/zinc/16/96/23/952169623.db2.gz XDGAQRMDKNOOPV-CZUORRHYSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575144719 952170280 /nfs/dbraw/zinc/17/02/80/952170280.db2.gz XPCSYRLHHYEBPW-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575144921 952174349 /nfs/dbraw/zinc/17/43/49/952174349.db2.gz NPYKONVOTBOYLN-LBPRGKRZSA-N 0 1 378.440 1.140 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2ccncc2c1 ZINC001575145519 952186131 /nfs/dbraw/zinc/18/61/31/952186131.db2.gz ZCSPMYIPSWZXFN-GFCCVEGCSA-N 0 1 389.423 1.199 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCOc1ccccc1 ZINC001575145873 952190016 /nfs/dbraw/zinc/19/00/16/952190016.db2.gz FEPIWGHYCREMAE-CQSZACIVSA-N 0 1 381.440 1.412 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)CCC[NH+](C)C ZINC001575166005 952318632 /nfs/dbraw/zinc/31/86/32/952318632.db2.gz RVOLVIRZTRXZAA-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)CCC[NH+](C)C ZINC001575166005 952318641 /nfs/dbraw/zinc/31/86/41/952318641.db2.gz RVOLVIRZTRXZAA-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H](CS(=O)(=O)N(CCN(C)C)Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001575178327 952406530 /nfs/dbraw/zinc/40/65/30/952406530.db2.gz OORRVIFDPPISOG-CQSZACIVSA-N 0 1 392.529 1.606 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575197139 952479359 /nfs/dbraw/zinc/47/93/59/952479359.db2.gz OAHZMNXUOAWUFI-KBPBESRZSA-N 0 1 381.440 1.676 20 0 GDADMN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccns1 ZINC001571119838 952495362 /nfs/dbraw/zinc/49/53/62/952495362.db2.gz FHRIFQMMHNJUSG-MGCOHNPYSA-N 0 1 375.483 1.683 20 0 GDADMN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccns1 ZINC001571119838 952495364 /nfs/dbraw/zinc/49/53/64/952495364.db2.gz FHRIFQMMHNJUSG-MGCOHNPYSA-N 0 1 375.483 1.683 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cccnc1 ZINC001571120094 952499490 /nfs/dbraw/zinc/49/94/90/952499490.db2.gz JGUOQKBXKVJMMQ-ZYIUAKIQSA-N 0 1 376.424 1.011 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575201273 952502779 /nfs/dbraw/zinc/50/27/79/952502779.db2.gz HZOZQESKYJZHIN-RYUDHWBXSA-N 0 1 384.419 1.621 20 0 GDADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571120707 952506549 /nfs/dbraw/zinc/50/65/49/952506549.db2.gz OLOCEAILPDHEHB-CQSZACIVSA-N 0 1 375.502 1.103 20 0 GDADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571120707 952506554 /nfs/dbraw/zinc/50/65/54/952506554.db2.gz OLOCEAILPDHEHB-CQSZACIVSA-N 0 1 375.502 1.103 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575202314 952512892 /nfs/dbraw/zinc/51/28/92/952512892.db2.gz VITFNJJKKRMDJV-GFCCVEGCSA-N 0 1 386.435 1.156 20 0 GDADMN CS[C@H](C)C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571121226 952517700 /nfs/dbraw/zinc/51/77/00/952517700.db2.gz YOCYLAHMKUAWMM-RAIGVLPGSA-N 0 1 375.502 1.250 20 0 GDADMN O=C(c1ccsn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571121233 952518294 /nfs/dbraw/zinc/51/82/94/952518294.db2.gz YSZULPXYOCYEKA-SNVBAGLBSA-N 0 1 375.483 1.779 20 0 GDADMN O=C(c1ccsn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571121233 952518297 /nfs/dbraw/zinc/51/82/97/952518297.db2.gz YSZULPXYOCYEKA-SNVBAGLBSA-N 0 1 375.483 1.779 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575203249 952519206 /nfs/dbraw/zinc/51/92/06/952519206.db2.gz SAXFQZYOPTYCIX-STQMWFEESA-N 0 1 381.444 1.124 20 0 GDADMN CC[C@H](SC)C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001571122818 952526031 /nfs/dbraw/zinc/52/60/31/952526031.db2.gz LZQFJYAAVRNMEF-RYUDHWBXSA-N 0 1 376.490 1.226 20 0 GDADMN C[C@]12CN(C(=O)c3ccc[nH]3)C[C@H]1C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571127496 952556832 /nfs/dbraw/zinc/55/68/32/952556832.db2.gz KVRKFQMKTTVJRM-QRWLVFNGSA-N 0 1 377.452 1.789 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575215077 952567847 /nfs/dbraw/zinc/56/78/47/952567847.db2.gz SLOHCLJOYQPCDI-UHFFFAOYSA-N 0 1 379.415 1.672 20 0 GDADMN Cc1cc(N[C@@H]2C[C@H](NC(=O)c3ccc[nH]3)C23CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134462 952591160 /nfs/dbraw/zinc/59/11/60/952591160.db2.gz IKMYOZVZUFGMPF-CVEARBPZSA-N 0 1 378.440 1.473 20 0 GDADMN C[C@H](NC(=O)c1cccnc1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571134608 952592689 /nfs/dbraw/zinc/59/26/89/952592689.db2.gz HYDNWVBPBYFNMO-ZDUSSCGKSA-N 0 1 378.440 1.692 20 0 GDADMN Cc1ccoc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571141315 952632654 /nfs/dbraw/zinc/63/26/54/952632654.db2.gz KJEATXNHWMYQJM-KBPBESRZSA-N 0 1 379.424 1.504 20 0 GDADMN C[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571141560 952633776 /nfs/dbraw/zinc/63/37/76/952633776.db2.gz IJGNGWXIWLUMIH-NWDGAFQWSA-N 0 1 378.502 1.273 20 0 GDADMN C[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571141560 952633779 /nfs/dbraw/zinc/63/37/79/952633779.db2.gz IJGNGWXIWLUMIH-NWDGAFQWSA-N 0 1 378.502 1.273 20 0 GDADMN Cc1nnccc1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571142530 952643248 /nfs/dbraw/zinc/64/32/48/952643248.db2.gz UDBWVGVZIWNPON-MRXNPFEDSA-N 0 1 378.440 1.360 20 0 GDADMN Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571142803 952646387 /nfs/dbraw/zinc/64/63/87/952646387.db2.gz ZDMDTNUQTFNLAI-OIISXLGYSA-N 0 1 378.440 1.136 20 0 GDADMN Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C4CC4)CC2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571151557 952675423 /nfs/dbraw/zinc/67/54/23/952675423.db2.gz QOAVRYRXKFTIHK-BMFZPTHFSA-N 0 1 379.468 1.986 20 0 GDADMN CC1(NC(=O)c2cc[nH]c(=O)c2)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571154775 952689405 /nfs/dbraw/zinc/68/94/05/952689405.db2.gz BCFQXZWCCHAWMV-UHFFFAOYSA-N 0 1 380.412 1.151 20 0 GDADMN Cc1cccnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571157972 952708794 /nfs/dbraw/zinc/70/87/94/952708794.db2.gz PBTYVWUVUGYFCI-ZDUSSCGKSA-N 0 1 379.428 1.149 20 0 GDADMN CCN(C(=O)c1n[nH]cc1C)[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571167230 952771545 /nfs/dbraw/zinc/77/15/45/952771545.db2.gz ZHIKCIFMLGQYCM-INIZCTEOSA-N 0 1 380.456 1.635 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571169785 952777999 /nfs/dbraw/zinc/77/79/99/952777999.db2.gz NGSJLGUNZAWZQA-CQSZACIVSA-N 0 1 380.456 1.511 20 0 GDADMN Cc1cc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2cc[nH]c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169859 952779512 /nfs/dbraw/zinc/77/95/12/952779512.db2.gz PHDVFIJXOIEPGW-DOMZBBRYSA-N 0 1 380.456 1.673 20 0 GDADMN CCn1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571170160 952783564 /nfs/dbraw/zinc/78/35/64/952783564.db2.gz UHTRWROZOANSAP-INIZCTEOSA-N 0 1 380.456 1.478 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c(C)n1C ZINC001571170891 952789554 /nfs/dbraw/zinc/78/95/54/952789554.db2.gz YRTIBJBCRMLFTF-CQSZACIVSA-N 0 1 380.456 1.534 20 0 GDADMN O=C(NC1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1)c1cnco1 ZINC001571171699 952795898 /nfs/dbraw/zinc/79/58/98/952795898.db2.gz DEHRRDNJPSRJRY-UHFFFAOYSA-N 0 1 380.821 1.363 20 0 GDADMN Cc1cc(N2CCN(C(=O)c3cc(F)ccc3C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571178183 952836387 /nfs/dbraw/zinc/83/63/87/952836387.db2.gz ARIJMIMFQOCMRF-UHFFFAOYSA-N 0 1 381.415 1.980 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC001571182650 952866938 /nfs/dbraw/zinc/86/69/38/952866938.db2.gz AISHNHJJXOQVOM-ZFWWWQNUSA-N 0 1 381.440 1.558 20 0 GDADMN CCc1oncc1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC001571182955 952870751 /nfs/dbraw/zinc/87/07/51/952870751.db2.gz KOOYQGUCSCEMLY-MLGOLLRUSA-N 0 1 381.440 1.667 20 0 GDADMN C[C@@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)CCc2ccoc2)C1 ZINC001571183013 952872317 /nfs/dbraw/zinc/87/23/17/952872317.db2.gz LYZKTBAJLYIZAO-IBGZPJMESA-N 0 1 381.440 1.560 20 0 GDADMN O=C(Cc1cccc(F)c1)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571183072 952873367 /nfs/dbraw/zinc/87/33/67/952873367.db2.gz NOARNZGDGIQMSV-UHFFFAOYSA-N 0 1 381.415 1.729 20 0 GDADMN CCCn1nccc1C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571183809 952882949 /nfs/dbraw/zinc/88/29/49/952882949.db2.gz JWHXCQNLQZLZSO-QWHCGFSZSA-N 0 1 381.444 1.005 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571183927 952886062 /nfs/dbraw/zinc/88/60/62/952886062.db2.gz MWBNGBONCRQZRJ-QWHCGFSZSA-N 0 1 381.444 1.124 20 0 GDADMN 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/nfs/dbraw/zinc/19/25/61/953192561.db2.gz SZNROGDXZNNRJC-NJSLBKSFSA-N 0 1 383.456 1.176 20 0 GDADMN Cc1cc(N2CCC3(C[C@H]3NC(=O)[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233485 953192984 /nfs/dbraw/zinc/19/29/84/953192984.db2.gz WGIHJLGPSKWYSC-JKSUJKDBSA-N 0 1 383.456 1.224 20 0 GDADMN Cc1nc(C)c(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)s1 ZINC001571234320 953200302 /nfs/dbraw/zinc/20/03/02/953200302.db2.gz UIJVYIYIRDWROD-UHFFFAOYSA-N 0 1 383.481 1.802 20 0 GDADMN Cc1c(C(=O)N2CC[C@@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)cnn1C ZINC001571238976 953234963 /nfs/dbraw/zinc/23/49/63/953234963.db2.gz DMQLIGVIBUKIFI-CQSZACIVSA-N 0 1 384.419 1.052 20 0 GDADMN Cc1[nH]nc(C(=O)N2CC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)c1C ZINC001571239166 953236142 /nfs/dbraw/zinc/23/61/42/953236142.db2.gz GZRIOZPIQVJEPX-CQSZACIVSA-N 0 1 384.419 1.350 20 0 GDADMN CCc1nc(C)c(CNC[C@@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC001571242731 953259695 /nfs/dbraw/zinc/25/96/95/953259695.db2.gz MSTWIULCZDSGIK-ZDUSSCGKSA-N 0 1 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ZINC001571249058 953300809 /nfs/dbraw/zinc/30/08/09/953300809.db2.gz CAMLDCHESXYYTO-ZDUSSCGKSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249074 953300888 /nfs/dbraw/zinc/30/08/88/953300888.db2.gz CKIZCIMUSBBEOS-BFHYXJOUSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC2CCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571249141 953301371 /nfs/dbraw/zinc/30/13/71/953301371.db2.gz DTYWAQOMCPGUTA-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN CC1(C)CC[C@@H]1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249396 953305032 /nfs/dbraw/zinc/30/50/32/953305032.db2.gz ICZAOTRZFGJMAJ-UONOGXRCSA-N 0 1 384.488 1.555 20 0 GDADMN CC[C@H]1CN(C(=O)C2CC(C)(C)C2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571250196 953309203 /nfs/dbraw/zinc/30/92/03/953309203.db2.gz OFXZIUZSPTXMNP-GXTWGEPZSA-N 0 1 384.488 1.554 20 0 GDADMN Cc1cnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)o1 ZINC001571250288 953309948 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0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCc2ccccc2[C@@H]1CO ZINC000821702220 606788748 /nfs/dbraw/zinc/78/87/48/606788748.db2.gz LWMVQJQITFORIR-KRWDZBQOSA-N 0 1 381.436 1.846 20 0 GDADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000821589450 606820081 /nfs/dbraw/zinc/82/00/81/606820081.db2.gz NWSXTKFNPAHQJC-UHFFFAOYSA-N 0 1 386.437 1.668 20 0 GDADMN Cc1ccc(OCCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000822262567 606883664 /nfs/dbraw/zinc/88/36/64/606883664.db2.gz BLMGOPMVTPUIRI-UHFFFAOYSA-N 0 1 395.391 1.811 20 0 GDADMN CS(=O)(=O)NC[C@H]1CCCCN1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821931613 606885705 /nfs/dbraw/zinc/88/57/05/606885705.db2.gz DWFRVBPLYNROGI-OAHLLOKOSA-N 0 1 394.501 1.039 20 0 GDADMN O=C(CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)Nc1ccccc1 ZINC000823009560 606888831 /nfs/dbraw/zinc/88/88/31/606888831.db2.gz MYWMONPWQKDKPC-UHFFFAOYSA-N 0 1 394.363 1.062 20 0 GDADMN Cn1c(Cl)cnc1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822596616 606890945 /nfs/dbraw/zinc/89/09/45/606890945.db2.gz NLWYZNSUWOJSEX-UHFFFAOYSA-N 0 1 389.775 1.010 20 0 GDADMN CCCc1nc([C@@H]2CN(c3nnc(CC)c(CC)c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000821142697 606942939 /nfs/dbraw/zinc/94/29/39/606942939.db2.gz LUTLBFYXLOQOJS-ZDUSSCGKSA-N 0 1 398.475 1.430 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(c3nnc(CC)c(CC)c3-c3nn[nH]n3)CCO2)n1 ZINC000821142697 606942941 /nfs/dbraw/zinc/94/29/41/606942941.db2.gz LUTLBFYXLOQOJS-ZDUSSCGKSA-N 0 1 398.475 1.430 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N(CCN(C)C)C1CCCC1 ZINC000822145273 607020811 /nfs/dbraw/zinc/02/08/11/607020811.db2.gz PYNIASDCTZWGHC-UHFFFAOYSA-N 0 1 378.502 1.670 20 0 GDADMN Cc1occc1-c1nnc(Sc2c3ccccc3nnc2-c2nn[nH]n2)n1N ZINC000822552605 607028584 /nfs/dbraw/zinc/02/85/84/607028584.db2.gz CYOHEHUPNVLFQW-UHFFFAOYSA-N 0 1 392.408 1.835 20 0 GDADMN CCc1nc([C@@H]2CN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)CCO2)n[nH]1 ZINC000821505447 607066641 /nfs/dbraw/zinc/06/66/41/607066641.db2.gz QHSDKWRMLQPWRY-ZDUSSCGKSA-N 0 1 383.416 1.461 20 0 GDADMN C[C@H](Cc1ccc(O)cc1)N(C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820299780 607077771 /nfs/dbraw/zinc/07/77/71/607077771.db2.gz KDNSANAYBXEIQZ-CQSZACIVSA-N 0 1 380.452 1.752 20 0 GDADMN CCc1nc([C@H]2CN(C(=O)N[C@H](C)c3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000821504826 607108276 /nfs/dbraw/zinc/10/82/76/607108276.db2.gz LKACFXZGSCFISP-BXUZGUMPSA-N 0 1 397.443 1.391 20 0 GDADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000823160552 607192128 /nfs/dbraw/zinc/19/21/28/607192128.db2.gz CUJZBTDQRLDZDN-RBUKOAKNSA-N 0 1 392.463 1.480 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000823131372 607206089 /nfs/dbraw/zinc/20/60/89/607206089.db2.gz GTCMHBDUYKUXJJ-UHFFFAOYSA-N 0 1 394.370 1.706 20 0 GDADMN CC(C)C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc2ccccc2[nH]1 ZINC000820055227 607206255 /nfs/dbraw/zinc/20/62/55/607206255.db2.gz GDAPRUDYFYBEHJ-CYBMUJFWSA-N 0 1 380.416 1.238 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000823136309 607206289 /nfs/dbraw/zinc/20/62/89/607206289.db2.gz UXOTXFOKLHWFPQ-UHFFFAOYSA-N 0 1 386.379 1.640 20 0 GDADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000823130978 607209707 /nfs/dbraw/zinc/20/97/07/607209707.db2.gz AGKATDOHXUKPCD-UHFFFAOYSA-N 0 1 381.444 1.125 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCc2cc(Br)ccc21 ZINC000823126914 607209893 /nfs/dbraw/zinc/20/98/93/607209893.db2.gz NPPQHDPWUQVMEV-UHFFFAOYSA-N 0 1 389.217 1.200 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000823126061 607212834 /nfs/dbraw/zinc/21/28/34/607212834.db2.gz GTTRGUQAYJRLNB-GXSJLCMTSA-N 0 1 378.318 1.149 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000823136164 607213168 /nfs/dbraw/zinc/21/31/68/607213168.db2.gz MPISOFJMTTXEMM-UHFFFAOYSA-N 0 1 397.786 1.938 20 0 GDADMN CCCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000821061168 607214272 /nfs/dbraw/zinc/21/42/72/607214272.db2.gz NWFYCXRNKLYHHW-UHFFFAOYSA-N 0 1 389.508 1.396 20 0 GDADMN COCCSc1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821694300 607214790 /nfs/dbraw/zinc/21/47/90/607214790.db2.gz HHONLZDKQUQLNG-NSHDSACASA-N 0 1 388.457 1.074 20 0 GDADMN CC(C)(C)OC(=O)NCc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000819939430 607215772 /nfs/dbraw/zinc/21/57/72/607215772.db2.gz BOFLPPSWEXIMBY-UHFFFAOYSA-N 0 1 399.415 1.122 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000823135939 607217334 /nfs/dbraw/zinc/21/73/34/607217334.db2.gz BGKDUPAACKLRFV-UHFFFAOYSA-N 0 1 398.774 1.333 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000823136039 607224770 /nfs/dbraw/zinc/22/47/70/607224770.db2.gz HBTCAXSVLXCDCU-UHFFFAOYSA-N 0 1 388.804 1.269 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H]1CCSC1 ZINC000530375891 649971355 /nfs/dbraw/zinc/97/13/55/649971355.db2.gz PKEAFLFIFBSGAF-JTQLQIEISA-N 0 1 380.513 1.241 20 0 GDADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000823972478 607857901 /nfs/dbraw/zinc/85/79/01/607857901.db2.gz BZYNTNSBNRGQAC-LBPRGKRZSA-N 0 1 391.863 1.259 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCc2cccc(N(C)C)n2)cc1-c1nn[nH]n1 ZINC000826229500 607876247 /nfs/dbraw/zinc/87/62/47/607876247.db2.gz HBDYSQLBFJJQRQ-UHFFFAOYSA-N 0 1 386.441 1.080 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]3COCC[C@@H]32)cc1-c1nn[nH]n1 ZINC000826229917 607928942 /nfs/dbraw/zinc/92/89/42/607928942.db2.gz WRTFMQRIPBRUOC-SKDRFNHKSA-N 0 1 376.442 1.330 20 0 GDADMN CC(=O)c1[nH]c(CCN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)nc1C ZINC000824034709 607957923 /nfs/dbraw/zinc/95/79/23/607957923.db2.gz NHLBMIKJWXYCFW-UHFFFAOYSA-N 0 1 398.446 1.605 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000826077688 608019531 /nfs/dbraw/zinc/01/95/31/608019531.db2.gz QPIKHTUOJXLBCL-ZIAGYGMSSA-N 0 1 396.455 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000826077688 608019532 /nfs/dbraw/zinc/01/95/32/608019532.db2.gz QPIKHTUOJXLBCL-ZIAGYGMSSA-N 0 1 396.455 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(C(C)(C)C)s2)c1-c1nnn[n-]1 ZINC000826083077 608019851 /nfs/dbraw/zinc/01/98/51/608019851.db2.gz IAUIXRIAZINSLG-UHFFFAOYSA-N 0 1 389.489 1.748 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(C(C)(C)C)s2)c1-c1nn[n-]n1 ZINC000826083077 608019852 /nfs/dbraw/zinc/01/98/52/608019852.db2.gz IAUIXRIAZINSLG-UHFFFAOYSA-N 0 1 389.489 1.748 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826077530 608020656 /nfs/dbraw/zinc/02/06/56/608020656.db2.gz LEAYKDOSNHKZDC-KHPPLWFESA-N 0 1 384.419 1.923 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826077530 608020657 /nfs/dbraw/zinc/02/06/57/608020657.db2.gz LEAYKDOSNHKZDC-KHPPLWFESA-N 0 1 384.419 1.923 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1-c1nnn[n-]1 ZINC000826077753 608020691 /nfs/dbraw/zinc/02/06/91/608020691.db2.gz UAJFXBNAPURCEK-UHFFFAOYSA-N 0 1 397.418 1.543 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1-c1nn[n-]n1 ZINC000826077753 608020692 /nfs/dbraw/zinc/02/06/92/608020692.db2.gz UAJFXBNAPURCEK-UHFFFAOYSA-N 0 1 397.418 1.543 20 0 GDADMN CCc1noc(CC)c1CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825777183 608020877 /nfs/dbraw/zinc/02/08/77/608020877.db2.gz PQXKPRSRCDFJRS-UHFFFAOYSA-N 0 1 387.448 1.036 20 0 GDADMN CCc1noc(CC)c1CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825777183 608020878 /nfs/dbraw/zinc/02/08/78/608020878.db2.gz PQXKPRSRCDFJRS-UHFFFAOYSA-N 0 1 387.448 1.036 20 0 GDADMN CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@H]1O ZINC000825210689 608044958 /nfs/dbraw/zinc/04/49/58/608044958.db2.gz IWVCQSOCNUPJNU-DGCLKSJQSA-N 0 1 390.513 1.838 20 0 GDADMN CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@H]1O ZINC000825210689 608044959 /nfs/dbraw/zinc/04/49/59/608044959.db2.gz IWVCQSOCNUPJNU-DGCLKSJQSA-N 0 1 390.513 1.838 20 0 GDADMN c1cc(CN2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1 ZINC000826515842 608079824 /nfs/dbraw/zinc/07/98/24/608079824.db2.gz NBMOAHNMYUXGNP-UHFFFAOYSA-N 0 1 379.468 1.848 20 0 GDADMN O=S(=O)(Nc1c(F)cccc1CO)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826492546 608095391 /nfs/dbraw/zinc/09/53/91/608095391.db2.gz QEHSUWBTBUZAPB-UHFFFAOYSA-N 0 1 385.327 1.577 20 0 GDADMN Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)c(Cl)c3)cc12 ZINC000826322209 608106894 /nfs/dbraw/zinc/10/68/94/608106894.db2.gz CPLCGYSDZHCHGU-UHFFFAOYSA-N 0 1 390.816 1.901 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000825739792 608107494 /nfs/dbraw/zinc/10/74/94/608107494.db2.gz KCQWNSNJMONIMQ-SSDOTTSWSA-N 0 1 389.807 1.017 20 0 GDADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000825739793 608107713 /nfs/dbraw/zinc/10/77/13/608107713.db2.gz KCQWNSNJMONIMQ-ZETCQYMHSA-N 0 1 389.807 1.017 20 0 GDADMN COc1ccccc1OC[C@@H](C)CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826220060 608110947 /nfs/dbraw/zinc/11/09/47/608110947.db2.gz ASNVZYCNYMRLHD-UGSOOPFHSA-N 0 1 396.451 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/nfs/dbraw/zinc/24/50/73/946245073.db2.gz KCAGUFIUENCKDT-VBHSOAQHSA-N 0 1 390.513 1.681 20 0 GDADMN O=C(c1sccc1Cl)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571299362 946248122 /nfs/dbraw/zinc/24/81/22/946248122.db2.gz LRAAOEVXQOLMQU-VIFPVBQESA-N 0 1 390.860 1.510 20 0 GDADMN C[C@H]1CN(C(=O)C2=COCCO2)CC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571299449 946252141 /nfs/dbraw/zinc/25/21/41/946252141.db2.gz WKEULQLZADMWLL-AAEUAGOBSA-N 0 1 390.469 1.143 20 0 GDADMN C[C@H]1CN(C(=O)C2=COCCO2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571299449 946252151 /nfs/dbraw/zinc/25/21/51/946252151.db2.gz WKEULQLZADMWLL-AAEUAGOBSA-N 0 1 390.469 1.143 20 0 GDADMN O=C([C@H]1CCc2cccnc21)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571299533 946253612 /nfs/dbraw/zinc/25/36/12/946253612.db2.gz SZDJEBCAKQYFRT-ZFWWWQNUSA-N 0 1 390.451 1.069 20 0 GDADMN O=C(c1cc(Cl)cs1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571299656 946256273 /nfs/dbraw/zinc/25/62/73/946256273.db2.gz OFFIRNATMHAGLV-JTQLQIEISA-N 0 1 390.860 1.510 20 0 GDADMN C[C@@H]1OCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299698 946258766 /nfs/dbraw/zinc/25/87/66/946258766.db2.gz OQRIUVWYDQKOAX-JSGCOSHPSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H]1OCC[C@@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299698 946258771 /nfs/dbraw/zinc/25/87/71/946258771.db2.gz OQRIUVWYDQKOAX-JSGCOSHPSA-N 0 1 390.513 1.824 20 0 GDADMN Cc1nsc(N2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1-c1nn[n-]n1 ZINC001571299916 946268215 /nfs/dbraw/zinc/26/82/15/946268215.db2.gz RAQMCDXHSHVVIF-CYBMUJFWSA-N 0 1 390.517 1.153 20 0 GDADMN Cc1nsc(N2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)c1-c1nn[n-]n1 ZINC001571299916 946268220 /nfs/dbraw/zinc/26/82/20/946268220.db2.gz RAQMCDXHSHVVIF-CYBMUJFWSA-N 0 1 390.517 1.153 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001571300076 946272137 /nfs/dbraw/zinc/27/21/37/946272137.db2.gz TYFVKZZEONQVEB-SCLBCKFNSA-N 0 1 390.513 1.778 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001571300076 946272146 /nfs/dbraw/zinc/27/21/46/946272146.db2.gz TYFVKZZEONQVEB-SCLBCKFNSA-N 0 1 390.513 1.778 20 0 GDADMN Cc1nsc(N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571300312 946281626 /nfs/dbraw/zinc/28/16/26/946281626.db2.gz ZJYZDZBMUBJOAJ-GXFFZTMASA-N 0 1 390.517 1.232 20 0 GDADMN O=C(c1cc(C2CC2)n[nH]1)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571303651 946342947 /nfs/dbraw/zinc/34/29/47/946342947.db2.gz VCCYECZJEBMDMG-BETUJISGSA-N 0 1 391.439 1.071 20 0 GDADMN Cc1cnccc1C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571303680 946345903 /nfs/dbraw/zinc/34/59/03/946345903.db2.gz VLMJKSKGNHPIFF-LJQANCHMSA-N 0 1 391.439 1.103 20 0 GDADMN O=C(c1cnccn1)N1CCC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571303757 946347661 /nfs/dbraw/zinc/34/76/61/946347661.db2.gz XFVOOJDEJHAATE-LJQANCHMSA-N 0 1 391.439 1.184 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1-c1nn[nH]n1 ZINC001571310554 946476471 /nfs/dbraw/zinc/47/64/71/946476471.db2.gz IYOQSKQYNACRRL-IJRMOIDVSA-N 0 1 392.441 1.102 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001571310776 946478232 /nfs/dbraw/zinc/47/82/32/946478232.db2.gz MLIKGCFPJWGNIB-HOCLYGCPSA-N 0 1 392.467 1.675 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@H](NC(=O)Cc2ccccc2)C1 ZINC001571310638 946478415 /nfs/dbraw/zinc/47/84/15/946478415.db2.gz LJEIPRDYOLEDFC-SFHVURJKSA-N 0 1 392.463 1.809 20 0 GDADMN CCc1ccnc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571312656 946498994 /nfs/dbraw/zinc/49/89/94/946498994.db2.gz AAERAXCXFQZVPN-HNNXBMFYSA-N 0 1 392.467 1.666 20 0 GDADMN CCc1cccc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571313742 946529937 /nfs/dbraw/zinc/52/99/37/946529937.db2.gz VFLRQHHQZXEPAT-OAHLLOKOSA-N 0 1 392.467 1.666 20 0 GDADMN CC(=O)c1ccc(-c2nn[nH]n2)c(NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000824015410 946552744 /nfs/dbraw/zinc/55/27/44/946552744.db2.gz STLIDSIWCGIGKB-SFHVURJKSA-N 0 1 392.463 1.900 20 0 GDADMN Cc1cc(C(=O)N2CC[C@](C)(CNc3ccncc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571315868 946560198 /nfs/dbraw/zinc/56/01/98/946560198.db2.gz QFAQFRZPOPGRME-HXUWFJFHSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1cc(C)cc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1 ZINC001571316023 946564181 /nfs/dbraw/zinc/56/41/81/946564181.db2.gz SAKZKCXUUMKQHC-HOCLYGCPSA-N 0 1 392.467 1.339 20 0 GDADMN O=C(CCc1ccncn1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571316481 946579707 /nfs/dbraw/zinc/57/97/07/946579707.db2.gz DJCQKOJOFLTGDT-UHFFFAOYSA-N 0 1 392.467 1.324 20 0 GDADMN Cc1cncc(CCC(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571316793 946588132 /nfs/dbraw/zinc/58/81/32/946588132.db2.gz MTKXIJGRSUEEIX-MRXNPFEDSA-N 0 1 392.467 1.341 20 0 GDADMN Cc1nnccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571317154 946601301 /nfs/dbraw/zinc/60/13/01/946601301.db2.gz WRQLKGIQGYPYBO-BBRMVZONSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1nsc(N2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1-c1nn[n-]n1 ZINC001571317625 946616943 /nfs/dbraw/zinc/61/69/43/946616943.db2.gz OSHWPVJIAQTQLI-CQSZACIVSA-N 0 1 392.533 1.257 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)c1c[nH]nc1C1CC1 ZINC001571317826 946621629 /nfs/dbraw/zinc/62/16/29/946621629.db2.gz WLUOXMGOLVRNHL-HNNXBMFYSA-N 0 1 392.467 1.862 20 0 GDADMN CC(=O)Nc1cccc(CN(C)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001573547243 946828279 /nfs/dbraw/zinc/82/82/79/946828279.db2.gz YWJMDFDXYNZICV-UHFFFAOYSA-N 0 1 382.428 1.015 20 0 GDADMN C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824598790 946849000 /nfs/dbraw/zinc/84/90/00/946849000.db2.gz IWCMUOGJHFSUGV-CQSZACIVSA-N 0 1 386.481 1.637 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573591532 947312603 /nfs/dbraw/zinc/31/26/03/947312603.db2.gz CJZOUSZXLSMWCA-CHWSQXEVSA-N 0 1 375.477 1.199 20 0 GDADMN CN(C)C(=O)C1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825840797 947344128 /nfs/dbraw/zinc/34/41/28/947344128.db2.gz QTUXPUPWJGZYCR-KRWDZBQOSA-N 0 1 397.483 1.162 20 0 GDADMN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)n1cccn1 ZINC001573597293 947434430 /nfs/dbraw/zinc/43/44/30/947434430.db2.gz MSOPOXSWATXTON-CYBMUJFWSA-N 0 1 388.501 1.666 20 0 GDADMN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)n1cccn1 ZINC001573597293 947434439 /nfs/dbraw/zinc/43/44/39/947434439.db2.gz MSOPOXSWATXTON-CYBMUJFWSA-N 0 1 388.501 1.666 20 0 GDADMN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)s1)n1cccn1 ZINC001573597293 947434443 /nfs/dbraw/zinc/43/44/43/947434443.db2.gz MSOPOXSWATXTON-CYBMUJFWSA-N 0 1 388.501 1.666 20 0 GDADMN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)s1)n1cccn1 ZINC001573597293 947434451 /nfs/dbraw/zinc/43/44/51/947434451.db2.gz MSOPOXSWATXTON-CYBMUJFWSA-N 0 1 388.501 1.666 20 0 GDADMN CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1(C)C ZINC000826144486 947457208 /nfs/dbraw/zinc/45/72/08/947457208.db2.gz LAYCMHSVINABIG-LPTSXCQYSA-N 0 1 376.486 1.683 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573599577 947457350 /nfs/dbraw/zinc/45/73/50/947457350.db2.gz YHUQXISJJKHKFE-CBAPKCEASA-N 0 1 385.881 1.254 20 0 GDADMN C[C@H](C(=O)N(C)CCNCc1ccc(-c2nn[nH]n2)cc1F)c1cccnc1 ZINC001573602685 947470767 /nfs/dbraw/zinc/47/07/67/947470767.db2.gz GVQNEBXOJGLWPI-ZDUSSCGKSA-N 0 1 383.431 1.753 20 0 GDADMN C[C@H](C(=O)N(C)c1ccc(Br)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573603678 947494771 /nfs/dbraw/zinc/49/47/71/947494771.db2.gz JOZRBOLGMLEICW-MRVPVSSYSA-N 0 1 377.206 1.445 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573614139 947578038 /nfs/dbraw/zinc/57/80/38/947578038.db2.gz CFQHZNIJVZPXCK-GHMZBOCLSA-N 0 1 380.403 1.020 20 0 GDADMN C[C@@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573614910 947596115 /nfs/dbraw/zinc/59/61/15/947596115.db2.gz BMRJSDNDWIPAAG-JTQLQIEISA-N 0 1 383.378 1.887 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573615182 947600719 /nfs/dbraw/zinc/60/07/19/947600719.db2.gz IQIRMAAHDLAEIS-GJZGRUSLSA-N 0 1 380.456 1.397 20 0 GDADMN C=Cc1ccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)cc1 ZINC001573351064 947608251 /nfs/dbraw/zinc/60/82/51/947608251.db2.gz JGZWLBKMQJWFRP-WFASDCNBSA-N 0 1 376.424 1.294 20 0 GDADMN C=Cc1ccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)cc1 ZINC001573351112 947611221 /nfs/dbraw/zinc/61/12/21/947611221.db2.gz KPRCXVXINQHBKW-HNNXBMFYSA-N 0 1 390.451 1.684 20 0 GDADMN C[C@@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573615923 947613580 /nfs/dbraw/zinc/61/35/80/947613580.db2.gz GPNHOKKXZXCNIV-NSHDSACASA-N 0 1 379.415 1.625 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573616968 947632665 /nfs/dbraw/zinc/63/26/65/947632665.db2.gz KHMJLRCPNDOCFO-IUODEOHRSA-N 0 1 384.419 1.154 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC001573368305 947766738 /nfs/dbraw/zinc/76/67/38/947766738.db2.gz MMCSRLKHAAAUJJ-SJCJKPOMSA-N 0 1 388.447 1.702 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573369817 947775801 /nfs/dbraw/zinc/77/58/01/947775801.db2.gz XHIDWWVSRXPRAK-HNNXBMFYSA-N 0 1 385.472 1.402 20 0 GDADMN CC(=O)CCCC(=O)N1CCC([C@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573369826 947776397 /nfs/dbraw/zinc/77/63/97/947776397.db2.gz XLKWYWWZTBJEBZ-AWEZNQCLSA-N 0 1 385.472 1.482 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573369851 947777882 /nfs/dbraw/zinc/77/78/82/947777882.db2.gz YCHQYYDADFTQGX-SWLSCSKDSA-N 0 1 385.472 1.258 20 0 GDADMN C[C@H](C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573629393 947780029 /nfs/dbraw/zinc/78/00/29/947780029.db2.gz SSBJOCAYGNZTHW-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC001573373344 947792958 /nfs/dbraw/zinc/79/29/58/947792958.db2.gz IDJIRCXRXJIKCJ-GXTWGEPZSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC001573373344 947792964 /nfs/dbraw/zinc/79/29/64/947792964.db2.gz IDJIRCXRXJIKCJ-GXTWGEPZSA-N 0 1 376.486 1.767 20 0 GDADMN C[C@@H](C(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccc1 ZINC001573637637 947819214 /nfs/dbraw/zinc/81/92/14/947819214.db2.gz LNBPDCVWOMCDNK-INIZCTEOSA-N 0 1 379.468 1.964 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573376271 947834611 /nfs/dbraw/zinc/83/46/11/947834611.db2.gz XASWHGWMABREFJ-GUYCJALGSA-N 0 1 385.472 1.482 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1(C)C ZINC001573381377 947872595 /nfs/dbraw/zinc/87/25/95/947872595.db2.gz UKTONNWQWJXABN-MRXNPFEDSA-N 0 1 385.472 1.660 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)c1cccnc1 ZINC001573647037 947883369 /nfs/dbraw/zinc/88/33/69/947883369.db2.gz AXILAPSTKWBIHL-IIAWOOMASA-N 0 1 392.467 1.389 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)n1cccc1 ZINC001573647261 947888931 /nfs/dbraw/zinc/88/89/31/947888931.db2.gz GKGBRDIEHMHCKB-SOUVJXGZSA-N 0 1 378.440 1.219 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573647681 947900909 /nfs/dbraw/zinc/90/09/09/947900909.db2.gz RUOAOTVSZHMJNQ-YUELXQCFSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C(C)(F)F ZINC001573650947 947914871 /nfs/dbraw/zinc/91/48/71/947914871.db2.gz GHSDHLQQXDGPOW-UTUOFQBUSA-N 0 1 392.414 1.233 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccn1 ZINC001573650955 947915703 /nfs/dbraw/zinc/91/57/03/947915703.db2.gz GMWCSJXXTXLEON-BMGDILEWSA-N 0 1 392.467 1.357 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C1CCC1 ZINC001573651719 947922715 /nfs/dbraw/zinc/92/27/15/947922715.db2.gz PVSQVPMKMPLWGS-CFZJUORYSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)c1ccco1 ZINC001573652894 947948558 /nfs/dbraw/zinc/94/85/58/947948558.db2.gz HZOLAQQKKHTDEN-AAEUAGOBSA-N 0 1 384.444 1.418 20 0 GDADMN C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)c1ccco1 ZINC001573652895 947949053 /nfs/dbraw/zinc/94/90/53/947949053.db2.gz HZOLAQQKKHTDEN-DGCLKSJQSA-N 0 1 384.444 1.418 20 0 GDADMN C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1)C1CC1 ZINC001573655227 947976430 /nfs/dbraw/zinc/97/64/30/947976430.db2.gz WNUCFHDREUIIRW-SWLSCSKDSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573663177 948033201 /nfs/dbraw/zinc/03/32/01/948033201.db2.gz KCDVYBGVNWJFFV-VOMCLLRMSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573667324 948096420 /nfs/dbraw/zinc/09/64/20/948096420.db2.gz YYPDCXAJPANEPH-GHMZBOCLSA-N 0 1 383.378 1.935 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573670388 948101619 /nfs/dbraw/zinc/10/16/19/948101619.db2.gz BIWJMSHHJVOSDN-VXGBXAGGSA-N 0 1 382.403 1.294 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573672738 948109625 /nfs/dbraw/zinc/10/96/25/948109625.db2.gz IUGCYKQFLNUTMQ-TZMCWYRMSA-N 0 1 383.481 1.817 20 0 GDADMN C[C@@H](C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573677462 948138612 /nfs/dbraw/zinc/13/86/12/948138612.db2.gz AUXNVBXSQJWOJK-PXAZEXFGSA-N 0 1 378.440 1.189 20 0 GDADMN C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C(F)(F)F ZINC001573680746 948186502 /nfs/dbraw/zinc/18/65/02/948186502.db2.gz RLMWXLFGWDQNFY-BDAKNGLRSA-N 0 1 384.366 1.186 20 0 GDADMN C[C@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)C(F)(F)F ZINC001573691849 948247522 /nfs/dbraw/zinc/24/75/22/948247522.db2.gz JGEYPNIUCYOITM-SECBINFHSA-N 0 1 386.353 1.943 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1F ZINC001573692884 948273214 /nfs/dbraw/zinc/27/32/14/948273214.db2.gz SXDAUGDPZWSCNP-NSHDSACASA-N 0 1 382.403 1.082 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)c1cccnc1 ZINC001573693678 948284525 /nfs/dbraw/zinc/28/45/25/948284525.db2.gz XQAGORDLTJEIDJ-ZDUSSCGKSA-N 0 1 378.440 1.333 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)s1 ZINC000826443695 948306793 /nfs/dbraw/zinc/30/67/93/948306793.db2.gz ZKQMILLKMLTZSR-OAHLLOKOSA-N 0 1 398.492 1.815 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)s1 ZINC000826443695 948306799 /nfs/dbraw/zinc/30/67/99/948306799.db2.gz ZKQMILLKMLTZSR-OAHLLOKOSA-N 0 1 398.492 1.815 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826443695 948306807 /nfs/dbraw/zinc/30/68/07/948306807.db2.gz ZKQMILLKMLTZSR-OAHLLOKOSA-N 0 1 398.492 1.815 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826443695 948306814 /nfs/dbraw/zinc/30/68/14/948306814.db2.gz ZKQMILLKMLTZSR-OAHLLOKOSA-N 0 1 398.492 1.815 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443294 948307452 /nfs/dbraw/zinc/30/74/52/948307452.db2.gz JNOIZDRPUFGQLL-KRWDZBQOSA-N 0 1 393.451 1.148 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443294 948307464 /nfs/dbraw/zinc/30/74/64/948307464.db2.gz JNOIZDRPUFGQLL-KRWDZBQOSA-N 0 1 393.451 1.148 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826443294 948307474 /nfs/dbraw/zinc/30/74/74/948307474.db2.gz JNOIZDRPUFGQLL-KRWDZBQOSA-N 0 1 393.451 1.148 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826443294 948307483 /nfs/dbraw/zinc/30/74/83/948307483.db2.gz JNOIZDRPUFGQLL-KRWDZBQOSA-N 0 1 393.451 1.148 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573702550 948346996 /nfs/dbraw/zinc/34/69/96/948346996.db2.gz FDBZRDWGZCVOCY-STQMWFEESA-N 0 1 382.428 1.386 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573704106 948365910 /nfs/dbraw/zinc/36/59/10/948365910.db2.gz PANQSFAQONHMMP-UONOGXRCSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573704105 948366795 /nfs/dbraw/zinc/36/67/95/948366795.db2.gz PANQSFAQONHMMP-KGLIPLIRSA-N 0 1 381.444 1.195 20 0 GDADMN O=C1CCN(Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CCN1 ZINC000826480422 948391633 /nfs/dbraw/zinc/39/16/33/948391633.db2.gz AOKRCMTVRNVTAI-UHFFFAOYSA-N 0 1 378.436 1.768 20 0 GDADMN C[C@@H](C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708898 948461672 /nfs/dbraw/zinc/46/16/72/948461672.db2.gz YMYWSCXQSGROTF-CQSZACIVSA-N 0 1 377.452 1.613 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573715221 948486062 /nfs/dbraw/zinc/48/60/62/948486062.db2.gz RICJTRQASATILD-VHSXEESVSA-N 0 1 384.366 1.188 20 0 GDADMN C[C@@H](C(=O)NCCN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573721260 948537802 /nfs/dbraw/zinc/53/78/02/948537802.db2.gz VYBMOCQYEPGNCH-OAHLLOKOSA-N 0 1 383.500 1.147 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573736045 948611000 /nfs/dbraw/zinc/61/10/00/948611000.db2.gz CJWQZUPXSXBKDZ-GMTAPVOTSA-N 0 1 380.403 1.209 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573739228 948618278 /nfs/dbraw/zinc/61/82/78/948618278.db2.gz BDVVTDDJVSRINV-NGFQHRJXSA-N 0 1 382.472 1.709 20 0 GDADMN CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574416154 948744228 /nfs/dbraw/zinc/74/42/28/948744228.db2.gz PQHLYGYIJLNPBX-VXGBXAGGSA-N 0 1 381.444 1.216 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679333 948776891 /nfs/dbraw/zinc/77/68/91/948776891.db2.gz SSJGQEHXJURFEY-ZFWWWQNUSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679333 948776902 /nfs/dbraw/zinc/77/69/02/948776902.db2.gz SSJGQEHXJURFEY-ZFWWWQNUSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679333 948776914 /nfs/dbraw/zinc/77/69/14/948776914.db2.gz SSJGQEHXJURFEY-ZFWWWQNUSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679333 948776925 /nfs/dbraw/zinc/77/69/25/948776925.db2.gz SSJGQEHXJURFEY-ZFWWWQNUSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](C(=O)Nc1cnn([C@@H](C)c2ccccc2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755675 948778132 /nfs/dbraw/zinc/77/81/32/948778132.db2.gz SDIMYDRIGCHXDO-RYUDHWBXSA-N 0 1 378.400 1.464 20 0 GDADMN C[C@@H](C(=O)Nc1ncc(C2CCOCC2)s1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755698 948780359 /nfs/dbraw/zinc/78/03/59/948780359.db2.gz SMAMCHSSQFFVDF-QMMMGPOBSA-N 0 1 375.418 1.008 20 0 GDADMN CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001574080155 948785172 /nfs/dbraw/zinc/78/51/72/948785172.db2.gz IMIOWLIUKUQIOU-YRGRVCCFSA-N 0 1 376.440 1.229 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001575225142 948799616 /nfs/dbraw/zinc/79/96/16/948799616.db2.gz XFCLGUWDPACIHA-CHWSQXEVSA-N 0 1 377.399 1.568 20 0 GDADMN CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575227612 948830795 /nfs/dbraw/zinc/83/07/95/948830795.db2.gz VYIZEJHRJHSMKX-UHFFFAOYSA-N 0 1 392.414 1.521 20 0 GDADMN C[C@H](CNC(=O)CCCn1cccn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574918619 948853969 /nfs/dbraw/zinc/85/39/69/948853969.db2.gz OZHAEUABFYRLHY-CYBMUJFWSA-N 0 1 386.435 1.277 20 0 GDADMN CC(C)c1ccsc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574424591 948857601 /nfs/dbraw/zinc/85/76/01/948857601.db2.gz QZHVRBYHQIQAMD-NSHDSACASA-N 0 1 384.469 1.590 20 0 GDADMN CC(C)c1nc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574424583 948858437 /nfs/dbraw/zinc/85/84/37/948858437.db2.gz QWGMSOVLJTWGIC-ZJUUUORDSA-N 0 1 387.473 1.277 20 0 GDADMN CC[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001589565693 948865294 /nfs/dbraw/zinc/86/52/94/948865294.db2.gz ZBZKENMDFIDWRR-ZWOKBUDYSA-N 0 1 376.453 1.416 20 0 GDADMN CC[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001589565693 948865315 /nfs/dbraw/zinc/86/53/15/948865315.db2.gz ZBZKENMDFIDWRR-ZWOKBUDYSA-N 0 1 376.453 1.416 20 0 GDADMN CC(F)(F)CC(=O)NC[C@H]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575232628 948878933 /nfs/dbraw/zinc/87/89/33/948878933.db2.gz FUJXRSRHNCSOKI-LLVKDONJSA-N 0 1 382.390 1.989 20 0 GDADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCCCN1C ZINC001574684776 948886599 /nfs/dbraw/zinc/88/65/99/948886599.db2.gz MOFZPRNNIYZBBV-BXUZGUMPSA-N 0 1 376.440 1.192 20 0 GDADMN CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574087928 948903349 /nfs/dbraw/zinc/90/33/49/948903349.db2.gz BMCOOBRGORPQIH-KUHUBIRLSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1CCCCO1 ZINC001574685666 948914917 /nfs/dbraw/zinc/91/49/17/948914917.db2.gz YTPNCXUZFIRCBI-BDAKNGLRSA-N 0 1 385.881 1.852 20 0 GDADMN CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001573765583 948915350 /nfs/dbraw/zinc/91/53/50/948915350.db2.gz PIXZNZHOKGBCBA-UHFFFAOYSA-N 0 1 378.440 1.283 20 0 GDADMN CC(C)c1nnc(CN[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[nH]1 ZINC001574427990 948920125 /nfs/dbraw/zinc/92/01/25/948920125.db2.gz WTHCJEOJEBLNJK-VXGBXAGGSA-N 0 1 398.475 1.267 20 0 GDADMN CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCCC1 ZINC001573765672 948920811 /nfs/dbraw/zinc/92/08/11/948920811.db2.gz WPKUOSHDVJLAMX-UHFFFAOYSA-N 0 1 384.488 1.912 20 0 GDADMN CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574432950 948946656 /nfs/dbraw/zinc/94/66/56/948946656.db2.gz QGHDGQUQIXNWBD-LBPRGKRZSA-N 0 1 381.444 1.430 20 0 GDADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089369 948955425 /nfs/dbraw/zinc/95/54/25/948955425.db2.gz JPHFAIODFDLSAQ-BFUOFWGJSA-N 0 1 384.488 1.814 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575240121 948971345 /nfs/dbraw/zinc/97/13/45/948971345.db2.gz ZQJQWBMJWHNGSY-LLVKDONJSA-N 0 1 392.414 1.567 20 0 GDADMN CC(C)[C@@H](C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001574689152 948979627 /nfs/dbraw/zinc/97/96/27/948979627.db2.gz DYCKAULYYASULJ-HIFRSBDPSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@@H](C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001574689152 948979641 /nfs/dbraw/zinc/97/96/41/948979641.db2.gz DYCKAULYYASULJ-HIFRSBDPSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573773471 948986166 /nfs/dbraw/zinc/98/61/66/948986166.db2.gz CDVYEJQQDGMEAM-GFCCVEGCSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573773471 948986181 /nfs/dbraw/zinc/98/61/81/948986181.db2.gz CDVYEJQQDGMEAM-GFCCVEGCSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091047 949003061 /nfs/dbraw/zinc/00/30/61/949003061.db2.gz MPRQTWPXDFZEJB-ZIAGYGMSSA-N 0 1 384.488 1.672 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573779448 949062645 /nfs/dbraw/zinc/06/26/45/949062645.db2.gz IIJQCQDZXRFZDX-JTQLQIEISA-N 0 1 380.403 1.281 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574694134 949071223 /nfs/dbraw/zinc/07/12/23/949071223.db2.gz LWEIBGKKHYBMLN-CZUORRHYSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H](CNC(=O)COCC1CCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574930675 949110830 /nfs/dbraw/zinc/11/08/30/949110830.db2.gz LHKZHIPMGDWHGE-ZDUSSCGKSA-N 0 1 390.463 1.807 20 0 GDADMN CC(C)c1ocnc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574446009 949115757 /nfs/dbraw/zinc/11/57/57/949115757.db2.gz FIQBSPLRDVIVST-UHFFFAOYSA-N 0 1 385.432 1.367 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCC1 ZINC001573787592 949182433 /nfs/dbraw/zinc/18/24/33/949182433.db2.gz YGPGCQJPRUQGBZ-SHTZXODSSA-N 0 1 384.488 1.585 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573791554 949218803 /nfs/dbraw/zinc/21/88/03/949218803.db2.gz BWINBJDSZSHUFV-CYBMUJFWSA-N 0 1 392.529 1.760 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573791554 949218827 /nfs/dbraw/zinc/21/88/27/949218827.db2.gz BWINBJDSZSHUFV-CYBMUJFWSA-N 0 1 392.529 1.760 20 0 GDADMN C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698936 949219764 /nfs/dbraw/zinc/21/97/64/949219764.db2.gz QERSJCDNHWINLZ-NWDGAFQWSA-N 0 1 378.502 1.680 20 0 GDADMN C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698936 949219788 /nfs/dbraw/zinc/21/97/88/949219788.db2.gz QERSJCDNHWINLZ-NWDGAFQWSA-N 0 1 378.502 1.680 20 0 GDADMN C[C@H](NC(=O)C12CC(C(C)(C)C)(C1)C2)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575255587 949237819 /nfs/dbraw/zinc/23/78/19/949237819.db2.gz RDBXGPKAHDMBRN-VMFHFQHDSA-N 0 1 384.488 1.600 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001575854638 949240296 /nfs/dbraw/zinc/24/02/96/949240296.db2.gz YLXYQKYLTKHZAI-NSHDSACASA-N 0 1 392.414 1.307 20 0 GDADMN C[C@H](c1ncccn1)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575524151 949313687 /nfs/dbraw/zinc/31/36/87/949313687.db2.gz SJAAFUJNZOTVKB-OLZOCXBDSA-N 0 1 381.444 1.188 20 0 GDADMN CC(C)n1ccc(CN[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C2CC2)n1 ZINC001574459799 949361850 /nfs/dbraw/zinc/36/18/50/949361850.db2.gz KYKGCXDCQXYUSP-INIZCTEOSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576154721 949362021 /nfs/dbraw/zinc/36/20/21/949362021.db2.gz RNEOGYHTPYNAJI-KGLIPLIRSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@H](NC(=O)[C@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263352 949393649 /nfs/dbraw/zinc/39/36/49/949393649.db2.gz GHCCZYMGEWJDLU-RYUDHWBXSA-N 0 1 376.486 1.291 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574465024 949423446 /nfs/dbraw/zinc/42/34/46/949423446.db2.gz SYMWQQRIIULSKD-ZDUSSCGKSA-N 0 1 381.444 1.295 20 0 GDADMN CC1(C(=O)N2CCC([N@H+](CCO)Cc3ccc(-c4nnn[n-]4)s3)CC2)CC1 ZINC001575535127 949439280 /nfs/dbraw/zinc/43/92/80/949439280.db2.gz SMXOSOSIBWWCGD-UHFFFAOYSA-N 0 1 390.513 1.514 20 0 GDADMN CC1(C(=O)N2CCC([N@@H+](CCO)Cc3ccc(-c4nnn[n-]4)s3)CC2)CC1 ZINC001575535127 949439291 /nfs/dbraw/zinc/43/92/91/949439291.db2.gz SMXOSOSIBWWCGD-UHFFFAOYSA-N 0 1 390.513 1.514 20 0 GDADMN CC1(C(=O)N2CCC([N@H+](CCO)Cc3ccc(-c4nn[n-]n4)s3)CC2)CC1 ZINC001575535127 949439307 /nfs/dbraw/zinc/43/93/07/949439307.db2.gz SMXOSOSIBWWCGD-UHFFFAOYSA-N 0 1 390.513 1.514 20 0 GDADMN CC1(C(=O)N2CCC([N@@H+](CCO)Cc3ccc(-c4nn[n-]n4)s3)CC2)CC1 ZINC001575535127 949439326 /nfs/dbraw/zinc/43/93/26/949439326.db2.gz SMXOSOSIBWWCGD-UHFFFAOYSA-N 0 1 390.513 1.514 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574705902 949443044 /nfs/dbraw/zinc/44/30/44/949443044.db2.gz KIPFZFFHJYQPPJ-SMDDNHRTSA-N 0 1 392.895 1.658 20 0 GDADMN CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001574469149 949472630 /nfs/dbraw/zinc/47/26/30/949472630.db2.gz XQSMXJSOUYOLTI-CYBMUJFWSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574708019 949480131 /nfs/dbraw/zinc/48/01/31/949480131.db2.gz RZGVTCBKCQHYKH-STQMWFEESA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574708019 949480143 /nfs/dbraw/zinc/48/01/43/949480143.db2.gz RZGVTCBKCQHYKH-STQMWFEESA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576157333 949481437 /nfs/dbraw/zinc/48/14/37/949481437.db2.gz PTXCQWIXONRMRV-DZGCQCFKSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccn[nH]1 ZINC001576158454 949496819 /nfs/dbraw/zinc/49/68/19/949496819.db2.gz SUJDAVLFPCQDGQ-SGTLLEGYSA-N 0 1 381.444 1.198 20 0 GDADMN CC(C)CC(=O)NC[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1 ZINC001574121482 949516986 /nfs/dbraw/zinc/51/69/86/949516986.db2.gz RHRYJBVWVDDGNU-MRXNPFEDSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)CC(C)(C)O ZINC001576160043 949525858 /nfs/dbraw/zinc/52/58/58/949525858.db2.gz YZQZVIVTCYXWDY-BFUOFWGJSA-N 0 1 387.488 1.322 20 0 GDADMN C[C@H]1CCCN(C(=O)C2=CCCC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163862 949540773 /nfs/dbraw/zinc/54/07/73/949540773.db2.gz DENMVOLCLXMJIF-DZGCQCFKSA-N 0 1 382.472 1.618 20 0 GDADMN C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575269242 949542911 /nfs/dbraw/zinc/54/29/11/949542911.db2.gz SMVMPVZVZZHOPW-DZGCQCFKSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575540354 949569539 /nfs/dbraw/zinc/56/95/39/949569539.db2.gz XCTMHGJAHIDMQB-FZKQIMNGSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575540354 949569553 /nfs/dbraw/zinc/56/95/53/949569553.db2.gz XCTMHGJAHIDMQB-FZKQIMNGSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574475811 949577716 /nfs/dbraw/zinc/57/77/16/949577716.db2.gz BZFUCSHETCLANL-WBMJQRKESA-N 0 1 390.463 1.351 20 0 GDADMN CC1(C(=O)N2CCCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CCCC1 ZINC001575544450 949582945 /nfs/dbraw/zinc/58/29/45/949582945.db2.gz CVRJQAKFLUGCPN-CQSZACIVSA-N 0 1 385.472 1.293 20 0 GDADMN C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001576167152 949599714 /nfs/dbraw/zinc/59/97/14/949599714.db2.gz OYGYHKOFZMOBQN-WMLDXEAASA-N 0 1 387.488 1.752 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576167982 949621914 /nfs/dbraw/zinc/62/19/14/949621914.db2.gz AZPDSHZLVILFFX-GDBMZVCRSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574957746 949633613 /nfs/dbraw/zinc/63/36/13/949633613.db2.gz HHMZETOFUBUOKJ-RKHKHNFPSA-N 0 1 388.447 1.415 20 0 GDADMN C[C@]1(C(=O)N2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)CC2)CCOC1 ZINC001575547919 949646575 /nfs/dbraw/zinc/64/65/75/949646575.db2.gz KFPCDQUTXHBIGW-AWEZNQCLSA-N 0 1 383.865 1.052 20 0 GDADMN C[C@H](CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001574477263 949646818 /nfs/dbraw/zinc/64/68/18/949646818.db2.gz PNDSGTRIPIUVRK-RHSMWYFYSA-N 0 1 387.488 1.752 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001573817791 949709177 /nfs/dbraw/zinc/70/91/77/949709177.db2.gz BBIVFICYGLZZDQ-MELADBBJSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573818277 949725534 /nfs/dbraw/zinc/72/55/34/949725534.db2.gz JQYBDNQKPJQZRF-AWEZNQCLSA-N 0 1 382.428 1.041 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCc1ccon1 ZINC001573818302 949731720 /nfs/dbraw/zinc/73/17/20/949731720.db2.gz KDNQZXXPNDFEEN-OAHLLOKOSA-N 0 1 384.444 1.247 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573818741 949745288 /nfs/dbraw/zinc/74/52/88/949745288.db2.gz PDEQJSXLEIXPHJ-KWBADKCTSA-N 0 1 379.415 1.528 20 0 GDADMN C[C@@H](NC(=O)CCc1cn[nH]c1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277363 949750642 /nfs/dbraw/zinc/75/06/42/949750642.db2.gz QDOABDBWDPKXMN-CYBMUJFWSA-N 0 1 380.456 1.159 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574721081 949811272 /nfs/dbraw/zinc/81/12/72/949811272.db2.gz IYBJPSRNSHUQAO-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574721081 949811289 /nfs/dbraw/zinc/81/12/89/949811289.db2.gz IYBJPSRNSHUQAO-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574722181 949830030 /nfs/dbraw/zinc/83/00/30/949830030.db2.gz QULDNNSCUPGHMV-CQSZACIVSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575885036 949861069 /nfs/dbraw/zinc/86/10/69/949861069.db2.gz KCODRABMTMUSSB-GXSJLCMTSA-N 0 1 387.835 1.426 20 0 GDADMN CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001573825245 949869996 /nfs/dbraw/zinc/86/99/96/949869996.db2.gz OEINGENAELDVQW-BQBZGAKWSA-N 0 1 389.869 1.256 20 0 GDADMN C[C@@H](CN(C)C(=O)COC(C)(C)C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574726175 949924107 /nfs/dbraw/zinc/92/41/07/949924107.db2.gz GINYBYNHVYNIAQ-LBPRGKRZSA-N 0 1 378.452 1.757 20 0 GDADMN C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180512 949962331 /nfs/dbraw/zinc/96/23/31/949962331.db2.gz DVHXZPDIBDOOQK-KBPBESRZSA-N 0 1 387.463 1.720 20 0 GDADMN C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180605 949963520 /nfs/dbraw/zinc/96/35/20/949963520.db2.gz FMDJAIFQEURVPZ-QWRGUYRKSA-N 0 1 380.403 1.020 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180921 949979537 /nfs/dbraw/zinc/97/95/37/949979537.db2.gz FZHKVMLNNKHDMI-ZIAGYGMSSA-N 0 1 381.440 1.416 20 0 GDADMN C[C@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575286966 949989006 /nfs/dbraw/zinc/98/90/06/949989006.db2.gz YQIOILSTEZECAF-LSDHHAIUSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181328 949997924 /nfs/dbraw/zinc/99/79/24/949997924.db2.gz TUTAASNBEKMWTM-RYUDHWBXSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181436 950008883 /nfs/dbraw/zinc/00/88/83/950008883.db2.gz IFWIBEVYKBHLSX-HIFRSBDPSA-N 0 1 381.440 1.416 20 0 GDADMN C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1c2ccccc2sc1-c1nnn[n-]1 ZINC001576181645 950012475 /nfs/dbraw/zinc/01/24/75/950012475.db2.gz VTNIPJMQKPJFIW-LLVKDONJSA-N 0 1 392.510 1.844 20 0 GDADMN C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182002 950029542 /nfs/dbraw/zinc/02/95/42/950029542.db2.gz KHDFIFUGLXRSEK-KGLIPLIRSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001574491789 950046224 /nfs/dbraw/zinc/04/62/24/950046224.db2.gz FZPXGEWZPXOEND-CYBMUJFWSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@@H](CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574492456 950080435 /nfs/dbraw/zinc/08/04/35/950080435.db2.gz MXNMELMIBYHIQS-HLIUYOAVSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574492384 950084431 /nfs/dbraw/zinc/08/44/31/950084431.db2.gz AMYOCWCSDWXSMN-KGLIPLIRSA-N 0 1 380.456 1.791 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1csnn1 ZINC001574151821 950092187 /nfs/dbraw/zinc/09/21/87/950092187.db2.gz YTVWBZSYHHQZRW-SNVBAGLBSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1csnn1 ZINC001574151821 950092208 /nfs/dbraw/zinc/09/22/08/950092208.db2.gz YTVWBZSYHHQZRW-SNVBAGLBSA-N 0 1 392.514 1.714 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cc(Cl)ccc1F ZINC001574976970 950108564 /nfs/dbraw/zinc/10/85/64/950108564.db2.gz DJYQNIOSAMCNDP-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899477 950170494 /nfs/dbraw/zinc/17/04/94/950170494.db2.gz WRQPLJLRLJZUMX-CZUORRHYSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@H]1[C@H](NCc2cc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575900923 950209676 /nfs/dbraw/zinc/20/96/76/950209676.db2.gz JQPIXGNMXZSPFK-IINYFYTJSA-N 0 1 382.428 1.453 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c(F)ccc(F)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574739963 950213144 /nfs/dbraw/zinc/21/31/44/950213144.db2.gz AHZQRZFBUIOLKB-QMMMGPOBSA-N 0 1 392.345 1.069 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574156207 950233133 /nfs/dbraw/zinc/23/31/33/950233133.db2.gz YXTKWTDDYYGWPV-KGLIPLIRSA-N 0 1 383.460 1.084 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575588006 950245904 /nfs/dbraw/zinc/24/59/04/950245904.db2.gz PDGSTWURHZPYTK-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575588006 950245918 /nfs/dbraw/zinc/24/59/18/950245918.db2.gz PDGSTWURHZPYTK-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575588006 950245936 /nfs/dbraw/zinc/24/59/36/950245936.db2.gz PDGSTWURHZPYTK-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575588006 950245953 /nfs/dbraw/zinc/24/59/53/950245953.db2.gz PDGSTWURHZPYTK-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904673 950282118 /nfs/dbraw/zinc/28/21/18/950282118.db2.gz ACHBILAGEABFLO-SWLSCSKDSA-N 0 1 383.481 1.645 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cccnc1 ZINC001575904673 950282139 /nfs/dbraw/zinc/28/21/39/950282139.db2.gz ACHBILAGEABFLO-SWLSCSKDSA-N 0 1 383.481 1.645 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905365 950291668 /nfs/dbraw/zinc/29/16/68/950291668.db2.gz BZBIVGVSAZNCQL-AAEUAGOBSA-N 0 1 392.485 1.160 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905365 950291688 /nfs/dbraw/zinc/29/16/88/950291688.db2.gz BZBIVGVSAZNCQL-AAEUAGOBSA-N 0 1 392.485 1.160 20 0 GDADMN CC1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCC2(F)F)CCC1 ZINC001575592880 950301314 /nfs/dbraw/zinc/30/13/14/950301314.db2.gz CYXWYSMIANEKMA-LLVKDONJSA-N 0 1 392.414 1.425 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574159321 950301633 /nfs/dbraw/zinc/30/16/33/950301633.db2.gz WILDUOZWGFBOAL-SRVKXCTJSA-N 0 1 379.415 1.528 20 0 GDADMN CC1(C(=O)NCCN2CCC(Nc3ncccc3-c3nn[nH]n3)CC2)CCC1 ZINC001575593257 950304970 /nfs/dbraw/zinc/30/49/70/950304970.db2.gz NCSXMZNLOMSKQN-UHFFFAOYSA-N 0 1 384.488 1.444 20 0 GDADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159359 950306222 /nfs/dbraw/zinc/30/62/22/950306222.db2.gz GCQYITIHPRIIHI-CZUORRHYSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159359 950306246 /nfs/dbraw/zinc/30/62/46/950306246.db2.gz GCQYITIHPRIIHI-CZUORRHYSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(Cl)o1 ZINC001574159705 950314068 /nfs/dbraw/zinc/31/40/68/950314068.db2.gz YBWJGNNQLQIAEY-SNVBAGLBSA-N 0 1 390.835 1.582 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574501243 950325415 /nfs/dbraw/zinc/32/54/15/950325415.db2.gz CCQAYXGMLPOTAL-CABCVRRESA-N 0 1 392.467 1.793 20 0 GDADMN C[C@H]1CCN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576194507 950346659 /nfs/dbraw/zinc/34/66/59/950346659.db2.gz ZNFWSZCMLCATHO-NWDGAFQWSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@H]1CCN(C(=O)c2cnco2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576194507 950346682 /nfs/dbraw/zinc/34/66/82/950346682.db2.gz ZNFWSZCMLCATHO-NWDGAFQWSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@H]1CCN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576194508 950349930 /nfs/dbraw/zinc/34/99/30/950349930.db2.gz ZNFWSZCMLCATHO-RYUDHWBXSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@H]1CCN(C(=O)c2cnco2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576194508 950349946 /nfs/dbraw/zinc/34/99/46/950349946.db2.gz ZNFWSZCMLCATHO-RYUDHWBXSA-N 0 1 387.469 1.804 20 0 GDADMN CC(C)n1ccc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C)n1 ZINC001575909056 950386208 /nfs/dbraw/zinc/38/62/08/950386208.db2.gz FODOMCKEAYXNDK-GXTWGEPZSA-N 0 1 383.460 1.365 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)CCNc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001576197274 950388593 /nfs/dbraw/zinc/38/85/93/950388593.db2.gz MMCNQPVPXRTKRH-VIFPVBQESA-N 0 1 384.897 1.189 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N(C)CCNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001576197274 950388653 /nfs/dbraw/zinc/38/86/53/950388653.db2.gz MMCNQPVPXRTKRH-VIFPVBQESA-N 0 1 384.897 1.189 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)CCNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001576197274 950388666 /nfs/dbraw/zinc/38/86/66/950388666.db2.gz MMCNQPVPXRTKRH-VIFPVBQESA-N 0 1 384.897 1.189 20 0 GDADMN CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001575599446 950432514 /nfs/dbraw/zinc/43/25/14/950432514.db2.gz JOTHZUHWNQSISQ-HZPDHXFCSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576203782 950447858 /nfs/dbraw/zinc/44/78/58/950447858.db2.gz JJBBFRRDOBAFOX-ZIAGYGMSSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576203782 950447867 /nfs/dbraw/zinc/44/78/67/950447867.db2.gz JJBBFRRDOBAFOX-ZIAGYGMSSA-N 0 1 387.463 1.433 20 0 GDADMN CC(C)CC1(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCC1 ZINC001574166096 950459080 /nfs/dbraw/zinc/45/90/80/950459080.db2.gz LOCIGDNVFXQRPK-UHFFFAOYSA-N 0 1 384.488 1.912 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001574166654 950470730 /nfs/dbraw/zinc/47/07/30/950470730.db2.gz VBVLBCYFDYDARW-CYBMUJFWSA-N 0 1 392.529 1.711 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001574166654 950470743 /nfs/dbraw/zinc/47/07/43/950470743.db2.gz VBVLBCYFDYDARW-CYBMUJFWSA-N 0 1 392.529 1.711 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574752304 950478443 /nfs/dbraw/zinc/47/84/43/950478443.db2.gz AKUOPXITAVVGAF-LBPRGKRZSA-N 0 1 381.444 1.170 20 0 GDADMN CC1CCN(CC(=O)NCC2(Nc3ccc(-c4nn[nH]n4)nc3)CCC2)CC1 ZINC001576204809 950480290 /nfs/dbraw/zinc/48/02/90/950480290.db2.gz CQUXBNHOELOUCM-UHFFFAOYSA-N 0 1 384.488 1.444 20 0 GDADMN C[C@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205286 950507604 /nfs/dbraw/zinc/50/76/04/950507604.db2.gz WMUFLFXKKOTTIW-UONOGXRCSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573866722 950509864 /nfs/dbraw/zinc/50/98/64/950509864.db2.gz KFRQKWNFZMWRKE-AWEZNQCLSA-N 0 1 376.436 1.511 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1ccncc1-c1nn[nH]n1 ZINC001574753381 950522963 /nfs/dbraw/zinc/52/29/63/950522963.db2.gz LWLUZJMGRJRCKF-LBPRGKRZSA-N 0 1 379.424 1.191 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753552 950531174 /nfs/dbraw/zinc/53/11/74/950531174.db2.gz PBILSJUZIGZSLM-ZDUSSCGKSA-N 0 1 380.456 1.322 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001575614892 950555952 /nfs/dbraw/zinc/55/59/52/950555952.db2.gz UTHJUTGULWLEAW-RDBSUJKOSA-N 0 1 382.472 1.853 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207031 950591089 /nfs/dbraw/zinc/59/10/89/950591089.db2.gz BPMHZCNNRVMIDO-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207031 950591105 /nfs/dbraw/zinc/59/11/05/950591105.db2.gz BPMHZCNNRVMIDO-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207031 950591127 /nfs/dbraw/zinc/59/11/27/950591127.db2.gz BPMHZCNNRVMIDO-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207031 950591148 /nfs/dbraw/zinc/59/11/48/950591148.db2.gz BPMHZCNNRVMIDO-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575000069 950592574 /nfs/dbraw/zinc/59/25/74/950592574.db2.gz OUCKKVPUDVZXCH-JTQLQIEISA-N 0 1 384.419 1.514 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576207420 950596564 /nfs/dbraw/zinc/59/65/64/950596564.db2.gz HTTWKJLPPGBACC-QLFBSQMISA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576207420 950596578 /nfs/dbraw/zinc/59/65/78/950596578.db2.gz HTTWKJLPPGBACC-QLFBSQMISA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)no1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575000431 950602649 /nfs/dbraw/zinc/60/26/49/950602649.db2.gz DCKRNDSJDPEYAK-QMMMGPOBSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)no1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575000431 950602660 /nfs/dbraw/zinc/60/26/60/950602660.db2.gz DCKRNDSJDPEYAK-QMMMGPOBSA-N 0 1 381.849 1.820 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575001480 950631580 /nfs/dbraw/zinc/63/15/80/950631580.db2.gz LHBOIAORNSPICA-MRVPVSSYSA-N 0 1 378.849 1.626 20 0 GDADMN CC1(C)C(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001575620425 950631545 /nfs/dbraw/zinc/63/15/45/950631545.db2.gz XSVHPCMQLXOHKN-LBPRGKRZSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC001575920279 950632362 /nfs/dbraw/zinc/63/23/62/950632362.db2.gz MDSMKFHKHSXPIK-TZMCWYRMSA-N 0 1 384.488 1.696 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1ccccc1 ZINC001575924526 950675168 /nfs/dbraw/zinc/67/51/68/950675168.db2.gz FMLWUSBVTSWNKE-XJKSGUPXSA-N 0 1 379.424 1.164 20 0 GDADMN CC1(C)CC(C(=O)N2CCCC[C@@H]2CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575625841 950695424 /nfs/dbraw/zinc/69/54/24/950695424.db2.gz YABFEVINILRMEI-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573878191 950701816 /nfs/dbraw/zinc/70/18/16/950701816.db2.gz KOGRBMLQTWGTEJ-RRFJBIMHSA-N 0 1 390.463 1.255 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573878319 950704392 /nfs/dbraw/zinc/70/43/92/950704392.db2.gz LUJGTXRTDPACPV-ZIAGYGMSSA-N 0 1 384.488 1.672 20 0 GDADMN CC(C)n1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001574763531 950720007 /nfs/dbraw/zinc/72/00/07/950720007.db2.gz DHWHMQNWGRJBOQ-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001574763531 950720028 /nfs/dbraw/zinc/72/00/28/950720028.db2.gz DHWHMQNWGRJBOQ-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC001575927126 950736442 /nfs/dbraw/zinc/73/64/42/950736442.db2.gz NRPKOPQTFBLBOU-IUODEOHRSA-N 0 1 392.467 1.606 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574521008 950760850 /nfs/dbraw/zinc/76/08/50/950760850.db2.gz CGQVWQBXVHVDMC-DPXGPQMFSA-N 0 1 376.486 1.194 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574521008 950760862 /nfs/dbraw/zinc/76/08/62/950760862.db2.gz CGQVWQBXVHVDMC-DPXGPQMFSA-N 0 1 376.486 1.194 20 0 GDADMN COC[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000312605544 950764293 /nfs/dbraw/zinc/76/42/93/950764293.db2.gz SZKPDWNDCPJRPO-FXAWDEMLSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574764932 950765953 /nfs/dbraw/zinc/76/59/53/950765953.db2.gz ADZQQDIPNWRVDF-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574765220 950778184 /nfs/dbraw/zinc/77/81/84/950778184.db2.gz AKRVDMXQEGJVMF-LLVKDONJSA-N 0 1 384.444 1.542 20 0 GDADMN CC1(C)CC(CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575633288 950812236 /nfs/dbraw/zinc/81/22/36/950812236.db2.gz RGYKAHGVDVJTPS-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576220085 950821882 /nfs/dbraw/zinc/82/18/82/950821882.db2.gz QIFIHFNYNRTSML-QWRGUYRKSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576222079 950863241 /nfs/dbraw/zinc/86/32/41/950863241.db2.gz XGJIFZDORRARPS-CXAGYDPISA-N 0 1 392.467 1.315 20 0 GDADMN CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001576222217 950867737 /nfs/dbraw/zinc/86/77/37/950867737.db2.gz XZKYMAGIXTZHJG-CQSZACIVSA-N 0 1 385.472 1.504 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639480 950869250 /nfs/dbraw/zinc/86/92/50/950869250.db2.gz BXFQCEGMMZXZQJ-LLVKDONJSA-N 0 1 383.416 1.070 20 0 GDADMN CC(C)CCCC(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574189892 950904705 /nfs/dbraw/zinc/90/47/05/950904705.db2.gz SPSACUGRSVQOAH-UHFFFAOYSA-N 0 1 387.488 1.536 20 0 GDADMN C[C@@H]1[C@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c[nH]nc21 ZINC001575936442 950912821 /nfs/dbraw/zinc/91/28/21/950912821.db2.gz DVPNGPAZIMYZII-IAQYHMDHSA-N 0 1 389.423 1.853 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575644740 950994958 /nfs/dbraw/zinc/99/49/58/950994958.db2.gz WQBIMWWXRQFYOR-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575644740 950994991 /nfs/dbraw/zinc/99/49/91/950994991.db2.gz WQBIMWWXRQFYOR-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575020084 951051822 /nfs/dbraw/zinc/05/18/22/951051822.db2.gz XRLSZUBBIMTNHZ-SNVBAGLBSA-N 0 1 388.382 1.494 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024152 951092117 /nfs/dbraw/zinc/09/21/17/951092117.db2.gz WJBUQVSJIFFDEL-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024586 951110647 /nfs/dbraw/zinc/11/06/47/951110647.db2.gz IEWUWWNNIDCWSE-LBPRGKRZSA-N 0 1 378.440 1.400 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)[C@H]2CC[C@H]2OC)c(C(=O)[O-])c1C ZINC001591425936 951134827 /nfs/dbraw/zinc/13/48/27/951134827.db2.gz KDFVJCVYRGBLAT-WDEREUQCSA-N 0 1 384.454 1.979 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)[C@H]2CC[C@H]2OC)c(C(=O)[O-])c1C ZINC001591425936 951134830 /nfs/dbraw/zinc/13/48/30/951134830.db2.gz KDFVJCVYRGBLAT-WDEREUQCSA-N 0 1 384.454 1.979 20 0 GDADMN C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCS(=O)(=O)CC(=O)[O-] ZINC000368568896 951144283 /nfs/dbraw/zinc/14/42/83/951144283.db2.gz SUABXJOMDRGFFT-UHFFFAOYSA-N 0 1 383.445 1.580 20 0 GDADMN C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCS(=O)(=O)CC(=O)[O-] ZINC000368568896 951144301 /nfs/dbraw/zinc/14/43/01/951144301.db2.gz SUABXJOMDRGFFT-UHFFFAOYSA-N 0 1 383.445 1.580 20 0 GDADMN C[C@H](CNC(=O)c1ccccc1C1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575029750 951189654 /nfs/dbraw/zinc/18/96/54/951189654.db2.gz XHOUCHJAYOKPDX-GFCCVEGCSA-N 0 1 378.440 1.577 20 0 GDADMN C[C@H](CNC(=O)c1ccn(C)n1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575036708 951302115 /nfs/dbraw/zinc/30/21/15/951302115.db2.gz WLGFFXCOGIRRLZ-SSDOTTSWSA-N 0 1 381.853 1.188 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C2CC2)o1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575043984 951408291 /nfs/dbraw/zinc/40/82/91/951408291.db2.gz NLBPMJHAEKEPSM-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN CC(C)c1ncc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001575044549 951415830 /nfs/dbraw/zinc/41/58/30/951415830.db2.gz SIMPAAJEYQITJB-JTQLQIEISA-N 0 1 387.473 1.137 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575044785 951418852 /nfs/dbraw/zinc/41/88/52/951418852.db2.gz VAJSIAQYLXLNMP-LLVKDONJSA-N 0 1 379.428 1.184 20 0 GDADMN C[C@H](CNC(=O)c1cnccn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575046450 951440267 /nfs/dbraw/zinc/44/02/67/951440267.db2.gz OJWGAHDAZUNCHX-SSDOTTSWSA-N 0 1 379.837 1.245 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575053687 951480833 /nfs/dbraw/zinc/48/08/33/951480833.db2.gz UKHWDMUZJMVLIB-LBPRGKRZSA-N 0 1 383.460 1.113 20 0 GDADMN C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575061645 951560024 /nfs/dbraw/zinc/56/00/24/951560024.db2.gz PFEQBWYELGUBQI-QMMMGPOBSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@H](CNC(=O)c1nccs1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575066540 951597044 /nfs/dbraw/zinc/59/70/44/951597044.db2.gz GHOLWRUIYBTTGT-ZCFIWIBFSA-N 0 1 384.878 1.688 20 0 GDADMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000398779945 951610403 /nfs/dbraw/zinc/61/04/03/951610403.db2.gz JQRJXUMEKJUVQD-MNOVXSKESA-N 0 1 380.242 2.000 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1=O ZINC001595074790 951637834 /nfs/dbraw/zinc/63/78/34/951637834.db2.gz WPOKEAATCXRQMW-QZTJIDSGSA-N 0 1 387.480 1.275 20 0 GDADMN O=C([O-])CN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1=O ZINC001595074790 951637840 /nfs/dbraw/zinc/63/78/40/951637840.db2.gz WPOKEAATCXRQMW-QZTJIDSGSA-N 0 1 387.480 1.275 20 0 GDADMN CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575069239 951641605 /nfs/dbraw/zinc/64/16/05/951641605.db2.gz HJUZYEBIXSUAGR-SNVBAGLBSA-N 0 1 387.473 1.137 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCOC1 ZINC001575089591 951751341 /nfs/dbraw/zinc/75/13/41/951751341.db2.gz GVXHKAVJPGWHIX-DOMZBBRYSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cscn1 ZINC001575089883 951755008 /nfs/dbraw/zinc/75/50/08/951755008.db2.gz IFKOHVBWQOMBCO-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC1(F)F ZINC001575090092 951757329 /nfs/dbraw/zinc/75/73/29/951757329.db2.gz JIXQKHNFRKKBDN-GXFFZTMASA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cccc(=O)[nH]1 ZINC001575091935 951787799 /nfs/dbraw/zinc/78/77/99/951787799.db2.gz ZGPVAFBJSNVXJM-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN O=C([O-])CN1CCCC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1=O ZINC001595097302 951830630 /nfs/dbraw/zinc/83/06/30/951830630.db2.gz XRRFXPCYDCRDHA-LJQANCHMSA-N 0 1 391.487 1.888 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ncccn1 ZINC001575099355 951832944 /nfs/dbraw/zinc/83/29/44/951832944.db2.gz KNJLYPXBOVOOKG-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ncccn1 ZINC001575099355 951832957 /nfs/dbraw/zinc/83/29/57/951832957.db2.gz KNJLYPXBOVOOKG-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575102689 951870309 /nfs/dbraw/zinc/87/03/09/951870309.db2.gz OLPRCKNLDMCUOK-LLVKDONJSA-N 0 1 385.497 1.995 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575102689 951870316 /nfs/dbraw/zinc/87/03/16/951870316.db2.gz OLPRCKNLDMCUOK-LLVKDONJSA-N 0 1 385.497 1.995 20 0 GDADMN C[C@@H](CNCc1nc2c(o1)CCCC2)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575118237 951983775 /nfs/dbraw/zinc/98/37/75/951983775.db2.gz RIEWTPDCWXIJMC-NSHDSACASA-N 0 1 384.444 1.217 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575136909 952130488 /nfs/dbraw/zinc/13/04/88/952130488.db2.gz ROJWZQKJDQZYGM-GOSISDBHSA-N 0 1 382.472 1.356 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001575141430 952145099 /nfs/dbraw/zinc/14/50/99/952145099.db2.gz HGLHSGQSUYWUII-GXTWGEPZSA-N 0 1 390.467 1.646 20 0 GDADMN C[C@H]1CC[C@H](C(=O)N[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)CC1 ZINC001575142094 952145711 /nfs/dbraw/zinc/14/57/11/952145711.db2.gz ITTJIYLDWFGILJ-JMERFSKESA-N 0 1 384.488 1.602 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575143540 952154837 /nfs/dbraw/zinc/15/48/37/952154837.db2.gz BCQVEXPZHDPXIJ-MRXNPFEDSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc2cc[nH]c21 ZINC001575144071 952161155 /nfs/dbraw/zinc/16/11/55/952161155.db2.gz FYPDDTPWJALGFP-LLVKDONJSA-N 0 1 377.412 1.133 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnns1 ZINC001575165302 952306097 /nfs/dbraw/zinc/30/60/97/952306097.db2.gz NETSWFHTIBWYIZ-RXMQYKEDSA-N 0 1 385.866 1.401 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)Cc1cccnc1 ZINC001575166437 952325505 /nfs/dbraw/zinc/32/55/05/952325505.db2.gz WCXDWDZVOQODCO-SECBINFHSA-N 0 1 392.876 1.873 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1nccs1 ZINC001571118096 952486711 /nfs/dbraw/zinc/48/67/11/952486711.db2.gz USJCAQNCGRUFGN-KOLCDFICSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1nccs1 ZINC001571118096 952486715 /nfs/dbraw/zinc/48/67/15/952486715.db2.gz USJCAQNCGRUFGN-KOLCDFICSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nc2)CCC1 ZINC001575199291 952488318 /nfs/dbraw/zinc/48/83/18/952488318.db2.gz BRQJCVWCBPECRI-GFCCVEGCSA-N 0 1 381.444 1.314 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001575201626 952505483 /nfs/dbraw/zinc/50/54/83/952505483.db2.gz JCVGKSNAZLQWPZ-AWEZNQCLSA-N 0 1 380.456 1.113 20 0 GDADMN NC(=O)[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1c1ccccc1 ZINC001571121008 952513423 /nfs/dbraw/zinc/51/34/23/952513423.db2.gz UTLFGGFAJVWZLP-VHSXEESVSA-N 0 1 375.845 1.682 20 0 GDADMN C[NH+]1CCC2(CCN(C(=O)NCc3ccc(-c4nn[n-]n4)s3)CC2)CC1 ZINC001571120973 952513648 /nfs/dbraw/zinc/51/36/48/952513648.db2.gz SQMLCJQFFGUNLK-UHFFFAOYSA-N 0 1 375.502 1.946 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H](C)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575203326 952520647 /nfs/dbraw/zinc/52/06/47/952520647.db2.gz TZWDRXRBOQBGMM-GHMZBOCLSA-N 0 1 387.423 1.262 20 0 GDADMN O=C(C[C@@H]1CCCO1)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571123092 952527323 /nfs/dbraw/zinc/52/73/23/952527323.db2.gz OCUNLNGOEOSGPW-OLZOCXBDSA-N 0 1 376.486 1.578 20 0 GDADMN CC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC001571123419 952530829 /nfs/dbraw/zinc/53/08/29/952530829.db2.gz RSGXPSLXVFTWGF-ZDUSSCGKSA-N 0 1 376.486 1.435 20 0 GDADMN CC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC001571123419 952530833 /nfs/dbraw/zinc/53/08/33/952530833.db2.gz RSGXPSLXVFTWGF-ZDUSSCGKSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123743 952532359 /nfs/dbraw/zinc/53/23/59/952532359.db2.gz VSANNKJNAXRDCI-RYUDHWBXSA-N 0 1 376.486 1.312 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123743 952532364 /nfs/dbraw/zinc/53/23/64/952532364.db2.gz VSANNKJNAXRDCI-RYUDHWBXSA-N 0 1 376.486 1.312 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001571124113 952533868 /nfs/dbraw/zinc/53/38/68/952533868.db2.gz YZHXZTCWZWMYDB-LBPRGKRZSA-N 0 1 376.486 1.266 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001571124113 952533872 /nfs/dbraw/zinc/53/38/72/952533872.db2.gz YZHXZTCWZWMYDB-LBPRGKRZSA-N 0 1 376.486 1.266 20 0 GDADMN CC(F)(F)C(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C(C)(C)C1 ZINC001575208012 952537987 /nfs/dbraw/zinc/53/79/87/952537987.db2.gz YVTYEADPZIWRLX-ZDUSSCGKSA-N 0 1 382.390 1.988 20 0 GDADMN O=C([C@@H]1CCCCC1(F)F)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571124707 952542872 /nfs/dbraw/zinc/54/28/72/952542872.db2.gz RQWCBXCDIMAKFW-AAEUAGOBSA-N 0 1 377.399 1.522 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571127222 952551287 /nfs/dbraw/zinc/55/12/87/952551287.db2.gz BSCQJDLDHGBXEA-GOSISDBHSA-N 0 1 377.452 1.965 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571128653 952570203 /nfs/dbraw/zinc/57/02/03/952570203.db2.gz WFJIGEVHDWFCBC-INIZCTEOSA-N 0 1 377.452 1.638 20 0 GDADMN COc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC3(F)F)C2)cc1-c1nn[nH]n1 ZINC001571130717 952581659 /nfs/dbraw/zinc/58/16/59/952581659.db2.gz VHGAKXQNLIENFQ-DGCLKSJQSA-N 0 1 378.383 1.221 20 0 GDADMN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cc(-c4nn[nH]n4)ccn3)C2)n1 ZINC001571134397 952589698 /nfs/dbraw/zinc/58/96/98/952589698.db2.gz HZKPBSGVIJMVQR-HNNXBMFYSA-N 0 1 378.440 1.816 20 0 GDADMN Cc1nc(C(=O)N2C[C@H]3CCN(Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)c[nH]1 ZINC001571135116 952599944 /nfs/dbraw/zinc/59/99/44/952599944.db2.gz RUOXCUGXYIRSKJ-NVXWUHKLSA-N 0 1 378.440 1.245 20 0 GDADMN CCc1[nH]ccc1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571135247 952601421 /nfs/dbraw/zinc/60/14/21/952601421.db2.gz RSXJUZRTNLALSN-HALDLXJZSA-N 0 1 378.440 1.325 20 0 GDADMN O=C(N[C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1ccc(CN2CCCC2)o1 ZINC001571136628 952615364 /nfs/dbraw/zinc/61/53/64/952615364.db2.gz TVSYJWRNHYVHNB-INIZCTEOSA-N 0 1 378.436 1.953 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001571142694 952644919 /nfs/dbraw/zinc/64/49/19/952644919.db2.gz VQQSQRQXPXXOJI-LBPRGKRZSA-N 0 1 378.502 1.512 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001571142694 952644922 /nfs/dbraw/zinc/64/49/22/952644922.db2.gz VQQSQRQXPXXOJI-LBPRGKRZSA-N 0 1 378.502 1.512 20 0 GDADMN CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](OCC)C1 ZINC001571142754 952645980 /nfs/dbraw/zinc/64/59/80/952645980.db2.gz XPEAGALIPMXFEF-TZMCWYRMSA-N 0 1 378.502 1.681 20 0 GDADMN CCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](OCC)C1 ZINC001571142754 952645984 /nfs/dbraw/zinc/64/59/84/952645984.db2.gz XPEAGALIPMXFEF-TZMCWYRMSA-N 0 1 378.502 1.681 20 0 GDADMN Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571151803 952679125 /nfs/dbraw/zinc/67/91/25/952679125.db2.gz XQXDSNOMKUYYET-FXAWDEMLSA-N 0 1 379.468 1.862 20 0 GDADMN C[C@@H](NC(=O)[C@@H]1CC1(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571152184 952681391 /nfs/dbraw/zinc/68/13/91/952681391.db2.gz CXNBKEYGMPUQAY-RNCFNFMXSA-N 0 1 380.374 1.598 20 0 GDADMN C[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cn[nH]c1 ZINC001571152641 952683268 /nfs/dbraw/zinc/68/32/68/952683268.db2.gz IWJDPTCPKAETRE-XPUUQOCRSA-N 0 1 379.837 1.415 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)c3cnccn3)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156581 952702197 /nfs/dbraw/zinc/70/21/97/952702197.db2.gz DLTRFMVEHNBCNF-QWHCGFSZSA-N 0 1 379.428 1.147 20 0 GDADMN O=C(Cc1ccoc1)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571160240 952724068 /nfs/dbraw/zinc/72/40/68/952724068.db2.gz FPUYOTMYELYCIK-UONOGXRCSA-N 0 1 380.412 1.062 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cc2c(o1)CCCC2 ZINC001571160287 952725390 /nfs/dbraw/zinc/72/53/90/952725390.db2.gz GLFWYHNFDPLTPY-GFCCVEGCSA-N 0 1 380.412 1.137 20 0 GDADMN O=C(c1cc(C2CC2)no1)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571160512 952726639 /nfs/dbraw/zinc/72/66/39/952726639.db2.gz IOOITXRECMMQEK-LBPRGKRZSA-N 0 1 380.412 1.266 20 0 GDADMN Cc1cc(NC2CCC(NC(=O)Cc3ccc[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169519 952775211 /nfs/dbraw/zinc/77/52/11/952775211.db2.gz FMGGBWRPXPXHTN-UHFFFAOYSA-N 0 1 380.456 1.402 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)c3cccn3C)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169662 952776869 /nfs/dbraw/zinc/77/68/69/952776869.db2.gz JVQVOPYANDYJGB-MRXNPFEDSA-N 0 1 380.456 1.293 20 0 GDADMN C[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1ccon1 ZINC001571172013 952799977 /nfs/dbraw/zinc/79/99/77/952799977.db2.gz KMCRTUPLTGFVFX-NKWVEPMBSA-N 0 1 380.821 1.680 20 0 GDADMN C[C@@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cocn1 ZINC001571172197 952803005 /nfs/dbraw/zinc/80/30/05/952803005.db2.gz OXQVIYPMUHAEFQ-RQJHMYQMSA-N 0 1 380.821 1.680 20 0 GDADMN Cc1ocnc1C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571172402 952806529 /nfs/dbraw/zinc/80/65/29/952806529.db2.gz VCMFEWMVAYPIHR-UHFFFAOYSA-N 0 1 380.821 1.235 20 0 GDADMN CC(C)n1cc(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571180256 952859546 /nfs/dbraw/zinc/85/95/46/952859546.db2.gz NWFSLBXYBOFXEM-UHFFFAOYSA-N 0 1 381.444 1.176 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)CCc2ccoc2)CC1 ZINC001571182707 952867621 /nfs/dbraw/zinc/86/76/21/952867621.db2.gz CFTVCXRHWNMRRC-UHFFFAOYSA-N 0 1 381.440 1.702 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571184337 952891974 /nfs/dbraw/zinc/89/19/74/952891974.db2.gz WUVFWTJHWJSGIW-CYBMUJFWSA-N 0 1 381.444 1.295 20 0 GDADMN CCCc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[nH]n4)cn3)[C@@H]2C)n[nH]1 ZINC001571184438 952893325 /nfs/dbraw/zinc/89/33/25/952893325.db2.gz ZKODFGDGIIZYEQ-FZMZJTMJSA-N 0 1 381.444 1.652 20 0 GDADMN C[C@@H](NC(=O)c1ccn(C)c1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571186581 952907898 /nfs/dbraw/zinc/90/78/98/952907898.db2.gz XOAUQXZGUMEEKX-GFCCVEGCSA-N 0 1 381.444 1.030 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)(F)F ZINC001571194251 952960091 /nfs/dbraw/zinc/96/00/91/952960091.db2.gz KMDGAZYCMPMLKT-GXFFZTMASA-N 0 1 382.390 1.988 20 0 GDADMN O=C(Cc1ccc(F)cc1)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571195749 952978945 /nfs/dbraw/zinc/97/89/45/952978945.db2.gz FPWFWYRNZXPZHS-UHFFFAOYSA-N 0 1 382.403 1.077 20 0 GDADMN CCc1cc(C(=O)N2C[C@@H](CNc3ccncc3-c3nn[nH]n3)[C@H](C)C2)no1 ZINC001571199703 953004297 /nfs/dbraw/zinc/00/42/97/953004297.db2.gz ZRSVZFKKBQZBKD-VXGBXAGGSA-N 0 1 382.428 1.054 20 0 GDADMN CCCc1nc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)co1 ZINC001571199786 953005680 /nfs/dbraw/zinc/00/56/80/953005680.db2.gz BWXCFXFBTFPPEO-LBPRGKRZSA-N 0 1 382.428 1.198 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571200493 953010100 /nfs/dbraw/zinc/01/01/00/953010100.db2.gz CPZVPAPNNKMOAM-GOSISDBHSA-N 0 1 382.428 1.574 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571200993 953013192 /nfs/dbraw/zinc/01/31/92/953013192.db2.gz HPSHUUJDBNZZCP-AWEZNQCLSA-N 0 1 382.428 1.737 20 0 GDADMN Cc1nc(C(=O)N[C@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571202300 953024521 /nfs/dbraw/zinc/02/45/21/953024521.db2.gz SVOXNLYGXSUUJO-STQMWFEESA-N 0 1 382.428 1.442 20 0 GDADMN Cc1cc(CC(=O)N(C)C2CCN(c3ccncc3-c3nn[nH]n3)CC2)no1 ZINC001571202394 953024710 /nfs/dbraw/zinc/02/47/10/953024710.db2.gz UHTPYMQCKFYHHI-UHFFFAOYSA-N 0 1 382.428 1.228 20 0 GDADMN O=C(NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571210597 953072662 /nfs/dbraw/zinc/07/26/62/953072662.db2.gz UAIBRZLIHGQAPP-XLIONFOSSA-N 0 1 382.468 1.374 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)C1(C2CC2)CC1 ZINC001571210572 953073151 /nfs/dbraw/zinc/07/31/51/953073151.db2.gz SQFLNKTWEZFXSW-FVQHAEBGSA-N 0 1 382.443 1.742 20 0 GDADMN CC1(C)CC(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571212564 953089061 /nfs/dbraw/zinc/08/90/61/953089061.db2.gz NEUHOPBJLHJSHB-TZMCWYRMSA-N 0 1 382.472 1.520 20 0 GDADMN C[C@H]1C[C@@H]1C(=O)N1CCC(N(CC2CC2)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571214317 953101649 /nfs/dbraw/zinc/10/16/49/953101649.db2.gz XCLIQBUPHQHMQQ-WFASDCNBSA-N 0 1 382.472 1.520 20 0 GDADMN O=C(N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C12CCC(CC1)C2 ZINC001571217646 953109849 /nfs/dbraw/zinc/10/98/49/953109849.db2.gz GRXHBORCUIEZBY-SHYRYGCCSA-N 0 1 382.472 1.309 20 0 GDADMN O=C(CCC1CCCC1)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571218814 953120034 /nfs/dbraw/zinc/12/00/34/953120034.db2.gz RPOGIWZCLRXZBM-GASCZTMLSA-N 0 1 382.472 1.522 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001571219923 953127691 /nfs/dbraw/zinc/12/76/91/953127691.db2.gz TUPHWRGMTUVHRA-CQSZACIVSA-N 0 1 383.412 1.210 20 0 GDADMN Cc1cc(N2C[C@@H]3CN(C(=O)C[C@H]4CCCO4)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233091 953190820 /nfs/dbraw/zinc/19/08/20/953190820.db2.gz ODOFSZMEEWZRPY-QLFBSQMISA-N 0 1 383.456 1.034 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cccnc1 ZINC001571233900 953196980 /nfs/dbraw/zinc/19/69/80/953196980.db2.gz HKHLHSOTFMZLGM-MRVWCRGKSA-N 0 1 383.481 1.864 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cccnc1 ZINC001571233900 953196982 /nfs/dbraw/zinc/19/69/82/953196982.db2.gz HKHLHSOTFMZLGM-MRVWCRGKSA-N 0 1 383.481 1.864 20 0 GDADMN Cc1ncc(C(=O)N(C)[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)s1 ZINC001571234058 953198335 /nfs/dbraw/zinc/19/83/35/953198335.db2.gz MCQVFMJUXAAOQQ-HNNXBMFYSA-N 0 1 383.481 1.978 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)Cc2ccoc2)CCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571239629 953241360 /nfs/dbraw/zinc/24/13/60/953241360.db2.gz OLMMGBXMYGXTSZ-PXAZEXFGSA-N 0 1 384.415 1.921 20 0 GDADMN CCc1nocc1CN1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571243177 953263963 /nfs/dbraw/zinc/26/39/63/953263963.db2.gz YBTZUFQQEPCIFU-UHFFFAOYSA-N 0 1 384.444 1.530 20 0 GDADMN Cc1cnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)cn1 ZINC001571245243 953271822 /nfs/dbraw/zinc/27/18/22/953271822.db2.gz QDMKBJUEZPSKRN-YPMHNXCESA-N 0 1 384.469 1.419 20 0 GDADMN Cc1ncsc1C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571245321 953272061 /nfs/dbraw/zinc/27/20/61/953272061.db2.gz RQRQDDPAVXWZFY-GFCCVEGCSA-N 0 1 384.469 1.474 20 0 GDADMN C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001571248195 953290347 /nfs/dbraw/zinc/29/03/47/953290347.db2.gz NETQFLZGWWTUTB-IRXDYDNUSA-N 0 1 384.484 1.859 20 0 GDADMN Cc1nc(CNC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)oc1C ZINC001571249355 953303924 /nfs/dbraw/zinc/30/39/24/953303924.db2.gz OVPKTAIBLMLVQV-GXTWGEPZSA-N 0 1 384.444 1.488 20 0 GDADMN CN1CCCC[C@@H]1C(=O)N1CCC[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571252050 953322862 /nfs/dbraw/zinc/32/28/62/953322862.db2.gz GGQNIDFPLNFSGM-GDBMZVCRSA-N 0 1 384.488 1.397 20 0 GDADMN Cc1nc(C(C)C)oc1CN[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571252384 953327397 /nfs/dbraw/zinc/32/73/97/953327397.db2.gz ZSEUDTAMCRTWSS-LBPRGKRZSA-N 0 1 384.444 1.619 20 0 GDADMN Cc1cc(C(=O)NC[C@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)no1 ZINC001571254517 953339655 /nfs/dbraw/zinc/33/96/55/953339655.db2.gz HAUYLIVUVWUDCN-GFCCVEGCSA-N 0 1 385.403 1.554 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(Cl)c1 ZINC001571255075 953344960 /nfs/dbraw/zinc/34/49/60/953344960.db2.gz HMKFSDZXUIVWJS-CYBMUJFWSA-N 0 1 384.831 1.709 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccc(Cl)cc1 ZINC001571255509 953349470 /nfs/dbraw/zinc/34/94/70/953349470.db2.gz MFLBWWKKUDBLJP-ZWNOBZJWSA-N 0 1 384.831 1.447 20 0 GDADMN Cc1nc(C(=O)N2CCC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)co1 ZINC001571255805 953355850 /nfs/dbraw/zinc/35/58/50/953355850.db2.gz UCUOMMYNYQOIQO-CQSZACIVSA-N 0 1 385.403 1.697 20 0 GDADMN C[N@@H+](CCCC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000430657005 953500290 /nfs/dbraw/zinc/50/02/90/953500290.db2.gz XUCZNKKESUFRBX-UHFFFAOYSA-N 0 1 397.497 1.596 20 0 GDADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000583812071 953730181 /nfs/dbraw/zinc/73/01/81/953730181.db2.gz PDDIGUMAAYVKQU-NWDGAFQWSA-N 0 1 377.397 1.291 20 0 GDADMN C[C@H](CNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000626744850 953798525 /nfs/dbraw/zinc/79/85/25/953798525.db2.gz BOIYNFHVEQHLFC-ZHALLVOQSA-N 0 1 388.512 1.949 20 0 GDADMN O=C([O-])[C@@H](C1CC1)[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000635015291 953871174 /nfs/dbraw/zinc/87/11/74/953871174.db2.gz DHGRQSGDPTYWQS-GOSISDBHSA-N 0 1 389.477 1.794 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001589324010 953886343 /nfs/dbraw/zinc/88/63/43/953886343.db2.gz PGOCGJFHIQTURP-DZXRDFMUSA-N 0 1 387.480 1.791 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000647367948 953956303 /nfs/dbraw/zinc/95/63/03/953956303.db2.gz FROYDSKYELGPJP-GWCFXTLKSA-N 0 1 376.392 1.091 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000647367948 953956315 /nfs/dbraw/zinc/95/63/15/953956315.db2.gz FROYDSKYELGPJP-GWCFXTLKSA-N 0 1 376.392 1.091 20 0 GDADMN O=C([O-])C1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCS(=O)(=O)CC1 ZINC001594859443 954265471 /nfs/dbraw/zinc/26/54/71/954265471.db2.gz IJMYCDSPMZZIBK-MRXNPFEDSA-N 0 1 394.493 1.047 20 0 GDADMN O=C([O-])C1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCS(=O)(=O)CC1 ZINC001594859443 954265484 /nfs/dbraw/zinc/26/54/84/954265484.db2.gz IJMYCDSPMZZIBK-MRXNPFEDSA-N 0 1 394.493 1.047 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@]3(C(=O)[O-])CCCO3)cc2)C[C@H](C)O1 ZINC001589399301 954399618 /nfs/dbraw/zinc/39/96/18/954399618.db2.gz OTGHAJAHDOWVJG-MDOVXXIYSA-N 0 1 376.453 1.546 20 0 GDADMN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593750957 954407703 /nfs/dbraw/zinc/40/77/03/954407703.db2.gz APBBASSMPFQSOH-INIZCTEOSA-N 0 1 394.472 1.209 20 0 GDADMN C[N@@H+](CCNC(=O)C1CCN(C(=O)CCCC(=O)[O-])CC1)Cc1ccccc1 ZINC001593751539 954419440 /nfs/dbraw/zinc/41/94/40/954419440.db2.gz XKAUCMDLGHSVLP-UHFFFAOYSA-N 0 1 389.496 1.728 20 0 GDADMN O=C([O-])C1CCC(O)(C[N@@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC001594912308 954715121 /nfs/dbraw/zinc/71/51/21/954715121.db2.gz QVFHMYJXDWJMDW-UHFFFAOYSA-N 0 1 380.872 1.990 20 0 GDADMN O=C([O-])C1CCC(O)(C[N@H+]2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC001594912308 954715128 /nfs/dbraw/zinc/71/51/28/954715128.db2.gz QVFHMYJXDWJMDW-UHFFFAOYSA-N 0 1 380.872 1.990 20 0 GDADMN CNS(=O)(=O)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1 ZINC001593801925 954854999 /nfs/dbraw/zinc/85/49/99/954854999.db2.gz LZPNMWIHNBSEJP-LSDHHAIUSA-N 0 1 392.481 1.019 20 0 GDADMN COC(=O)C1CC2(C1)CN(C(=O)NCCNc1ccc(C)c[nH+]1)C[C@@H]2C(=O)[O-] ZINC001593821608 955044511 /nfs/dbraw/zinc/04/45/11/955044511.db2.gz NGTCIYLPRQZIBV-SHYRYGCCSA-N 0 1 390.440 1.097 20 0 GDADMN Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000788860438 955345327 /nfs/dbraw/zinc/34/53/27/955345327.db2.gz JSCYKPZOVKFIJR-FUHWJXTLSA-N 0 1 384.436 1.515 20 0 GDADMN COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001593839663 955347089 /nfs/dbraw/zinc/34/70/89/955347089.db2.gz PYMDGICTSYOOBV-INIZCTEOSA-N 0 1 380.416 1.657 20 0 GDADMN COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001593839663 955347105 /nfs/dbraw/zinc/34/71/05/955347105.db2.gz PYMDGICTSYOOBV-INIZCTEOSA-N 0 1 380.416 1.657 20 0 GDADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](CCS(=O)(=O)Cc3ccccc3)C2)cn1 ZINC001594537948 955594279 /nfs/dbraw/zinc/59/42/79/955594279.db2.gz PVQIOLQZFLAMNT-IAGOWNOFSA-N 0 1 391.493 1.525 20 0 GDADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCS(=O)(=O)Cc3ccccc3)C2)cn1 ZINC001594537948 955594295 /nfs/dbraw/zinc/59/42/95/955594295.db2.gz PVQIOLQZFLAMNT-IAGOWNOFSA-N 0 1 391.493 1.525 20 0 GDADMN C[N@@H+](CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000842574616 955600105 /nfs/dbraw/zinc/60/01/05/955600105.db2.gz HCVOZVXRSQWADE-LJQANCHMSA-N 0 1 380.448 1.954 20 0 GDADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)cn1 ZINC001594539103 955612794 /nfs/dbraw/zinc/61/27/94/955612794.db2.gz UKYGKQJNVQXOSH-GJZGRUSLSA-N 0 1 377.466 1.514 20 0 GDADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)cn1 ZINC001594539103 955612799 /nfs/dbraw/zinc/61/27/99/955612799.db2.gz UKYGKQJNVQXOSH-GJZGRUSLSA-N 0 1 377.466 1.514 20 0 GDADMN Cn1nc(C(=O)[O-])cc1C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001594564175 955822279 /nfs/dbraw/zinc/82/22/79/955822279.db2.gz NYZNIODAEZHBJJ-QGZVFWFLSA-N 0 1 397.479 1.151 20 0 GDADMN Cn1nccc1[C@H](NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)[O-] ZINC001594588975 956028730 /nfs/dbraw/zinc/02/87/30/956028730.db2.gz FJRZKFSWWGSZKI-AEFFLSMTSA-N 0 1 398.467 1.652 20 0 GDADMN C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1Br)[C@@H]1C[N@@H+](C)CCN1C ZINC001589108728 956050906 /nfs/dbraw/zinc/05/09/06/956050906.db2.gz RWHSEIWCTCYYSY-YGRLFVJLSA-N 0 1 399.289 1.903 20 0 GDADMN C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000874047234 956106347 /nfs/dbraw/zinc/10/63/47/956106347.db2.gz MDHMXUDWDVLMJC-HNNXBMFYSA-N 0 1 387.480 1.980 20 0 GDADMN O=C([O-])C[NH+]1CCC(NC(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000874394315 956147349 /nfs/dbraw/zinc/14/73/49/956147349.db2.gz MWXTULYJHISCCD-UHFFFAOYSA-N 0 1 396.532 1.117 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000874411508 956187975 /nfs/dbraw/zinc/18/79/75/956187975.db2.gz PFIFEHFZONXVLT-ROUUACIJSA-N 0 1 375.469 1.702 20 0 GDADMN Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000874411508 956187984 /nfs/dbraw/zinc/18/79/84/956187984.db2.gz PFIFEHFZONXVLT-ROUUACIJSA-N 0 1 375.469 1.702 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000874411116 956188699 /nfs/dbraw/zinc/18/86/99/956188699.db2.gz LMFOUYVIKGGTDR-QRQLOZEOSA-N 0 1 389.496 1.948 20 0 GDADMN Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000874411116 956188707 /nfs/dbraw/zinc/18/87/07/956188707.db2.gz LMFOUYVIKGGTDR-QRQLOZEOSA-N 0 1 389.496 1.948 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000874412595 956190905 /nfs/dbraw/zinc/19/09/05/956190905.db2.gz ZUKOYQMEYHEQNL-UHOSZYNNSA-N 0 1 389.496 1.948 20 0 GDADMN Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000874412595 956190917 /nfs/dbraw/zinc/19/09/17/956190917.db2.gz ZUKOYQMEYHEQNL-UHOSZYNNSA-N 0 1 389.496 1.948 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000874412591 956191448 /nfs/dbraw/zinc/19/14/48/956191448.db2.gz ZUKOYQMEYHEQNL-BHIYHBOVSA-N 0 1 389.496 1.948 20 0 GDADMN 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992301468 /nfs/dbraw/zinc/30/14/68/992301468.db2.gz RIGFKXGDOFPNQM-UHFFFAOYSA-N 0 1 385.258 1.935 20 0 GDADMN C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)COCc2ocnc2C(=O)[O-])C1 ZINC001598502119 992448473 /nfs/dbraw/zinc/44/84/73/992448473.db2.gz QWWKPTBAHOLMEN-INIZCTEOSA-N 0 1 387.436 1.665 20 0 GDADMN Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001598502171 992450086 /nfs/dbraw/zinc/45/00/86/992450086.db2.gz SZJQZMCLOOIYEM-QGZVFWFLSA-N 0 1 391.493 1.661 20 0 GDADMN C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598524719 992704573 /nfs/dbraw/zinc/70/45/73/992704573.db2.gz HKTJSFUUDFAPCE-ZDUSSCGKSA-N 0 1 376.862 1.442 20 0 GDADMN CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)CC1 ZINC001591629949 992928919 /nfs/dbraw/zinc/92/89/19/992928919.db2.gz KISXBKCMTPZURN-OTWHNJEPSA-N 0 1 395.544 1.663 20 0 GDADMN CC(C)[N@@H+]1CCc2nc(NC(=O)Cn3cccc(C(=O)[O-])c3=O)sc2C1 ZINC001591635377 992945078 /nfs/dbraw/zinc/94/50/78/992945078.db2.gz MPYKGORJOGMZAD-UHFFFAOYSA-N 0 1 376.438 1.408 20 0 GDADMN CC(C)[N@H+]1CCc2nc(NC(=O)Cn3cccc(C(=O)[O-])c3=O)sc2C1 ZINC001591635377 992945084 /nfs/dbraw/zinc/94/50/84/992945084.db2.gz MPYKGORJOGMZAD-UHFFFAOYSA-N 0 1 376.438 1.408 20 0 GDADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001598554849 993043527 /nfs/dbraw/zinc/04/35/27/993043527.db2.gz CDRIVPFRFKTQEO-GPMSIDNRSA-N 0 1 384.480 1.890 20 0 GDADMN C[N@H+]1C[C@@H](OC(=O)C2(c3cncc(Br)c3)CC2)C[C@@]1(C)C(=O)[O-] ZINC001598569033 993175534 /nfs/dbraw/zinc/17/55/34/993175534.db2.gz GSVGGTUDLGBLGB-WFASDCNBSA-N 0 1 383.242 1.966 20 0 GDADMN C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC001598576123 993278456 /nfs/dbraw/zinc/27/84/56/993278456.db2.gz UOXFNEWIUIEFBT-UHFFFAOYSA-N 0 1 377.466 1.642 20 0 GDADMN CN(C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1nc(CC(=O)[O-])cs1 ZINC001598578468 993309947 /nfs/dbraw/zinc/30/99/47/993309947.db2.gz MUNCYVCOLDQXJH-UONOGXRCSA-N 0 1 377.470 1.202 20 0 GDADMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001598593244 993466258 /nfs/dbraw/zinc/46/62/58/993466258.db2.gz HBZPSFFWKYPHQC-IINYFYTJSA-N 0 1 381.379 1.544 20 0 GDADMN C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)C2)C1 ZINC001598598244 993537801 /nfs/dbraw/zinc/53/78/01/993537801.db2.gz MOCQKEICFREINP-GOSISDBHSA-N 0 1 381.379 1.546 20 0 GDADMN C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(Cl)cc3C(=O)[O-])C2)C1 ZINC001598598343 993538861 /nfs/dbraw/zinc/53/88/61/993538861.db2.gz NBNVLCQTQKXPGY-SFHVURJKSA-N 0 1 379.844 1.921 20 0 GDADMN COc1ccc(F)cc1[C@H](C)NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001599583742 993584444 /nfs/dbraw/zinc/58/44/44/993584444.db2.gz YWDMOVPDRNAARX-ORAYPTAESA-N 0 1 395.431 1.466 20 0 GDADMN C[N@H+]1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)C[C@H](C(=O)[O-])C1 ZINC001598604338 993620101 /nfs/dbraw/zinc/62/01/01/993620101.db2.gz HSXZWPGXPSEXQY-CYBMUJFWSA-N 0 1 392.843 1.797 20 0 GDADMN CN(CC(=O)N1CC[NH+](C)CC1)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598604999 993633138 /nfs/dbraw/zinc/63/31/38/993633138.db2.gz UFYYPRLHTQBVKY-UHFFFAOYSA-N 0 1 388.493 1.714 20 0 GDADMN C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@@H](C(=O)[O-])C1 ZINC001598605220 993637831 /nfs/dbraw/zinc/63/78/31/993637831.db2.gz FRGSHPQHIZTLTI-WFASDCNBSA-N 0 1 379.844 1.168 20 0 GDADMN C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3(CC(=O)[O-])CCCC3)CC2)CC1 ZINC001598605499 993645288 /nfs/dbraw/zinc/64/52/88/993645288.db2.gz LLQKZGRADFXZET-UHFFFAOYSA-N 0 1 394.516 1.217 20 0 GDADMN C[N@H+]1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C[C@H](C(=O)[O-])C1 ZINC001598607292 993687269 /nfs/dbraw/zinc/68/72/69/993687269.db2.gz OMMFWOZJZZCIAA-ZIAGYGMSSA-N 0 1 396.438 1.449 20 0 GDADMN C[C@H](NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC001593088955 993702861 /nfs/dbraw/zinc/70/28/61/993702861.db2.gz OPIRWQPVHQPLGM-XCRHUMRWSA-N 0 1 375.469 1.823 20 0 GDADMN C[C@H](NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC001593088955 993702869 /nfs/dbraw/zinc/70/28/69/993702869.db2.gz OPIRWQPVHQPLGM-XCRHUMRWSA-N 0 1 375.469 1.823 20 0 GDADMN COc1ccc(NC(=O)NC(=O)C[NH2+][C@@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001599592680 993707438 /nfs/dbraw/zinc/70/74/38/993707438.db2.gz HXSSFBMSYVFBJQ-IBGZPJMESA-N 0 1 386.408 1.718 20 0 GDADMN C[N@H+]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)C[C@H](C(=O)[O-])C1 ZINC001598608275 993715928 /nfs/dbraw/zinc/71/59/28/993715928.db2.gz WONAABRFRURZDM-KGLIPLIRSA-N 0 1 398.504 1.290 20 0 GDADMN C[N@H+]1CCN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)C[C@@H](C(=O)[O-])C1 ZINC001598609607 993743413 /nfs/dbraw/zinc/74/34/13/993743413.db2.gz MQJJLCNGFDONLY-ZDUSSCGKSA-N 0 1 389.374 1.786 20 0 GDADMN C[N@H+]1CCN(C(=O)NCc2nnc(-c3ccccc3)s2)C[C@H](C(=O)[O-])C1 ZINC001598611072 993773865 /nfs/dbraw/zinc/77/38/65/993773865.db2.gz VDHUOJFEMPOYTB-CYBMUJFWSA-N 0 1 375.454 1.363 20 0 GDADMN C[N@H+]1CCN(C(=O)Nc2nc(Cc3ccc(F)cc3)no2)C[C@@H](C(=O)[O-])C1 ZINC001598611732 993789237 /nfs/dbraw/zinc/78/92/37/993789237.db2.gz NOSMGWGLXITAAI-LBPRGKRZSA-N 0 1 377.376 1.280 20 0 GDADMN C[N@H+]1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@@H](C(=O)[O-])C1 ZINC001598613505 993831676 /nfs/dbraw/zinc/83/16/76/993831676.db2.gz WKASTASWUCOBHK-ZDUSSCGKSA-N 0 1 396.369 1.980 20 0 GDADMN CN1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC[N@@H+](C)CC1 ZINC001598614033 993843166 /nfs/dbraw/zinc/84/31/66/993843166.db2.gz JAQYWKSJTIBHDY-UHFFFAOYSA-N 0 1 394.541 1.443 20 0 GDADMN COc1ccc(OC)c([C@@H](O)C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001599603272 993848472 /nfs/dbraw/zinc/84/84/72/993848472.db2.gz GFZJPTRXFOKFSP-OXJNMPFZSA-N 0 1 379.453 1.819 20 0 GDADMN C[N@H+]1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C[C@H](C(=O)[O-])C1 ZINC001598615117 993865508 /nfs/dbraw/zinc/86/55/08/993865508.db2.gz HFOAHUMYXFXPGW-MRXNPFEDSA-N 0 1 397.479 1.636 20 0 GDADMN CN1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001598616298 993885968 /nfs/dbraw/zinc/88/59/68/993885968.db2.gz DMOFMEJMTKKHPN-UHFFFAOYSA-N 0 1 377.382 1.979 20 0 GDADMN CN1CCN(CC[N@@H+](CC(=O)[O-])Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001598616298 993885979 /nfs/dbraw/zinc/88/59/79/993885979.db2.gz DMOFMEJMTKKHPN-UHFFFAOYSA-N 0 1 377.382 1.979 20 0 GDADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+]([C@@H]2CCN(CCC(=O)[O-])C2=O)C1 ZINC001593132320 993890356 /nfs/dbraw/zinc/89/03/56/993890356.db2.gz XDCCKWBRYLKAMX-RRFJBIMHSA-N 0 1 383.489 1.687 20 0 GDADMN C[NH+]1CCN(CCCSc2nc3ccccc3c(=O)n2CCC(=O)[O-])CC1 ZINC001598617682 993921902 /nfs/dbraw/zinc/92/19/02/993921902.db2.gz BWDRURYIBIIAND-UHFFFAOYSA-N 0 1 390.509 1.601 20 0 GDADMN CN1CCN(c2cccc(Cl)c2C[NH2+]CCn2cc(C(=O)[O-])nn2)CC1 ZINC001598623071 994040481 /nfs/dbraw/zinc/04/04/81/994040481.db2.gz UPXGAHQSWOGUJD-UHFFFAOYSA-N 0 1 378.864 1.171 20 0 GDADMN C[C@@]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)(C(=O)[O-])c1ccccc1 ZINC001593232134 994381721 /nfs/dbraw/zinc/38/17/21/994381721.db2.gz UGYTZHUBZLJPBV-FQEVSTJZSA-N 0 1 385.420 1.154 20 0 GDADMN CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](Cc2cncs2)C(=O)[O-])c1 ZINC001598659974 994580517 /nfs/dbraw/zinc/58/05/17/994580517.db2.gz AMYAJDWTBKLXGW-IINYFYTJSA-N 0 1 376.438 1.115 20 0 GDADMN COc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001599665031 994715161 /nfs/dbraw/zinc/71/51/61/994715161.db2.gz OEFVIVIRVUSLDA-MRXNPFEDSA-N 0 1 376.434 1.729 20 0 GDADMN COc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001599666487 994738241 /nfs/dbraw/zinc/73/82/41/994738241.db2.gz XVJCHRPFBOKYBB-CQSZACIVSA-N 0 1 380.422 1.630 20 0 GDADMN C[C@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001593324592 994861222 /nfs/dbraw/zinc/86/12/22/994861222.db2.gz BDGQOMKAAUOKGP-AAEUAGOBSA-N 0 1 397.522 1.512 20 0 GDADMN C[C@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001593324592 994861233 /nfs/dbraw/zinc/86/12/33/994861233.db2.gz BDGQOMKAAUOKGP-AAEUAGOBSA-N 0 1 397.522 1.512 20 0 GDADMN COc1cccc(OCCCNC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)c1 ZINC001599681577 994991739 /nfs/dbraw/zinc/99/17/39/994991739.db2.gz FLELNMIAPYWTGH-OAHLLOKOSA-N 0 1 379.457 1.655 20 0 GDADMN COC(=O)[C@H](CCC(=O)[O-])[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC001598695970 995138136 /nfs/dbraw/zinc/13/81/36/995138136.db2.gz BNLULDNXCVVCPO-HNNXBMFYSA-N 0 1 378.425 1.752 20 0 GDADMN COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC001598719130 995455735 /nfs/dbraw/zinc/45/57/35/995455735.db2.gz WJDWQXKVBWFYQX-HNNXBMFYSA-N 0 1 377.363 1.902 20 0 GDADMN COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC001598719130 995455738 /nfs/dbraw/zinc/45/57/38/995455738.db2.gz WJDWQXKVBWFYQX-HNNXBMFYSA-N 0 1 377.363 1.902 20 0 GDADMN C[C@@H](Oc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1F)C(=O)[O-] ZINC001593629034 995905592 /nfs/dbraw/zinc/90/55/92/995905592.db2.gz JWDMQCYTCCURLC-OCCSQVGLSA-N 0 1 383.420 1.646 20 0 GDADMN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 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C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825902373 607659349 /nfs/dbraw/zinc/65/93/49/607659349.db2.gz SGSLJGGKBNXNQF-ZDUSSCGKSA-N 0 1 394.476 1.358 20 0 GDADMN C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825902373 607659351 /nfs/dbraw/zinc/65/93/51/607659351.db2.gz SGSLJGGKBNXNQF-ZDUSSCGKSA-N 0 1 394.476 1.358 20 0 GDADMN CCN(CC1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1)C(=O)[O-] ZINC000827070809 603919972 /nfs/dbraw/zinc/91/99/72/603919972.db2.gz QMVYHXCXVYCTKK-QGZVFWFLSA-N 0 1 384.521 1.765 20 0 GDADMN COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](NC(=O)[O-])c2ccccc2OC)CC1 ZINC000828645717 603952596 /nfs/dbraw/zinc/95/25/96/603952596.db2.gz BOZMXEOXLWEKTH-CXAGYDPISA-N 0 1 393.440 1.100 20 0 GDADMN O=C(NC[C@H]1COCCN1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000529309006 649939685 /nfs/dbraw/zinc/93/96/85/649939685.db2.gz XJRVQOXYLIOFHI-OLZOCXBDSA-N 0 1 383.290 1.315 20 0 GDADMN O=C(NC[C@@H]1COCCN1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000529309005 649939719 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RZFGVTGJLISIFR-OAHLLOKOSA-N 0 1 378.477 1.265 20 0 GDADMN O=C([O-])NC[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000832573071 604074506 /nfs/dbraw/zinc/07/45/06/604074506.db2.gz KLEZCTOQDZCZII-QGZVFWFLSA-N 0 1 378.448 1.596 20 0 GDADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000830573691 604081862 /nfs/dbraw/zinc/08/18/62/604081862.db2.gz SMQYXELQZNDNFH-IBGZPJMESA-N 0 1 388.512 1.761 20 0 GDADMN COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2CN(C)C(=O)[O-])cc1OC ZINC000829356643 604094411 /nfs/dbraw/zinc/09/44/11/604094411.db2.gz LHZDEBYKYVVXAK-HNNXBMFYSA-N 0 1 379.457 1.736 20 0 GDADMN CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H](C)CN(C)C(=O)[O-])cc2)CC1 ZINC000827222355 604098217 /nfs/dbraw/zinc/09/82/17/604098217.db2.gz ILBGDOGQNNQHNU-MRXNPFEDSA-N 0 1 376.501 1.686 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)NC(=O)[O-] ZINC000824908281 604156067 /nfs/dbraw/zinc/15/60/67/604156067.db2.gz SJDUAPSYDPJLAU-OAHLLOKOSA-N 0 1 377.489 1.543 20 0 GDADMN 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ZINC000825860063 607680298 /nfs/dbraw/zinc/68/02/98/607680298.db2.gz LIKMICBJEMZSPF-UHFFFAOYSA-N 0 1 398.920 1.919 20 0 GDADMN C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825860063 607680300 /nfs/dbraw/zinc/68/03/00/607680300.db2.gz LIKMICBJEMZSPF-UHFFFAOYSA-N 0 1 398.920 1.919 20 0 GDADMN O=C([O-])N1CCC(CC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000831349827 604276227 /nfs/dbraw/zinc/27/62/27/604276227.db2.gz KADOZXCBILKRFS-SFHVURJKSA-N 0 1 375.469 1.302 20 0 GDADMN CC(=O)N1CCC[N@H+]([C@@H]2CN(C(=O)CCC(C)(C)NC(=O)[O-])C[C@H]2C)CC1 ZINC000823556003 604312239 /nfs/dbraw/zinc/31/22/39/604312239.db2.gz JDGBOIYAUSNNAI-GDBMZVCRSA-N 0 1 382.505 1.214 20 0 GDADMN C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C[C@H]1C(=O)[O-] ZINC000828361408 604320711 /nfs/dbraw/zinc/32/07/11/604320711.db2.gz HNYHRAZKCGEERD-WMLDXEAASA-N 0 1 394.903 1.824 20 0 GDADMN C[C@H](CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824646815 604328817 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CC(C)(C)c1nnc([C@@H]2CN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000819966004 606629867 /nfs/dbraw/zinc/62/98/67/606629867.db2.gz RZDOXZJJJLLYAA-ZDUSSCGKSA-N 0 1 397.443 1.888 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)OCC[NH+]1CCSCC1 ZINC000822010105 606632728 /nfs/dbraw/zinc/63/27/28/606632728.db2.gz NPHMKLYDCUKVOW-UHFFFAOYSA-N 0 1 392.485 1.109 20 0 GDADMN COC(=O)[C@H](C)[C@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821638836 606770391 /nfs/dbraw/zinc/77/03/91/606770391.db2.gz JGKWYNCXSZTYTL-ACJLOTCBSA-N 0 1 394.435 1.945 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCOc1ccccc1 ZINC000820788231 606779876 /nfs/dbraw/zinc/77/98/76/606779876.db2.gz BEBAHIWMJHBIER-HNNXBMFYSA-N 0 1 380.456 1.636 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCOc1ccccc1 ZINC000820788231 606779879 /nfs/dbraw/zinc/77/98/79/606779879.db2.gz BEBAHIWMJHBIER-HNNXBMFYSA-N 0 1 380.456 1.636 20 0 GDADMN CC[C@@H]1CC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)O1 ZINC000820971978 606785065 /nfs/dbraw/zinc/78/50/65/606785065.db2.gz IZJIAHUDRPTSLY-OLZOCXBDSA-N 0 1 387.444 1.338 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)cc1-c1nn[nH]n1 ZINC000821979522 606817539 /nfs/dbraw/zinc/81/75/39/606817539.db2.gz SNTUHYMDTZFAOY-MEDUHNTESA-N 0 1 378.458 1.360 20 0 GDADMN CC(C)COC(=O)N1CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820097093 606891200 /nfs/dbraw/zinc/89/12/00/606891200.db2.gz KCIGKRPBIKPWNL-KRWDZBQOSA-N 0 1 388.472 1.700 20 0 GDADMN Cc1csc([C@@H](C)NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)n1 ZINC000822409766 606891245 /nfs/dbraw/zinc/89/12/45/606891245.db2.gz VAUVUNCZAXRJOH-SSDOTTSWSA-N 0 1 386.409 1.949 20 0 GDADMN CO[C@@]1(C)C[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1(C)C ZINC000821677993 606894358 /nfs/dbraw/zinc/89/43/58/606894358.db2.gz HYMWNPFYODIHLK-ABAIWWIYSA-N 0 1 387.412 1.627 20 0 GDADMN CCCCN(CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821064858 606924341 /nfs/dbraw/zinc/92/43/41/606924341.db2.gz BATYEMIVWPXQSY-INIZCTEOSA-N 0 1 393.513 1.925 20 0 GDADMN N=C(NOCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COc2ccccc2O1 ZINC000822846249 606982858 /nfs/dbraw/zinc/98/28/58/606982858.db2.gz RNWPRNOLWYDMNQ-INIZCTEOSA-N 0 1 382.380 1.584 20 0 GDADMN CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000821309377 607032740 /nfs/dbraw/zinc/03/27/40/607032740.db2.gz NSYURTQDJNFAKV-UHFFFAOYSA-N 0 1 391.413 1.214 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2nn[n-]n2)c1C ZINC000822540815 607105321 /nfs/dbraw/zinc/10/53/21/607105321.db2.gz HEHHBRYYWOEQFW-NWANDNLSSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(-c2nn[n-]n2)c1C ZINC000822540815 607105322 /nfs/dbraw/zinc/10/53/22/607105322.db2.gz HEHHBRYYWOEQFW-NWANDNLSSA-N 0 1 387.488 1.820 20 0 GDADMN O=C(CCc1nc[nH]n1)OCCOc1c(-c2nn[nH]n2)cnc2ccccc21 ZINC000822986317 607130617 /nfs/dbraw/zinc/13/06/17/607130617.db2.gz DAXWXOKZQLIFFX-UHFFFAOYSA-N 0 1 380.368 1.088 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)n[nH]1 ZINC000822199601 607167554 /nfs/dbraw/zinc/16/75/54/607167554.db2.gz AGNIPKPMMWMXAZ-SNVBAGLBSA-N 0 1 392.427 1.027 20 0 GDADMN O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150866 607178017 /nfs/dbraw/zinc/17/80/17/607178017.db2.gz VAKJDYMJHPGOHL-CHWSQXEVSA-N 0 1 376.486 1.426 20 0 GDADMN O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150866 607178018 /nfs/dbraw/zinc/17/80/18/607178018.db2.gz VAKJDYMJHPGOHL-CHWSQXEVSA-N 0 1 376.486 1.426 20 0 GDADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820704317 607208071 /nfs/dbraw/zinc/20/80/71/607208071.db2.gz NNRQMICZKNQTMK-CQSZACIVSA-N 0 1 395.471 1.149 20 0 GDADMN C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820704317 607208072 /nfs/dbraw/zinc/20/80/72/607208072.db2.gz NNRQMICZKNQTMK-CQSZACIVSA-N 0 1 395.471 1.149 20 0 GDADMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820704317 607208073 /nfs/dbraw/zinc/20/80/73/607208073.db2.gz NNRQMICZKNQTMK-CQSZACIVSA-N 0 1 395.471 1.149 20 0 GDADMN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000820254209 607208552 /nfs/dbraw/zinc/20/85/52/607208552.db2.gz NRNWJRFNQMCGDE-CYBMUJFWSA-N 0 1 384.444 1.383 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000823131770 607209380 /nfs/dbraw/zinc/20/93/80/607209380.db2.gz NSYXKHCTFOGUIO-UHFFFAOYSA-N 0 1 395.427 1.113 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1csc(CCc2ccccc2)n1 ZINC000823131146 607222677 /nfs/dbraw/zinc/22/26/77/607222677.db2.gz CHCIJSJYOJJIAH-UHFFFAOYSA-N 0 1 395.452 1.016 20 0 GDADMN CCCCn1ccnc1-c1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821082994 607224229 /nfs/dbraw/zinc/22/42/29/607224229.db2.gz RMIRFGWDSJWABN-UHFFFAOYSA-N 0 1 392.427 1.761 20 0 GDADMN CC(C)(C)c1n[nH]c(SCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000824141887 607814188 /nfs/dbraw/zinc/81/41/88/607814188.db2.gz NMSDOMGQCSZFAL-UHFFFAOYSA-N 0 1 393.498 1.848 20 0 GDADMN O=S(=O)(CCNCCOc1ccccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000826485408 607815080 /nfs/dbraw/zinc/81/50/80/607815080.db2.gz PBSTUONTWFVVPW-UHFFFAOYSA-N 0 1 391.428 1.448 20 0 GDADMN CN(CCN1C(=O)c2ccccc2C1=O)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825938389 607830743 /nfs/dbraw/zinc/83/07/43/607830743.db2.gz RGLXEGLKOHNOFP-QGZVFWFLSA-N 0 1 392.419 1.128 20 0 GDADMN CC(C)N(CCc1nccs1)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000824292854 607831239 /nfs/dbraw/zinc/83/12/39/607831239.db2.gz BPIFORMESLQFCD-UHFFFAOYSA-N 0 1 385.497 1.893 20 0 GDADMN O=C1C[C@@H](N2CC[C@@H](C3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478457 607843265 /nfs/dbraw/zinc/84/32/65/607843265.db2.gz BTUCCGCBQNHHOA-NVXWUHKLSA-N 0 1 396.451 1.247 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1-c1nn[nH]n1 ZINC000826229985 607870248 /nfs/dbraw/zinc/87/02/48/607870248.db2.gz ZGNFGIUHPSYXGM-RNCFNFMXSA-N 0 1 398.448 1.984 20 0 GDADMN CN1Cc2ccccc2[C@@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C1 ZINC000826051186 607935639 /nfs/dbraw/zinc/93/56/39/607935639.db2.gz JASYITDNEUAFFV-INIZCTEOSA-N 0 1 385.453 1.113 20 0 GDADMN C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1cn[nH]c1 ZINC000824489649 607940705 /nfs/dbraw/zinc/94/07/05/607940705.db2.gz MNSOFZZFHMZCQE-SNVBAGLBSA-N 0 1 398.431 1.048 20 0 GDADMN COc1ccc(OC)c(CCCN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826211075 607984000 /nfs/dbraw/zinc/98/40/00/607984000.db2.gz OJKOVBUJOBLZOK-GOSISDBHSA-N 0 1 396.451 1.633 20 0 GDADMN CC[C@H](Nc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825148693 608020320 /nfs/dbraw/zinc/02/03/20/608020320.db2.gz SAGCNEYUHZEZJB-ZDUSSCGKSA-N 0 1 383.460 1.571 20 0 GDADMN CC[C@H](Nc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825148693 608020321 /nfs/dbraw/zinc/02/03/21/608020321.db2.gz SAGCNEYUHZEZJB-ZDUSSCGKSA-N 0 1 383.460 1.571 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2csc(C)n2)c1-c1nnn[n-]1 ZINC000826077119 608020407 /nfs/dbraw/zinc/02/04/07/608020407.db2.gz ANURGPAHVZXZRV-UHFFFAOYSA-N 0 1 375.462 1.078 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2csc(C)n2)c1-c1nn[n-]n1 ZINC000826077119 608020408 /nfs/dbraw/zinc/02/04/08/608020408.db2.gz ANURGPAHVZXZRV-UHFFFAOYSA-N 0 1 375.462 1.078 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(NC(C)C)nc2)c1-c1nnn[n-]1 ZINC000826082875 608020511 /nfs/dbraw/zinc/02/05/11/608020511.db2.gz CPKOVAPMOODDML-UHFFFAOYSA-N 0 1 384.448 1.209 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(NC(C)C)nc2)c1-c1nn[n-]n1 ZINC000826082875 608020512 /nfs/dbraw/zinc/02/05/12/608020512.db2.gz CPKOVAPMOODDML-UHFFFAOYSA-N 0 1 384.448 1.209 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Cl)c2F)c1-c1nnn[n-]1 ZINC000826084224 608020959 /nfs/dbraw/zinc/02/09/59/608020959.db2.gz VPLZHGVFTOOWGI-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Cl)c2F)c1-c1nn[n-]n1 ZINC000826084224 608020960 /nfs/dbraw/zinc/02/09/60/608020960.db2.gz VPLZHGVFTOOWGI-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826077183 608021336 /nfs/dbraw/zinc/02/13/36/608021336.db2.gz CTXSPEBYJMKGON-UHFFFAOYSA-N 0 1 390.448 1.612 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826077183 608021337 /nfs/dbraw/zinc/02/13/37/608021337.db2.gz CTXSPEBYJMKGON-UHFFFAOYSA-N 0 1 390.448 1.612 20 0 GDADMN CCCOc1cccc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)c1 ZINC000825342167 608021792 /nfs/dbraw/zinc/02/17/92/608021792.db2.gz PIXYGCOMMXNBQH-UHFFFAOYSA-N 0 1 398.471 1.712 20 0 GDADMN CCCOc1cccc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)c1 ZINC000825342167 608021793 /nfs/dbraw/zinc/02/17/93/608021793.db2.gz PIXYGCOMMXNBQH-UHFFFAOYSA-N 0 1 398.471 1.712 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCc3sccc32)c1-c1nnn[n-]1 ZINC000826077823 608022243 /nfs/dbraw/zinc/02/22/43/608022243.db2.gz XAFXZRDEXARAMO-NSHDSACASA-N 0 1 386.485 1.862 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCc3sccc32)c1-c1nn[n-]n1 ZINC000826077823 608022244 /nfs/dbraw/zinc/02/22/44/608022244.db2.gz XAFXZRDEXARAMO-NSHDSACASA-N 0 1 386.485 1.862 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNc2c(C)cccc2C)c1-c1nnn[n-]1 ZINC000826077720 608023138 /nfs/dbraw/zinc/02/31/38/608023138.db2.gz RPCJMZZPBTYCTN-UHFFFAOYSA-N 0 1 383.460 1.409 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNc2c(C)cccc2C)c1-c1nn[n-]n1 ZINC000826077720 608023139 /nfs/dbraw/zinc/02/31/39/608023139.db2.gz RPCJMZZPBTYCTN-UHFFFAOYSA-N 0 1 383.460 1.409 20 0 GDADMN O=C(CCN1CCC(O)(C(F)(F)F)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407539 608039933 /nfs/dbraw/zinc/03/99/33/608039933.db2.gz RBDCGDFKTBAJEA-UHFFFAOYSA-N 0 1 390.391 1.646 20 0 GDADMN COc1ccccc1OC[C@H](C)CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826220058 608111033 /nfs/dbraw/zinc/11/10/33/608111033.db2.gz ASNVZYCNYMRLHD-FZKQIMNGSA-N 0 1 396.451 1.706 20 0 GDADMN CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825486837 608127277 /nfs/dbraw/zinc/12/72/77/608127277.db2.gz ZUUNFCGFDJVPPP-SFYZADRCSA-N 0 1 389.384 1.011 20 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GDADMN Cn1nccc1[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(=O)[O-] ZINC000901706238 939281270 /nfs/dbraw/zinc/28/12/70/939281270.db2.gz CUZZRDIUUNSKOJ-FUHWJXTLSA-N 0 1 382.464 1.964 20 0 GDADMN Cc1cc(C)cc([C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C(=O)[O-])c1 ZINC000908857870 939337709 /nfs/dbraw/zinc/33/77/09/939337709.db2.gz NGICGCJRZRYQKJ-SJLPKXTDSA-N 0 1 376.501 1.612 20 0 GDADMN O=C([O-])[C@@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000908924860 939354345 /nfs/dbraw/zinc/35/43/45/939354345.db2.gz MUIMFBUKDNZKBF-AEFFLSMTSA-N 0 1 375.469 1.688 20 0 GDADMN Cc1cccc([C@@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])c1C ZINC000909026043 939371763 /nfs/dbraw/zinc/37/17/63/939371763.db2.gz FLSYOOKOWZANCD-QGZVFWFLSA-N 0 1 376.501 1.754 20 0 GDADMN CO[C@@H]1CCC[C@H]([C@H](NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C1 ZINC000653530568 939836783 /nfs/dbraw/zinc/83/67/83/939836783.db2.gz FPUQMKDVJSDMCK-NYXISSTPSA-N 0 1 385.505 1.442 20 0 GDADMN CO[C@@H]1CCC[C@H]([C@H](NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C1 ZINC000653530568 939836785 /nfs/dbraw/zinc/83/67/85/939836785.db2.gz FPUQMKDVJSDMCK-NYXISSTPSA-N 0 1 385.505 1.442 20 0 GDADMN C[C@@H](CNC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653530676 939836996 /nfs/dbraw/zinc/83/69/96/939836996.db2.gz JPEDGGIWFLYFAO-SOUVJXGZSA-N 0 1 375.469 1.406 20 0 GDADMN C[C@@H](CNC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653530676 939836998 /nfs/dbraw/zinc/83/69/98/939836998.db2.gz JPEDGGIWFLYFAO-SOUVJXGZSA-N 0 1 375.469 1.406 20 0 GDADMN O=C([O-])[C@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000663107960 939855760 /nfs/dbraw/zinc/85/57/60/939855760.db2.gz ADGPGFZFVNYUQM-IBGZPJMESA-N 0 1 387.480 1.338 20 0 GDADMN O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)c1cccc(=O)[nH]1 ZINC001571261125 945423254 /nfs/dbraw/zinc/42/32/54/945423254.db2.gz AOYHKCMZRREYPP-NSHDSACASA-N 0 1 385.453 1.423 20 0 GDADMN O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)c1cccc(=O)[nH]1 ZINC001571261125 945423258 /nfs/dbraw/zinc/42/32/58/945423258.db2.gz AOYHKCMZRREYPP-NSHDSACASA-N 0 1 385.453 1.423 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCCCO1 ZINC001571263104 945450480 /nfs/dbraw/zinc/45/04/80/945450480.db2.gz HLXSYVKZCAFCQZ-ZENOOKHLSA-N 0 1 385.472 1.338 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571263902 945469962 /nfs/dbraw/zinc/46/99/62/945469962.db2.gz ZIVBDSVMAZKMFA-NSHDSACASA-N 0 1 385.457 1.081 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571264286 945479440 /nfs/dbraw/zinc/47/94/40/945479440.db2.gz KIMRPAFWFOQXGR-VBQJREDUSA-N 0 1 385.472 1.068 20 0 GDADMN CC(C)(O)CC(=O)N1CCC[C@@H]1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571264988 945496735 /nfs/dbraw/zinc/49/67/35/945496735.db2.gz BVGGLSPMFYEZDG-MRVPVSSYSA-N 0 1 385.881 1.541 20 0 GDADMN O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1)c1ccc(Cl)cc1F ZINC001571265307 945507634 /nfs/dbraw/zinc/50/76/34/945507634.db2.gz GWMPJVPJVJHANW-UHFFFAOYSA-N 0 1 385.764 1.413 20 0 GDADMN Cc1c(C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)ccn1C ZINC001571266119 945530898 /nfs/dbraw/zinc/53/08/98/945530898.db2.gz WSYPXJYBLAYANZ-UHFFFAOYSA-N 0 1 385.497 1.970 20 0 GDADMN Cc1c(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)ccn1C ZINC001571266119 945530904 /nfs/dbraw/zinc/53/09/04/945530904.db2.gz WSYPXJYBLAYANZ-UHFFFAOYSA-N 0 1 385.497 1.970 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@H](N(C)c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571266112 945531735 /nfs/dbraw/zinc/53/17/35/945531735.db2.gz WKQNPBOXRNNTLH-DTWKUNHWSA-N 0 1 385.881 1.439 20 0 GDADMN COc1cccc([C@@H]2C[C@H]2CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)c1 ZINC001571270718 945640703 /nfs/dbraw/zinc/64/07/03/945640703.db2.gz ZQLLTWKDNDCWSJ-JSGCOSHPSA-N 0 1 386.437 1.352 20 0 GDADMN C[C@H](NC(=O)c1cn[nH]c1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571271358 945642209 /nfs/dbraw/zinc/64/22/09/945642209.db2.gz AVUGFPKXRKOMCP-NWDGAFQWSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@H](NC(=O)c1cn[nH]c1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571271358 945642215 /nfs/dbraw/zinc/64/22/15/945642215.db2.gz AVUGFPKXRKOMCP-NWDGAFQWSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@H](NC(=O)c1cn[nH]c1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571271358 945642221 /nfs/dbraw/zinc/64/22/21/945642221.db2.gz AVUGFPKXRKOMCP-NWDGAFQWSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@H](NC(=O)c1cn[nH]c1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571271358 945642228 /nfs/dbraw/zinc/64/22/28/945642228.db2.gz AVUGFPKXRKOMCP-NWDGAFQWSA-N 0 1 386.485 1.682 20 0 GDADMN CCc1nc([C@@H]2CN(C(=O)Nc3ccc(F)cc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000821504542 945712210 /nfs/dbraw/zinc/71/22/10/945712210.db2.gz HGZVINAGNSAKJG-LBPRGKRZSA-N 0 1 387.379 1.292 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)n1 ZINC000821586081 945725711 /nfs/dbraw/zinc/72/57/11/945725711.db2.gz IWFXQDHSDPFZLY-UHFFFAOYSA-N 0 1 387.423 1.335 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)n1 ZINC000821586081 945725719 /nfs/dbraw/zinc/72/57/19/945725719.db2.gz IWFXQDHSDPFZLY-UHFFFAOYSA-N 0 1 387.423 1.335 20 0 GDADMN O=C(Cc1ccon1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571282457 945844794 /nfs/dbraw/zinc/84/47/94/945844794.db2.gz ZBASNTINHCLCBC-HAQNSBGRSA-N 0 1 387.469 1.676 20 0 GDADMN O=C(Cc1ccon1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571282457 945844804 /nfs/dbraw/zinc/84/48/04/945844804.db2.gz ZBASNTINHCLCBC-HAQNSBGRSA-N 0 1 387.469 1.676 20 0 GDADMN C[N@H+]1C[C@@]23CN(CC(=O)Nc4sccc4-c4nn[nH]n4)C[C@]2(C1)CCCC3 ZINC001571284872 945906052 /nfs/dbraw/zinc/90/60/52/945906052.db2.gz VLSNYYDMELOUSD-HDICACEKSA-N 0 1 387.513 1.675 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571286822 945960613 /nfs/dbraw/zinc/96/06/13/945960613.db2.gz SNBSQAJILXBMPK-VHSXEESVSA-N 0 1 388.432 1.645 20 0 GDADMN O=C(NC[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cnns1 ZINC001571287663 945978211 /nfs/dbraw/zinc/97/82/11/945978211.db2.gz HFPDSYWPXSTSKT-JTQLQIEISA-N 0 1 388.432 1.109 20 0 GDADMN CCO[C@@H]1C[C@H]1C(=O)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287855 945981346 /nfs/dbraw/zinc/98/13/46/945981346.db2.gz JOCJRVBFMSCTFS-IAGOWNOFSA-N 0 1 388.447 1.511 20 0 GDADMN O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2)[C@H]1CCOC1 ZINC001571290183 946032431 /nfs/dbraw/zinc/03/24/31/946032431.db2.gz WZYMUVLNGGEBKO-WFASDCNBSA-N 0 1 388.497 1.435 20 0 GDADMN O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2)[C@H]1CCOC1 ZINC001571290183 946032443 /nfs/dbraw/zinc/03/24/43/946032443.db2.gz WZYMUVLNGGEBKO-WFASDCNBSA-N 0 1 388.497 1.435 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290208 946033232 /nfs/dbraw/zinc/03/32/32/946033232.db2.gz XOWYQSPYSORTES-TZMCWYRMSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290208 946033246 /nfs/dbraw/zinc/03/32/46/946033246.db2.gz XOWYQSPYSORTES-TZMCWYRMSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290208 946033260 /nfs/dbraw/zinc/03/32/60/946033260.db2.gz XOWYQSPYSORTES-TZMCWYRMSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290208 946033267 /nfs/dbraw/zinc/03/32/67/946033267.db2.gz XOWYQSPYSORTES-TZMCWYRMSA-N 0 1 388.497 1.744 20 0 GDADMN Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(-c4nn[nH]n4)cc3)[nH]c2c1 ZINC000822271234 946039868 /nfs/dbraw/zinc/03/98/68/946039868.db2.gz RVBDXMALJFYTHG-UHFFFAOYSA-N 0 1 376.380 1.306 20 0 GDADMN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571290625 946050271 /nfs/dbraw/zinc/05/02/71/946050271.db2.gz KKWSOSIMBHELFQ-DGAVXFQQSA-N 0 1 388.497 1.291 20 0 GDADMN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571290625 946050283 /nfs/dbraw/zinc/05/02/83/946050283.db2.gz KKWSOSIMBHELFQ-DGAVXFQQSA-N 0 1 388.497 1.291 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC001571293387 946103041 /nfs/dbraw/zinc/10/30/41/946103041.db2.gz GWCLYUYIHGADBJ-DJJJIMSYSA-N 0 1 389.431 1.796 20 0 GDADMN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC001571293387 946103047 /nfs/dbraw/zinc/10/30/47/946103047.db2.gz GWCLYUYIHGADBJ-DJJJIMSYSA-N 0 1 389.431 1.796 20 0 GDADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001571294599 946138086 /nfs/dbraw/zinc/13/80/86/946138086.db2.gz JYTHGCGEBJLGQF-LBPRGKRZSA-N 0 1 389.822 1.992 20 0 GDADMN O=C(C1C=CC=CC=C1)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571295495 946164346 /nfs/dbraw/zinc/16/43/46/946164346.db2.gz VIUGFPWQYLDIMC-NRFANRHFSA-N 0 1 389.463 1.989 20 0 GDADMN Cc1nnsc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571298299 946210153 /nfs/dbraw/zinc/21/01/53/946210153.db2.gz MUXCBGOABQTECC-LDYMZIIASA-N 0 1 390.498 1.338 20 0 GDADMN Cc1nnsc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571298299 946210163 /nfs/dbraw/zinc/21/01/63/946210163.db2.gz MUXCBGOABQTECC-LDYMZIIASA-N 0 1 390.498 1.338 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001571299241 946244211 /nfs/dbraw/zinc/24/42/11/946244211.db2.gz PPHVBTCPTMOFKB-JKSUJKDBSA-N 0 1 390.451 1.849 20 0 GDADMN C[C@H]1COCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299318 946246296 /nfs/dbraw/zinc/24/62/96/946246296.db2.gz KLHRTLADISXJBC-SWLSCSKDSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001571299381 946247659 /nfs/dbraw/zinc/24/76/59/946247659.db2.gz LXBKHPNWTONAEH-RGCMKSIDSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001571299381 946247667 /nfs/dbraw/zinc/24/76/67/946247667.db2.gz LXBKHPNWTONAEH-RGCMKSIDSA-N 0 1 390.513 1.728 20 0 GDADMN O=C(c1csnn1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571299391 946249458 /nfs/dbraw/zinc/24/94/58/946249458.db2.gz MERRMCCNUCDELT-JTQLQIEISA-N 0 1 390.498 1.564 20 0 GDADMN O=C(c1csnn1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571299391 946249467 /nfs/dbraw/zinc/24/94/67/946249467.db2.gz MERRMCCNUCDELT-JTQLQIEISA-N 0 1 390.498 1.564 20 0 GDADMN CCO[C@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299758 946262869 /nfs/dbraw/zinc/26/28/69/946262869.db2.gz PQTIKFNNIQJZIA-GJZGRUSLSA-N 0 1 390.513 1.681 20 0 GDADMN CCO[C@H]1C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299758 946262874 /nfs/dbraw/zinc/26/28/74/946262874.db2.gz PQTIKFNNIQJZIA-GJZGRUSLSA-N 0 1 390.513 1.681 20 0 GDADMN Cc1nsc(N2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1-c1nn[n-]n1 ZINC001571299917 946266523 /nfs/dbraw/zinc/26/65/23/946266523.db2.gz RAQMCDXHSHVVIF-ZDUSSCGKSA-N 0 1 390.517 1.153 20 0 GDADMN Cc1nsc(N2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1-c1nn[n-]n1 ZINC001571299917 946266532 /nfs/dbraw/zinc/26/65/32/946266532.db2.gz RAQMCDXHSHVVIF-ZDUSSCGKSA-N 0 1 390.517 1.153 20 0 GDADMN C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300185 946274782 /nfs/dbraw/zinc/27/47/82/946274782.db2.gz WIYDPKDAGBWOCP-WFASDCNBSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300185 946274789 /nfs/dbraw/zinc/27/47/89/946274789.db2.gz WIYDPKDAGBWOCP-WFASDCNBSA-N 0 1 390.513 1.681 20 0 GDADMN CC(=O)NC1CCC(NC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)CC1 ZINC001573496363 946323181 /nfs/dbraw/zinc/32/31/81/946323181.db2.gz YSCCZXWVUAFNJT-UHFFFAOYSA-N 0 1 384.853 1.545 20 0 GDADMN O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1ncccc1[O-] ZINC001571303192 946328349 /nfs/dbraw/zinc/32/83/49/946328349.db2.gz JOSUAZIJSJRJRY-PHZGNYQRSA-N 0 1 391.435 1.075 20 0 GDADMN O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21)c1ncccc1[O-] ZINC001571303192 946328359 /nfs/dbraw/zinc/32/83/59/946328359.db2.gz JOSUAZIJSJRJRY-PHZGNYQRSA-N 0 1 391.435 1.075 20 0 GDADMN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000823171275 946335194 /nfs/dbraw/zinc/33/51/94/946335194.db2.gz SFYIULVHMJLHMI-GOSISDBHSA-N 0 1 384.465 1.295 20 0 GDADMN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000823171275 946335202 /nfs/dbraw/zinc/33/52/02/946335202.db2.gz SFYIULVHMJLHMI-GOSISDBHSA-N 0 1 384.465 1.295 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cc2c(o1)CCCC2 ZINC001571304132 946357104 /nfs/dbraw/zinc/35/71/04/946357104.db2.gz YTKRDGRANUCKGR-UOIKSKOESA-N 0 1 391.435 1.598 20 0 GDADMN O=C(Cc1cccnc1)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571305431 946361498 /nfs/dbraw/zinc/36/14/98/946361498.db2.gz BBKMBSRGAMJPEP-IBGZPJMESA-N 0 1 391.479 1.975 20 0 GDADMN CCc1cccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@H](C)C2)n1 ZINC001571312856 946503795 /nfs/dbraw/zinc/50/37/95/946503795.db2.gz DTSJEXXGMJWJFB-CZUORRHYSA-N 0 1 392.467 1.604 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)C[C@@H](C)c3ccncc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314888 946544641 /nfs/dbraw/zinc/54/46/41/946544641.db2.gz CTXPCOVATVQYRP-CZUORRHYSA-N 0 1 392.467 1.594 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314913 946544787 /nfs/dbraw/zinc/54/47/87/946544787.db2.gz DMMNWFZNXKCNQF-ACJLOTCBSA-N 0 1 392.467 1.576 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315125 946546326 /nfs/dbraw/zinc/54/63/26/946546326.db2.gz GJKFKKCKAPHLCC-ZBFHGGJFSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cc(C)nc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001571315189 946551365 /nfs/dbraw/zinc/55/13/65/946551365.db2.gz HBAPGIKCMLYWDP-GOEBONIOSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cc(NCC2CCN(C(=O)Cc3cccnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315861 946560590 /nfs/dbraw/zinc/56/05/90/946560590.db2.gz PYNDZYUXNMHTDT-UHFFFAOYSA-N 0 1 392.467 1.280 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)Cc3cccnc3)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316146 946565612 /nfs/dbraw/zinc/56/56/12/946565612.db2.gz UXISZBKKQMINIR-HOCLYGCPSA-N 0 1 392.467 1.681 20 0 GDADMN Cc1ccccc1[C@@H](C)C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316905 946592910 /nfs/dbraw/zinc/59/29/10/946592910.db2.gz PMLPQWGSWURMRW-WLYUNCDWSA-N 0 1 392.467 1.592 20 0 GDADMN Cc1cccc(CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316985 946595964 /nfs/dbraw/zinc/59/59/64/946595964.db2.gz RHAGKZVUKHLQFO-HXUWFJFHSA-N 0 1 392.467 1.280 20 0 GDADMN Cc1nnccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571317155 946602223 /nfs/dbraw/zinc/60/22/23/946602223.db2.gz WRQLKGIQGYPYBO-CJNGLKHVSA-N 0 1 392.467 1.748 20 0 GDADMN CC(C)(O)CN(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000824172689 946607435 /nfs/dbraw/zinc/60/74/35/946607435.db2.gz OPPCGJBOUTVEHQ-UHFFFAOYSA-N 0 1 394.479 1.756 20 0 GDADMN C[C@@H](NC(=O)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1)c1nnc[nH]1 ZINC000824507338 946754757 /nfs/dbraw/zinc/75/47/57/946754757.db2.gz WPYXMCAVNKXUCR-MRVPVSSYSA-N 0 1 399.806 1.707 20 0 GDADMN CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001573546518 946811940 /nfs/dbraw/zinc/81/19/40/946811940.db2.gz CCUPXAMZMYXARN-SHTZXODSSA-N 0 1 392.423 1.015 20 0 GDADMN CC(=O)Nc1cccc(CN(C)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c1 ZINC001573546896 946819872 /nfs/dbraw/zinc/81/98/72/946819872.db2.gz QWIBPBUOPCCLHQ-UHFFFAOYSA-N 0 1 382.428 1.015 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCO1 ZINC000824868202 946961884 /nfs/dbraw/zinc/96/18/84/946961884.db2.gz UCWYPHPGQLPEHD-AAEUAGOBSA-N 0 1 387.444 1.196 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCO1 ZINC000824868208 946961956 /nfs/dbraw/zinc/96/19/56/946961956.db2.gz UCWYPHPGQLPEHD-YPMHNXCESA-N 0 1 387.444 1.196 20 0 GDADMN C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3F)C2)C1 ZINC000326883403 971340377 /nfs/dbraw/zinc/34/03/77/971340377.db2.gz HCGGHUWWAGABRX-OAHLLOKOSA-N 0 1 376.837 1.894 20 0 GDADMN C=C/C(C)=C\CC(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573316042 947266244 /nfs/dbraw/zinc/26/62/44/947266244.db2.gz FOCBGTLFCGFGKN-XNISGLLXSA-N 0 1 383.456 1.154 20 0 GDADMN C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(C)(F)F ZINC001573593073 947362318 /nfs/dbraw/zinc/36/23/18/947362318.db2.gz IHCQMHVWKIHKRR-GXSJLCMTSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573593691 947376832 /nfs/dbraw/zinc/37/68/32/947376832.db2.gz UVGNEIUMRKIQLP-IUODEOHRSA-N 0 1 390.463 1.303 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573593691 947376841 /nfs/dbraw/zinc/37/68/41/947376841.db2.gz UVGNEIUMRKIQLP-IUODEOHRSA-N 0 1 390.463 1.303 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573603338 947485297 /nfs/dbraw/zinc/48/52/97/947485297.db2.gz KKKJUONDXUKVCY-DYVFJYSZSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@@H](C)C(C)(C)C ZINC001573607168 947540539 /nfs/dbraw/zinc/54/05/39/947540539.db2.gz GIGYDFPQGBAGKE-ZIAGYGMSSA-N 0 1 389.504 1.235 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000826184421 947566428 /nfs/dbraw/zinc/56/64/28/947566428.db2.gz WJPJGRKZKLJVKF-LLVKDONJSA-N 0 1 388.453 1.374 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000327467667 971401244 /nfs/dbraw/zinc/40/12/44/971401244.db2.gz IOPGWWZKUALJCQ-LBPRGKRZSA-N 0 1 388.873 1.906 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573615614 947606013 /nfs/dbraw/zinc/60/60/13/947606013.db2.gz TYOUOKHQEQRWNE-AEGPPILISA-N 0 1 382.472 1.663 20 0 GDADMN C[C@H](C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573615801 947612220 /nfs/dbraw/zinc/61/22/20/947612220.db2.gz KUTHUNDNMMMZHZ-AWEZNQCLSA-N 0 1 392.467 1.675 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1-c1nn[nH]n1 ZINC000826229655 947673045 /nfs/dbraw/zinc/67/30/45/947673045.db2.gz MHPZYELDUSKVKA-SECBINFHSA-N 0 1 392.441 1.105 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573627640 947728898 /nfs/dbraw/zinc/72/88/98/947728898.db2.gz DDVGRWIJGHXKDH-NXEZZACHSA-N 0 1 384.366 1.282 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC001573369822 947776721 /nfs/dbraw/zinc/77/67/21/947776721.db2.gz XKAAAWIQVWEJPA-FZMZJTMJSA-N 0 1 376.486 1.624 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC001573369822 947776727 /nfs/dbraw/zinc/77/67/27/947776727.db2.gz XKAAAWIQVWEJPA-FZMZJTMJSA-N 0 1 376.486 1.624 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573373720 947797598 /nfs/dbraw/zinc/79/75/98/947797598.db2.gz KRSMOCAGXHRQCO-MRXNPFEDSA-N 0 1 388.447 1.846 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573374097 947805385 /nfs/dbraw/zinc/80/53/85/947805385.db2.gz MLMIUXGWFGJUCT-ZFWWWQNUSA-N 0 1 385.472 1.339 20 0 GDADMN Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000327913420 971433434 /nfs/dbraw/zinc/43/34/34/971433434.db2.gz ZIFFZIUJQSYXBX-CYBMUJFWSA-N 0 1 388.511 1.630 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](C)CN(C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573375874 947827943 /nfs/dbraw/zinc/82/79/43/947827943.db2.gz QZECCXNSQUHCBL-GFCCVEGCSA-N 0 1 376.436 1.702 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001573380499 947859683 /nfs/dbraw/zinc/85/96/83/947859683.db2.gz CYBSOQWATDHKGU-KRWDZBQOSA-N 0 1 384.484 1.953 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573381378 947873032 /nfs/dbraw/zinc/87/30/32/947873032.db2.gz UKUNHFWTSXXDJH-MRVPVSSYSA-N 0 1 385.881 1.900 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H](C)N(C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573381946 947881329 /nfs/dbraw/zinc/88/13/29/947881329.db2.gz ZZKTXDCTVBURRD-GFCCVEGCSA-N 0 1 376.436 1.702 20 0 GDADMN Cc1csc(C(=O)[O-])c1S(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000327913420 971433443 /nfs/dbraw/zinc/43/34/43/971433443.db2.gz ZIFFZIUJQSYXBX-CYBMUJFWSA-N 0 1 388.511 1.630 20 0 GDADMN CC(=O)CCCC(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573383199 947890433 /nfs/dbraw/zinc/89/04/33/947890433.db2.gz PIFKMRONAQIKSK-UHFFFAOYSA-N 0 1 386.460 1.139 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573647344 947892758 /nfs/dbraw/zinc/89/27/58/947892758.db2.gz IKVSAPCJZPPHBH-YRGRVCCFSA-N 0 1 386.485 1.322 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573647344 947892764 /nfs/dbraw/zinc/89/27/64/947892764.db2.gz IKVSAPCJZPPHBH-YRGRVCCFSA-N 0 1 386.485 1.322 20 0 GDADMN C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(C)(F)F ZINC001573652581 947942644 /nfs/dbraw/zinc/94/26/44/947942644.db2.gz DURUPEKEZCBDHY-VFZGTOFNSA-N 0 1 380.403 1.067 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1-c1nnn[n-]1 ZINC000826344256 948004749 /nfs/dbraw/zinc/00/47/49/948004749.db2.gz BQOPWMYEHSBMSL-OAHLLOKOSA-N 0 1 387.488 1.676 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1-c1nn[n-]n1 ZINC000826344256 948004754 /nfs/dbraw/zinc/00/47/54/948004754.db2.gz BQOPWMYEHSBMSL-OAHLLOKOSA-N 0 1 387.488 1.676 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1-c1nnn[n-]1 ZINC000826344995 948017224 /nfs/dbraw/zinc/01/72/24/948017224.db2.gz ZBZJUGIYGCLNBQ-OAHLLOKOSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1-c1nn[n-]n1 ZINC000826344995 948017227 /nfs/dbraw/zinc/01/72/27/948017227.db2.gz ZBZJUGIYGCLNBQ-OAHLLOKOSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346616 948042790 /nfs/dbraw/zinc/04/27/90/948042790.db2.gz QRFMTADUWLKESW-IUODEOHRSA-N 0 1 381.440 1.657 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346616 948042800 /nfs/dbraw/zinc/04/28/00/948042800.db2.gz QRFMTADUWLKESW-IUODEOHRSA-N 0 1 381.440 1.657 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346902 948046761 /nfs/dbraw/zinc/04/67/61/948046761.db2.gz YPIRJQHONSZZOF-RYUDHWBXSA-N 0 1 375.477 1.578 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346902 948046769 /nfs/dbraw/zinc/04/67/69/948046769.db2.gz YPIRJQHONSZZOF-RYUDHWBXSA-N 0 1 375.477 1.578 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1-c1nnn[n-]1 ZINC000826347091 948048865 /nfs/dbraw/zinc/04/88/65/948048865.db2.gz DZVDVNVVJRNHKD-INIZCTEOSA-N 0 1 381.440 1.659 20 0 GDADMN Cc1onc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826347091 948048881 /nfs/dbraw/zinc/04/88/81/948048881.db2.gz DZVDVNVVJRNHKD-INIZCTEOSA-N 0 1 381.440 1.659 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573666702 948088628 /nfs/dbraw/zinc/08/86/28/948088628.db2.gz VMASKFPRCBDIJR-KGLIPLIRSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573666867 948094345 /nfs/dbraw/zinc/09/43/45/948094345.db2.gz WXWPWNNZQQBSOV-STQMWFEESA-N 0 1 382.428 1.529 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CCCC1 ZINC001573677806 948142209 /nfs/dbraw/zinc/14/22/09/948142209.db2.gz FHKUOSKBJIEAIL-TZMCWYRMSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(C)C ZINC001573678578 948152186 /nfs/dbraw/zinc/15/21/86/948152186.db2.gz FHOACOLXWFDDBT-YUMQZZPRSA-N 0 1 387.897 1.548 20 0 GDADMN CC(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001573426688 948157963 /nfs/dbraw/zinc/15/79/63/948157963.db2.gz OHCVGDVPPOQVCR-GFCCVEGCSA-N 0 1 376.486 1.530 20 0 GDADMN C[C@@H](C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)c1ccccc1F ZINC001573679646 948166191 /nfs/dbraw/zinc/16/61/91/948166191.db2.gz MLECWUHJUDEQTB-NWDGAFQWSA-N 0 1 384.419 1.540 20 0 GDADMN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573680884 948190563 /nfs/dbraw/zinc/19/05/63/948190563.db2.gz RGSNSJKWQOPKFU-AAEUAGOBSA-N 0 1 378.502 1.321 20 0 GDADMN CC(=O)N1CCC(CO[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)CC1 ZINC001573433746 948205752 /nfs/dbraw/zinc/20/57/52/948205752.db2.gz NMQBMTCVPNRSQW-INIZCTEOSA-N 0 1 385.472 1.424 20 0 GDADMN CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573434281 948213829 /nfs/dbraw/zinc/21/38/29/948213829.db2.gz PQKLQMSWASPEEB-AAEUAGOBSA-N 0 1 383.378 1.451 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)[C@H]1CCCO1 ZINC001573692648 948270325 /nfs/dbraw/zinc/27/03/25/948270325.db2.gz RMVIVPYGIYPUCM-CZUORRHYSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@H](C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)C(F)(F)F ZINC001573693349 948279797 /nfs/dbraw/zinc/27/97/97/948279797.db2.gz WVGPRWFBNQDDMJ-VIFPVBQESA-N 0 1 386.353 1.943 20 0 GDADMN O=C(NCc1c[nH]nn1)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000826440164 948297744 /nfs/dbraw/zinc/29/77/44/948297744.db2.gz BFHWSVAQJWQNCH-UHFFFAOYSA-N 0 1 385.779 1.146 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573702549 948347612 /nfs/dbraw/zinc/34/76/12/948347612.db2.gz FDBZRDWGZCVOCY-QWHCGFSZSA-N 0 1 382.428 1.386 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573703862 948360114 /nfs/dbraw/zinc/36/01/14/948360114.db2.gz NFBXHHPSUWSSAC-MNOVXSKESA-N 0 1 380.403 1.281 20 0 GDADMN C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573704848 948384503 /nfs/dbraw/zinc/38/45/03/948384503.db2.gz BEOHUPCJNYPFRG-ZDUSSCGKSA-N 0 1 384.488 1.603 20 0 GDADMN O=C1[C@@H](N2CCN3CCCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477297 948387732 /nfs/dbraw/zinc/38/77/32/948387732.db2.gz ZKAURBKWWMTIFC-MSOLQXFVSA-N 0 1 381.484 1.532 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573707540 948436027 /nfs/dbraw/zinc/43/60/27/948436027.db2.gz PVQOORLNXJUMQR-OLZOCXBDSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573707540 948436029 /nfs/dbraw/zinc/43/60/29/948436029.db2.gz PVQOORLNXJUMQR-OLZOCXBDSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573707540 948436032 /nfs/dbraw/zinc/43/60/32/948436032.db2.gz PVQOORLNXJUMQR-OLZOCXBDSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573707540 948436034 /nfs/dbraw/zinc/43/60/34/948436034.db2.gz PVQOORLNXJUMQR-OLZOCXBDSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CC1 ZINC001573707742 948438129 /nfs/dbraw/zinc/43/81/29/948438129.db2.gz PHLYQKHHSZEHRY-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573714365 948472977 /nfs/dbraw/zinc/47/29/77/948472977.db2.gz GQMRQTOTZLOWBV-ZIAGYGMSSA-N 0 1 381.440 1.991 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1)n1cccn1 ZINC001573732524 948602492 /nfs/dbraw/zinc/60/24/92/948602492.db2.gz QFMKTJKWGFPUHM-JGVFFNPUSA-N 0 1 381.853 1.351 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573736239 948612383 /nfs/dbraw/zinc/61/23/83/948612383.db2.gz KGJRWESUVPQTKR-DGCLKSJQSA-N 0 1 384.469 1.607 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574678284 948745510 /nfs/dbraw/zinc/74/55/10/948745510.db2.gz CCIZFZISUZCPKB-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574678284 948745515 /nfs/dbraw/zinc/74/55/15/948745515.db2.gz CCIZFZISUZCPKB-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575222159 948755116 /nfs/dbraw/zinc/75/51/16/948755116.db2.gz FPDMJLLNSLLRST-WDEREUQCSA-N 0 1 392.414 1.211 20 0 GDADMN CC(C)[C@@H](C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1)[NH+]1CCCC1 ZINC001574679493 948785387 /nfs/dbraw/zinc/78/53/87/948785387.db2.gz WGKRNJNUSNFUKF-CJNGLKHVSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@@H](C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001574679493 948785393 /nfs/dbraw/zinc/78/53/93/948785393.db2.gz WGKRNJNUSNFUKF-CJNGLKHVSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574916728 948788186 /nfs/dbraw/zinc/78/81/86/948788186.db2.gz IIDRLCWWLFUUGR-LBPRGKRZSA-N 0 1 384.419 1.023 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncc1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917184 948811043 /nfs/dbraw/zinc/81/10/43/948811043.db2.gz SYUWROYUYXSVND-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917184 948811059 /nfs/dbraw/zinc/81/10/59/948811059.db2.gz SYUWROYUYXSVND-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN CC(C)c1ccsc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574422322 948833001 /nfs/dbraw/zinc/83/30/01/948833001.db2.gz YRXZNHWEQYUAJD-NSHDSACASA-N 0 1 386.485 1.836 20 0 GDADMN CC(C)(C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)F ZINC001573762297 948851578 /nfs/dbraw/zinc/85/15/78/948851578.db2.gz SAFYHGXHISTJLS-UHFFFAOYSA-N 0 1 380.403 1.020 20 0 GDADMN CC(C)c1nc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cs1 ZINC001574424610 948857696 /nfs/dbraw/zinc/85/76/96/948857696.db2.gz RLRNIGVCRXXVLA-LLVKDONJSA-N 0 1 384.469 1.590 20 0 GDADMN CC(C)c1ccsc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574424590 948858215 /nfs/dbraw/zinc/85/82/15/948858215.db2.gz QZHVRBYHQIQAMD-LLVKDONJSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574918785 948859275 /nfs/dbraw/zinc/85/92/75/948859275.db2.gz QHIPRKUTMHNFDH-CYBMUJFWSA-N 0 1 381.444 1.016 20 0 GDADMN CC(C)c1nc(C(=O)N(C)CCCNc2ccncc2-c2nn[nH]n2)cs1 ZINC001574424730 948860636 /nfs/dbraw/zinc/86/06/36/948860636.db2.gz SSEZSLWIQQXZGB-UHFFFAOYSA-N 0 1 386.485 1.838 20 0 GDADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574919361 948871930 /nfs/dbraw/zinc/87/19/30/948871930.db2.gz XNSSAXMSKRRISU-AWEZNQCLSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574919361 948871947 /nfs/dbraw/zinc/87/19/47/948871947.db2.gz XNSSAXMSKRRISU-AWEZNQCLSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H]1CCCCN1C ZINC001574684918 948897968 /nfs/dbraw/zinc/89/79/68/948897968.db2.gz PEANZCPMJHONAL-RISCZKNCSA-N 0 1 392.895 1.706 20 0 GDADMN C[C@@H](CNC(=O)CCc1ncccn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921188 948917974 /nfs/dbraw/zinc/91/79/74/948917974.db2.gz UXUHNSLJCXPIMB-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](CNC(=O)CCc1ncccn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921188 948917983 /nfs/dbraw/zinc/91/79/83/948917983.db2.gz UXUHNSLJCXPIMB-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001574427998 948919993 /nfs/dbraw/zinc/91/99/93/948919993.db2.gz XFAMVINNEQDIBU-SNVBAGLBSA-N 0 1 385.457 1.245 20 0 GDADMN C[C@@H](CNC(=O)CCc1ncccn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574921450 948923442 /nfs/dbraw/zinc/92/34/42/948923442.db2.gz XTWACESWNLNSTL-LBPRGKRZSA-N 0 1 384.419 1.023 20 0 GDADMN C[C@H](CNC(=O)CCc1ncccn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574921449 948924633 /nfs/dbraw/zinc/92/46/33/948924633.db2.gz XTWACESWNLNSTL-GFCCVEGCSA-N 0 1 384.419 1.023 20 0 GDADMN CC(C)c1ncsc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574432526 948935516 /nfs/dbraw/zinc/93/55/16/948935516.db2.gz LXAWNMGYVSOILQ-JTQLQIEISA-N 0 1 387.473 1.231 20 0 GDADMN CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574432689 948939001 /nfs/dbraw/zinc/93/90/01/948939001.db2.gz AGSFUMSYSHTFSD-NSHDSACASA-N 0 1 384.469 1.590 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573771661 948943948 /nfs/dbraw/zinc/94/39/48/948943948.db2.gz KHZBVLPVJCVUMY-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573771857 948947981 /nfs/dbraw/zinc/94/79/81/948947981.db2.gz MPVAZUOVQVLPRN-GXTWGEPZSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089961 948974281 /nfs/dbraw/zinc/97/42/81/948974281.db2.gz GSQDRDVSXVUKFF-LSDHHAIUSA-N 0 1 384.488 1.624 20 0 GDADMN CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001574090260 948978945 /nfs/dbraw/zinc/97/89/45/948978945.db2.gz MKBJWUNXLLMKGC-VOMKJEOTSA-N 0 1 381.484 1.839 20 0 GDADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926468 949003165 /nfs/dbraw/zinc/00/31/65/949003165.db2.gz RKDVACMIGFOLBA-GFCCVEGCSA-N 0 1 377.468 1.900 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926468 949003182 /nfs/dbraw/zinc/00/31/82/949003182.db2.gz RKDVACMIGFOLBA-GFCCVEGCSA-N 0 1 377.468 1.900 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574091393 949014350 /nfs/dbraw/zinc/01/43/50/949014350.db2.gz KWLMXINYZJMGKV-UONOGXRCSA-N 0 1 385.472 1.053 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001573779234 949054706 /nfs/dbraw/zinc/05/47/06/949054706.db2.gz DSAKNSKGPHPRHD-HNNXBMFYSA-N 0 1 392.467 1.720 20 0 GDADMN CC(C)c1nocc1C(=O)N1C[C@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574441893 949081827 /nfs/dbraw/zinc/08/18/27/949081827.db2.gz DSLLYBWFPSJNHO-XHDPSFHLSA-N 0 1 382.428 1.368 20 0 GDADMN CC(C)c1nocc1C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001574441892 949083712 /nfs/dbraw/zinc/08/37/12/949083712.db2.gz DSLLYBWFPSJNHO-NHYWBVRUSA-N 0 1 382.428 1.368 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574694892 949095041 /nfs/dbraw/zinc/09/50/41/949095041.db2.gz XQOCBWVRAVCEAJ-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574694892 949095064 /nfs/dbraw/zinc/09/50/64/949095064.db2.gz XQOCBWVRAVCEAJ-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN CC(C)(C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573782022 949115147 /nfs/dbraw/zinc/11/51/47/949115147.db2.gz OTAVGDZDLWXOSH-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250937 949121227 /nfs/dbraw/zinc/12/12/27/949121227.db2.gz JFLWKUYTLXMTDX-QWHCGFSZSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250937 949121216 /nfs/dbraw/zinc/12/12/16/949121216.db2.gz JFLWKUYTLXMTDX-QWHCGFSZSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@H](NC(=O)[C@]1(F)CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575251989 949152683 /nfs/dbraw/zinc/15/26/83/949152683.db2.gz DFNDSUQUSXAIDH-VOJFVSQTSA-N 0 1 392.410 1.071 20 0 GDADMN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573786890 949155786 /nfs/dbraw/zinc/15/57/86/949155786.db2.gz BVZNGJHCEQFSLE-BBBLOLIVSA-N 0 1 378.387 1.174 20 0 GDADMN C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574934764 949175258 /nfs/dbraw/zinc/17/52/58/949175258.db2.gz QCVUDNMESFRNRD-GFCCVEGCSA-N 0 1 385.403 1.066 20 0 GDADMN C[C@H](CN(C)C(=O)C(C1CCC1)C1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698289 949182479 /nfs/dbraw/zinc/18/24/79/949182479.db2.gz IUFZXWJKLQPHFT-GFCCVEGCSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574934954 949187921 /nfs/dbraw/zinc/18/79/21/949187921.db2.gz VXUQGCSRNCDZDK-CYBMUJFWSA-N 0 1 384.415 1.679 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574449380 949195241 /nfs/dbraw/zinc/19/52/41/949195241.db2.gz QEEFWFDBMZKBAY-OAHLLOKOSA-N 0 1 381.440 1.982 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575254757 949219164 /nfs/dbraw/zinc/21/91/64/949219164.db2.gz XNAXUKJQUKYJSD-CHWSQXEVSA-N 0 1 387.492 1.226 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC001575854420 949234083 /nfs/dbraw/zinc/23/40/83/949234083.db2.gz WGQNVLJSADZKSR-CYBMUJFWSA-N 0 1 382.472 1.452 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC001575854640 949238913 /nfs/dbraw/zinc/23/89/13/949238913.db2.gz YQNNJPQGZGBEHO-AWEZNQCLSA-N 0 1 385.472 1.436 20 0 GDADMN C[C@H]1CCC[C@]1(C)C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576152541 949253230 /nfs/dbraw/zinc/25/32/30/949253230.db2.gz JJWWKIZDUIWCSO-DJJJIMSYSA-N 0 1 384.488 1.698 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC001589605464 949254722 /nfs/dbraw/zinc/25/47/22/949254722.db2.gz SBUKRDYTIWTXKF-PXAZEXFGSA-N 0 1 383.470 1.238 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001574452958 949273167 /nfs/dbraw/zinc/27/31/67/949273167.db2.gz SNYZXAWSYZYONK-ZDUSSCGKSA-N 0 1 386.485 1.710 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001574452958 949273202 /nfs/dbraw/zinc/27/32/02/949273202.db2.gz SNYZXAWSYZYONK-ZDUSSCGKSA-N 0 1 386.485 1.710 20 0 GDADMN C[C@H](CNC(=O)Cc1ccon1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574941408 949300553 /nfs/dbraw/zinc/30/05/53/949300553.db2.gz DFHRWTKGYYLLAG-SSDOTTSWSA-N 0 1 382.837 1.148 20 0 GDADMN C[C@H](CNC(=O)Cc1cccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574941763 949317263 /nfs/dbraw/zinc/31/72/63/949317263.db2.gz SEAONKWFZNOOCL-MRVPVSSYSA-N 0 1 378.849 1.531 20 0 GDADMN CC(C)(C)C(=O)N1CCOC2(CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001573794744 949321109 /nfs/dbraw/zinc/32/11/09/949321109.db2.gz JLFSSQVBMHLHIM-UHFFFAOYSA-N 0 1 385.472 1.506 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704194 949375247 /nfs/dbraw/zinc/37/52/47/949375247.db2.gz APCKLYZKEQYFIU-ZIAGYGMSSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704192 949377050 /nfs/dbraw/zinc/37/70/50/949377050.db2.gz APCKLYZKEQYFIU-KGLIPLIRSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)n1ccc(CNC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C2CC2)n1 ZINC001574460664 949379420 /nfs/dbraw/zinc/37/94/20/949379420.db2.gz WDMYMWUAELTDIY-MRXNPFEDSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@@H](NC(=O)C1CCOCC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263134 949386274 /nfs/dbraw/zinc/38/62/74/949386274.db2.gz DYIZPJJFMYTUMK-GFCCVEGCSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@H](CN(C)C(=O)C1=CCOCC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574705019 949413600 /nfs/dbraw/zinc/41/36/00/949413600.db2.gz QRPKTAOSVBBTEO-MRVPVSSYSA-N 0 1 383.865 1.582 20 0 GDADMN C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575264131 949417455 /nfs/dbraw/zinc/41/74/55/949417455.db2.gz LWNNTWFOKZEEMS-GHMZBOCLSA-N 0 1 380.403 1.423 20 0 GDADMN CC(C)n1cnc(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC001574464678 949420767 /nfs/dbraw/zinc/42/07/67/949420767.db2.gz QURZDUHHSZAEQC-UHFFFAOYSA-N 0 1 386.485 1.758 20 0 GDADMN CC(C)n1cnc(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574465052 949425213 /nfs/dbraw/zinc/42/52/13/949425213.db2.gz UYEOKLKADLKHPS-UHFFFAOYSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)CC(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574117478 949470137 /nfs/dbraw/zinc/47/01/37/949470137.db2.gz VMGVGWOQSGNCPS-SFHVURJKSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576157095 949475162 /nfs/dbraw/zinc/47/51/62/949475162.db2.gz PMPSHXIGPWHYLC-KBPBESRZSA-N 0 1 384.488 1.603 20 0 GDADMN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2c[nH]nc2-c2nn[nH]n2)cs1 ZINC001573806177 949483771 /nfs/dbraw/zinc/48/37/71/949483771.db2.gz JZEWUJJRJINUTO-UHFFFAOYSA-N 0 1 375.418 1.212 20 0 GDADMN C[C@H](NC(=O)CC1(O)CCC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575267700 949506458 /nfs/dbraw/zinc/50/64/58/949506458.db2.gz JZANPBJPBZJGOS-LBPRGKRZSA-N 0 1 388.447 1.247 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574711920 949563144 /nfs/dbraw/zinc/56/31/44/949563144.db2.gz NZNCMLHVRXTBEK-XHDPSFHLSA-N 0 1 381.415 1.421 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCCC[C@@H]1C ZINC001576166646 949581569 /nfs/dbraw/zinc/58/15/69/949581569.db2.gz NBZYVZADDUTZTE-RYUDHWBXSA-N 0 1 382.465 1.547 20 0 GDADMN CC1(C(=O)N2CCCC[C@@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CC1 ZINC001575544451 949583491 /nfs/dbraw/zinc/58/34/91/949583491.db2.gz CWZCXMHCNOCGIN-IBGZPJMESA-N 0 1 382.472 1.666 20 0 GDADMN C[C@H](CC(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001574477532 949659427 /nfs/dbraw/zinc/65/94/27/949659427.db2.gz OWAVUZGQBLZRPB-GFCCVEGCSA-N 0 1 384.419 1.282 20 0 GDADMN C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273567 949663332 /nfs/dbraw/zinc/66/33/32/949663332.db2.gz WQSLRWINBQMPNE-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273567 949663347 /nfs/dbraw/zinc/66/33/47/949663347.db2.gz WQSLRWINBQMPNE-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576169257 949670465 /nfs/dbraw/zinc/67/04/65/949670465.db2.gz GAXKEBGIXQBPPZ-DYVFJYSZSA-N 0 1 380.456 1.293 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574958464 949675838 /nfs/dbraw/zinc/67/58/38/949675838.db2.gz KEAQMDRGFRAWJQ-VHDGCEQUSA-N 0 1 378.440 1.047 20 0 GDADMN C[C@H](CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574958533 949681255 /nfs/dbraw/zinc/68/12/55/949681255.db2.gz SDUIZNHWIIBHKQ-RZIBCXTOSA-N 0 1 384.459 1.892 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574958809 949695773 /nfs/dbraw/zinc/69/57/73/949695773.db2.gz NRGMWJVKHMZXSJ-NILFDRSVSA-N 0 1 384.415 1.997 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573818008 949714854 /nfs/dbraw/zinc/71/48/54/949714854.db2.gz DTDGAKJVNLKYRL-DNVCBOLYSA-N 0 1 387.488 1.178 20 0 GDADMN CC1(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)CCCCCC1 ZINC001575557288 949716083 /nfs/dbraw/zinc/71/60/83/949716083.db2.gz GJBGEGRCNIXXMP-AWEZNQCLSA-N 0 1 384.488 1.746 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCCO1 ZINC001573818247 949725574 /nfs/dbraw/zinc/72/55/74/949725574.db2.gz IZCFTJILNYUEFX-CZUORRHYSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccccc1O ZINC001573818321 949731821 /nfs/dbraw/zinc/73/18/21/949731821.db2.gz KRDGIOCNZHJJHC-CYBMUJFWSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@]1(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CCCC2)CCOC1 ZINC001575558830 949746841 /nfs/dbraw/zinc/74/68/41/949746841.db2.gz SMSVKRRYTLTKNF-LPHOPBHVSA-N 0 1 385.472 1.197 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575559682 949765341 /nfs/dbraw/zinc/76/53/41/949765341.db2.gz XWLQVVYDLWSANE-DNVCBOLYSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001574140787 949840520 /nfs/dbraw/zinc/84/05/20/949840520.db2.gz QISDAAMKGMBGQY-OLMNPRSZSA-N 0 1 386.500 1.600 20 0 GDADMN C[C@@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574966356 949842594 /nfs/dbraw/zinc/84/25/94/949842594.db2.gz YAWDMEHHMXHOIK-QMMMGPOBSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574966356 949842599 /nfs/dbraw/zinc/84/25/99/949842599.db2.gz YAWDMEHHMXHOIK-QMMMGPOBSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574966353 949843707 /nfs/dbraw/zinc/84/37/07/949843707.db2.gz YAWDMEHHMXHOIK-MRVPVSSYSA-N 0 1 380.865 1.223 20 0 GDADMN C[C@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574966353 949843727 /nfs/dbraw/zinc/84/37/27/949843727.db2.gz YAWDMEHHMXHOIK-MRVPVSSYSA-N 0 1 380.865 1.223 20 0 GDADMN CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574141652 949851707 /nfs/dbraw/zinc/85/17/07/949851707.db2.gz UWEJBCHUOVPYPT-ZQDZILKHSA-N 0 1 384.488 1.527 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1cncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725253 949895701 /nfs/dbraw/zinc/89/57/01/949895701.db2.gz QJHSCBFSOQTCII-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001595277113 949931032 /nfs/dbraw/zinc/93/10/32/949931032.db2.gz VMKFHXFAXCDGOT-BXUZGUMPSA-N 0 1 382.363 1.410 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+]([C@H]1CCCN(c3ccc(OC(F)F)cc3)C1=O)C2 ZINC001595280251 949975377 /nfs/dbraw/zinc/97/53/77/949975377.db2.gz VIBSEIUFVGSAEU-ODYMNIRHSA-N 0 1 396.390 1.816 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891287 949997398 /nfs/dbraw/zinc/99/73/98/949997398.db2.gz HIWKFDVXPHZDED-ZJUUUORDSA-N 0 1 388.819 1.690 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181701 950016155 /nfs/dbraw/zinc/01/61/55/950016155.db2.gz JDPXVEJIAAEPOT-OCCSQVGLSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H]1CCN(C(=O)CCC2(C)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182021 950034200 /nfs/dbraw/zinc/03/42/00/950034200.db2.gz KMQRZMCZGIWOAX-KBPBESRZSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(C)CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001573835540 950050959 /nfs/dbraw/zinc/05/09/59/950050959.db2.gz XQHXWOIRYFOUFG-CQSZACIVSA-N 0 1 386.504 1.992 20 0 GDADMN C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182980 950076588 /nfs/dbraw/zinc/07/65/88/950076588.db2.gz OEVGIPNVRQISQZ-VXGBXAGGSA-N 0 1 379.415 1.625 20 0 GDADMN CC[N@@H+](Cc1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1)C(C)C ZINC000262188882 950081700 /nfs/dbraw/zinc/08/17/00/950081700.db2.gz GPJKKZJNIQNHCU-OAHLLOKOSA-N 0 1 377.485 1.968 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574733686 950118712 /nfs/dbraw/zinc/11/87/12/950118712.db2.gz GAAXYRXQPHTJAO-UHOFOFEASA-N 0 1 395.442 1.885 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574733967 950122298 /nfs/dbraw/zinc/12/22/98/950122298.db2.gz IEBFLUHKUMCAGB-AEGPPILISA-N 0 1 378.440 1.141 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734937 950148881 /nfs/dbraw/zinc/14/88/81/950148881.db2.gz VNGAWGJYXBCHKM-KGYLQXTDSA-N 0 1 384.469 1.203 20 0 GDADMN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)[O-])CC2)cc1 ZINC000262666306 950150293 /nfs/dbraw/zinc/15/02/93/950150293.db2.gz PPCOZXACSFWMQF-UHFFFAOYSA-N 0 1 397.497 1.452 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574734979 950154551 /nfs/dbraw/zinc/15/45/51/950154551.db2.gz WMKCQQRVYCKFPR-FZVNPBSJSA-N 0 1 383.865 1.272 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574735021 950154790 /nfs/dbraw/zinc/15/47/90/950154790.db2.gz XMOALFKNJSIBRR-AEGPPILISA-N 0 1 385.472 1.005 20 0 GDADMN C[C@@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001574494498 950164258 /nfs/dbraw/zinc/16/42/58/950164258.db2.gz ZRYRGRSSGUHMPQ-SUMWQHHRSA-N 0 1 385.472 1.552 20 0 GDADMN CC(C)C[C@H](CNc1cccc(F)c1-c1nn[nH]n1)NC(=O)Cc1nnc[nH]1 ZINC001574154074 950165417 /nfs/dbraw/zinc/16/54/17/950165417.db2.gz AUZSCKGGQJJXBV-LLVKDONJSA-N 0 1 387.423 1.309 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574982564 950171607 /nfs/dbraw/zinc/17/16/07/950171607.db2.gz DJPLBJURDZYWDQ-NSHDSACASA-N 0 1 383.460 1.537 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccncn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899530 950174709 /nfs/dbraw/zinc/17/47/09/950174709.db2.gz XLRIMUZGDLDGIR-XJKSGUPXSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576190893 950175927 /nfs/dbraw/zinc/17/59/27/950175927.db2.gz CJNWEMVLARCXBH-AWEZNQCLSA-N 0 1 386.504 1.500 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576190893 950175933 /nfs/dbraw/zinc/17/59/33/950175933.db2.gz CJNWEMVLARCXBH-AWEZNQCLSA-N 0 1 386.504 1.500 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574154759 950178278 /nfs/dbraw/zinc/17/82/78/950178278.db2.gz HDZIZZDOUQCPEI-GOEBONIOSA-N 0 1 392.467 1.361 20 0 GDADMN CC(C)(C)CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001573844369 950193353 /nfs/dbraw/zinc/19/33/53/950193353.db2.gz HUGKQISVASPDPF-CQSZACIVSA-N 0 1 387.488 1.594 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574155578 950202697 /nfs/dbraw/zinc/20/26/97/950202697.db2.gz OHFBMFXTWVTXCJ-NXEZZACHSA-N 0 1 386.382 1.220 20 0 GDADMN C[C@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574741751 950256254 /nfs/dbraw/zinc/25/62/54/950256254.db2.gz BYVAMHCYPGSATK-LLVKDONJSA-N 0 1 383.460 1.277 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ncccc1[O-] ZINC001575907153 950325426 /nfs/dbraw/zinc/32/54/26/950325426.db2.gz LWYVFZSJKFYEOB-JQWIXIFHSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001574501648 950336102 /nfs/dbraw/zinc/33/61/02/950336102.db2.gz FTIDTTBUOOMCGA-OAHLLOKOSA-N 0 1 379.468 1.868 20 0 GDADMN C[C@@H]1[C@@H](NCc2nccn2C(F)F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908195 950355484 /nfs/dbraw/zinc/35/54/84/950355484.db2.gz AWNSOBFPCLSYKX-KOLCDFICSA-N 0 1 391.386 1.179 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576196478 950364628 /nfs/dbraw/zinc/36/46/28/950364628.db2.gz FDSMWRKVRYHFFX-LIRRHRJNSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576196478 950364651 /nfs/dbraw/zinc/36/46/51/950364651.db2.gz FDSMWRKVRYHFFX-LIRRHRJNSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001574744733 950365852 /nfs/dbraw/zinc/36/58/52/950365852.db2.gz ACNIPEPJRNBEAE-LLVKDONJSA-N 0 1 383.460 1.277 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001574502683 950390365 /nfs/dbraw/zinc/39/03/65/950390365.db2.gz PUYOOLLCYVQRRJ-HNNXBMFYSA-N 0 1 379.468 1.868 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576198836 950415630 /nfs/dbraw/zinc/41/56/30/950415630.db2.gz VQXHQUYUVAYHFE-ZBFHGGJFSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576198836 950415639 /nfs/dbraw/zinc/41/56/39/950415639.db2.gz VQXHQUYUVAYHFE-ZBFHGGJFSA-N 0 1 384.488 1.031 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573861109 950439921 /nfs/dbraw/zinc/43/99/21/950439921.db2.gz UCOCGAKBWFBYLM-HZPDHXFCSA-N 0 1 388.472 1.889 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@H](O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC001573861108 950441821 /nfs/dbraw/zinc/44/18/21/950441821.db2.gz UCOCGAKBWFBYLM-CVEARBPZSA-N 0 1 388.472 1.889 20 0 GDADMN C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576205547 950525802 /nfs/dbraw/zinc/52/58/02/950525802.db2.gz ZZDGXWYKMUJHND-WOSRLPQWSA-N 0 1 387.463 1.606 20 0 GDADMN C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576205547 950525820 /nfs/dbraw/zinc/52/58/20/950525820.db2.gz ZZDGXWYKMUJHND-WOSRLPQWSA-N 0 1 387.463 1.606 20 0 GDADMN C[C@H](CNC(=O)CN1CCC(C)CC1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001576205716 950533941 /nfs/dbraw/zinc/53/39/41/950533941.db2.gz NKPCRQGMBHGKBN-CYBMUJFWSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574509823 950534355 /nfs/dbraw/zinc/53/43/55/950534355.db2.gz YNRNPFOSXWPXGA-IIAWOOMASA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)on1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574998891 950562459 /nfs/dbraw/zinc/56/24/59/950562459.db2.gz CDABPNKUBYITNR-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206130 950562525 /nfs/dbraw/zinc/56/25/25/950562525.db2.gz UZWGAVZXLZJBRQ-CJNGLKHVSA-N 0 1 389.479 1.900 20 0 GDADMN CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206130 950562539 /nfs/dbraw/zinc/56/25/39/950562539.db2.gz UZWGAVZXLZJBRQ-CJNGLKHVSA-N 0 1 389.479 1.900 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575615553 950567906 /nfs/dbraw/zinc/56/79/06/950567906.db2.gz AMTBYIDWGMJVMZ-LLVKDONJSA-N 0 1 392.529 1.567 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575615553 950567919 /nfs/dbraw/zinc/56/79/19/950567919.db2.gz AMTBYIDWGMJVMZ-LLVKDONJSA-N 0 1 392.529 1.567 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cccc(F)c1F ZINC001574756271 950605423 /nfs/dbraw/zinc/60/54/23/950605423.db2.gz YBZSWSYXLGJUFP-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)no1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575000828 950616452 /nfs/dbraw/zinc/61/64/52/950616452.db2.gz GMHWBJKUHPPPKN-QMMMGPOBSA-N 0 1 379.783 1.555 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575919844 950624759 /nfs/dbraw/zinc/62/47/59/950624759.db2.gz KNMRDCMFSGRLNO-DZGCQCFKSA-N 0 1 378.440 1.113 20 0 GDADMN C[C@@H]1CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[nH]n2)C[C@H]1O ZINC001576213790 950646315 /nfs/dbraw/zinc/64/63/15/950646315.db2.gz IFFWDAXPUJXMFS-MWLCHTKSSA-N 0 1 379.467 1.473 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccc2cnccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574760155 950655094 /nfs/dbraw/zinc/65/50/94/950655094.db2.gz UKJMEECXEDYUGG-ZDUSSCGKSA-N 0 1 388.435 1.804 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CC1=O ZINC001589745059 950678838 /nfs/dbraw/zinc/67/88/38/950678838.db2.gz VTSHZVVBWGBOFF-JZXOWHBKSA-N 0 1 399.491 1.924 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001575925392 950684789 /nfs/dbraw/zinc/68/47/89/950684789.db2.gz URNAWGXBRSODIO-RISCZKNCSA-N 0 1 389.423 1.275 20 0 GDADMN CC(C)CCC(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001574180293 950721059 /nfs/dbraw/zinc/72/10/59/950721059.db2.gz QVIILBHBMVFAGI-UHFFFAOYSA-N 0 1 386.504 1.690 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001575927761 950755844 /nfs/dbraw/zinc/75/58/44/950755844.db2.gz UBENQMPKKWEMPN-BBRMVZONSA-N 0 1 378.440 1.113 20 0 GDADMN CC1(C)CC(CC(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)C1 ZINC001575631523 950773523 /nfs/dbraw/zinc/77/35/23/950773523.db2.gz NZXKGUFKOQNJGV-CYBMUJFWSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C)CC(CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575631501 950775248 /nfs/dbraw/zinc/77/52/48/950775248.db2.gz MSLYIFBHHMKCCT-CYBMUJFWSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCO1 ZINC001574523190 950806988 /nfs/dbraw/zinc/80/69/88/950806988.db2.gz MQJSRHPWYWXYCX-QWRGUYRKSA-N 0 1 378.458 1.189 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCO1 ZINC001574523190 950807003 /nfs/dbraw/zinc/80/70/03/950807003.db2.gz MQJSRHPWYWXYCX-QWRGUYRKSA-N 0 1 378.458 1.189 20 0 GDADMN CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001590137139 950818349 /nfs/dbraw/zinc/81/83/49/950818349.db2.gz DIFWWUCJQSMMSP-KMFGOTIKSA-N 0 1 375.421 1.877 20 0 GDADMN CCOC(=O)[C@@H](c1ccccc1)[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001590137139 950818375 /nfs/dbraw/zinc/81/83/75/950818375.db2.gz DIFWWUCJQSMMSP-KMFGOTIKSA-N 0 1 375.421 1.877 20 0 GDADMN CC(C)C(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001576220181 950823728 /nfs/dbraw/zinc/82/37/28/950823728.db2.gz VYQSTHFZAFYTOU-KGLIPLIRSA-N 0 1 386.504 1.657 20 0 GDADMN CC(C)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574186961 950826044 /nfs/dbraw/zinc/82/60/44/950826044.db2.gz KVHWYNGXMOPAEH-CABCVRRESA-N 0 1 386.504 1.944 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)C1=CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574524452 950856792 /nfs/dbraw/zinc/85/67/92/950856792.db2.gz WNKIHUAHNAWTPI-NEPJUHHUSA-N 0 1 376.486 1.648 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)C1=CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574524452 950856807 /nfs/dbraw/zinc/85/68/07/950856807.db2.gz WNKIHUAHNAWTPI-NEPJUHHUSA-N 0 1 376.486 1.648 20 0 GDADMN CCOC(=O)C1CCC(O)(C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC1 ZINC001590208415 950889089 /nfs/dbraw/zinc/88/90/89/950889089.db2.gz LRFKEFURYZEXJW-SIRSKZSMSA-N 0 1 393.484 1.395 20 0 GDADMN CC(C)(CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573893578 950891527 /nfs/dbraw/zinc/89/15/27/950891527.db2.gz LVFVBKMENIDFFJ-SECBINFHSA-N 0 1 384.366 1.070 20 0 GDADMN CC(C)(C)n1cc(CNC2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)cn1 ZINC001573893887 950911238 /nfs/dbraw/zinc/91/12/38/950911238.db2.gz AJLHHFCLQDMISF-UHFFFAOYSA-N 0 1 383.460 1.199 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574527993 950919592 /nfs/dbraw/zinc/91/95/92/950919592.db2.gz JNFPVKQZSYWPFB-MNOVXSKESA-N 0 1 387.469 1.716 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1ncccc1O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574527993 950919607 /nfs/dbraw/zinc/91/96/07/950919607.db2.gz JNFPVKQZSYWPFB-MNOVXSKESA-N 0 1 387.469 1.716 20 0 GDADMN CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001573894155 950923127 /nfs/dbraw/zinc/92/31/27/950923127.db2.gz OAKZYBHJMBQXRM-BETUJISGSA-N 0 1 381.444 1.008 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573896127 950948325 /nfs/dbraw/zinc/94/83/25/950948325.db2.gz GDXJUWJDNUOIOF-TZMCWYRMSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573897323 950959922 /nfs/dbraw/zinc/95/99/22/950959922.db2.gz OJIYVJKUXZSWKK-OAHLLOKOSA-N 0 1 392.467 1.720 20 0 GDADMN CC(C)(CC(=O)NCCCNc1ccncc1-c1nn[nH]n1)c1ccccc1 ZINC001573899534 950977831 /nfs/dbraw/zinc/97/78/31/950977831.db2.gz CMVWNFVKILHNEH-UHFFFAOYSA-N 0 1 379.468 1.970 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CC(F)(F)C1 ZINC001574774050 951004206 /nfs/dbraw/zinc/00/42/06/951004206.db2.gz BQVLONDEYROOGA-JTQLQIEISA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C2CCC2)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575021675 951068201 /nfs/dbraw/zinc/06/82/01/951068201.db2.gz FXRUUPHPBQZNBZ-GFCCVEGCSA-N 0 1 378.440 1.577 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575023288 951076151 /nfs/dbraw/zinc/07/61/51/951076151.db2.gz MDZZGPSZROIDKF-MRVPVSSYSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024338 951097669 /nfs/dbraw/zinc/09/76/69/951097669.db2.gz BEIOAEHSEGTXIW-LBPRGKRZSA-N 0 1 378.440 1.188 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[NH2+][C@H](C)c2cn[nH]c2)c(C(=O)[O-])c1C ZINC001591466303 951144226 /nfs/dbraw/zinc/14/42/26/951144226.db2.gz APMGXACEZKTNNQ-SECBINFHSA-N 0 1 380.426 1.944 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c(C(=O)[O-])c1C ZINC001591466778 951148391 /nfs/dbraw/zinc/14/83/91/951148391.db2.gz NGSYLIBYDLHACZ-PWSUYJOCSA-N 0 1 398.481 1.820 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](CO)C2)c(C(=O)[O-])c1C ZINC001591466778 951148398 /nfs/dbraw/zinc/14/83/98/951148398.db2.gz NGSYLIBYDLHACZ-PWSUYJOCSA-N 0 1 398.481 1.820 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)c(C(=O)[O-])c1C ZINC001591467181 951151679 /nfs/dbraw/zinc/15/16/79/951151679.db2.gz WOTRRDJPIRVGBD-ONGXEEELSA-N 0 1 384.454 1.573 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)c(C(=O)[O-])c1C ZINC001591467181 951151685 /nfs/dbraw/zinc/15/16/85/951151685.db2.gz WOTRRDJPIRVGBD-ONGXEEELSA-N 0 1 384.454 1.573 20 0 GDADMN C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575031787 951204912 /nfs/dbraw/zinc/20/49/12/951204912.db2.gz IUMWUAGBLJZEFL-VIFPVBQESA-N 0 1 389.370 1.244 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043784 951403109 /nfs/dbraw/zinc/40/31/09/951403109.db2.gz VGRSRKSAFAHLJT-JTQLQIEISA-N 0 1 386.485 1.447 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575043784 951403115 /nfs/dbraw/zinc/40/31/15/951403115.db2.gz VGRSRKSAFAHLJT-JTQLQIEISA-N 0 1 386.485 1.447 20 0 GDADMN CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)c1 ZINC001575045722 951430603 /nfs/dbraw/zinc/43/06/03/951430603.db2.gz GDBXCGZXOSYXPU-GFCCVEGCSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575045818 951432835 /nfs/dbraw/zinc/43/28/35/951432835.db2.gz INBXKILQVFBTDM-NSHDSACASA-N 0 1 384.419 1.057 20 0 GDADMN CC(C)n1ncc(C(=O)NC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)c1Cl ZINC001575052410 951463923 /nfs/dbraw/zinc/46/39/23/951463923.db2.gz ISFBWSNMZMUFTK-SNVBAGLBSA-N 0 1 389.851 1.345 20 0 GDADMN C[C@@H](CNC(=O)c1cnns1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575053851 951486162 /nfs/dbraw/zinc/48/61/62/951486162.db2.gz FYQTUFBSIPOVEQ-YFKPBYRVSA-N 0 1 385.866 1.306 20 0 GDADMN C[C@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575055491 951507231 /nfs/dbraw/zinc/50/72/31/951507231.db2.gz VQWWMDHMNOAJPO-LLVKDONJSA-N 0 1 386.485 1.443 20 0 GDADMN C[C@H](CNC(=O)c1cnn(CC2CC2)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575055491 951507238 /nfs/dbraw/zinc/50/72/38/951507238.db2.gz VQWWMDHMNOAJPO-LLVKDONJSA-N 0 1 386.485 1.443 20 0 GDADMN C[C@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575062147 951566488 /nfs/dbraw/zinc/56/64/88/951566488.db2.gz URDLLQITQDBGFO-SSDOTTSWSA-N 0 1 383.890 1.946 20 0 GDADMN C[C@H](CNC(=O)c1ncc(Cl)s1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575062147 951566495 /nfs/dbraw/zinc/56/64/95/951566495.db2.gz URDLLQITQDBGFO-SSDOTTSWSA-N 0 1 383.890 1.946 20 0 GDADMN C[C@@H](CNC(=O)c1nn(C)cc1Cl)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575067733 951620713 /nfs/dbraw/zinc/62/07/13/951620713.db2.gz XFYOXYFICGMBQJ-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCc1ccon1 ZINC001575089504 951750640 /nfs/dbraw/zinc/75/06/40/951750640.db2.gz GGUWMVSWVPLCRR-LBPRGKRZSA-N 0 1 387.419 1.563 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cncc(F)c1 ZINC001575090688 951763196 /nfs/dbraw/zinc/76/31/96/951763196.db2.gz NGYHGTVIFPGBJE-LLVKDONJSA-N 0 1 387.394 1.790 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1OCCCO1 ZINC001575091715 951781832 /nfs/dbraw/zinc/78/18/32/951781832.db2.gz WRYVEXSCMSGQNF-GFCCVEGCSA-N 0 1 392.435 1.095 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575091734 951782177 /nfs/dbraw/zinc/78/21/77/951782177.db2.gz XCRLMWBNJXUEPF-XIKOKIGWSA-N 0 1 376.436 1.369 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575103005 951871935 /nfs/dbraw/zinc/87/19/35/951871935.db2.gz QNCVURPYCKLPAR-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575103005 951871941 /nfs/dbraw/zinc/87/19/41/951871941.db2.gz QNCVURPYCKLPAR-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575127596 952059898 /nfs/dbraw/zinc/05/98/98/952059898.db2.gz YUQSDTQWIRPDEV-PBHICJAKSA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575127596 952059906 /nfs/dbraw/zinc/05/99/06/952059906.db2.gz YUQSDTQWIRPDEV-PBHICJAKSA-N 0 1 386.504 1.783 20 0 GDADMN C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575133575 952105462 /nfs/dbraw/zinc/10/54/62/952105462.db2.gz LGPHPXPZOVAMTE-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc2cc[nH]c21 ZINC001575144074 952160798 /nfs/dbraw/zinc/16/07/98/952160798.db2.gz FYPDDTPWJALGFP-NSHDSACASA-N 0 1 377.412 1.133 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575144900 952174385 /nfs/dbraw/zinc/17/43/85/952174385.db2.gz ZCVMMVFSWSNRJL-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575145209 952180713 /nfs/dbraw/zinc/18/07/13/952180713.db2.gz SOLYYLQVDXMSLQ-OCCSQVGLSA-N 0 1 378.440 1.067 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575147161 952198430 /nfs/dbraw/zinc/19/84/30/952198430.db2.gz RGUAAZKVHQKFTB-SNVBAGLBSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@@H](Cc1ccccn1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001575190610 952463549 /nfs/dbraw/zinc/46/35/49/952463549.db2.gz URSQIMJEYJFIFS-VIFPVBQESA-N 0 1 380.380 1.449 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001575195391 952472286 /nfs/dbraw/zinc/47/22/86/952472286.db2.gz ASKBPOILQHJLAT-RBSFLKMASA-N 0 1 395.467 1.922 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575196139 952474050 /nfs/dbraw/zinc/47/40/50/952474050.db2.gz DOMKFKHYDOCVGW-OGHNNQOOSA-N 0 1 381.440 1.414 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575197728 952487029 /nfs/dbraw/zinc/48/70/29/952487029.db2.gz YWUGDRPMWJQHMJ-LBPRGKRZSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1CC(CNc2ncccc2-c2nn[nH]n2)C1 ZINC001575201141 952500568 /nfs/dbraw/zinc/50/05/68/952500568.db2.gz NMTRAMWJMNLBOW-HIFPTAJRSA-N 0 1 381.444 1.170 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC1(F)F ZINC001571120369 952501613 /nfs/dbraw/zinc/50/16/13/952501613.db2.gz LUNCGUMTDNVUQO-HIFRSBDPSA-N 0 1 376.411 1.993 20 0 GDADMN CC(F)(F)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@]2(C)C1 ZINC001571120473 952503735 /nfs/dbraw/zinc/50/37/35/952503735.db2.gz NGSVIRVOSZHDJL-PBHICJAKSA-N 0 1 376.411 1.802 20 0 GDADMN O=C([C@@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571122784 952526271 /nfs/dbraw/zinc/52/62/71/952526271.db2.gz LDDXWGLHBPOJAU-QWHCGFSZSA-N 0 1 376.486 1.293 20 0 GDADMN O=C([C@@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571122784 952526274 /nfs/dbraw/zinc/52/62/74/952526274.db2.gz LDDXWGLHBPOJAU-QWHCGFSZSA-N 0 1 376.486 1.293 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1)c1cncnc1 ZINC001571123070 952527765 /nfs/dbraw/zinc/52/77/65/952527765.db2.gz NOTLXRJAZAHTOR-IKGGRYGDSA-N 0 1 376.424 1.192 20 0 GDADMN NC(=O)c1ccc(NC(=O)CCN2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001571125048 952546117 /nfs/dbraw/zinc/54/61/17/952546117.db2.gz YULNXQVNTXXUCR-UHFFFAOYSA-N 0 1 377.408 1.310 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001575213614 952558945 /nfs/dbraw/zinc/55/89/45/952558945.db2.gz COZVJOROCPBMPL-LLVKDONJSA-N 0 1 379.415 1.768 20 0 GDADMN Cc1ccncc1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571127865 952561306 /nfs/dbraw/zinc/56/13/06/952561306.db2.gz LCVJIQQMSRQWGH-QGZVFWFLSA-N 0 1 377.452 1.965 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575214062 952561334 /nfs/dbraw/zinc/56/13/34/952561334.db2.gz GMNWSJWAEXANGN-VIFPVBQESA-N 0 1 388.444 1.176 20 0 GDADMN Cc1ccccc1CC(=O)N1C[C@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571128665 952569696 /nfs/dbraw/zinc/56/96/96/952569696.db2.gz WIXBMDJTQOSJKD-KBXCAEBGSA-N 0 1 377.452 1.494 20 0 GDADMN CC1(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001571129768 952576889 /nfs/dbraw/zinc/57/68/89/952576889.db2.gz IMUZPIATONARHB-JTQLQIEISA-N 0 1 378.387 1.177 20 0 GDADMN Cc1ccncc1C(=O)N[C@H]1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571134004 952583530 /nfs/dbraw/zinc/58/35/30/952583530.db2.gz BCORCMPZWCSTCV-KBPBESRZSA-N 0 1 378.440 1.540 20 0 GDADMN Cc1ccc(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571134321 952588334 /nfs/dbraw/zinc/58/83/34/952588334.db2.gz HMVUJHQZVAQIOX-OAHLLOKOSA-N 0 1 378.440 1.293 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)c3ccc[nH]3)C23CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134465 952590763 /nfs/dbraw/zinc/59/07/63/952590763.db2.gz IKMYOZVZUFGMPF-JKSUJKDBSA-N 0 1 378.440 1.473 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3ccc[nH]3)C23CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134463 952591178 /nfs/dbraw/zinc/59/11/78/952591178.db2.gz IKMYOZVZUFGMPF-HOTGVXAUSA-N 0 1 378.440 1.473 20 0 GDADMN Cc1cccc(CC(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571135152 952600225 /nfs/dbraw/zinc/60/02/25/952600225.db2.gz SGDVINWIUOPXCP-HNNXBMFYSA-N 0 1 378.440 1.033 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135311 952602872 /nfs/dbraw/zinc/60/28/72/952602872.db2.gz VOFMNMODWGAOER-CYBMUJFWSA-N 0 1 378.440 1.135 20 0 GDADMN Cc1ccccc1C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135526 952604296 /nfs/dbraw/zinc/60/42/96/952604296.db2.gz ZWBLBWVYCMKVHW-AWEZNQCLSA-N 0 1 378.440 1.351 20 0 GDADMN Cc1cc(C)cc(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571135577 952606106 /nfs/dbraw/zinc/60/61/06/952606106.db2.gz XIPLTNCJTDUDFV-OAHLLOKOSA-N 0 1 378.440 1.211 20 0 GDADMN C[C@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001571139071 952618547 /nfs/dbraw/zinc/61/85/47/952618547.db2.gz BLHQMHZPMWKKSI-BZNIZROVSA-N 0 1 379.415 1.625 20 0 GDADMN O=C(c1ccccc1)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571140554 952626599 /nfs/dbraw/zinc/62/65/99/952626599.db2.gz CTLPPCBNZSTHKL-OAHLLOKOSA-N 0 1 378.440 1.576 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1c[nH]nc1C1CC1 ZINC001571142516 952643199 /nfs/dbraw/zinc/64/31/99/952643199.db2.gz SWHWXPZMVRNBPZ-AWEZNQCLSA-N 0 1 378.440 1.472 20 0 GDADMN C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001571150662 952669247 /nfs/dbraw/zinc/66/92/47/952669247.db2.gz DPFXYIGKUDNPKI-UWVGGRQHSA-N 0 1 379.467 1.473 20 0 GDADMN C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001571150661 952669496 /nfs/dbraw/zinc/66/94/96/952669496.db2.gz DPFXYIGKUDNPKI-NXEZZACHSA-N 0 1 379.467 1.473 20 0 GDADMN Cc1cc(N(C)[C@@H]2CCCN(C(=O)c3cnccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158085 952709789 /nfs/dbraw/zinc/70/97/89/952709789.db2.gz QRSFQKNXDHUCQN-CYBMUJFWSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cnc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cn1 ZINC001571158136 952710337 /nfs/dbraw/zinc/71/03/37/952710337.db2.gz RXSAFQGVPPDMMU-ZDUSSCGKSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1coc(C(=O)N2CCC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c1 ZINC001571160099 952723789 /nfs/dbraw/zinc/72/37/89/952723789.db2.gz DPYBGEAGCBIUHI-QWHCGFSZSA-N 0 1 380.412 1.299 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CC1(F)F ZINC001571165276 952749977 /nfs/dbraw/zinc/74/99/77/952749977.db2.gz ASTYXALTTVFZEC-QTKMDUPCSA-N 0 1 380.424 1.805 20 0 GDADMN CCc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571165549 952752097 /nfs/dbraw/zinc/75/20/97/952752097.db2.gz DKZGSAPLCGVTCD-CYBMUJFWSA-N 0 1 380.456 1.941 20 0 GDADMN CCc1[nH]ccc1C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571167213 952771654 /nfs/dbraw/zinc/77/16/54/952771654.db2.gz YJRJKSVMQVDPSA-CYBMUJFWSA-N 0 1 380.456 1.799 20 0 GDADMN Cc1cnn(CC(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC001571169762 952778234 /nfs/dbraw/zinc/77/82/34/952778234.db2.gz MGIOCJVWPZRXLQ-UHFFFAOYSA-N 0 1 380.456 1.106 20 0 GDADMN Cc1cc(NC[C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169838 952779115 /nfs/dbraw/zinc/77/91/15/952779115.db2.gz PBHQAFCBPWBBIY-GXTWGEPZSA-N 0 1 380.456 1.069 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172552 952808151 /nfs/dbraw/zinc/80/81/51/952808151.db2.gz XBLINWRFQBXCTR-NWDGAFQWSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172552 952808156 /nfs/dbraw/zinc/80/81/56/952808156.db2.gz XBLINWRFQBXCTR-NWDGAFQWSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172552 952808160 /nfs/dbraw/zinc/80/81/60/952808160.db2.gz XBLINWRFQBXCTR-NWDGAFQWSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172552 952808164 /nfs/dbraw/zinc/80/81/64/952808164.db2.gz XBLINWRFQBXCTR-NWDGAFQWSA-N 0 1 380.543 1.960 20 0 GDADMN C[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1NC(=O)c1ccccn1 ZINC001571178644 952844901 /nfs/dbraw/zinc/84/49/01/952844901.db2.gz POXRKBZESKNGPG-SJKOYZFVSA-N 0 1 381.415 1.651 20 0 GDADMN Cc1occc1C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571179506 952852883 /nfs/dbraw/zinc/85/28/83/952852883.db2.gz FJTSZLVFPBAVNH-BXUZGUMPSA-N 0 1 381.440 1.714 20 0 GDADMN Cc1cc(CC(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571179954 952858108 /nfs/dbraw/zinc/85/81/08/952858108.db2.gz KZFPCRVYXUPXFJ-MRXNPFEDSA-N 0 1 381.440 1.486 20 0 GDADMN Cc1nocc1C(=O)N[C@@H]1CC[C@@H](C)N(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571180462 952860232 /nfs/dbraw/zinc/86/02/32/952860232.db2.gz OUIQJIABSRIWGN-MLGOLLRUSA-N 0 1 381.440 1.946 20 0 GDADMN Cc1cc(N[C@@H]2CCC[C@H](NC(=O)Cc3ccoc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180572 952860433 /nfs/dbraw/zinc/86/04/33/952860433.db2.gz QTQTXOCUHMKBST-CABCVRRESA-N 0 1 381.440 1.667 20 0 GDADMN COc1ccc(CN2CC([C@@H](C)NC(=O)c3ccc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571182705 952866976 /nfs/dbraw/zinc/86/69/76/952866976.db2.gz CERBNZYPRDGISF-GFCCVEGCSA-N 0 1 381.440 1.454 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC001571182727 952868951 /nfs/dbraw/zinc/86/89/51/952868951.db2.gz CUKLPQQRWBUWPG-SUMWQHHRSA-N 0 1 381.415 1.680 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccoc1 ZINC001571182970 952871567 /nfs/dbraw/zinc/87/15/67/952871567.db2.gz LAFRZVPKCWRAPM-UKRRQHHQSA-N 0 1 381.440 1.701 20 0 GDADMN CCCc1[nH]ccc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001571183474 952878280 /nfs/dbraw/zinc/87/82/80/952878280.db2.gz BEECZYGKNFQOQY-NWDGAFQWSA-N 0 1 381.444 1.074 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@@H]2C)n1 ZINC001571188125 952912732 /nfs/dbraw/zinc/91/27/32/952912732.db2.gz GBMRMKUERJMHMO-NHYWBVRUSA-N 0 1 381.444 1.185 20 0 GDADMN Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)[nH]1 ZINC001571188346 952913207 /nfs/dbraw/zinc/91/32/07/952913207.db2.gz IZSQPNDIJQZRCT-CHWSQXEVSA-N 0 1 381.444 1.034 20 0 GDADMN Cc1ncc(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)n1C ZINC001571188851 952920505 /nfs/dbraw/zinc/92/05/05/952920505.db2.gz OCRXMJWUQYMURQ-ZDUSSCGKSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)n1C ZINC001571189374 952929592 /nfs/dbraw/zinc/92/95/92/952929592.db2.gz VUWJMWRPXAFTRW-OLZOCXBDSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1cc(C(=O)NC2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)n(C)n1 ZINC001571189598 952932577 /nfs/dbraw/zinc/93/25/77/952932577.db2.gz XZVDTSDWOWKIMS-UHFFFAOYSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1nc(N[C@@H]2CCCCCN(C(=O)c3ccn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189873 952936370 /nfs/dbraw/zinc/93/63/70/952936370.db2.gz YGGZYSTUELMFRR-CYBMUJFWSA-N 0 1 381.444 1.790 20 0 GDADMN C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571190791 952944105 /nfs/dbraw/zinc/94/41/05/952944105.db2.gz LZHPLZSKZVTRFJ-GXNBUGAJSA-N 0 1 381.484 1.983 20 0 GDADMN O=c1cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001571194426 952963359 /nfs/dbraw/zinc/96/33/59/952963359.db2.gz MGLSECPYPUCIII-VIFPVBQESA-N 0 1 382.350 1.779 20 0 GDADMN CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)no1 ZINC001571199432 952998797 /nfs/dbraw/zinc/99/87/97/952998797.db2.gz QQANLJHVGLJTAX-HUUCEWRRSA-N 0 1 382.428 1.387 20 0 GDADMN CCc1ncoc1C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571199443 952999215 /nfs/dbraw/zinc/99/92/15/952999215.db2.gz RGWABNQIHKIGFZ-HAQNSBGRSA-N 0 1 382.428 1.163 20 0 GDADMN COc1ccc(CN2CC(CNC(=O)c3ccoc3C)C2)cc1-c1nn[nH]n1 ZINC001571199734 953004051 /nfs/dbraw/zinc/00/40/51/953004051.db2.gz AMWKLYRVQDKYAU-UHFFFAOYSA-N 0 1 382.424 1.639 20 0 GDADMN Cc1cnoc1C(=O)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571201869 953020661 /nfs/dbraw/zinc/02/06/61/953020661.db2.gz OYJFHWPCBZJYIR-UHFFFAOYSA-N 0 1 382.428 1.334 20 0 GDADMN Cc1nocc1CN1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 ZINC001571207059 953058790 /nfs/dbraw/zinc/05/87/90/953058790.db2.gz VMXMIVZQXMCIAI-MAUKXSAKSA-N 0 1 382.428 1.418 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)s1 ZINC001571210541 953072224 /nfs/dbraw/zinc/07/22/24/953072224.db2.gz RUTLAZLZFYXDKX-TXEJJXNPSA-N 0 1 382.453 1.520 20 0 GDADMN C[C@@]1(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211751 953080322 /nfs/dbraw/zinc/08/03/22/953080322.db2.gz FCIVYARROVUILT-VYGYDYRJSA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)(C)C12CC(C(=O)N[C@@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)(C1)C2 ZINC001571211794 953081718 /nfs/dbraw/zinc/08/17/18/953081718.db2.gz GTALIXWBRBWSPE-PIHIASKNSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571214021 953098214 /nfs/dbraw/zinc/09/82/14/953098214.db2.gz VFYLAEJDXUQNMU-TUVASFSCSA-N 0 1 382.472 1.663 20 0 GDADMN O=C(CC1CCCC1)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571217223 953106531 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XXODJNNKVSOYRL-UHFFFAOYSA-N 0 1 384.444 1.664 20 0 GDADMN O=C([O-])c1cc(NC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)ccn1 ZINC001594758249 953484397 /nfs/dbraw/zinc/48/43/97/953484397.db2.gz MQOOMRAUGOHDFC-UHFFFAOYSA-N 0 1 387.415 1.863 20 0 GDADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589284929 953553188 /nfs/dbraw/zinc/55/31/88/953553188.db2.gz JRAMMSMFQWMJAK-FZKCQIBNSA-N 0 1 382.505 1.118 20 0 GDADMN COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000566219735 953621936 /nfs/dbraw/zinc/62/19/36/953621936.db2.gz HKYGRULWHWNOQF-DOMZBBRYSA-N 0 1 380.441 1.371 20 0 GDADMN O=C([O-])C1CCN(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000570277105 953653886 /nfs/dbraw/zinc/65/38/86/953653886.db2.gz ZGUZWGCBTIUCLS-UHFFFAOYSA-N 0 1 381.498 1.066 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000626756024 953810413 /nfs/dbraw/zinc/81/04/13/953810413.db2.gz ZFKWPQOLFUJMIH-SCTDSRPQSA-N 0 1 388.512 1.949 20 0 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C[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC001589354677 954115267 /nfs/dbraw/zinc/11/52/67/954115267.db2.gz CBPMGBRHCVAQNU-ONGXEEELSA-N 0 1 391.287 1.639 20 0 GDADMN CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655900439 954282147 /nfs/dbraw/zinc/28/21/47/954282147.db2.gz SRWBVXZLYJCTRF-HRCADAONSA-N 0 1 382.549 1.837 20 0 GDADMN CC(C)[C@@H](CNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1)[NH+]1CCOCC1 ZINC001602984307 972009278 /nfs/dbraw/zinc/00/92/78/972009278.db2.gz VVWKLNGHDIZXNX-BWRBCVJASA-N 0 1 383.489 1.055 20 0 GDADMN CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593751013 954409434 /nfs/dbraw/zinc/40/94/34/954409434.db2.gz NPBMRCBFENWGQN-LIRRHRJNSA-N 0 1 380.416 1.086 20 0 GDADMN O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CN1C(=O)c3ccccc3C1=O)CC2 ZINC000386041961 972028332 /nfs/dbraw/zinc/02/83/32/972028332.db2.gz DXDNVLRTFGTNJU-MRXNPFEDSA-N 0 1 380.400 1.400 20 0 GDADMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3C[C@@]4(CO)CCCC[C@@]4(CO)C3)o2)C1 ZINC001594913848 954722092 /nfs/dbraw/zinc/72/20/92/954722092.db2.gz BVSAAVIBTWTPHW-HBGVWJBISA-N 0 1 392.496 1.928 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](CCOc1ccc3c(c1)OCO3)C[C@H]2C(=O)[O-] ZINC001593823349 955062521 /nfs/dbraw/zinc/06/25/21/955062521.db2.gz CJDGWKQJOUVUDJ-MMSRSVNZSA-N 0 1 377.393 1.380 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](CCS(=O)(=O)C1CCCCC1)C[C@H]2C(=O)[O-] ZINC001593824222 955074406 /nfs/dbraw/zinc/07/44/06/955074406.db2.gz JRCKXVCZUFXBEZ-DBQDNQAGSA-N 0 1 387.498 1.320 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(=O)n3cccc(C)c3n1)C[C@@H]2C(=O)[O-] ZINC001593824682 955085572 /nfs/dbraw/zinc/08/55/72/955085572.db2.gz SCPCVFXPBXNOTR-KLSXAPCHSA-N 0 1 385.420 1.089 20 0 GDADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)cn1 ZINC001594541349 955651461 /nfs/dbraw/zinc/65/14/61/955651461.db2.gz ZKWQQSDYVDAQHX-VYDXJSESSA-N 0 1 376.501 1.947 20 0 GDADMN C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848449306 955735059 /nfs/dbraw/zinc/73/50/59/955735059.db2.gz IBZVGLXZNICGEN-OIPACUDHSA-N 0 1 388.468 1.320 20 0 GDADMN C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848449306 955735070 /nfs/dbraw/zinc/73/50/70/955735070.db2.gz IBZVGLXZNICGEN-OIPACUDHSA-N 0 1 388.468 1.320 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)CN1CCN(C)CC1 ZINC001589066482 955750331 /nfs/dbraw/zinc/75/03/31/955750331.db2.gz IBLUYXLKFVJJSM-IAGOWNOFSA-N 0 1 378.517 1.554 20 0 GDADMN CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC001603056721 972124902 /nfs/dbraw/zinc/12/49/02/972124902.db2.gz UCHJMYVIOCOHHG-MRXNPFEDSA-N 0 1 381.517 1.669 20 0 GDADMN Cn1c(CC[N@@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc2ccccc21 ZINC000852737013 955850603 /nfs/dbraw/zinc/85/06/03/955850603.db2.gz PXHOHWJHAOMSRA-DOMZBBRYSA-N 0 1 398.385 1.712 20 0 GDADMN 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WZIOOQHPVOMSKX-JTQLQIEISA-N 0 1 399.436 1.378 20 0 GDADMN COc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)c(F)c1 ZINC000821798478 607020772 /nfs/dbraw/zinc/02/07/72/607020772.db2.gz BCFALYRESDYWCU-UHFFFAOYSA-N 0 1 390.400 1.767 20 0 GDADMN Cc1cccc(NC(=O)C(=O)N2CCN(C3CCCCC3)CC2)c1-c1nn[nH]n1 ZINC000822315086 607095510 /nfs/dbraw/zinc/09/55/10/607095510.db2.gz ZCCYOHQGHAKANE-UHFFFAOYSA-N 0 1 397.483 1.591 20 0 GDADMN Cc1ccnc(N2CCN(CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822374337 607108850 /nfs/dbraw/zinc/10/88/50/607108850.db2.gz RPICENQETLUTBF-UHFFFAOYSA-N 0 1 392.467 1.721 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822006116 607193376 /nfs/dbraw/zinc/19/33/76/607193376.db2.gz XZYOUBSYUFHAQC-ZBFHGGJFSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000822006116 607193377 /nfs/dbraw/zinc/19/33/77/607193377.db2.gz XZYOUBSYUFHAQC-ZBFHGGJFSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822006116 607193378 /nfs/dbraw/zinc/19/33/78/607193378.db2.gz XZYOUBSYUFHAQC-ZBFHGGJFSA-N 0 1 399.499 1.459 20 0 GDADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823314586 607203214 /nfs/dbraw/zinc/20/32/14/607203214.db2.gz RGFZWXKZRUGIJF-GFCCVEGCSA-N 0 1 391.863 1.706 20 0 GDADMN Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OCc2ccccc2)c1 ZINC000822248424 607208935 /nfs/dbraw/zinc/20/89/35/607208935.db2.gz FTPPMJFHZXTQIQ-UHFFFAOYSA-N 0 1 390.407 1.984 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000823135941 607209292 /nfs/dbraw/zinc/20/92/92/607209292.db2.gz BIOHOCVDMDCAQA-UHFFFAOYSA-N 0 1 394.370 1.815 20 0 GDADMN Cc1ccc(-c2nnc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)s2)c(C)c1 ZINC000822214080 607211187 /nfs/dbraw/zinc/21/11/87/607211187.db2.gz OHVPCGHRZQVLKW-UHFFFAOYSA-N 0 1 382.413 1.232 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(CCc1ccccc1)Cc1ccncc1 ZINC000823122664 607212546 /nfs/dbraw/zinc/21/25/46/607212546.db2.gz FYZQNVPWGQDYCK-UHFFFAOYSA-N 0 1 389.423 1.125 20 0 GDADMN Cc1cc(Sc2ncccn2)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822213031 607212549 /nfs/dbraw/zinc/21/25/49/607212549.db2.gz RIKZXOQVNZRIQI-UHFFFAOYSA-N 0 1 394.424 1.347 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000823126639 607220551 /nfs/dbraw/zinc/22/05/51/607220551.db2.gz KTXXAQWNAIOPBV-MRVPVSSYSA-N 0 1 381.183 1.015 20 0 GDADMN CN(C)c1nc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)ns1 ZINC000821590829 607228771 /nfs/dbraw/zinc/22/87/71/607228771.db2.gz IEIMCJQNQCGXNI-UHFFFAOYSA-N 0 1 388.844 1.801 20 0 GDADMN O=S(=O)(CCNCc1ccc2c(c1)OCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000826485295 607814285 /nfs/dbraw/zinc/81/42/85/607814285.db2.gz KDCJYECQUBZIQZ-UHFFFAOYSA-N 0 1 387.421 1.159 20 0 GDADMN CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C1 ZINC000826145609 607858319 /nfs/dbraw/zinc/85/83/19/607858319.db2.gz JSKDFEUVHKOJSK-ZACQAIPSSA-N 0 1 386.456 1.464 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000826175262 607870807 /nfs/dbraw/zinc/87/08/07/607870807.db2.gz YNARRQXFIYUIPG-KRWDZBQOSA-N 0 1 381.436 1.673 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000826175416 607913787 /nfs/dbraw/zinc/91/37/87/607913787.db2.gz DMDZNRYAGIRNCQ-OKILXGFUSA-N 0 1 388.472 1.585 20 0 GDADMN CCOC(=O)N[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825523219 607921568 /nfs/dbraw/zinc/92/15/68/607921568.db2.gz OPBSQBFEFXVAHK-CYBMUJFWSA-N 0 1 388.428 1.364 20 0 GDADMN O=S(=O)(Nc1cncc(Br)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826493012 607933196 /nfs/dbraw/zinc/93/31/96/607933196.db2.gz OTZIHRLGDHBPDR-UHFFFAOYSA-N 0 1 381.215 1.825 20 0 GDADMN CN1CC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826029591 607973392 /nfs/dbraw/zinc/97/33/92/607973392.db2.gz UMXSDDAXURBTCX-QZTJIDSGSA-N 0 1 398.492 1.732 20 0 GDADMN O=S(=O)(N[C@@H](c1cccnc1)C1CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826487050 607974508 /nfs/dbraw/zinc/97/45/08/607974508.db2.gz BORLJGFMIIEILI-CQSZACIVSA-N 0 1 392.391 1.970 20 0 GDADMN CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC000826028498 607982714 /nfs/dbraw/zinc/98/27/14/607982714.db2.gz BJLPTBXXWDMPSP-SJORKVTESA-N 0 1 391.435 1.367 20 0 GDADMN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000824449866 608008402 /nfs/dbraw/zinc/00/84/02/608008402.db2.gz PREXQHDANNZPNO-QMMMGPOBSA-N 0 1 381.227 1.512 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2=Cc3ccccc3OC2)c1-c1nnn[n-]1 ZINC000826077559 608019702 /nfs/dbraw/zinc/01/97/02/608019702.db2.gz MFWNTWLOKZJHCU-UHFFFAOYSA-N 0 1 380.412 1.156 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2=Cc3ccccc3OC2)c1-c1nn[n-]n1 ZINC000826077559 608019703 /nfs/dbraw/zinc/01/97/03/608019703.db2.gz MFWNTWLOKZJHCU-UHFFFAOYSA-N 0 1 380.412 1.156 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(n2)CCCC3)c1-c1nnn[n-]1 ZINC000826083370 608020722 /nfs/dbraw/zinc/02/07/22/608020722.db2.gz JUVAYEFUTSTIII-UHFFFAOYSA-N 0 1 381.444 1.268 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(n2)CCCC3)c1-c1nn[n-]n1 ZINC000826083370 608020723 /nfs/dbraw/zinc/02/07/23/608020723.db2.gz JUVAYEFUTSTIII-UHFFFAOYSA-N 0 1 381.444 1.268 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Sc2ccccn2)c1-c1nnn[n-]1 ZINC000826073034 608020898 /nfs/dbraw/zinc/02/08/98/608020898.db2.gz BGUNEWCAXTXHDG-JTQLQIEISA-N 0 1 387.473 1.256 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Sc2ccccn2)c1-c1nn[n-]n1 ZINC000826073034 608020899 /nfs/dbraw/zinc/02/08/99/608020899.db2.gz BGUNEWCAXTXHDG-JTQLQIEISA-N 0 1 387.473 1.256 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826073331 608021750 /nfs/dbraw/zinc/02/17/50/608021750.db2.gz OCFCDGZKWODLEZ-UHFFFAOYSA-N 0 1 386.435 1.797 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826073331 608021751 /nfs/dbraw/zinc/02/17/51/608021751.db2.gz OCFCDGZKWODLEZ-UHFFFAOYSA-N 0 1 386.435 1.797 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3ccccc3S2)c1-c1nnn[n-]1 ZINC000826077194 608021768 /nfs/dbraw/zinc/02/17/68/608021768.db2.gz DDHIFFOTJXRTPW-ZDUSSCGKSA-N 0 1 384.469 1.397 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3ccccc3S2)c1-c1nn[n-]n1 ZINC000826077194 608021769 /nfs/dbraw/zinc/02/17/69/608021769.db2.gz DDHIFFOTJXRTPW-ZDUSSCGKSA-N 0 1 384.469 1.397 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)c(C)cc2F)c1-c1nnn[n-]1 ZINC000826077374 608022028 /nfs/dbraw/zinc/02/20/28/608022028.db2.gz GGJQONRBEXJJAA-UHFFFAOYSA-N 0 1 376.371 1.581 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)c(C)cc2F)c1-c1nn[n-]n1 ZINC000826077374 608022029 /nfs/dbraw/zinc/02/20/29/608022029.db2.gz GGJQONRBEXJJAA-UHFFFAOYSA-N 0 1 376.371 1.581 20 0 GDADMN O=S1(=O)CC[C@@H](CCN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000826495882 608032413 /nfs/dbraw/zinc/03/24/13/608032413.db2.gz FNYQTQYJVYTCRO-OAHLLOKOSA-N 0 1 390.513 1.204 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000824358406 608096775 /nfs/dbraw/zinc/09/67/75/608096775.db2.gz JANCSTWHPNTAGV-MRVPVSSYSA-N 0 1 396.864 1.801 20 0 GDADMN CC1([C@H]2CCCN([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)OCCO1 ZINC000824818031 608132092 /nfs/dbraw/zinc/13/20/92/608132092.db2.gz QWPJEHPMJZAXAP-RDJZCZTQSA-N 0 1 398.467 1.447 20 0 GDADMN CCC(CC)(CNCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)C(=O)OC ZINC000825089407 608167817 /nfs/dbraw/zinc/16/78/17/608167817.db2.gz FDFZLVBXMMYUBF-UHFFFAOYSA-N 0 1 385.428 1.986 20 0 GDADMN C1CC1c1nsc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000823874436 608175375 /nfs/dbraw/zinc/17/53/75/608175375.db2.gz WZANNWTUEBYRAW-UHFFFAOYSA-N 0 1 385.457 1.788 20 0 GDADMN CN1CC[NH+](CC2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)CC1 ZINC000826038134 608178383 /nfs/dbraw/zinc/17/83/83/608178383.db2.gz ILDIMSHWUJBQTE-UHFFFAOYSA-N 0 1 382.925 1.440 20 0 GDADMN CN1CC[NH+](CC2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)CC1 ZINC000826038134 608178385 /nfs/dbraw/zinc/17/83/85/608178385.db2.gz ILDIMSHWUJBQTE-UHFFFAOYSA-N 0 1 382.925 1.440 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCCC23OCCO3)cc1-c1nn[nH]n1 ZINC000826229496 608196900 /nfs/dbraw/zinc/19/69/00/608196900.db2.gz GUNWPWFHJFMGGV-NSHDSACASA-N 0 1 392.441 1.105 20 0 GDADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824860888 608202973 /nfs/dbraw/zinc/20/29/73/608202973.db2.gz YTBDOKDTEFFNJY-UONOGXRCSA-N 0 1 385.472 1.527 20 0 GDADMN Cc1cnc(CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000826317580 608216594 /nfs/dbraw/zinc/21/65/94/608216594.db2.gz HZXZNSIQIJOHAS-UHFFFAOYSA-N 0 1 397.508 1.909 20 0 GDADMN CCN1C[C@@H](C)N(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC000825443782 608246652 /nfs/dbraw/zinc/24/66/52/608246652.db2.gz GAOMQSZMXCCQAM-HUUCEWRRSA-N 0 1 399.499 1.917 20 0 GDADMN CC(C)N(CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824289324 608253488 /nfs/dbraw/zinc/25/34/88/608253488.db2.gz ZODJAKXONJKDRB-GOSISDBHSA-N 0 1 384.484 1.715 20 0 GDADMN CCN(CC(=O)N1CCOC[C@H]1C1CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825395951 608254039 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Cc1cc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2CCCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264097 945476316 /nfs/dbraw/zinc/47/63/16/945476316.db2.gz GCWIBVZPKYUAME-GJZGRUSLSA-N 0 1 385.472 1.424 20 0 GDADMN Cc1cc(N[C@H]2CC[C@H](NC(=O)C3CCOCC3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266364 945538829 /nfs/dbraw/zinc/53/88/29/945538829.db2.gz PGFMUWUDJBNLOI-SHTZXODSSA-N 0 1 385.472 1.258 20 0 GDADMN O=C([C@H]1CCCCO1)N1CCC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571266362 945539292 /nfs/dbraw/zinc/53/92/92/945539292.db2.gz PEBRBNRBORZEFS-WMLDXEAASA-N 0 1 385.472 1.293 20 0 GDADMN O=C(CC1CCOCC1)N[C@H]1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571266520 945543890 /nfs/dbraw/zinc/54/38/90/945543890.db2.gz SULQOHJAWNSGBX-HOCLYGCPSA-N 0 1 385.472 1.197 20 0 GDADMN CCOC(=O)c1[nH]nc(NC(=O)Cc2noc(C)c2-c2nn[nH]n2)c1C1CC1 ZINC001571267282 945567183 /nfs/dbraw/zinc/56/71/83/945567183.db2.gz PHQWKDGAJMMAPA-UHFFFAOYSA-N 0 1 386.372 1.122 20 0 GDADMN Cc1csc(CNC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001571271620 945645856 /nfs/dbraw/zinc/64/58/56/945645856.db2.gz FWASESRUPZGMTR-ZDUSSCGKSA-N 0 1 386.485 1.744 20 0 GDADMN CC(C)[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)[NH+](C)C ZINC001571272034 945653923 /nfs/dbraw/zinc/65/39/23/945653923.db2.gz NHBIQTKFOVDTHP-NVXWUHKLSA-N 0 1 386.504 1.275 20 0 GDADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821596322 945735637 /nfs/dbraw/zinc/73/56/37/945735637.db2.gz GWBSEAGYLGLBGW-HNNXBMFYSA-N 0 1 395.471 1.586 20 0 GDADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821596322 945735639 /nfs/dbraw/zinc/73/56/39/945735639.db2.gz GWBSEAGYLGLBGW-HNNXBMFYSA-N 0 1 395.471 1.586 20 0 GDADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821596322 945735653 /nfs/dbraw/zinc/73/56/53/945735653.db2.gz GWBSEAGYLGLBGW-HNNXBMFYSA-N 0 1 395.471 1.586 20 0 GDADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821596322 945735657 /nfs/dbraw/zinc/73/56/57/945735657.db2.gz GWBSEAGYLGLBGW-HNNXBMFYSA-N 0 1 395.471 1.586 20 0 GDADMN CNC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000821630037 945758295 /nfs/dbraw/zinc/75/82/95/945758295.db2.gz JVXTYAVQBUAERP-ZJUUUORDSA-N 0 1 391.501 1.058 20 0 GDADMN CCc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c(C)o1 ZINC001571281085 945798455 /nfs/dbraw/zinc/79/84/55/945798455.db2.gz CDFURVJNSVWODL-LLVKDONJSA-N 0 1 387.469 1.791 20 0 GDADMN CCc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c(C)o1 ZINC001571281085 945798465 /nfs/dbraw/zinc/79/84/65/945798465.db2.gz CDFURVJNSVWODL-LLVKDONJSA-N 0 1 387.469 1.791 20 0 GDADMN CCc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3snc(C)c3-c3nn[nH]n3)C2)n[nH]1 ZINC001571281173 945799042 /nfs/dbraw/zinc/79/90/42/945799042.db2.gz DYMNQIKCQCRUTP-PELKAZGASA-N 0 1 387.473 1.490 20 0 GDADMN Cc1nnc([C@H](C)NC2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)s1 ZINC001571281576 945806261 /nfs/dbraw/zinc/80/62/61/945806261.db2.gz IYBCMILZOZMVIM-VIFPVBQESA-N 0 1 387.473 1.310 20 0 GDADMN Cc1ncc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@H]2C)o1 ZINC001571282044 945826016 /nfs/dbraw/zinc/82/60/16/945826016.db2.gz RJEZXSSFPDBKNH-QMTHXVAHSA-N 0 1 387.469 1.546 20 0 GDADMN Cc1ncc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@H]2C)o1 ZINC001571282044 945826029 /nfs/dbraw/zinc/82/60/29/945826029.db2.gz RJEZXSSFPDBKNH-QMTHXVAHSA-N 0 1 387.469 1.546 20 0 GDADMN CC(=O)N1CCN(C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC12CCCCC2 ZINC001573450639 945828943 /nfs/dbraw/zinc/82/89/43/945828943.db2.gz LNNJDMSDOLSZSQ-SFHVURJKSA-N 0 1 384.484 1.767 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2C)on1 ZINC001571282414 945841529 /nfs/dbraw/zinc/84/15/29/945841529.db2.gz XRHVWLCOTPKKSK-ZYHUDNBSSA-N 0 1 387.469 1.723 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2C)on1 ZINC001571282414 945841536 /nfs/dbraw/zinc/84/15/36/945841536.db2.gz XRHVWLCOTPKKSK-ZYHUDNBSSA-N 0 1 387.469 1.723 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2C)on1 ZINC001571282414 945841549 /nfs/dbraw/zinc/84/15/49/945841549.db2.gz XRHVWLCOTPKKSK-ZYHUDNBSSA-N 0 1 387.469 1.723 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2C)on1 ZINC001571282414 945841561 /nfs/dbraw/zinc/84/15/61/945841561.db2.gz XRHVWLCOTPKKSK-ZYHUDNBSSA-N 0 1 387.469 1.723 20 0 GDADMN CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571282789 945863839 /nfs/dbraw/zinc/86/38/39/945863839.db2.gz QYGMLDJHUYXOBP-CJNGLKHVSA-N 0 1 387.463 1.893 20 0 GDADMN CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571282789 945863848 /nfs/dbraw/zinc/86/38/48/945863848.db2.gz QYGMLDJHUYXOBP-CJNGLKHVSA-N 0 1 387.463 1.893 20 0 GDADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571283101 945878270 /nfs/dbraw/zinc/87/82/70/945878270.db2.gz ZFPLFZVBAHBORG-QGZVFWFLSA-N 0 1 387.463 1.179 20 0 GDADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571283101 945878293 /nfs/dbraw/zinc/87/82/93/945878293.db2.gz ZFPLFZVBAHBORG-QGZVFWFLSA-N 0 1 387.463 1.179 20 0 GDADMN CC[C@H](C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1)[NH+](C)C ZINC001571283730 945890382 /nfs/dbraw/zinc/89/03/82/945890382.db2.gz IPNSRQTXBUYNAL-CQSZACIVSA-N 0 1 387.492 1.038 20 0 GDADMN CC[C@H](C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1)[NH+](C)C ZINC001571283730 945890399 /nfs/dbraw/zinc/89/03/99/945890399.db2.gz IPNSRQTXBUYNAL-CQSZACIVSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571285061 945911166 /nfs/dbraw/zinc/91/11/66/945911166.db2.gz XSOKTIATMJNFPV-ZJUUUORDSA-N 0 1 387.835 1.426 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@H](O)c2ccccc2F)cc1-c1nn[nH]n1 ZINC000821977275 945911710 /nfs/dbraw/zinc/91/17/10/945911710.db2.gz FIGXHUGZEQLPQX-LBPRGKRZSA-N 0 1 390.400 1.292 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000822005022 945917143 /nfs/dbraw/zinc/91/71/43/945917143.db2.gz NGVVDQXFEBFDLE-GXFFZTMASA-N 0 1 385.472 1.258 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000822005022 945917155 /nfs/dbraw/zinc/91/71/55/945917155.db2.gz NGVVDQXFEBFDLE-GXFFZTMASA-N 0 1 385.472 1.258 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000822005022 945917162 /nfs/dbraw/zinc/91/71/62/945917162.db2.gz NGVVDQXFEBFDLE-GXFFZTMASA-N 0 1 385.472 1.258 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)Nc2c[nH]nc2-c2nn[nH]n2)C1 ZINC001571286334 945944634 /nfs/dbraw/zinc/94/46/34/945944634.db2.gz FCFYJJSPQKYTCM-DYZYQPBXSA-N 0 1 388.432 1.566 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)Nc2c[nH]nc2-c2nn[nH]n2)C1 ZINC001571286335 945945412 /nfs/dbraw/zinc/94/54/12/945945412.db2.gz FCFYJJSPQKYTCM-QGHHPUGFSA-N 0 1 388.432 1.566 20 0 GDADMN O=C(NC[C@@H]1CCCN1Cc1cc(F)ccc1-c1nn[nH]n1)C1CCOCC1 ZINC001571288509 945989160 /nfs/dbraw/zinc/98/91/60/945989160.db2.gz PTJWCDPXPRPDLO-INIZCTEOSA-N 0 1 388.447 1.513 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1sccc1F ZINC001571288966 945995507 /nfs/dbraw/zinc/99/55/07/945995507.db2.gz VOCLTNHVPRVCCA-NXEZZACHSA-N 0 1 388.432 1.432 20 0 GDADMN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289438 946006105 /nfs/dbraw/zinc/00/61/05/946006105.db2.gz DKZOSKJWXJZKKV-JTQLQIEISA-N 0 1 388.457 1.060 20 0 GDADMN C[N@H+]1CC[C@H](C(=O)NC2CCC(Nc3ncc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001571289437 946007447 /nfs/dbraw/zinc/00/74/47/946007447.db2.gz DGCIBQLIDWVLNW-XGNXJENSSA-N 0 1 388.451 1.192 20 0 GDADMN Cc1[nH]nc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(-c4nn[nH]n4)s3)C2)c1[O-] ZINC001571289497 946009821 /nfs/dbraw/zinc/00/98/21/946009821.db2.gz FZIAXLFQAMXGAZ-JTQLQIEISA-N 0 1 388.457 1.012 20 0 GDADMN Cc1nn[nH]c1C(=O)N1CCC(C)(Nc2snc(C)c2-c2nn[nH]n2)CC1 ZINC001571289674 946016232 /nfs/dbraw/zinc/01/62/32/946016232.db2.gz JVYRWDLPJRXJHK-UHFFFAOYSA-N 0 1 388.461 1.165 20 0 GDADMN O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289770 946016666 /nfs/dbraw/zinc/01/66/66/946016666.db2.gz MBROPPAWPVEBTP-MPRPFWIISA-N 0 1 388.497 1.338 20 0 GDADMN O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289770 946016675 /nfs/dbraw/zinc/01/66/75/946016675.db2.gz MBROPPAWPVEBTP-MPRPFWIISA-N 0 1 388.497 1.338 20 0 GDADMN Cc1cnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)o1 ZINC000822388819 946077676 /nfs/dbraw/zinc/07/76/76/946077676.db2.gz CCQDDWWLSCIZHD-UHFFFAOYSA-N 0 1 382.384 1.733 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000822614800 946139797 /nfs/dbraw/zinc/13/97/97/946139797.db2.gz SLMUNCGFGLIRCM-UHFFFAOYSA-N 0 1 395.471 1.429 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000822614800 946139803 /nfs/dbraw/zinc/13/98/03/946139803.db2.gz SLMUNCGFGLIRCM-UHFFFAOYSA-N 0 1 395.471 1.429 20 0 GDADMN O=C(Cc1ccccc1)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571294656 946141225 /nfs/dbraw/zinc/14/12/25/946141225.db2.gz KWNDDMTYSFXQBB-LLVKDONJSA-N 0 1 389.872 1.914 20 0 GDADMN Cc1cccc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@]3(C)C2)c1 ZINC001571298172 946209066 /nfs/dbraw/zinc/20/90/66/946209066.db2.gz BGBFMAMMCCHIJL-QRWLVFNGSA-N 0 1 390.451 1.564 20 0 GDADMN O=C(NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC001571298557 946222272 /nfs/dbraw/zinc/22/22/72/946222272.db2.gz AWEVQTSYNHRUGD-KBPBESRZSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(NC[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC001571298557 946222285 /nfs/dbraw/zinc/22/22/85/946222285.db2.gz AWEVQTSYNHRUGD-KBPBESRZSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(Cc1ccccc1)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571298814 946230626 /nfs/dbraw/zinc/23/06/26/946230626.db2.gz RDZZPIAHNMJDNX-HUUCEWRRSA-N 0 1 390.451 1.161 20 0 GDADMN C[C@@H]1C[C@H]1C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571298821 946231180 /nfs/dbraw/zinc/23/11/80/946231180.db2.gz KWQQVLDSPJANHD-MLGOLLRUSA-N 0 1 390.451 1.492 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001571299237 946242310 /nfs/dbraw/zinc/24/23/10/946242310.db2.gz PPHVBTCPTMOFKB-CVEARBPZSA-N 0 1 390.451 1.849 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1ccnc(C2CC2)n1 ZINC001571299561 946254220 /nfs/dbraw/zinc/25/42/20/946254220.db2.gz XFDSBMCWQRAIOE-HNNXBMFYSA-N 0 1 390.451 1.538 20 0 GDADMN Cc1nc(C2CC2)ccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571303023 946323495 /nfs/dbraw/zinc/32/34/95/946323495.db2.gz JIPNJEKWQOAOHD-CYBMUJFWSA-N 0 1 391.439 1.246 20 0 GDADMN Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccnnc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303270 946331587 /nfs/dbraw/zinc/33/15/87/946331587.db2.gz MVFIDVZJFBKIDB-CABCVRRESA-N 0 1 391.439 1.244 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001571308048 946428508 /nfs/dbraw/zinc/42/85/08/946428508.db2.gz KQGPPZXXBFWPDV-ZIAGYGMSSA-N 0 1 392.410 1.563 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001571308048 946428516 /nfs/dbraw/zinc/42/85/16/946428516.db2.gz KQGPPZXXBFWPDV-ZIAGYGMSSA-N 0 1 392.410 1.563 20 0 GDADMN CCO[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001571311029 946480912 /nfs/dbraw/zinc/48/09/12/946480912.db2.gz QECILYNSUKGHCR-IUODEOHRSA-N 0 1 392.460 1.821 20 0 GDADMN CCO[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001571311029 946480936 /nfs/dbraw/zinc/48/09/36/946480936.db2.gz QECILYNSUKGHCR-IUODEOHRSA-N 0 1 392.460 1.821 20 0 GDADMN CCO[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)o2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001571311029 946480946 /nfs/dbraw/zinc/48/09/46/946480946.db2.gz QECILYNSUKGHCR-IUODEOHRSA-N 0 1 392.460 1.821 20 0 GDADMN CCc1ccc([C@@H](C)C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001571313458 946523450 /nfs/dbraw/zinc/52/34/50/946523450.db2.gz OPHSZAGORXGLNC-CQSZACIVSA-N 0 1 392.467 1.671 20 0 GDADMN CCc1cccnc1C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571313651 946528112 /nfs/dbraw/zinc/52/81/12/946528112.db2.gz SIXXROJWMKLNCT-CQSZACIVSA-N 0 1 392.467 1.605 20 0 GDADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C)c3-c3nn[nH]n3)ccc21 ZINC000823989395 946535725 /nfs/dbraw/zinc/53/57/25/946535725.db2.gz WITUMELCQKYPLJ-UHFFFAOYSA-N 0 1 398.448 1.885 20 0 GDADMN CCc1nc[nH]c1C(=O)N1C[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571314080 946542161 /nfs/dbraw/zinc/54/21/61/946542161.db2.gz ZVRBYOQOFXDQDD-RHSMWYFYSA-N 0 1 392.467 1.499 20 0 GDADMN Cc1ccccc1[C@H](C)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316489 946579428 /nfs/dbraw/zinc/57/94/28/946579428.db2.gz DLHBKVATBPEZMZ-GJZGRUSLSA-N 0 1 392.467 1.806 20 0 GDADMN Cc1cccnc1CN1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 ZINC001571317103 946598412 /nfs/dbraw/zinc/59/84/12/946598412.db2.gz VHGJKPQKVTVWAI-UHFFFAOYSA-N 0 1 392.467 1.636 20 0 GDADMN Cc1ncc(C(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)c(C)n1 ZINC001571317259 946604474 /nfs/dbraw/zinc/60/44/74/946604474.db2.gz ZQBFBMJLQNEJQM-UHFFFAOYSA-N 0 1 392.467 1.622 20 0 GDADMN O=C(c1ncc[nH]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001571317341 946606787 /nfs/dbraw/zinc/60/67/87/946606787.db2.gz DIMKEVINHUJGNA-HXUWFJFHSA-N 0 1 392.467 1.718 20 0 GDADMN CC[C@H](C(=O)N1CC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317520 946613201 /nfs/dbraw/zinc/61/32/01/946613201.db2.gz LFEXWLMLVOPOMS-CHWSQXEVSA-N 0 1 392.533 1.622 20 0 GDADMN CC(=O)N[C@H]1C[C@@](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)(c2ccccc2)C1 ZINC001573542252 946795006 /nfs/dbraw/zinc/79/50/06/946795006.db2.gz DGWQIYLVVDPQAQ-MOBUCQHHSA-N 0 1 377.452 1.640 20 0 GDADMN C[C@@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000824565083 946804746 /nfs/dbraw/zinc/80/47/46/946804746.db2.gz YQFDJOGTRGXIMY-KHXSAUHESA-N 0 1 384.465 1.893 20 0 GDADMN C[C@H](NCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc([S@@](C)=O)cc1 ZINC000824564159 946805266 /nfs/dbraw/zinc/80/52/66/946805266.db2.gz SRPTWGMVEHQDGB-CFJPQMKISA-N 0 1 398.492 1.571 20 0 GDADMN CC[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825039748 947058053 /nfs/dbraw/zinc/05/80/53/947058053.db2.gz VRJPAIVNSZSRFO-CQSZACIVSA-N 0 1 398.471 1.883 20 0 GDADMN CC[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825039748 947058067 /nfs/dbraw/zinc/05/80/67/947058067.db2.gz VRJPAIVNSZSRFO-CQSZACIVSA-N 0 1 398.471 1.883 20 0 GDADMN C[C@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573591558 947316458 /nfs/dbraw/zinc/31/64/58/947316458.db2.gz CTOQVIGZTMEJJO-LLVKDONJSA-N 0 1 379.415 1.980 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573597793 947439236 /nfs/dbraw/zinc/43/92/36/947439236.db2.gz ONOZANIMIBCNGT-RYUDHWBXSA-N 0 1 380.518 1.519 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573597793 947439243 /nfs/dbraw/zinc/43/92/43/947439243.db2.gz ONOZANIMIBCNGT-RYUDHWBXSA-N 0 1 380.518 1.519 20 0 GDADMN CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1(C)C ZINC000826144485 947454116 /nfs/dbraw/zinc/45/41/16/947454116.db2.gz LAYCMHSVINABIG-GWNIPJSYSA-N 0 1 376.486 1.683 20 0 GDADMN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1(C)C ZINC000826144527 947458032 /nfs/dbraw/zinc/45/80/32/947458032.db2.gz LWNACNWKHXVREO-WHGOUJPWSA-N 0 1 378.458 1.479 20 0 GDADMN C[C@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573613454 947562799 /nfs/dbraw/zinc/56/27/99/947562799.db2.gz APUFFIYYNJMXKW-BMIGLBTASA-N 0 1 383.378 1.533 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573615955 947615178 /nfs/dbraw/zinc/61/51/78/947615178.db2.gz LGJINBXKAQFJGV-MNOVXSKESA-N 0 1 380.403 1.233 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573616100 947617120 /nfs/dbraw/zinc/61/71/20/947617120.db2.gz LNIMNVCSLUTUCQ-KBPBESRZSA-N 0 1 381.440 1.731 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573616104 947617946 /nfs/dbraw/zinc/61/79/46/947617946.db2.gz LNIMNVCSLUTUCQ-KGLIPLIRSA-N 0 1 381.440 1.731 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573354387 947632933 /nfs/dbraw/zinc/63/29/33/947632933.db2.gz BNLBLEMQUUKGNQ-OAHLLOKOSA-N 0 1 390.451 1.946 20 0 GDADMN C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573617853 947642556 /nfs/dbraw/zinc/64/25/56/947642556.db2.gz PTGMGAOSMCVXGE-LBPRGKRZSA-N 0 1 382.428 1.268 20 0 GDADMN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cccn1 ZINC001573627097 947716794 /nfs/dbraw/zinc/71/67/94/947716794.db2.gz YRCDJXIRGZBCNW-LBPRGKRZSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)n1cccn1 ZINC001573627097 947716800 /nfs/dbraw/zinc/71/68/00/947716800.db2.gz YRCDJXIRGZBCNW-LBPRGKRZSA-N 0 1 386.485 1.467 20 0 GDADMN CC(=O)CCCC(=O)N1CC2(C1)CCN(Cc1ccccc1-c1nn[nH]n1)C2 ZINC001573367975 947765237 /nfs/dbraw/zinc/76/52/37/947765237.db2.gz JYGXHVLSJYCVNN-UHFFFAOYSA-N 0 1 382.468 1.660 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001573628950 947769918 /nfs/dbraw/zinc/76/99/18/947769918.db2.gz PIQVPTZKSNVHSB-UONOGXRCSA-N 0 1 381.440 1.873 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573369823 947776954 /nfs/dbraw/zinc/77/69/54/947776954.db2.gz XKAAAWIQVWEJPA-RISCZKNCSA-N 0 1 376.486 1.624 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573369823 947776961 /nfs/dbraw/zinc/77/69/61/947776961.db2.gz XKAAAWIQVWEJPA-RISCZKNCSA-N 0 1 376.486 1.624 20 0 GDADMN C[C@@H](C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573629391 947779999 /nfs/dbraw/zinc/77/99/99/947779999.db2.gz SSBJOCAYGNZTHW-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573372861 947784949 /nfs/dbraw/zinc/78/49/49/947784949.db2.gz DYVHBZFRPVVUHA-CABCVRRESA-N 0 1 385.472 1.482 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573630299 947789979 /nfs/dbraw/zinc/78/99/79/947789979.db2.gz XSZRYGPYSLLDJF-LSDHHAIUSA-N 0 1 380.456 1.539 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC001573373345 947792619 /nfs/dbraw/zinc/79/26/19/947792619.db2.gz IDJIRCXRXJIKCJ-JSGCOSHPSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC001573373345 947792627 /nfs/dbraw/zinc/79/26/27/947792627.db2.gz IDJIRCXRXJIKCJ-JSGCOSHPSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573374119 947804997 /nfs/dbraw/zinc/80/49/97/947804997.db2.gz MPJHJQGMVKFKRB-INIZCTEOSA-N 0 1 388.447 1.798 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573375105 947816051 /nfs/dbraw/zinc/81/60/51/947816051.db2.gz QURLBTWVARSHIK-PBHICJAKSA-N 0 1 385.472 1.624 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccc1 ZINC001573637638 947819600 /nfs/dbraw/zinc/81/96/00/947819600.db2.gz LNBPDCVWOMCDNK-MRXNPFEDSA-N 0 1 379.468 1.964 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573377143 947848111 /nfs/dbraw/zinc/84/81/11/947848111.db2.gz JLRQOBMOOCJZAT-CJNGLKHVSA-N 0 1 399.499 1.790 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573639727 947849211 /nfs/dbraw/zinc/84/92/11/947849211.db2.gz BTLJNXQBHUTSHX-NWDGAFQWSA-N 0 1 382.403 1.034 20 0 GDADMN CC(=O)CCCC(=O)NC[C@]1(C)CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573380323 947857402 /nfs/dbraw/zinc/85/74/02/947857402.db2.gz AWUCANFHMALVDG-IBGZPJMESA-N 0 1 385.472 1.744 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C1CCCC1 ZINC001573647189 947887975 /nfs/dbraw/zinc/88/79/75/947887975.db2.gz DONISXFXSSJVJB-CWRNSKLLSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccc1 ZINC001573653245 947953332 /nfs/dbraw/zinc/95/33/32/947953332.db2.gz JYNXNEFISJAJHX-IUODEOHRSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccc1 ZINC001573653245 947953336 /nfs/dbraw/zinc/95/33/36/947953336.db2.gz JYNXNEFISJAJHX-IUODEOHRSA-N 0 1 385.497 1.975 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)CC2CCCCC2)c1-c1nnn[n-]1 ZINC000826343636 947993244 /nfs/dbraw/zinc/99/32/44/947993244.db2.gz IRKQINPQNHRTCV-UHFFFAOYSA-N 0 1 375.477 1.676 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)CC2CCCCC2)c1-c1nn[n-]n1 ZINC000826343636 947993252 /nfs/dbraw/zinc/99/32/52/947993252.db2.gz IRKQINPQNHRTCV-UHFFFAOYSA-N 0 1 375.477 1.676 20 0 GDADMN C[C@H](C(=O)N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2)n1cccc1 ZINC001573663120 948032061 /nfs/dbraw/zinc/03/20/61/948032061.db2.gz JDOTYBHRNBUMLH-PBHICJAKSA-N 0 1 392.467 1.800 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826346819 948046388 /nfs/dbraw/zinc/04/63/88/948046388.db2.gz WJQUQPMENNIWSG-LBPRGKRZSA-N 0 1 383.456 1.951 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826346819 948046395 /nfs/dbraw/zinc/04/63/95/948046395.db2.gz WJQUQPMENNIWSG-LBPRGKRZSA-N 0 1 383.456 1.951 20 0 GDADMN C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(F)F ZINC001573664343 948053039 /nfs/dbraw/zinc/05/30/39/948053039.db2.gz TYGLOEBEBQEKPJ-VGTOOOLASA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573665756 948077347 /nfs/dbraw/zinc/07/73/47/948077347.db2.gz MUYIJLIPBGYUNR-WAAKLRNESA-N 0 1 392.414 1.564 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573666003 948079001 /nfs/dbraw/zinc/07/90/01/948079001.db2.gz OMMJBVUHXLUOEO-GOEBONIOSA-N 0 1 380.456 1.405 20 0 GDADMN Cn1cc(CN2CCCC[C@H]2C2OCCO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360247 948117134 /nfs/dbraw/zinc/11/71/34/948117134.db2.gz CPGKDEJCYNLLLG-KRWDZBQOSA-N 0 1 395.467 1.995 20 0 GDADMN C[C@@H](C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccsc1 ZINC001573674642 948118774 /nfs/dbraw/zinc/11/87/74/948118774.db2.gz ORXDCJFGJUTJQC-LLVKDONJSA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573677240 948132837 /nfs/dbraw/zinc/13/28/37/948132837.db2.gz WWHDYEMLDSWICP-ZDUSSCGKSA-N 0 1 378.440 1.545 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CCCC1 ZINC001573677801 948141973 /nfs/dbraw/zinc/14/19/73/948141973.db2.gz FHKUOSKBJIEAIL-GXTWGEPZSA-N 0 1 384.488 1.814 20 0 GDADMN CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573432075 948185053 /nfs/dbraw/zinc/18/50/53/948185053.db2.gz CTBXQHSWUOFLHV-JSGCOSHPSA-N 0 1 386.353 1.895 20 0 GDADMN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573696177 948317740 /nfs/dbraw/zinc/31/77/40/948317740.db2.gz LTUUSKNDGNHVKN-IYXRBSQSSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573696177 948317747 /nfs/dbraw/zinc/31/77/47/948317747.db2.gz LTUUSKNDGNHVKN-IYXRBSQSSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1)C1CC1 ZINC001573708699 948458489 /nfs/dbraw/zinc/45/84/89/948458489.db2.gz XIILOGQVZHNZQA-KBXCAEBGSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1c(F)cccc1F ZINC001573720728 948535032 /nfs/dbraw/zinc/53/50/32/948535032.db2.gz SJQFJERKYGXMTO-SNVBAGLBSA-N 0 1 388.382 1.291 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573731571 948593072 /nfs/dbraw/zinc/59/30/72/948593072.db2.gz GYKXGOSAAJUXDO-QWRGUYRKSA-N 0 1 387.394 1.682 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573741965 948657958 /nfs/dbraw/zinc/65/79/58/948657958.db2.gz GYKXGOSAAJUXDO-MNOVXSKESA-N 0 1 387.394 1.682 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573742046 948658978 /nfs/dbraw/zinc/65/89/78/948658978.db2.gz HQMNXIVZVXMBOZ-ZJUUUORDSA-N 0 1 388.382 1.077 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001573742273 948661351 /nfs/dbraw/zinc/66/13/51/948661351.db2.gz JUTKSDCHRKXYRB-GHMZBOCLSA-N 0 1 386.847 1.452 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573743145 948668185 /nfs/dbraw/zinc/66/81/85/948668185.db2.gz YWAOFNJDIABUKE-PBHICJAKSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H](CNC(=O)CCc1cccc(F)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574914319 948747615 /nfs/dbraw/zinc/74/76/15/948747615.db2.gz IIQGBVZUOBOWCX-NSHDSACASA-N 0 1 387.394 1.511 20 0 GDADMN CC(C)c1ccc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001574416491 948750806 /nfs/dbraw/zinc/75/08/06/948750806.db2.gz VNELJMBTTSMZHP-OAHLLOKOSA-N 0 1 392.467 1.919 20 0 GDADMN CC(F)(F)C1(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575222204 948754900 /nfs/dbraw/zinc/75/49/00/948754900.db2.gz GIEZYWCRSCQJJQ-NSHDSACASA-N 0 1 392.414 1.567 20 0 GDADMN C[C@H](CNC(=O)CCc1cccnc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574914876 948757916 /nfs/dbraw/zinc/75/79/16/948757916.db2.gz OKIPIUJWFKEPJT-CYBMUJFWSA-N 0 1 383.431 1.628 20 0 GDADMN CC(C)c1ccccc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574419342 948784221 /nfs/dbraw/zinc/78/42/21/948784221.db2.gz BWYPVLBJQXQFTE-UHFFFAOYSA-N 0 1 380.456 1.989 20 0 GDADMN CC(F)(F)CC(=O)NC1(C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575225139 948799381 /nfs/dbraw/zinc/79/93/81/948799381.db2.gz XDCYXKJOOPFSQE-UHFFFAOYSA-N 0 1 392.414 1.567 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001575225271 948803421 /nfs/dbraw/zinc/80/34/21/948803421.db2.gz YLYLDTATPHVKOD-NSHDSACASA-N 0 1 380.403 1.211 20 0 GDADMN CC(C)c1ccoc1C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574421715 948819121 /nfs/dbraw/zinc/81/91/21/948819121.db2.gz NFEKEUYSTALQDN-UHFFFAOYSA-N 0 1 382.428 1.772 20 0 GDADMN CC(C)c1ccoc1C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574421815 948824087 /nfs/dbraw/zinc/82/40/87/948824087.db2.gz QESGWZZJGXEYDJ-UHFFFAOYSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001574081225 948825140 /nfs/dbraw/zinc/82/51/40/948825140.db2.gz YQHJJTAXOAPLIN-XUWVNRHRSA-N 0 1 376.411 1.546 20 0 GDADMN C[C@@H](CNC(=O)CCCOc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574917774 948828790 /nfs/dbraw/zinc/82/87/90/948828790.db2.gz BDNPCARKCJRHOZ-AWEZNQCLSA-N 0 1 381.440 1.459 20 0 GDADMN CC(C)c1ccsc1C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574424363 948850743 /nfs/dbraw/zinc/85/07/43/948850743.db2.gz MHSZHNGZQIRXBD-NSHDSACASA-N 0 1 387.469 1.071 20 0 GDADMN CC(C)(C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573763122 948864095 /nfs/dbraw/zinc/86/40/95/948864095.db2.gz BKMWSUGXTVHQAV-JTQLQIEISA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573763178 948868217 /nfs/dbraw/zinc/86/82/17/948868217.db2.gz CNFYYSJOAKKHIH-VIFPVBQESA-N 0 1 384.366 1.070 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)C(F)F ZINC001573763790 948877077 /nfs/dbraw/zinc/87/70/77/948877077.db2.gz HUAGYVDDSSIRSW-LBPRGKRZSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C[C@H]1CCOC1 ZINC001574684697 948880580 /nfs/dbraw/zinc/88/05/80/948880580.db2.gz KYXCBJNIYHQMPV-RKDXNWHRSA-N 0 1 385.881 1.710 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cc1cc[nH]n1 ZINC001574684899 948893389 /nfs/dbraw/zinc/89/33/89/948893389.db2.gz OVVKCRREXJAQNS-ZETCQYMHSA-N 0 1 381.853 1.249 20 0 GDADMN C[C@@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920254 948896482 /nfs/dbraw/zinc/89/64/82/948896482.db2.gz GYKRMNDZGZZUCK-JTQLQIEISA-N 0 1 377.499 1.612 20 0 GDADMN C[C@@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574920254 948896498 /nfs/dbraw/zinc/89/64/98/948896498.db2.gz GYKRMNDZGZZUCK-JTQLQIEISA-N 0 1 377.499 1.612 20 0 GDADMN CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[NH+]1CCCCC1 ZINC001573765376 948904418 /nfs/dbraw/zinc/90/44/18/948904418.db2.gz AOVPUXXABOPXJK-UHFFFAOYSA-N 0 1 384.488 1.175 20 0 GDADMN CC(F)(F)CCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001575235167 948913437 /nfs/dbraw/zinc/91/34/37/948913437.db2.gz KDISORLSCQXDSP-NEPJUHHUSA-N 0 1 392.414 1.377 20 0 GDADMN CC(F)(F)CCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001575236132 948935880 /nfs/dbraw/zinc/93/58/80/948935880.db2.gz WJFHLVPRDZNQAS-BZNIZROVSA-N 0 1 392.414 1.377 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574432510 948936923 /nfs/dbraw/zinc/93/69/23/948936923.db2.gz LQTIOCHBXRLOIC-OAHLLOKOSA-N 0 1 392.467 1.784 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574433619 948959132 /nfs/dbraw/zinc/95/91/32/948959132.db2.gz ZEFBSMYNILYDDS-NSHDSACASA-N 0 1 386.485 1.750 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574433619 948959141 /nfs/dbraw/zinc/95/91/41/948959141.db2.gz ZEFBSMYNILYDDS-NSHDSACASA-N 0 1 386.485 1.750 20 0 GDADMN CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573773082 948974745 /nfs/dbraw/zinc/97/47/45/948974745.db2.gz GISQILZYRZVJGU-MRVPVSSYSA-N 0 1 392.407 1.083 20 0 GDADMN CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573773319 948978739 /nfs/dbraw/zinc/97/87/39/948978739.db2.gz KLMMLOBRSSPDGE-LBPRGKRZSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926469 949003424 /nfs/dbraw/zinc/00/34/24/949003424.db2.gz RKDVACMIGFOLBA-LBPRGKRZSA-N 0 1 377.468 1.900 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926469 949003438 /nfs/dbraw/zinc/00/34/38/949003438.db2.gz RKDVACMIGFOLBA-LBPRGKRZSA-N 0 1 377.468 1.900 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001574694375 949072576 /nfs/dbraw/zinc/07/25/76/949072576.db2.gz OJGNJDSPPKWWOR-CZUORRHYSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574694515 949078544 /nfs/dbraw/zinc/07/85/44/949078544.db2.gz QNGIDKOPQAMHIJ-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN CC(C)c1occc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441797 949078713 /nfs/dbraw/zinc/07/87/13/949078713.db2.gz XHYCAEQKSKMLDZ-YPMHNXCESA-N 0 1 382.428 1.368 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574441884 949083399 /nfs/dbraw/zinc/08/33/99/949083399.db2.gz DNVCXEVXWMGOGB-HNNXBMFYSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574442370 949094958 /nfs/dbraw/zinc/09/49/58/949094958.db2.gz NAFLVTXAKPFKCO-NSHDSACASA-N 0 1 383.416 1.167 20 0 GDADMN C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575249427 949098671 /nfs/dbraw/zinc/09/86/71/949098671.db2.gz BSMZFAHLPUPSRL-WDEREUQCSA-N 0 1 392.414 1.423 20 0 GDADMN CC(C)c1nocc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574443083 949105668 /nfs/dbraw/zinc/10/56/68/949105668.db2.gz UYTVILRAVRNOHK-UHFFFAOYSA-N 0 1 385.432 1.367 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001574445737 949111915 /nfs/dbraw/zinc/11/19/15/949111915.db2.gz AUUNDQVZIIPXNP-CYBMUJFWSA-N 0 1 384.444 1.662 20 0 GDADMN C[C@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574931723 949122816 /nfs/dbraw/zinc/12/28/16/949122816.db2.gz RAOMJESDXASTME-GFCCVEGCSA-N 0 1 378.502 1.872 20 0 GDADMN C[C@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574931723 949122802 /nfs/dbraw/zinc/12/28/02/949122802.db2.gz RAOMJESDXASTME-GFCCVEGCSA-N 0 1 378.502 1.872 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574446199 949125879 /nfs/dbraw/zinc/12/58/79/949125879.db2.gz JVGKYDBMJPUIMU-LLVKDONJSA-N 0 1 390.469 1.525 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574446199 949125894 /nfs/dbraw/zinc/12/58/94/949125894.db2.gz JVGKYDBMJPUIMU-LLVKDONJSA-N 0 1 390.469 1.525 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574094122 949126302 /nfs/dbraw/zinc/12/63/02/949126302.db2.gz XMZIDYBXZBOVQV-UONOGXRCSA-N 0 1 385.472 1.053 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001574094233 949135046 /nfs/dbraw/zinc/13/50/46/949135046.db2.gz YGTGKWNZPIIUON-HOTGVXAUSA-N 0 1 392.467 1.599 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446769 949138904 /nfs/dbraw/zinc/13/89/04/949138904.db2.gz VGFQDUMIAXHAKU-LBPRGKRZSA-N 0 1 382.428 1.629 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574696829 949141667 /nfs/dbraw/zinc/14/16/67/949141667.db2.gz VMNXHUJRGMQCNP-VIFPVBQESA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574696829 949141679 /nfs/dbraw/zinc/14/16/79/949141679.db2.gz VMNXHUJRGMQCNP-VIFPVBQESA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574932363 949141861 /nfs/dbraw/zinc/14/18/61/949141861.db2.gz YLGQQMUOJRUOOS-LBPRGKRZSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574932363 949141873 /nfs/dbraw/zinc/14/18/73/949141873.db2.gz YLGQQMUOJRUOOS-LBPRGKRZSA-N 0 1 378.502 1.729 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574696828 949143186 /nfs/dbraw/zinc/14/31/86/949143186.db2.gz VMNXHUJRGMQCNP-SECBINFHSA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574696828 949143197 /nfs/dbraw/zinc/14/31/97/949143197.db2.gz VMNXHUJRGMQCNP-SECBINFHSA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574447526 949160916 /nfs/dbraw/zinc/16/09/16/949160916.db2.gz RKKTXNFEENVHCK-OAHLLOKOSA-N 0 1 381.440 1.982 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574934595 949168642 /nfs/dbraw/zinc/16/86/42/949168642.db2.gz LTBKKMZDEMGEMT-NSHDSACASA-N 0 1 390.444 1.741 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574934595 949168650 /nfs/dbraw/zinc/16/86/50/949168650.db2.gz LTBKKMZDEMGEMT-NSHDSACASA-N 0 1 390.444 1.741 20 0 GDADMN C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575253095 949180405 /nfs/dbraw/zinc/18/04/05/949180405.db2.gz IKURDYBUEGWDNE-QWHCGFSZSA-N 0 1 378.440 1.116 20 0 GDADMN C[C@H](c1cnccn1)N1CCC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575515670 949192667 /nfs/dbraw/zinc/19/26/67/949192667.db2.gz KCIVGURYEFOOGY-GFCCVEGCSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@H](CNC(=O)C[C@H]1CCOC1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574935411 949202355 /nfs/dbraw/zinc/20/23/55/949202355.db2.gz BQOHLARPJSOCSD-RKDXNWHRSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575516987 949220677 /nfs/dbraw/zinc/22/06/77/949220677.db2.gz SIOCVZLUDJHGQS-STQMWFEESA-N 0 1 381.444 1.330 20 0 GDADMN CC(C)CC(=O)N1CCC([C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574103214 949232901 /nfs/dbraw/zinc/23/29/01/949232901.db2.gz NMDDRGDEIVUDLU-OAHLLOKOSA-N 0 1 384.488 1.910 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001575854651 949236862 /nfs/dbraw/zinc/23/68/62/949236862.db2.gz YZKJGOGUXMQXFG-SOUVJXGZSA-N 0 1 381.484 1.913 20 0 GDADMN C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575257326 949272776 /nfs/dbraw/zinc/27/27/76/949272776.db2.gz ZYZSUXLOTOUDSL-KZULUSFZSA-N 0 1 390.513 1.681 20 0 GDADMN CC1=C(C)C[C@@H](C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)C)CC1 ZINC001575860076 949288713 /nfs/dbraw/zinc/28/87/13/949288713.db2.gz CHAVFWWLBKNSGS-GJZGRUSLSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@H](CNC(=O)Cc1ccoc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574941221 949293753 /nfs/dbraw/zinc/29/37/53/949293753.db2.gz BXEHDAVWWYJLAC-MRVPVSSYSA-N 0 1 381.849 1.753 20 0 GDADMN C[C@@H](c1nc(-c2nc[nH]n2)no1)N1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575525031 949332124 /nfs/dbraw/zinc/33/21/24/949332124.db2.gz VQYKQPSWSJKELM-NSHDSACASA-N 0 1 392.427 1.975 20 0 GDADMN CC(C)CC(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001574110813 949370724 /nfs/dbraw/zinc/37/07/24/949370724.db2.gz BXRXGAKJJRGFKI-UHFFFAOYSA-N 0 1 378.502 1.729 20 0 GDADMN CC(C)CC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001574110813 949370746 /nfs/dbraw/zinc/37/07/46/949370746.db2.gz BXRXGAKJJRGFKI-UHFFFAOYSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@@H](CN(C)C(=O)C12CCC(CC1)C2(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704294 949381253 /nfs/dbraw/zinc/38/12/53/949381253.db2.gz MCEXLTJMZWDIJO-GLIABKTBSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575528286 949392257 /nfs/dbraw/zinc/39/22/57/949392257.db2.gz QSTOBDZDZMXWPR-CRWXNKLISA-N 0 1 380.456 1.130 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574704631 949399460 /nfs/dbraw/zinc/39/94/60/949399460.db2.gz DRWUEXXERCEQCT-KBPBESRZSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574704631 949399484 /nfs/dbraw/zinc/39/94/84/949399484.db2.gz DRWUEXXERCEQCT-KBPBESRZSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574704631 949399494 /nfs/dbraw/zinc/39/94/94/949399494.db2.gz DRWUEXXERCEQCT-KBPBESRZSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574704631 949399522 /nfs/dbraw/zinc/39/95/22/949399522.db2.gz DRWUEXXERCEQCT-KBPBESRZSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@@H](CNC(=O)Cc1ncccc1F)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574946239 949430359 /nfs/dbraw/zinc/43/03/59/949430359.db2.gz TUMGNXOREQUNBL-NSHDSACASA-N 0 1 387.394 1.377 20 0 GDADMN CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4ccnc(-c5nn[nH]n5)n4)[C@H]3C2)CCC1 ZINC001575534905 949437308 /nfs/dbraw/zinc/43/73/08/949437308.db2.gz RXOBOMHENGVKKR-MELADBBJSA-N 0 1 382.472 1.308 20 0 GDADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001589622912 949440144 /nfs/dbraw/zinc/44/01/44/949440144.db2.gz NTYMOXUYHDBQII-HOTGVXAUSA-N 0 1 396.532 1.652 20 0 GDADMN CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574466002 949447287 /nfs/dbraw/zinc/44/72/87/949447287.db2.gz ZASHLLUYUQRLRS-CYBMUJFWSA-N 0 1 381.444 1.178 20 0 GDADMN CC1(C(=O)N2CCC3(CC2)CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)CC1 ZINC001575536078 949463137 /nfs/dbraw/zinc/46/31/37/949463137.db2.gz FFGUJRQJNGLNRC-UHFFFAOYSA-N 0 1 382.472 1.666 20 0 GDADMN C[C@@H](NC(=O)CC(F)(F)F)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575266659 949484516 /nfs/dbraw/zinc/48/45/16/949484516.db2.gz DIHZFNIYIQUICK-SECBINFHSA-N 0 1 386.353 1.895 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001574469848 949486287 /nfs/dbraw/zinc/48/62/87/949486287.db2.gz IKSOSHXHQORDAH-LBPRGKRZSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccco1 ZINC001576158794 949502062 /nfs/dbraw/zinc/50/20/62/949502062.db2.gz UNIVVWXWWUJUDZ-XIKOKIGWSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@@H](NC(=O)CC1(O)CCC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575267699 949508941 /nfs/dbraw/zinc/50/89/41/949508941.db2.gz JZANPBJPBZJGOS-GFCCVEGCSA-N 0 1 388.447 1.247 20 0 GDADMN CC(C)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F ZINC001574122438 949525591 /nfs/dbraw/zinc/52/55/91/949525591.db2.gz WJDCCSONFVWTBZ-NSHDSACASA-N 0 1 380.403 1.281 20 0 GDADMN C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574957652 949625329 /nfs/dbraw/zinc/62/53/29/949625329.db2.gz DWHGLZGUERTISH-ZIAGYGMSSA-N 0 1 380.456 1.122 20 0 GDADMN CC(C)CC(C)(C)C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574129121 949630302 /nfs/dbraw/zinc/63/03/02/949630302.db2.gz QNRAQLSRWUOSRR-CQSZACIVSA-N 0 1 387.488 1.395 20 0 GDADMN CC(C)CC(C)(C)C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001574128686 949631863 /nfs/dbraw/zinc/63/18/63/949631863.db2.gz OQVHQIMKXWHVJH-ZIAGYGMSSA-N 0 1 386.504 1.657 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574129733 949642523 /nfs/dbraw/zinc/64/25/23/949642523.db2.gz WJVJLINLSMEEBR-LBPRGKRZSA-N 0 1 380.518 1.567 20 0 GDADMN C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575272397 949647529 /nfs/dbraw/zinc/64/75/29/949647529.db2.gz QDENUEUWSDGTOQ-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001575272397 949647544 /nfs/dbraw/zinc/64/75/44/949647544.db2.gz QDENUEUWSDGTOQ-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574958338 949666677 /nfs/dbraw/zinc/66/66/77/949666677.db2.gz IZPFRPMNFGHSDR-UNJBNNCHSA-N 0 1 376.486 1.432 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574958338 949666687 /nfs/dbraw/zinc/66/66/87/949666687.db2.gz IZPFRPMNFGHSDR-UNJBNNCHSA-N 0 1 376.486 1.432 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CCC(F)CC1 ZINC001573815944 949667233 /nfs/dbraw/zinc/66/72/33/949667233.db2.gz MFQSFUHZEIJPOQ-BPCQOVAHSA-N 0 1 390.467 1.550 20 0 GDADMN C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576169724 949690786 /nfs/dbraw/zinc/69/07/86/949690786.db2.gz ZWQSIXYPLCXUIW-SUMWQHHRSA-N 0 1 383.456 1.069 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574479014 949727021 /nfs/dbraw/zinc/72/70/21/949727021.db2.gz CBXUGXYHIVNVFZ-ZJUUUORDSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170920 949742698 /nfs/dbraw/zinc/74/26/98/949742698.db2.gz OJCHOFULFMBBIJ-DZGCQCFKSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170920 949742715 /nfs/dbraw/zinc/74/27/15/949742715.db2.gz OJCHOFULFMBBIJ-DZGCQCFKSA-N 0 1 387.492 1.038 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574136710 949748055 /nfs/dbraw/zinc/74/80/55/949748055.db2.gz PYSNGUXLUCNKLK-LSDHHAIUSA-N 0 1 389.504 1.590 20 0 GDADMN C[C@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOC1 ZINC001575559917 949773034 /nfs/dbraw/zinc/77/30/34/949773034.db2.gz ZECSUAUMOQYFFJ-DYVFJYSZSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOC1 ZINC001575559917 949773044 /nfs/dbraw/zinc/77/30/44/949773044.db2.gz ZECSUAUMOQYFFJ-DYVFJYSZSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574965880 949822636 /nfs/dbraw/zinc/82/26/36/949822636.db2.gz NYOODVVVZNGUIS-KHIZAZIESA-N 0 1 376.486 1.482 20 0 GDADMN C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574965880 949822641 /nfs/dbraw/zinc/82/26/41/949822641.db2.gz NYOODVVVZNGUIS-KHIZAZIESA-N 0 1 376.486 1.482 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001574140477 949838188 /nfs/dbraw/zinc/83/81/88/949838188.db2.gz NXACQTYKZDEKTL-RBSFLKMASA-N 0 1 386.504 1.918 20 0 GDADMN CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001574140483 949838695 /nfs/dbraw/zinc/83/86/95/949838695.db2.gz NXACQTYKZDEKTL-RRFJBIMHSA-N 0 1 386.504 1.918 20 0 GDADMN CC(C)(C)C12CC(C(=O)N[C@H]3C[C@@H](Nc4ccnc(-c5nn[nH]n5)n4)C3)(C1)C2 ZINC001573825185 949863673 /nfs/dbraw/zinc/86/36/73/949863673.db2.gz LYFQDTCYINDLBG-ORMMXULVSA-N 0 1 382.472 1.354 20 0 GDADMN C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001574484213 949870926 /nfs/dbraw/zinc/87/09/26/949870926.db2.gz FOYDMKKNTJGWNV-CYBMUJFWSA-N 0 1 382.428 1.482 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576177981 949872084 /nfs/dbraw/zinc/87/20/84/949872084.db2.gz AGIRHUAJGLZPIN-ZBEGNZNMSA-N 0 1 384.419 1.504 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574484317 949877829 /nfs/dbraw/zinc/87/78/29/949877829.db2.gz ZBBRBXLBWAZJFN-DZGCQCFKSA-N 0 1 378.440 1.285 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573825528 949885417 /nfs/dbraw/zinc/88/54/17/949885417.db2.gz ZJCRQQZIXDLFSE-WXRRBKDZSA-N 0 1 392.529 1.567 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573825528 949885445 /nfs/dbraw/zinc/88/54/45/949885445.db2.gz ZJCRQQZIXDLFSE-WXRRBKDZSA-N 0 1 392.529 1.567 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178823 949900543 /nfs/dbraw/zinc/90/05/43/949900543.db2.gz CXDQLZDOOVKWCP-BXUZGUMPSA-N 0 1 384.469 1.493 20 0 GDADMN CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574143990 949902800 /nfs/dbraw/zinc/90/28/00/949902800.db2.gz JVIGAYJMILSAEJ-ZIAGYGMSSA-N 0 1 388.476 1.193 20 0 GDADMN C[C@@]1(C(=O)NC2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575569300 949913402 /nfs/dbraw/zinc/91/34/02/949913402.db2.gz HZVCXKOVCKQVMT-LJQANCHMSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575284852 949922416 /nfs/dbraw/zinc/92/24/16/949922416.db2.gz WYVBBRMPASIGIR-GHMZBOCLSA-N 0 1 382.428 1.097 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CN1CCc2ccccc21 ZINC001575284837 949922841 /nfs/dbraw/zinc/92/28/41/949922841.db2.gz KLIOIKRHGBXKLT-KGLIPLIRSA-N 0 1 392.467 1.051 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cncc1F)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574968971 949923324 /nfs/dbraw/zinc/92/33/24/949923324.db2.gz XFCCXNSFVFRQFS-SECBINFHSA-N 0 1 391.357 1.587 20 0 GDADMN C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001574485699 949932739 /nfs/dbraw/zinc/93/27/39/949932739.db2.gz ZCACDBUMYCIECX-AWEZNQCLSA-N 0 1 381.444 1.148 20 0 GDADMN CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)CCCC1 ZINC001575570114 949934854 /nfs/dbraw/zinc/93/48/54/949934854.db2.gz PNNTUVVGDCLNLB-ZDUSSCGKSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180174 949943180 /nfs/dbraw/zinc/94/31/80/949943180.db2.gz NFPKYOICZBVPSM-XHDPSFHLSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574490320 949985277 /nfs/dbraw/zinc/98/52/77/949985277.db2.gz PUMMNSNIEVKZNC-SQWLQELKSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@H](NC(=O)Cc1cccc(F)c1F)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575289617 950000844 /nfs/dbraw/zinc/00/08/44/950000844.db2.gz AKDIONQXRPGKDM-WDEREUQCSA-N 0 1 387.394 1.510 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576181649 950012061 /nfs/dbraw/zinc/01/20/61/950012061.db2.gz IQKDOISXGQUKPA-GXTWGEPZSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574730997 950042673 /nfs/dbraw/zinc/04/26/73/950042673.db2.gz VDZMTKYVEZTYLC-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnco1 ZINC001574151283 950064888 /nfs/dbraw/zinc/06/48/88/950064888.db2.gz OOOSIAPVBIWIMU-CQSZACIVSA-N 0 1 387.419 1.928 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCO1 ZINC001574151649 950088992 /nfs/dbraw/zinc/08/89/92/950088992.db2.gz XAKNEYBCAPSBFF-LBPRGKRZSA-N 0 1 392.485 1.437 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCO1 ZINC001574151649 950089014 /nfs/dbraw/zinc/08/90/14/950089014.db2.gz XAKNEYBCAPSBFF-LBPRGKRZSA-N 0 1 392.485 1.437 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCOC1 ZINC001574151670 950089058 /nfs/dbraw/zinc/08/90/58/950089058.db2.gz XQWNEJYJNRSCLB-QWHCGFSZSA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCOC1 ZINC001574151670 950089084 /nfs/dbraw/zinc/08/90/84/950089084.db2.gz XQWNEJYJNRSCLB-QWHCGFSZSA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000262514178 950134670 /nfs/dbraw/zinc/13/46/70/950134670.db2.gz MQSXFJHEMRBJPG-SQNIBIBYSA-N 0 1 393.528 1.810 20 0 GDADMN C[C@@H](N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccc(F)cc1F ZINC001574978352 950135818 /nfs/dbraw/zinc/13/58/18/950135818.db2.gz RZJSTOPUULTWON-VHSXEESVSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897625 950139231 /nfs/dbraw/zinc/13/92/31/950139231.db2.gz PILKUZANSIJMHJ-GUYCJALGSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575897685 950143288 /nfs/dbraw/zinc/14/32/88/950143288.db2.gz QBGCEPFIOCPECT-GUYCJALGSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cnccn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897702 950143623 /nfs/dbraw/zinc/14/36/23/950143623.db2.gz QFVIVSUMSAYYSM-XJKSGUPXSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C)(C)C1CCC1 ZINC001574154148 950166107 /nfs/dbraw/zinc/16/61/07/950166107.db2.gz CEOCBTZMHVVLSC-AWEZNQCLSA-N 0 1 386.504 1.848 20 0 GDADMN CC(C)(C)CCCCC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573844072 950183351 /nfs/dbraw/zinc/18/33/51/950183351.db2.gz ACCDARANGDICEC-CYBMUJFWSA-N 0 1 375.477 1.179 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CC12CCCC2 ZINC001574156009 950215481 /nfs/dbraw/zinc/21/54/81/950215481.db2.gz UHZNQDLCVNDHHC-KGLIPLIRSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2csnn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575902083 950251256 /nfs/dbraw/zinc/25/12/56/950251256.db2.gz SEFBHVVCUJPNOM-RISCZKNCSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575588794 950254771 /nfs/dbraw/zinc/25/47/71/950254771.db2.gz SPFROIWKKZNZJW-KUHUBIRLSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575588794 950254785 /nfs/dbraw/zinc/25/47/85/950254785.db2.gz SPFROIWKKZNZJW-KUHUBIRLSA-N 0 1 388.447 1.371 20 0 GDADMN CC(=O)NCC[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000263111829 950272272 /nfs/dbraw/zinc/27/22/72/950272272.db2.gz BUDHBIIJJQIFMW-KBXCAEBGSA-N 0 1 375.469 1.482 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCCO1 ZINC001574158762 950286819 /nfs/dbraw/zinc/28/68/19/950286819.db2.gz SAPMYBYXOKIQAW-HUUCEWRRSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905769 950300278 /nfs/dbraw/zinc/30/02/78/950300278.db2.gz FHYFYCCCXSCJNN-CMPLNLGQSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905769 950300298 /nfs/dbraw/zinc/30/02/98/950300298.db2.gz FHYFYCCCXSCJNN-CMPLNLGQSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906917 950321021 /nfs/dbraw/zinc/32/10/21/950321021.db2.gz KPZOOICXJQQSGV-GWCFXTLKSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906917 950321041 /nfs/dbraw/zinc/32/10/41/950321041.db2.gz KPZOOICXJQQSGV-GWCFXTLKSA-N 0 1 387.444 1.855 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1cccc1 ZINC001574159940 950326330 /nfs/dbraw/zinc/32/63/30/950326330.db2.gz ZYLJSJPSMMYEFO-HNNXBMFYSA-N 0 1 382.472 1.518 20 0 GDADMN CC1(C(=O)NCCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCCC1 ZINC001575595186 950351248 /nfs/dbraw/zinc/35/12/48/950351248.db2.gz YICOUVWRFWUKKH-UHFFFAOYSA-N 0 1 384.488 1.960 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908245 950356561 /nfs/dbraw/zinc/35/65/61/950356561.db2.gz SYVFOHKYPXRNKE-FZMZJTMJSA-N 0 1 387.469 1.628 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908245 950356581 /nfs/dbraw/zinc/35/65/81/950356581.db2.gz SYVFOHKYPXRNKE-FZMZJTMJSA-N 0 1 387.469 1.628 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574502388 950372608 /nfs/dbraw/zinc/37/26/08/950372608.db2.gz MPMRGIHIOBPNGW-ZIAGYGMSSA-N 0 1 381.440 1.991 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576198357 950404710 /nfs/dbraw/zinc/40/47/10/950404710.db2.gz SDWPGGJUVQNPRQ-ZIAGYGMSSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576198357 950404722 /nfs/dbraw/zinc/40/47/22/950404722.db2.gz SDWPGGJUVQNPRQ-ZIAGYGMSSA-N 0 1 387.463 1.751 20 0 GDADMN CC(C)n1ccc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C)n1 ZINC001575909806 950409257 /nfs/dbraw/zinc/40/92/57/950409257.db2.gz IIAQJAWMXAUYRQ-IUODEOHRSA-N 0 1 383.460 1.365 20 0 GDADMN CC1(C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575597530 950414248 /nfs/dbraw/zinc/41/42/48/950414248.db2.gz SVHRWSLDCMCBTM-UONOGXRCSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576198834 950415156 /nfs/dbraw/zinc/41/51/56/950415156.db2.gz VQXHQUYUVAYHFE-HOCLYGCPSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576198834 950415171 /nfs/dbraw/zinc/41/51/71/950415171.db2.gz VQXHQUYUVAYHFE-HOCLYGCPSA-N 0 1 384.488 1.031 20 0 GDADMN CC[NH+](CC)[C@@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1ccsc1 ZINC001589722802 950431839 /nfs/dbraw/zinc/43/18/39/950431839.db2.gz GWRLPNHXBKJVHL-KBPBESRZSA-N 0 1 375.516 1.514 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCCO1 ZINC001574507388 950456421 /nfs/dbraw/zinc/45/64/21/950456421.db2.gz IFTCLGTWZDEDCU-SZOQZIPDSA-N 0 1 385.472 1.196 20 0 GDADMN C[C@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC001575913942 950491199 /nfs/dbraw/zinc/49/11/99/950491199.db2.gz KLDCOPWICKQGSO-WCBMZHEXSA-N 0 1 389.370 1.638 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205131 950498570 /nfs/dbraw/zinc/49/85/70/950498570.db2.gz VCTCEHXFHMRGSM-BFUOFWGJSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(C)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576205131 950498578 /nfs/dbraw/zinc/49/85/78/950498578.db2.gz VCTCEHXFHMRGSM-BFUOFWGJSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574509496 950509939 /nfs/dbraw/zinc/50/99/39/950509939.db2.gz VNXKKNCKSXIFEK-SOUVJXGZSA-N 0 1 380.456 1.443 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccc(C(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753528 950525630 /nfs/dbraw/zinc/52/56/30/950525630.db2.gz OKZXXOLOVUFARZ-SNVBAGLBSA-N 0 1 388.382 1.589 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1ccco1 ZINC001574510766 950546113 /nfs/dbraw/zinc/54/61/13/950546113.db2.gz ACPRKFLACNRSKA-JHJVBQTASA-N 0 1 382.428 1.384 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc2c(c1)CCN2C)Nc1ccncc1-c1nn[nH]n1 ZINC001574754106 950558140 /nfs/dbraw/zinc/55/81/40/950558140.db2.gz XYSXXMFEFWVEQZ-CYBMUJFWSA-N 0 1 392.467 1.249 20 0 GDADMN C[C@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207130 950590613 /nfs/dbraw/zinc/59/06/13/950590613.db2.gz CWJCVGRTWAFYNO-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207130 950590655 /nfs/dbraw/zinc/59/06/55/950590655.db2.gz CWJCVGRTWAFYNO-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207130 950590666 /nfs/dbraw/zinc/59/06/66/950590666.db2.gz CWJCVGRTWAFYNO-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575617280 950600793 /nfs/dbraw/zinc/60/07/93/950600793.db2.gz ZPIBWMKGIIPRKD-HAQNSBGRSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575000413 950605548 /nfs/dbraw/zinc/60/55/48/950605548.db2.gz CPJPEDRSLYZWMS-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN CC1CCN(CC(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)CC1 ZINC001576208661 950616285 /nfs/dbraw/zinc/61/62/85/950616285.db2.gz ROJNUABXYGVBJC-AWEZNQCLSA-N 0 1 387.463 1.433 20 0 GDADMN CC(C)CCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001574174479 950635187 /nfs/dbraw/zinc/63/51/87/950635187.db2.gz ISIIOFXTMNQHPN-UONOGXRCSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574759602 950643474 /nfs/dbraw/zinc/64/34/74/950643474.db2.gz PIWUQPCDMHSGJC-GFCCVEGCSA-N 0 1 383.460 1.208 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575001928 950644935 /nfs/dbraw/zinc/64/49/35/950644935.db2.gz PIRLXKPPBIXLOM-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575922953 950656547 /nfs/dbraw/zinc/65/65/47/950656547.db2.gz BAUMOVXQQNURKM-STQMWFEESA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575922953 950656558 /nfs/dbraw/zinc/65/65/58/950656558.db2.gz BAUMOVXQQNURKM-STQMWFEESA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccn1 ZINC001575923508 950662874 /nfs/dbraw/zinc/66/28/74/950662874.db2.gz BSZGZAHYSFHHHE-BBRMVZONSA-N 0 1 378.440 1.113 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575926361 950709524 /nfs/dbraw/zinc/70/95/24/950709524.db2.gz JLRTWDHUGCYSKH-ZANVPECISA-N 0 1 386.366 1.072 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCc1ccccn1 ZINC001575926601 950715231 /nfs/dbraw/zinc/71/52/31/950715231.db2.gz XVMYSKBKRJJNJN-PBHICJAKSA-N 0 1 392.467 1.503 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001575927030 950731812 /nfs/dbraw/zinc/73/18/12/950731812.db2.gz ZSZDBURNZWOCKP-JOYOIKCWSA-N 0 1 386.366 1.072 20 0 GDADMN CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001573879948 950737018 /nfs/dbraw/zinc/73/70/18/950737018.db2.gz PRBWEYOTDGGGKK-NSHDSACASA-N 0 1 382.428 1.296 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COCC1CCCC1 ZINC001575927335 950743829 /nfs/dbraw/zinc/74/38/29/950743829.db2.gz PGTSFBHDTSBEDC-CJNGLKHVSA-N 0 1 385.472 1.292 20 0 GDADMN C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574765439 950787981 /nfs/dbraw/zinc/78/79/81/950787981.db2.gz CIFREHIQBVWUKX-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN CC1(C)C[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575638396 950825593 /nfs/dbraw/zinc/82/55/93/950825593.db2.gz BHKZSOJWZOUWAK-QWRGUYRKSA-N 0 1 392.414 1.423 20 0 GDADMN CC(C)C(C)(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001576220187 950826740 /nfs/dbraw/zinc/82/67/40/950826740.db2.gz VYQSTHFZAFYTOU-ZIAGYGMSSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)CCCCC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576226756 950886338 /nfs/dbraw/zinc/88/63/38/950886338.db2.gz ALKFWXIWOIKIEY-ZIAGYGMSSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573893868 950907484 /nfs/dbraw/zinc/90/74/84/950907484.db2.gz ZYQAAWNWJTXYCD-CYBMUJFWSA-N 0 1 384.488 1.555 20 0 GDADMN CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575642004 950933224 /nfs/dbraw/zinc/93/32/24/950933224.db2.gz SLOLSZIGRSPJJJ-CJNGLKHVSA-N 0 1 385.472 1.552 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575936991 950935395 /nfs/dbraw/zinc/93/53/95/950935395.db2.gz BVSXNWCIGVNJOW-QWHCGFSZSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575936991 950935412 /nfs/dbraw/zinc/93/54/12/950935412.db2.gz BVSXNWCIGVNJOW-QWHCGFSZSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575936991 950935427 /nfs/dbraw/zinc/93/54/27/950935427.db2.gz BVSXNWCIGVNJOW-QWHCGFSZSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575936991 950935450 /nfs/dbraw/zinc/93/54/50/950935450.db2.gz BVSXNWCIGVNJOW-QWHCGFSZSA-N 0 1 378.502 1.634 20 0 GDADMN C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575937564 950950190 /nfs/dbraw/zinc/95/01/90/950950190.db2.gz KQBMZCVSUVFXHT-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575937564 950950210 /nfs/dbraw/zinc/95/02/10/950950210.db2.gz KQBMZCVSUVFXHT-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)(CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573897767 950966912 /nfs/dbraw/zinc/96/69/12/950966912.db2.gz RSHUWAKQQZKZDA-UHFFFAOYSA-N 0 1 384.366 1.284 20 0 GDADMN CC(C)(CC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573898132 950974888 /nfs/dbraw/zinc/97/48/88/950974888.db2.gz XPBRBBKAZBKQJM-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)CCCN1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574195410 950980523 /nfs/dbraw/zinc/98/05/23/950980523.db2.gz NIONUEYKFKIEOI-SFHVURJKSA-N 0 1 375.477 1.452 20 0 GDADMN CC(C)(CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573899555 950985320 /nfs/dbraw/zinc/98/53/20/950985320.db2.gz DUYNTUSNIABLIS-GXTWGEPZSA-N 0 1 384.488 1.602 20 0 GDADMN CCOC(=O)Cn1cc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(-c2ccccc2)n1 ZINC001590728397 950991445 /nfs/dbraw/zinc/99/14/45/950991445.db2.gz KWSFYMTYOQVSJW-UWJYYQICSA-N 0 1 399.447 1.646 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccncc2-c2nn[nH]n2)CCO1 ZINC001575938758 950993423 /nfs/dbraw/zinc/99/34/23/950993423.db2.gz NCNDNFYSHKRUIB-KGLIPLIRSA-N 0 1 387.488 1.395 20 0 GDADMN CC(C)n1cc(CN[C@@H](C)C[C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001574530948 951007072 /nfs/dbraw/zinc/00/70/72/951007072.db2.gz DXVFIDJRKLDKAM-RYUDHWBXSA-N 0 1 386.464 1.054 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)cn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575022151 951069830 /nfs/dbraw/zinc/06/98/30/951069830.db2.gz HZIXEDLNKNMGGF-JTQLQIEISA-N 0 1 389.822 1.962 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)cn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575022154 951071262 /nfs/dbraw/zinc/07/12/62/951071262.db2.gz HZIXEDLNKNMGGF-SNVBAGLBSA-N 0 1 389.822 1.962 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001575023304 951078717 /nfs/dbraw/zinc/07/87/17/951078717.db2.gz MNGGBDJFBFJZRB-SECBINFHSA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024205 951095961 /nfs/dbraw/zinc/09/59/61/951095961.db2.gz XWBHSJXSWGVLME-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccncc1-c1nn[nH]n1 ZINC001575025137 951125175 /nfs/dbraw/zinc/12/51/75/951125175.db2.gz VVKGIVJVVBKMCD-CYBMUJFWSA-N 0 1 380.456 1.228 20 0 GDADMN CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)cc1 ZINC001575025352 951130261 /nfs/dbraw/zinc/13/02/61/951130261.db2.gz YHXVZIIKTZXFCZ-ZDUSSCGKSA-N 0 1 381.440 1.701 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575025787 951133500 /nfs/dbraw/zinc/13/35/00/951133500.db2.gz AJHVMTPPGFCUEN-QMMMGPOBSA-N 0 1 376.783 1.102 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c(C(=O)[O-])c1C ZINC001591467033 951151528 /nfs/dbraw/zinc/15/15/28/951151528.db2.gz UIZLRLKUOBCSFV-GOSISDBHSA-N 0 1 396.465 1.982 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c(C(=O)[O-])c1C ZINC001591467033 951151536 /nfs/dbraw/zinc/15/15/36/951151536.db2.gz UIZLRLKUOBCSFV-GOSISDBHSA-N 0 1 396.465 1.982 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c(C(=O)[O-])c1C ZINC001591467175 951152320 /nfs/dbraw/zinc/15/23/20/951152320.db2.gz WOTRRDJPIRVGBD-GXSJLCMTSA-N 0 1 384.454 1.573 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)c(C(=O)[O-])c1C ZINC001591467175 951152326 /nfs/dbraw/zinc/15/23/26/951152326.db2.gz WOTRRDJPIRVGBD-GXSJLCMTSA-N 0 1 384.454 1.573 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001575027700 951163105 /nfs/dbraw/zinc/16/31/05/951163105.db2.gz IDAMKLJKTJRNDS-VIFPVBQESA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575033816 951230640 /nfs/dbraw/zinc/23/06/40/951230640.db2.gz BUOUOLABBBMXJN-SECBINFHSA-N 0 1 377.861 1.885 20 0 GDADMN C[C@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575033816 951230655 /nfs/dbraw/zinc/23/06/55/951230655.db2.gz BUOUOLABBBMXJN-SECBINFHSA-N 0 1 377.861 1.885 20 0 GDADMN C[C@@H](CNC(=O)c1ccnnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575034124 951239049 /nfs/dbraw/zinc/23/90/49/951239049.db2.gz IEHXSJFWCLFEOA-ZETCQYMHSA-N 0 1 379.837 1.245 20 0 GDADMN C[C@H](CNC(=O)c1ccncn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575034910 951261889 /nfs/dbraw/zinc/26/18/89/951261889.db2.gz QLDKEPOZYLVXPE-SSDOTTSWSA-N 0 1 379.837 1.021 20 0 GDADMN O=C([O-])CC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001595018820 951304438 /nfs/dbraw/zinc/30/44/38/951304438.db2.gz FQVCGXNODGQKEF-GDBMZVCRSA-N 0 1 376.453 1.888 20 0 GDADMN C[C@@H](CNC(=O)c1ccsc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575039656 951332153 /nfs/dbraw/zinc/33/21/53/951332153.db2.gz RHNWFYJQHDAHOQ-MRVPVSSYSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394208974 951448915 /nfs/dbraw/zinc/44/89/15/951448915.db2.gz CZLWHBAYLYOULW-CRAIPNDOSA-N 0 1 395.525 1.528 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C)c1Cl)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575052372 951460809 /nfs/dbraw/zinc/46/08/09/951460809.db2.gz HPLIFRVPDSPWRH-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575054608 951493951 /nfs/dbraw/zinc/49/39/51/951493951.db2.gz YYWUENZDSAQMQA-SECBINFHSA-N 0 1 377.359 1.108 20 0 GDADMN C[C@@H](CNC(=O)c1cnn2c1CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575055466 951505042 /nfs/dbraw/zinc/50/50/42/951505042.db2.gz VAVRKYDDURPWES-NSHDSACASA-N 0 1 384.419 1.057 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575056656 951523023 /nfs/dbraw/zinc/52/30/23/951523023.db2.gz KODIBGYZKOARLY-NSHDSACASA-N 0 1 382.428 1.772 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C2CC2)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575057860 951532794 /nfs/dbraw/zinc/53/27/94/951532794.db2.gz RTSIOWJAGMJILB-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNC(=O)c1csc(Cl)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575058933 951537059 /nfs/dbraw/zinc/53/70/59/951537059.db2.gz WVFXSSHQVCKDRB-MRVPVSSYSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@@H](CNC(=O)c1csnn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575062109 951565510 /nfs/dbraw/zinc/56/55/10/951565510.db2.gz TYOACMCFLQCTHR-YFKPBYRVSA-N 0 1 385.866 1.083 20 0 GDADMN C[C@H](CNCc1cc(F)ccc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575080689 951712853 /nfs/dbraw/zinc/71/28/53/951712853.db2.gz MQPMCAFLBBPJPG-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001575090110 951757534 /nfs/dbraw/zinc/75/75/34/951757534.db2.gz JOEJQDJCWHEYRC-KRWDZBQOSA-N 0 1 386.485 1.199 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1CCOCC1 ZINC001575091782 951783439 /nfs/dbraw/zinc/78/34/39/951783439.db2.gz YAJUGKJIURAPLD-LBPRGKRZSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098480 951823105 /nfs/dbraw/zinc/82/31/05/951823105.db2.gz DOJLIWQUZVWLOS-LBPRGKRZSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098480 951823115 /nfs/dbraw/zinc/82/31/15/951823115.db2.gz DOJLIWQUZVWLOS-LBPRGKRZSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098755 951825188 /nfs/dbraw/zinc/82/51/88/951825188.db2.gz GHQLYOOQFBHJED-LLVKDONJSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098755 951825194 /nfs/dbraw/zinc/82/51/94/951825194.db2.gz GHQLYOOQFBHJED-LLVKDONJSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098756 951826629 /nfs/dbraw/zinc/82/66/29/951826629.db2.gz GHQLYOOQFBHJED-NSHDSACASA-N 0 1 386.485 1.227 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1CCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098756 951826637 /nfs/dbraw/zinc/82/66/37/951826637.db2.gz GHQLYOOQFBHJED-NSHDSACASA-N 0 1 386.485 1.227 20 0 GDADMN C[C@H](CNC(=O)c1cnn2cc[nH]c12)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099246 951830550 /nfs/dbraw/zinc/83/05/50/951830550.db2.gz JGXIHIGKDRGTDN-JTQLQIEISA-N 0 1 385.457 1.060 20 0 GDADMN C[C@H](CNC(=O)c1cnn2cc[nH]c12)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099246 951830557 /nfs/dbraw/zinc/83/05/57/951830557.db2.gz JGXIHIGKDRGTDN-JTQLQIEISA-N 0 1 385.457 1.060 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CC1CCOCC1 ZINC001575099867 951839715 /nfs/dbraw/zinc/83/97/15/951839715.db2.gz PQOKBJUSYYSDJB-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CC1CCOCC1 ZINC001575099867 951839721 /nfs/dbraw/zinc/83/97/21/951839721.db2.gz PQOKBJUSYYSDJB-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001575100099 951842164 /nfs/dbraw/zinc/84/21/64/951842164.db2.gz QQQBCSIQCKNNOR-LBPRGKRZSA-N 0 1 388.501 1.861 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001575100099 951842180 /nfs/dbraw/zinc/84/21/80/951842180.db2.gz QQQBCSIQCKNNOR-LBPRGKRZSA-N 0 1 388.501 1.861 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575101173 951855990 /nfs/dbraw/zinc/85/59/90/951855990.db2.gz AOMPWKMMFCQQRF-TWJWRFFLSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575101173 951855995 /nfs/dbraw/zinc/85/59/95/951855995.db2.gz AOMPWKMMFCQQRF-TWJWRFFLSA-N 0 1 390.513 1.680 20 0 GDADMN O=C([O-])Cn1cc(C(=O)N[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC001595142167 952088863 /nfs/dbraw/zinc/08/88/63/952088863.db2.gz LJNOIBNOFKTYNX-MRXNPFEDSA-N 0 1 397.357 1.300 20 0 GDADMN O=C([O-])Cn1cc(C(=O)N[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC001595142167 952088867 /nfs/dbraw/zinc/08/88/67/952088867.db2.gz LJNOIBNOFKTYNX-MRXNPFEDSA-N 0 1 397.357 1.300 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575135595 952119939 /nfs/dbraw/zinc/11/99/39/952119939.db2.gz LXVPYXMIGINCCP-INIZCTEOSA-N 0 1 392.414 1.211 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575136321 952124733 /nfs/dbraw/zinc/12/47/33/952124733.db2.gz ONNPXOSXWRKUIN-QUHUKJRKSA-N 0 1 382.472 1.212 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575141576 952144531 /nfs/dbraw/zinc/14/45/31/952144531.db2.gz IFHXNLYQGPDALT-AEGPPILISA-N 0 1 378.440 1.141 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC1(c2ccccc2)CC1 ZINC001575143353 952151019 /nfs/dbraw/zinc/15/10/19/952151019.db2.gz ORLQAFWFXMABEF-CQSZACIVSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575143622 952154568 /nfs/dbraw/zinc/15/45/68/952154568.db2.gz BRHPWSXKZDEXMP-GOSISDBHSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575143699 952156692 /nfs/dbraw/zinc/15/66/92/952156692.db2.gz CCXZAGZLDXGDTI-AUUYWEPGSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575143812 952157848 /nfs/dbraw/zinc/15/78/48/952157848.db2.gz SACHDMPWYSJGAM-LJQANCHMSA-N 0 1 378.440 1.018 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)Oc1cccc(Br)c1 ZINC001575143999 952161233 /nfs/dbraw/zinc/16/12/33/952161233.db2.gz FFEGMNQTDXNWCE-VIFPVBQESA-N 0 1 376.218 1.721 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc(F)c1Cl ZINC001575144661 952169531 /nfs/dbraw/zinc/16/95/31/952169531.db2.gz KARYJEMGZZRGEV-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1sccc1C1CC1 ZINC001575144871 952173154 /nfs/dbraw/zinc/17/31/54/952173154.db2.gz MYUHOGFVJQJOAD-SNVBAGLBSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnc2ccccc2c1 ZINC001575144924 952173757 /nfs/dbraw/zinc/17/37/57/952173757.db2.gz NQRROTSCNUJXSI-GFCCVEGCSA-N 0 1 389.423 1.199 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575145051 952177363 /nfs/dbraw/zinc/17/73/63/952177363.db2.gz OSFRGTYICCTSQU-ORAYPTAESA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCc1cccnc1)C1CC1 ZINC001575145515 952185403 /nfs/dbraw/zinc/18/54/03/952185403.db2.gz ZBIHCOOINOKRRO-FQEVSTJZSA-N 0 1 392.467 1.408 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575146647 952195589 /nfs/dbraw/zinc/19/55/89/952195589.db2.gz MQTQKBKSVYWBCA-SNVBAGLBSA-N 0 1 388.382 1.589 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575165914 952316542 /nfs/dbraw/zinc/31/65/42/952316542.db2.gz RCERQZURXLNUQG-WDSKDSINSA-N 0 1 377.808 1.891 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575166302 952324200 /nfs/dbraw/zinc/32/42/00/952324200.db2.gz VCAZTEFFDXGXCY-IUCAKERBSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575190489 952462430 /nfs/dbraw/zinc/46/24/30/952462430.db2.gz SXRAWMGSRIJOJF-NEPJUHHUSA-N 0 1 384.419 1.013 20 0 GDADMN O=C(C1Cc2ccccc2C1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571117147 952479787 /nfs/dbraw/zinc/47/97/87/952479787.db2.gz HEXDVVOHAMBARJ-MRXNPFEDSA-N 0 1 375.436 1.111 20 0 GDADMN Cc1cc(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)ccn1 ZINC001571119391 952490937 /nfs/dbraw/zinc/49/09/37/952490937.db2.gz APZRXNPAASLBSS-GASCZTMLSA-N 0 1 376.424 1.174 20 0 GDADMN O=C(N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2)c1cccnc1 ZINC001571120903 952511387 /nfs/dbraw/zinc/51/13/87/952511387.db2.gz SXWKDYISQZLEEJ-MRXNPFEDSA-N 0 1 376.424 1.446 20 0 GDADMN CC[C@H](SC)C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571121732 952521792 /nfs/dbraw/zinc/52/17/92/952521792.db2.gz CIOPGRPIBDPMMA-RYUDHWBXSA-N 0 1 376.490 1.013 20 0 GDADMN CO[C@@H](C)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC001571122831 952526437 /nfs/dbraw/zinc/52/64/37/952526437.db2.gz MEBVUDBSAPZVJU-LBPRGKRZSA-N 0 1 376.486 1.388 20 0 GDADMN CO[C@@H](C)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC001571122831 952526441 /nfs/dbraw/zinc/52/64/41/952526441.db2.gz MEBVUDBSAPZVJU-LBPRGKRZSA-N 0 1 376.486 1.388 20 0 GDADMN CC(C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571123099 952527506 /nfs/dbraw/zinc/52/75/06/952527506.db2.gz OOWGYVVUZPVGKL-WCQYABFASA-N 0 1 376.486 1.122 20 0 GDADMN CC(C)(O)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571123099 952527511 /nfs/dbraw/zinc/52/75/11/952527511.db2.gz OOWGYVVUZPVGKL-WCQYABFASA-N 0 1 376.486 1.122 20 0 GDADMN CC(C)(O)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571123099 952527514 /nfs/dbraw/zinc/52/75/14/952527514.db2.gz OOWGYVVUZPVGKL-WCQYABFASA-N 0 1 376.486 1.122 20 0 GDADMN CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001571123131 952528880 /nfs/dbraw/zinc/52/88/80/952528880.db2.gz PWWGMLJJSZNFMF-WBVHZDCISA-N 0 1 376.468 1.930 20 0 GDADMN CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001571123131 952528884 /nfs/dbraw/zinc/52/88/84/952528884.db2.gz PWWGMLJJSZNFMF-WBVHZDCISA-N 0 1 376.468 1.930 20 0 GDADMN CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001571123131 952528887 /nfs/dbraw/zinc/52/88/87/952528887.db2.gz PWWGMLJJSZNFMF-WBVHZDCISA-N 0 1 376.468 1.930 20 0 GDADMN CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001571123131 952528891 /nfs/dbraw/zinc/52/88/91/952528891.db2.gz PWWGMLJJSZNFMF-WBVHZDCISA-N 0 1 376.468 1.930 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571124120 952533676 /nfs/dbraw/zinc/53/36/76/952533676.db2.gz ZHIDAIUIFJPWII-CHWSQXEVSA-N 0 1 376.486 1.435 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571124120 952533683 /nfs/dbraw/zinc/53/36/83/952533683.db2.gz ZHIDAIUIFJPWII-CHWSQXEVSA-N 0 1 376.486 1.435 20 0 GDADMN CC(F)(F)C(=O)N1CC2(C1)CCN(Cc1ccc(-c3nn[nH]n3)cc1F)C2 ZINC001575208017 952538352 /nfs/dbraw/zinc/53/83/52/952538352.db2.gz ZASYCNAYXHFJGW-UHFFFAOYSA-N 0 1 380.374 1.695 20 0 GDADMN O=C([C@H]1CCCCC1(F)F)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571124708 952543076 /nfs/dbraw/zinc/54/30/76/952543076.db2.gz RQWCBXCDIMAKFW-WCQYABFASA-N 0 1 377.399 1.522 20 0 GDADMN CC(F)(F)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001575211866 952550889 /nfs/dbraw/zinc/55/08/89/952550889.db2.gz BJIPCQSUHHGODK-YUTCNCBUSA-N 0 1 376.411 1.991 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)c2ccccn2)CCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571134618 952593097 /nfs/dbraw/zinc/59/30/97/952593097.db2.gz IFMKPDNZZAYQDG-GOEBONIOSA-N 0 1 378.440 1.752 20 0 GDADMN CCCc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571135194 952600450 /nfs/dbraw/zinc/60/04/50/952600450.db2.gz QWPYRFCNGYIZNU-OAHLLOKOSA-N 0 1 378.440 1.358 20 0 GDADMN COc1ccc(CN2CC[C@H](NC(=O)c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC001571136799 952616086 /nfs/dbraw/zinc/61/60/86/952616086.db2.gz WHHIEWINKKOQFJ-INIZCTEOSA-N 0 1 378.436 1.880 20 0 GDADMN Cc1ncccc1CN1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001571140981 952629743 /nfs/dbraw/zinc/62/97/43/952629743.db2.gz DNIVGZORJCHDPV-WMLDXEAASA-N 0 1 378.440 1.245 20 0 GDADMN CC[C@@H](C(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1)[NH+](C)C ZINC001571142291 952639855 /nfs/dbraw/zinc/63/98/55/952639855.db2.gz OJJOTVAUWLXHNB-LBPRGKRZSA-N 0 1 378.506 1.375 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571153928 952688523 /nfs/dbraw/zinc/68/85/23/952688523.db2.gz VYVQXLLUXXCXGN-IIMNLJJBSA-N 0 1 380.374 1.740 20 0 GDADMN O=C(NC[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CC1(F)F ZINC001571153957 952688579 /nfs/dbraw/zinc/68/85/79/952688579.db2.gz WYRULJGQHNHVIH-WCQYABFASA-N 0 1 380.374 1.742 20 0 GDADMN O=C(c1ccncc1F)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571155021 952691166 /nfs/dbraw/zinc/69/11/66/952691166.db2.gz DVPTUXWESHTZNT-TXEJJXNPSA-N 0 1 380.387 1.004 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)c3cncnc3)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156039 952701307 /nfs/dbraw/zinc/70/13/07/952701307.db2.gz BIXQAKNQCAVSPY-OAHLLOKOSA-N 0 1 379.428 1.005 20 0 GDADMN Cc1cc(N(C)C[C@@H]2CCCN2C(=O)c2cncnc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156733 952704931 /nfs/dbraw/zinc/70/49/31/952704931.db2.gz IEYKYRURZACWJT-AWEZNQCLSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3ncoc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158649 952713394 /nfs/dbraw/zinc/71/33/94/952713394.db2.gz LNNCLGALSIGPQZ-HAQNSBGRSA-N 0 1 380.412 1.230 20 0 GDADMN Cc1ccc(N2C[C@H](C(=O)Nc3c[nH]nc3-c3nn[nH]n3)CCC2=O)cc1C ZINC001571159309 952718511 /nfs/dbraw/zinc/71/85/11/952718511.db2.gz UGEHBYJVLAKBQW-GFCCVEGCSA-N 0 1 380.412 1.588 20 0 GDADMN Cc1ccc(C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)cc1-c1nn[nH]n1 ZINC001571165677 952753040 /nfs/dbraw/zinc/75/30/40/952753040.db2.gz HLGLNXKVWPZABV-QGZVFWFLSA-N 0 1 380.427 1.971 20 0 GDADMN CCc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)nn1C ZINC001571165688 952753820 /nfs/dbraw/zinc/75/38/20/952753820.db2.gz HMVOQAHSPXEPQD-AWEZNQCLSA-N 0 1 380.456 1.167 20 0 GDADMN CCc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571165646 952753837 /nfs/dbraw/zinc/75/38/37/952753837.db2.gz HIDVRYJOTKRGTA-OAHLLOKOSA-N 0 1 380.456 1.547 20 0 GDADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000383339943 971864282 /nfs/dbraw/zinc/86/42/82/971864282.db2.gz QLHBLPOOSPPMPQ-CQSZACIVSA-N 0 1 378.454 1.251 20 0 GDADMN Cc1ncc(C(=O)N[C@@H]2CC[C@@H](C)N(Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571169372 952772829 /nfs/dbraw/zinc/77/28/29/952772829.db2.gz AUGKADNZIGBIDS-MLGOLLRUSA-N 0 1 380.456 1.681 20 0 GDADMN CCn1nccc1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571169339 952773055 /nfs/dbraw/zinc/77/30/55/952773055.db2.gz ABKITKUUQDONRY-MRXNPFEDSA-N 0 1 380.456 1.478 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)Cc3ccc[nH]3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169543 952774875 /nfs/dbraw/zinc/77/48/75/952774875.db2.gz GNLSURUAVAHPAN-HIFRSBDPSA-N 0 1 380.456 1.614 20 0 GDADMN Cc1ncccc1CN(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571170843 952789164 /nfs/dbraw/zinc/78/91/64/952789164.db2.gz XNYVOFXWULTKCO-INIZCTEOSA-N 0 1 380.456 1.635 20 0 GDADMN CO[C@@H]1CCOC[C@H]1N[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001571171566 952795121 /nfs/dbraw/zinc/79/51/21/952795121.db2.gz CFTHPIFRNRABAO-OWYVNGRQSA-N 0 1 380.836 1.241 20 0 GDADMN Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001571179590 952855322 /nfs/dbraw/zinc/85/53/22/952855322.db2.gz GKKFYYWVUYSQIG-LRDDRELGSA-N 0 1 381.440 1.697 20 0 GDADMN Cc1nocc1C(=O)N[C@H]1CC[C@@H](C)N(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571180463 952860510 /nfs/dbraw/zinc/86/05/10/952860510.db2.gz OUIQJIABSRIWGN-WBMJQRKESA-N 0 1 381.440 1.946 20 0 GDADMN COc1cccc(CN2CC[C@@H](N(C)C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571183147 952874451 /nfs/dbraw/zinc/87/44/51/952874451.db2.gz QAILRWVLRVZKLD-OAHLLOKOSA-N 0 1 381.440 1.550 20 0 GDADMN O=C(Cc1ccc[nH]1)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001571183206 952875138 /nfs/dbraw/zinc/87/51/38/952875138.db2.gz SKQYPTGDZAQNIO-HWWDLCQESA-N 0 1 381.415 1.123 20 0 GDADMN C[C@@H](NC(=O)c1ccn(C)c1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184240 952890560 /nfs/dbraw/zinc/89/05/60/952890560.db2.gz UOTCFBUAQLEIEN-CHWSQXEVSA-N 0 1 381.444 1.030 20 0 GDADMN CCn1cc(C(=O)N2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001571184642 952894724 /nfs/dbraw/zinc/89/47/24/952894724.db2.gz CCZRDDHSRIGXNA-AWEZNQCLSA-N 0 1 381.444 1.007 20 0 GDADMN CCn1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571184805 952897030 /nfs/dbraw/zinc/89/70/30/952897030.db2.gz DEHCBMBWKZGXCD-CYBMUJFWSA-N 0 1 381.444 1.185 20 0 GDADMN Cc1cc(N2CCCC[C@H]2CNC(=O)c2cn(C)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187675 952909473 /nfs/dbraw/zinc/90/94/73/952909473.db2.gz ANBIGVDYYIFNGM-ZDUSSCGKSA-N 0 1 381.444 1.093 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)c3ccn(C)n3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188146 952912502 /nfs/dbraw/zinc/91/25/02/952912502.db2.gz GSWRIHDRBNBBQB-OCCSQVGLSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1ncc(C(=O)N[C@H]2CC[C@H](CNc3ccncc3-c3nn[nH]n3)CC2)[nH]1 ZINC001571188989 952922757 /nfs/dbraw/zinc/92/27/57/952922757.db2.gz LJTUYYQEYBRHHO-JOCQHMNTSA-N 0 1 381.444 1.116 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571189051 952923801 /nfs/dbraw/zinc/92/38/01/952923801.db2.gz QXZPDYDRJWSVBO-QWHCGFSZSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1cnc(CN[C@@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 ZINC001571189525 952931070 /nfs/dbraw/zinc/93/10/70/952931070.db2.gz WUILQGDCGIKLBM-KGLIPLIRSA-N 0 1 381.444 1.124 20 0 GDADMN Cc1cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4C(C)C)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189987 952939039 /nfs/dbraw/zinc/93/90/39/952939039.db2.gz BRKLRGCXYHFYCJ-XUWVNRHRSA-N 0 1 381.484 1.757 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2cn(C)nc2C(F)F)cc1-c1nn[nH]n1 ZINC001571194484 952963766 /nfs/dbraw/zinc/96/37/66/952963766.db2.gz NVLULDRGLIHGEK-UHFFFAOYSA-N 0 1 382.356 1.613 20 0 GDADMN C[C@@H](C(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001571194519 952964631 /nfs/dbraw/zinc/96/46/31/952964631.db2.gz OHUOMFKTAUBRFR-XVKPBYJWSA-N 0 1 382.306 1.254 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001571196018 952979351 /nfs/dbraw/zinc/97/93/51/952979351.db2.gz GPIATAOKLQJIQD-NEPJUHHUSA-N 0 1 382.403 1.180 20 0 GDADMN Cc1cccc(F)c1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571197408 952989340 /nfs/dbraw/zinc/98/93/40/952989340.db2.gz ZJJRUMFPLFEROW-LBPRGKRZSA-N 0 1 382.403 1.361 20 0 GDADMN Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)o1 ZINC001571201022 953013681 /nfs/dbraw/zinc/01/36/81/953013681.db2.gz IENMAXQLKQXWPS-CHWSQXEVSA-N 0 1 382.428 1.187 20 0 GDADMN Cc1nc(C)c(C(=O)N2CCC[C@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)o1 ZINC001571201074 953014120 /nfs/dbraw/zinc/01/41/20/953014120.db2.gz JHFWZDHHEUFMOB-ZDUSSCGKSA-N 0 1 382.428 1.314 20 0 GDADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2ccoc2C)CC1 ZINC001571201117 953014819 /nfs/dbraw/zinc/01/48/19/953014819.db2.gz MVZFVDGOXVZNKI-UHFFFAOYSA-N 0 1 382.428 1.477 20 0 GDADMN Cc1nocc1CN1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001571207057 953058968 /nfs/dbraw/zinc/05/89/68/953058968.db2.gz VMXMIVZQXMCIAI-CRAIPNDOSA-N 0 1 382.428 1.418 20 0 GDADMN O=C(NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571209651 953065893 /nfs/dbraw/zinc/06/58/93/953065893.db2.gz AIPTVRDHLDFZCZ-ZIUMLUTBSA-N 0 1 382.440 1.814 20 0 GDADMN O=C(NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571209651 953065896 /nfs/dbraw/zinc/06/58/96/953065896.db2.gz AIPTVRDHLDFZCZ-ZIUMLUTBSA-N 0 1 382.440 1.814 20 0 GDADMN Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)s1 ZINC001571210168 953070521 /nfs/dbraw/zinc/07/05/21/953070521.db2.gz NHCLQCXLYUJIEM-RYUDHWBXSA-N 0 1 382.453 1.438 20 0 GDADMN O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC12CCOCC2 ZINC001571210844 953075690 /nfs/dbraw/zinc/07/56/90/953075690.db2.gz YCXFNWPWCRVECU-RDJZCZTQSA-N 0 1 382.468 1.374 20 0 GDADMN O=C(NC[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC12CCOCC2 ZINC001571210844 953075694 /nfs/dbraw/zinc/07/56/94/953075694.db2.gz YCXFNWPWCRVECU-RDJZCZTQSA-N 0 1 382.468 1.374 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571214019 953098426 /nfs/dbraw/zinc/09/84/26/953098426.db2.gz VFYLAEJDXUQNMU-BARDWOONSA-N 0 1 382.472 1.663 20 0 GDADMN O=C([C@H]1CC2CCC1CC2)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571216891 953104657 /nfs/dbraw/zinc/10/46/57/953104657.db2.gz BNPVZUVKGSJWJF-NRXISQOPSA-N 0 1 382.472 1.522 20 0 GDADMN O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCC12CC2 ZINC001571217346 953107241 /nfs/dbraw/zinc/10/72/41/953107241.db2.gz FWGDDBVZBNNNQT-KBPBESRZSA-N 0 1 382.472 1.570 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1)c1ccc(=O)[nH]c1 ZINC001571218520 953116215 /nfs/dbraw/zinc/11/62/15/953116215.db2.gz WMOIGZMGISBRNK-CQSZACIVSA-N 0 1 383.387 1.111 20 0 GDADMN O=C([C@H]1CCCC2(CC2)C1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571219096 953122542 /nfs/dbraw/zinc/12/25/42/953122542.db2.gz VCOLNBRUSHIZMP-KBPBESRZSA-N 0 1 382.472 1.452 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571232721 953188662 /nfs/dbraw/zinc/18/86/62/953188662.db2.gz JWXBHNFGJGYQPC-CZUORRHYSA-N 0 1 383.456 1.163 20 0 GDADMN Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@]2(C)CCCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233369 953192362 /nfs/dbraw/zinc/19/23/62/953192362.db2.gz SZNROGDXZNNRJC-CKFHNAJUSA-N 0 1 383.456 1.176 20 0 GDADMN CC(C)n1ccc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C)n1 ZINC001571233664 953194628 /nfs/dbraw/zinc/19/46/28/953194628.db2.gz ZTZFXUDBDNDEHR-IUODEOHRSA-N 0 1 383.460 1.365 20 0 GDADMN Cc1ccc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001571234241 953199679 /nfs/dbraw/zinc/19/96/79/953199679.db2.gz QOCPYUWCRUTDTC-CQSZACIVSA-N 0 1 383.481 1.565 20 0 GDADMN Cc1ccc(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001571234241 953199682 /nfs/dbraw/zinc/19/96/82/953199682.db2.gz QOCPYUWCRUTDTC-CQSZACIVSA-N 0 1 383.481 1.565 20 0 GDADMN O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@@H]1CCCCO1 ZINC001571235201 953209353 /nfs/dbraw/zinc/20/93/53/953209353.db2.gz WQBGBTCUPBFWDO-YIZRAAEISA-N 0 1 383.865 1.605 20 0 GDADMN COc1cccc2c1OCCC[C@H]2NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001571238149 953225703 /nfs/dbraw/zinc/22/57/03/953225703.db2.gz VNKRCZSGSXXGMU-CMPLNLGQSA-N 0 1 384.400 1.058 20 0 GDADMN CCN(C(=O)c1ncc[nH]1)[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239238 953237048 /nfs/dbraw/zinc/23/70/48/953237048.db2.gz IFXDWORGMPLISF-CQSZACIVSA-N 0 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606289144 /nfs/dbraw/zinc/28/91/44/606289144.db2.gz MAMJQHSEFRAHSU-UHFFFAOYSA-N 0 1 381.371 1.620 20 0 GDADMN O=C(NCc1c[nH]nn1)c1cccc(COc2ccccc2-c2nn[nH]n2)c1 ZINC000823229332 606298210 /nfs/dbraw/zinc/29/82/10/606298210.db2.gz LZEGMDOTYDWXGL-UHFFFAOYSA-N 0 1 376.380 1.494 20 0 GDADMN CC[C@@H](C)C[N@@H+](CC)CC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1 ZINC000820869933 606376069 /nfs/dbraw/zinc/37/60/69/606376069.db2.gz KHOQITHFCFLOPP-CYBMUJFWSA-N 0 1 390.492 1.180 20 0 GDADMN CC[C@@H](C)C[N@H+](CC)CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000820869933 606376075 /nfs/dbraw/zinc/37/60/75/606376075.db2.gz KHOQITHFCFLOPP-CYBMUJFWSA-N 0 1 390.492 1.180 20 0 GDADMN CC[C@@H](C)C[N@@H+](CC)CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000820869933 606376076 /nfs/dbraw/zinc/37/60/76/606376076.db2.gz KHOQITHFCFLOPP-CYBMUJFWSA-N 0 1 390.492 1.180 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)cc1-c1nn[nH]n1 ZINC000821978719 606585405 /nfs/dbraw/zinc/58/54/05/606585405.db2.gz MGBVFYXTPWTIGC-ZWNOBZJWSA-N 0 1 392.485 1.870 20 0 GDADMN CC[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C[C@H](C)O ZINC000820988281 606596819 /nfs/dbraw/zinc/59/68/19/606596819.db2.gz DSHIDGQBVLSBHI-AAEUAGOBSA-N 0 1 377.424 1.315 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCOC[C@H]2c2ccccc2)cc1-c1nn[nH]n1 ZINC000821971068 606658271 /nfs/dbraw/zinc/65/82/71/606658271.db2.gz XBADOULUYKWVNI-AWEZNQCLSA-N 0 1 398.448 1.903 20 0 GDADMN C[C@@H]1CN(CCCNC(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C[C@H](C)O1 ZINC000820760464 606664350 /nfs/dbraw/zinc/66/43/50/606664350.db2.gz QTOUAVATIYZSEE-PHIMTYICSA-N 0 1 380.399 1.374 20 0 GDADMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819854992 606699263 /nfs/dbraw/zinc/69/92/63/606699263.db2.gz DWBWHZIVEFCHGG-JHJVBQTASA-N 0 1 389.508 1.214 20 0 GDADMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819854992 606699265 /nfs/dbraw/zinc/69/92/65/606699265.db2.gz DWBWHZIVEFCHGG-JHJVBQTASA-N 0 1 389.508 1.214 20 0 GDADMN CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000821486633 606702290 /nfs/dbraw/zinc/70/22/90/606702290.db2.gz JEVVHKGRPJDTIL-GFCCVEGCSA-N 0 1 397.487 1.626 20 0 GDADMN CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000821486633 606702291 /nfs/dbraw/zinc/70/22/91/606702291.db2.gz JEVVHKGRPJDTIL-GFCCVEGCSA-N 0 1 397.487 1.626 20 0 GDADMN CCOC(=O)CCCCC[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821326249 606781685 /nfs/dbraw/zinc/78/16/85/606781685.db2.gz VWNPDBHCYKLBKS-AWEZNQCLSA-N 0 1 388.476 1.291 20 0 GDADMN CCOC(=O)CCCCC[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821326249 606781686 /nfs/dbraw/zinc/78/16/86/606781686.db2.gz VWNPDBHCYKLBKS-AWEZNQCLSA-N 0 1 388.476 1.291 20 0 GDADMN CCOC(=O)CCCCC[N@@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821326249 606781687 /nfs/dbraw/zinc/78/16/87/606781687.db2.gz VWNPDBHCYKLBKS-AWEZNQCLSA-N 0 1 388.476 1.291 20 0 GDADMN CCOC(=O)CCCCC[N@H+]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821326249 606781688 /nfs/dbraw/zinc/78/16/88/606781688.db2.gz VWNPDBHCYKLBKS-AWEZNQCLSA-N 0 1 388.476 1.291 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCc2ccccc2[C@H]1CO ZINC000821702221 606788473 /nfs/dbraw/zinc/78/84/73/606788473.db2.gz LWMVQJQITFORIR-QGZVFWFLSA-N 0 1 381.436 1.846 20 0 GDADMN COCCCn1c(=O)[nH]nc1SCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821688780 606835643 /nfs/dbraw/zinc/83/56/43/606835643.db2.gz ZRFUIZHQMPANKO-UHFFFAOYSA-N 0 1 391.457 1.762 20 0 GDADMN O=S(=O)(NCCOc1ccccc1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578639 606883412 /nfs/dbraw/zinc/88/34/12/606883412.db2.gz QVRBRZOTVHXEAS-UHFFFAOYSA-N 0 1 399.354 1.641 20 0 GDADMN O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCC[C@H]1CN1CCCC1 ZINC000823594029 606889733 /nfs/dbraw/zinc/88/97/33/606889733.db2.gz ALRPUUHKVYYPFF-LBPRGKRZSA-N 0 1 398.439 1.394 20 0 GDADMN CC(C)(C)OC(=O)CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000819927933 606891340 /nfs/dbraw/zinc/89/13/40/606891340.db2.gz BOZYWJNBRASYDR-UHFFFAOYSA-N 0 1 389.384 1.155 20 0 GDADMN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C12CCC2 ZINC000821362254 606892095 /nfs/dbraw/zinc/89/20/95/606892095.db2.gz YWVLAOUUSPAULR-CHWSQXEVSA-N 0 1 399.423 1.771 20 0 GDADMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CN1Cc1ccccc1 ZINC000820667812 606897781 /nfs/dbraw/zinc/89/77/81/606897781.db2.gz ODKCKZPSIWMPLA-RHSMWYFYSA-N 0 1 398.492 1.808 20 0 GDADMN O=S(=O)(NC[C@@H]1CSCCS1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572502 606934554 /nfs/dbraw/zinc/93/45/54/606934554.db2.gz IKQMYQFBELUZQZ-MRVPVSSYSA-N 0 1 393.466 1.272 20 0 GDADMN CC(C)(C)c1nc([C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000819965806 606976129 /nfs/dbraw/zinc/97/61/29/606976129.db2.gz NVCGQZYXPDEVGW-CQSZACIVSA-N 0 1 386.435 1.995 20 0 GDADMN CC(C)(C)c1nnc([C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CCO2)[nH]1 ZINC000819965806 606976131 /nfs/dbraw/zinc/97/61/31/606976131.db2.gz NVCGQZYXPDEVGW-CQSZACIVSA-N 0 1 386.435 1.995 20 0 GDADMN C[C@H](Cc1ccc(O)cc1)N(C)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000820299782 607078220 /nfs/dbraw/zinc/07/82/20/607078220.db2.gz KDZMJKSZKNBUFJ-CQSZACIVSA-N 0 1 380.452 1.752 20 0 GDADMN O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000823705349 607129401 /nfs/dbraw/zinc/12/94/01/607129401.db2.gz GFVWFLNQZMGJQQ-IRXDYDNUSA-N 0 1 394.483 1.990 20 0 GDADMN O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000823705349 607129402 /nfs/dbraw/zinc/12/94/02/607129402.db2.gz GFVWFLNQZMGJQQ-IRXDYDNUSA-N 0 1 394.483 1.990 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC000822199623 607184726 /nfs/dbraw/zinc/18/47/26/607184726.db2.gz BJJINVXKAUDMTB-MRVPVSSYSA-N 0 1 388.819 1.238 20 0 GDADMN CC1CC[NH+]([C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc2)CC1 ZINC000820722688 607209645 /nfs/dbraw/zinc/20/96/45/607209645.db2.gz LVICCLCUOCLJAT-MRXNPFEDSA-N 0 1 395.471 1.048 20 0 GDADMN Cc1cccc(Oc2ncccc2NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1C ZINC000822331650 607209819 /nfs/dbraw/zinc/20/98/19/607209819.db2.gz JFQHVITUMMOKDT-UHFFFAOYSA-N 0 1 391.395 1.901 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000823127042 607210364 /nfs/dbraw/zinc/21/03/64/607210364.db2.gz RDIXXWYKZBOMHW-UHFFFAOYSA-N 0 1 396.361 1.642 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(OCc2cccnc2)cc1 ZINC000823135936 607214448 /nfs/dbraw/zinc/21/44/48/607214448.db2.gz BCOXGAFRJCWBQM-UHFFFAOYSA-N 0 1 377.368 1.071 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000823127110 607215878 /nfs/dbraw/zinc/21/58/78/607215878.db2.gz UAEAYYSFNYULEI-SFHVURJKSA-N 0 1 386.419 1.633 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000823122472 607217887 /nfs/dbraw/zinc/21/78/87/607217887.db2.gz BSFOFNNTYMFDIO-UHFFFAOYSA-N 0 1 386.847 1.593 20 0 GDADMN Cc1ccc(C)c([C@H]2CN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)[C@@H](C)CO2)c1 ZINC000822232113 607219726 /nfs/dbraw/zinc/21/97/26/607219726.db2.gz UJQYOTWTJQDMSK-DZGCQCFKSA-N 0 1 382.428 1.064 20 0 GDADMN C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821623075 607230476 /nfs/dbraw/zinc/23/04/76/607230476.db2.gz BTUCXCLIZJFBCA-DGCLKSJQSA-N 0 1 380.449 1.111 20 0 GDADMN C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821623075 607230477 /nfs/dbraw/zinc/23/04/77/607230477.db2.gz BTUCXCLIZJFBCA-DGCLKSJQSA-N 0 1 380.449 1.111 20 0 GDADMN C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821623075 607230478 /nfs/dbraw/zinc/23/04/78/607230478.db2.gz BTUCXCLIZJFBCA-DGCLKSJQSA-N 0 1 380.449 1.111 20 0 GDADMN C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821623075 607230479 /nfs/dbraw/zinc/23/04/79/607230479.db2.gz BTUCXCLIZJFBCA-DGCLKSJQSA-N 0 1 380.449 1.111 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000823123192 607239526 /nfs/dbraw/zinc/23/95/26/607239526.db2.gz RLBIFRCOSLXWLF-UHFFFAOYSA-N 0 1 384.297 1.188 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@]2(O)CCc3ccccc32)cc1-c1nn[nH]n1 ZINC000826229627 607781811 /nfs/dbraw/zinc/78/18/11/607781811.db2.gz LEYPVVJZEWTSKZ-SFHVURJKSA-N 0 1 398.448 1.253 20 0 GDADMN CCC(CC)(C[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C(=O)OC ZINC000825089680 607792312 /nfs/dbraw/zinc/79/23/12/607792312.db2.gz KOQAQUSRIQUHRO-UHFFFAOYSA-N 0 1 378.433 1.584 20 0 GDADMN CCS(=O)(=O)NCCCN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825663233 607795966 /nfs/dbraw/zinc/79/59/66/607795966.db2.gz JZCIIAQOJIDSKE-UHFFFAOYSA-N 0 1 394.501 1.039 20 0 GDADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(Cn2ccnn2)CC1 ZINC000824045085 607801381 /nfs/dbraw/zinc/80/13/81/607801381.db2.gz FYCJAXKYPUCPRZ-CYBMUJFWSA-N 0 1 381.444 1.197 20 0 GDADMN CCN1CCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000825459440 607831564 /nfs/dbraw/zinc/83/15/64/607831564.db2.gz KOXMYZZGLKPISY-VXGBXAGGSA-N 0 1 377.880 1.873 20 0 GDADMN Cc1ccccc1[C@@H](OC[C@H](O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000826305666 607869243 /nfs/dbraw/zinc/86/92/43/607869243.db2.gz FAKQKBNKAUJYMU-AEFFLSMTSA-N 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CC1([C@@H]2CCCN([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)OCCO1 ZINC000824818030 608132013 /nfs/dbraw/zinc/13/20/13/608132013.db2.gz QWPJEHPMJZAXAP-NVXWUHKLSA-N 0 1 398.467 1.447 20 0 GDADMN COc1cccc([C@@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)N(C)C)c1 ZINC000826214446 608216032 /nfs/dbraw/zinc/21/60/32/608216032.db2.gz MDWXNXVKNKKFMT-MRXNPFEDSA-N 0 1 396.455 1.101 20 0 GDADMN C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824857160 608218375 /nfs/dbraw/zinc/21/83/75/608218375.db2.gz BSLJHZLUHMAWRH-KSSFIOAISA-N 0 1 384.484 1.762 20 0 GDADMN CCN1C[C@@H](C)N(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C[C@H]1C ZINC000825445247 608247241 /nfs/dbraw/zinc/24/72/41/608247241.db2.gz YMAFKPMWDXBYRQ-CHWSQXEVSA-N 0 1 395.471 1.189 20 0 GDADMN COc1cccc(OCCN2CCN(c3nc(C)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826217457 608298550 /nfs/dbraw/zinc/29/85/50/608298550.db2.gz MYGQEGFXDURAQH-UHFFFAOYSA-N 0 1 395.467 1.780 20 0 GDADMN COC(=O)[C@@H]1C[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C[C@H]1C 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Cn1cc(C[C@@H]2CCN(Cc3nnc(-c4cccc(-c5nn[nH]n5)c4)o3)C2)cn1 ZINC000822673955 946152331 /nfs/dbraw/zinc/15/23/31/946152331.db2.gz HMDDATZLGBXSGU-ZDUSSCGKSA-N 0 1 391.439 1.715 20 0 GDADMN CC[C@@H](SC)C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571298574 946221080 /nfs/dbraw/zinc/22/10/80/946221080.db2.gz BDAOKYKNELPFNQ-CHWSQXEVSA-N 0 1 390.517 1.403 20 0 GDADMN Cc1cc(N2CC[C@]3(NC(=O)c4cccnc4)CCC[C@@H]23)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298862 946233290 /nfs/dbraw/zinc/23/32/90/946233290.db2.gz LAOXQZHWOVCMCR-YLJYHZDGSA-N 0 1 390.451 1.897 20 0 GDADMN O=C(CCn1cccc1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822987393 946248081 /nfs/dbraw/zinc/24/80/81/946248081.db2.gz XCLJJEWGEHOAJP-UHFFFAOYSA-N 0 1 379.468 1.793 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)COC1CCCC1 ZINC001571299871 946264841 /nfs/dbraw/zinc/26/48/41/946264841.db2.gz PZBCABSCENYPIW-QWHCGFSZSA-N 0 1 390.513 1.966 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)COC1CCCC1 ZINC001571299871 946264850 /nfs/dbraw/zinc/26/48/50/946264850.db2.gz PZBCABSCENYPIW-QWHCGFSZSA-N 0 1 390.513 1.966 20 0 GDADMN CO[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001571299923 946266925 /nfs/dbraw/zinc/26/69/25/946266925.db2.gz RFOQEFGQRFVJQZ-CJNGLKHVSA-N 0 1 390.513 1.824 20 0 GDADMN CO[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001571299923 946266933 /nfs/dbraw/zinc/26/69/33/946266933.db2.gz RFOQEFGQRFVJQZ-CJNGLKHVSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571302344 946299354 /nfs/dbraw/zinc/29/93/54/946299354.db2.gz VJNXIFCPRWYXIE-FRRDWIJNSA-N 0 1 391.426 1.625 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1nc(Cl)cs1 ZINC001571305479 946364075 /nfs/dbraw/zinc/36/40/75/946364075.db2.gz CEJFZFUAMVKPHE-QMMMGPOBSA-N 0 1 391.848 1.165 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571307233 946420752 /nfs/dbraw/zinc/42/07/52/946420752.db2.gz AFUJHDYEDKIIPL-MNOVXSKESA-N 0 1 392.414 1.020 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571308090 946429946 /nfs/dbraw/zinc/42/99/46/946429946.db2.gz MFSMXYDVBSKRBP-MNOVXSKESA-N 0 1 392.414 1.163 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571308090 946429949 /nfs/dbraw/zinc/42/99/49/946429949.db2.gz MFSMXYDVBSKRBP-MNOVXSKESA-N 0 1 392.414 1.163 20 0 GDADMN Cc1cccc(C)c1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571311202 946485372 /nfs/dbraw/zinc/48/53/72/946485372.db2.gz SVSYYZWJGVMHKE-MSOLQXFVSA-N 0 1 392.463 1.459 20 0 GDADMN CCc1cccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H](C)C2)n1 ZINC001571312854 946502861 /nfs/dbraw/zinc/50/28/61/946502861.db2.gz DTSJEXXGMJWJFB-CJNGLKHVSA-N 0 1 392.467 1.604 20 0 GDADMN CN(C)c1ccc(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571313023 946508026 /nfs/dbraw/zinc/50/80/26/946508026.db2.gz HZDBYILOEVXAKV-UHFFFAOYSA-N 0 1 392.467 1.370 20 0 GDADMN CCc1cccnc1C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571313406 946520472 /nfs/dbraw/zinc/52/04/72/946520472.db2.gz ODPWJNTWAWTUSJ-OAHLLOKOSA-N 0 1 392.467 1.878 20 0 GDADMN CN(C)c1ccc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571313749 946532012 /nfs/dbraw/zinc/53/20/12/946532012.db2.gz VMXYAFGKALSVLA-UHFFFAOYSA-N 0 1 392.467 1.190 20 0 GDADMN CN(C(=O)C1C=CC=CC=C1)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571313746 946532431 /nfs/dbraw/zinc/53/24/31/946532431.db2.gz VKIFUMNPRINHDV-UHFFFAOYSA-N 0 1 392.467 1.559 20 0 GDADMN Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc(C)c(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314897 946544842 /nfs/dbraw/zinc/54/48/42/946544842.db2.gz DABSOOCBOSEOSG-DZGCQCFKSA-N 0 1 392.467 1.719 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)nn1 ZINC001571315130 946546830 /nfs/dbraw/zinc/54/68/30/946546830.db2.gz GLHJYGKOWREFFB-KRWDZBQOSA-N 0 1 392.467 1.606 20 0 GDADMN Cc1cccc(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571315628 946555787 /nfs/dbraw/zinc/55/57/87/946555787.db2.gz MMYUQEYFXYXDFK-GJZGRUSLSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cccc([C@@H](C)C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315834 946560834 /nfs/dbraw/zinc/56/08/34/946560834.db2.gz PAMYLVDZKOKGGI-ZBFHGGJFSA-N 0 1 392.467 1.806 20 0 GDADMN Cc1ccc(C)c(CC(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316105 946565850 /nfs/dbraw/zinc/56/58/50/946565850.db2.gz UFPRDMVKTRMIBQ-UHFFFAOYSA-N 0 1 392.467 1.245 20 0 GDADMN Cc1cccc(CC(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316509 946579070 /nfs/dbraw/zinc/57/90/70/946579070.db2.gz FCFZZVOGVFPZKT-HOTGVXAUSA-N 0 1 392.467 1.469 20 0 GDADMN Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571316769 946586786 /nfs/dbraw/zinc/58/67/86/946586786.db2.gz MGGAHYRZDJRBMJ-MRXNPFEDSA-N 0 1 392.467 1.482 20 0 GDADMN CC[C@H](C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317514 946611735 /nfs/dbraw/zinc/61/17/35/946611735.db2.gz KSUPRWNQRQJRRG-QWHCGFSZSA-N 0 1 392.533 1.399 20 0 GDADMN CC(=O)NC[C@H](CC(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1)CC(C)C ZINC001573533229 946711162 /nfs/dbraw/zinc/71/11/62/946711162.db2.gz KVGADLZOHSOZAE-LBPRGKRZSA-N 0 1 384.444 1.870 20 0 GDADMN CC(=O)Nc1ccc(CC(=O)Nc2nc3cc(-c4nn[nH]n4)ccc3[nH]2)cc1 ZINC001573547047 946826561 /nfs/dbraw/zinc/82/65/61/946826561.db2.gz GBMYFADTLBRCPQ-UHFFFAOYSA-N 0 1 376.380 1.883 20 0 GDADMN CC(=O)OCCn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC001573552584 946876670 /nfs/dbraw/zinc/87/66/70/946876670.db2.gz RSKABUXVEDPFST-UHFFFAOYSA-N 0 1 378.186 1.507 20 0 GDADMN CC[C@@H](NCc1cccc(-c2nn[nH]n2)c1F)c1cccc(S(N)(=O)=O)c1 ZINC000825149480 947101556 /nfs/dbraw/zinc/10/15/56/947101556.db2.gz YROKQMZVGNXIQU-OAHLLOKOSA-N 0 1 390.444 1.894 20 0 GDADMN C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001573593188 947364445 /nfs/dbraw/zinc/36/44/45/947364445.db2.gz IRNVTBWXFWVDGN-DGCLKSJQSA-N 0 1 382.428 1.124 20 0 GDADMN C[C@H](C(=O)N(C)CC(C)(C)CN=c1cc[nH]c(-c2nn[nH]n2)n1)c1ccco1 ZINC001573593380 947367840 /nfs/dbraw/zinc/36/78/40/947367840.db2.gz SIRSLMZRGNRLOM-LBPRGKRZSA-N 0 1 384.444 1.372 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573594052 947387627 /nfs/dbraw/zinc/38/76/27/947387627.db2.gz WXFXENXZMCICEW-DGCLKSJQSA-N 0 1 384.469 1.559 20 0 GDADMN C[C@@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573594639 947403620 /nfs/dbraw/zinc/40/36/20/947403620.db2.gz BPPQXYRHWUOBFX-GFCCVEGCSA-N 0 1 386.485 1.807 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573599575 947457270 /nfs/dbraw/zinc/45/72/70/947457270.db2.gz YHUQXISJJKHKFE-APPZFPTMSA-N 0 1 385.881 1.254 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC001573602145 947465992 /nfs/dbraw/zinc/46/59/92/947465992.db2.gz CVDXMJAHMTVFHG-HNNXBMFYSA-N 0 1 379.468 1.956 20 0 GDADMN CC(C)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001573603591 947492704 /nfs/dbraw/zinc/49/27/04/947492704.db2.gz IFSTVGRJQSSHRG-KBPBESRZSA-N 0 1 388.476 1.145 20 0 GDADMN C[C@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)c1ccco1 ZINC001573616155 947617812 /nfs/dbraw/zinc/61/78/12/947617812.db2.gz VOTHRYADVAUIGS-AAEUAGOBSA-N 0 1 382.428 1.124 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccn1 ZINC001573616965 947632480 /nfs/dbraw/zinc/63/24/80/947632480.db2.gz KHMJLRCPNDOCFO-DOMZBBRYSA-N 0 1 384.419 1.154 20 0 GDADMN C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573619892 947674122 /nfs/dbraw/zinc/67/41/22/947674122.db2.gz YQQAZNGJTFWDGE-GFCCVEGCSA-N 0 1 382.428 1.481 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)cc1 ZINC001573359466 947687230 /nfs/dbraw/zinc/68/72/30/947687230.db2.gz VFHQECLRSVBYAK-IUODEOHRSA-N 0 1 376.424 1.554 20 0 GDADMN C/C(=C\C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1)C1CC1 ZINC001573361646 947694622 /nfs/dbraw/zinc/69/46/22/947694622.db2.gz DFTORSLSWXVKKJ-GGAOBQQXSA-N 0 1 381.484 1.997 20 0 GDADMN C[C@H](C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)C1CC1 ZINC001573627155 947720466 /nfs/dbraw/zinc/72/04/66/947720466.db2.gz ZOTAITNLPZITRC-LBPRGKRZSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H](C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)C1CC1 ZINC001573627155 947720481 /nfs/dbraw/zinc/72/04/81/947720481.db2.gz ZOTAITNLPZITRC-LBPRGKRZSA-N 0 1 390.513 1.417 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000327795875 971425442 /nfs/dbraw/zinc/42/54/42/971425442.db2.gz DRJDHNBDVCYMFW-ZDUSSCGKSA-N 0 1 388.873 1.762 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C(C)(C)C ZINC001573628012 947743456 /nfs/dbraw/zinc/74/34/56/947743456.db2.gz FBRBETJILGWGMR-ORAYPTAESA-N 0 1 384.488 1.768 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001573368854 947770633 /nfs/dbraw/zinc/77/06/33/947770633.db2.gz PZSDYBHHZIAQER-LRDDRELGSA-N 0 1 388.447 1.844 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573369543 947774534 /nfs/dbraw/zinc/77/45/34/947774534.db2.gz UKOSQXOLWYKOEK-INIZCTEOSA-N 0 1 385.472 1.400 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573630514 947793378 /nfs/dbraw/zinc/79/33/78/947793378.db2.gz YJQUOLDXSJGASW-QWRGUYRKSA-N 0 1 380.403 1.375 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573373719 947796774 /nfs/dbraw/zinc/79/67/74/947796774.db2.gz KRSMOCAGXHRQCO-INIZCTEOSA-N 0 1 388.447 1.846 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573647049 947881582 /nfs/dbraw/zinc/88/15/82/947881582.db2.gz BBHJWKDGMNWQOQ-IIAWOOMASA-N 0 1 398.515 1.801 20 0 GDADMN CC(=O)CCCC(=O)NCC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573382110 947883932 /nfs/dbraw/zinc/88/39/32/947883932.db2.gz DXXCVVZVTNREHA-HNNXBMFYSA-N 0 1 385.472 1.662 20 0 GDADMN C[C@@H](C(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573652259 947934147 /nfs/dbraw/zinc/93/41/47/947934147.db2.gz BYWYKJOJZFNTKT-DJJJIMSYSA-N 0 1 380.456 1.443 20 0 GDADMN C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)C(C)(F)F ZINC001573658265 948009838 /nfs/dbraw/zinc/00/98/38/948009838.db2.gz ROZBLJXNSYBQBT-SNVBAGLBSA-N 0 1 380.403 1.211 20 0 GDADMN Cc1onc(CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345593 948025742 /nfs/dbraw/zinc/02/57/42/948025742.db2.gz ONMJSUYUJNYDJW-INIZCTEOSA-N 0 1 381.440 1.659 20 0 GDADMN Cc1onc(CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345593 948025751 /nfs/dbraw/zinc/02/57/51/948025751.db2.gz ONMJSUYUJNYDJW-INIZCTEOSA-N 0 1 381.440 1.659 20 0 GDADMN CC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573434284 948213190 /nfs/dbraw/zinc/21/31/90/948213190.db2.gz PQKLQMSWASPEEB-YPMHNXCESA-N 0 1 383.378 1.451 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)c1cnn(C)c1 ZINC001573692260 948257993 /nfs/dbraw/zinc/25/79/93/948257993.db2.gz NPYVSDGMSOETGF-LLVKDONJSA-N 0 1 386.485 1.204 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(C)C ZINC001573693290 948280645 /nfs/dbraw/zinc/28/06/45/948280645.db2.gz SFDXAFLPOPPHFY-YUMQZZPRSA-N 0 1 387.897 1.548 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443295 948306878 /nfs/dbraw/zinc/30/68/78/948306878.db2.gz JNOIZDRPUFGQLL-QGZVFWFLSA-N 0 1 393.451 1.148 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443295 948306885 /nfs/dbraw/zinc/30/68/85/948306885.db2.gz JNOIZDRPUFGQLL-QGZVFWFLSA-N 0 1 393.451 1.148 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826443295 948306890 /nfs/dbraw/zinc/30/68/90/948306890.db2.gz JNOIZDRPUFGQLL-QGZVFWFLSA-N 0 1 393.451 1.148 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826443295 948306896 /nfs/dbraw/zinc/30/68/96/948306896.db2.gz JNOIZDRPUFGQLL-QGZVFWFLSA-N 0 1 393.451 1.148 20 0 GDADMN C[C@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573704197 948368903 /nfs/dbraw/zinc/36/89/03/948368903.db2.gz QKPRBCXVCPLNMR-ZBOXLXRLSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCCCC1 ZINC001573705395 948400610 /nfs/dbraw/zinc/40/06/10/948400610.db2.gz FLDJFGUFFDSUNC-ISZGNANSSA-N 0 1 385.476 1.006 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573714755 948476339 /nfs/dbraw/zinc/47/63/39/948476339.db2.gz JSQVMZXYSPAXFW-MNOVXSKESA-N 0 1 380.403 1.281 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573714989 948480540 /nfs/dbraw/zinc/48/05/40/948480540.db2.gz MMTSQUZJEJMOSM-CABCVRRESA-N 0 1 380.456 1.657 20 0 GDADMN C[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573718921 948521537 /nfs/dbraw/zinc/52/15/37/948521537.db2.gz UXOGNMQAZUBYBA-NWDGAFQWSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573718921 948521541 /nfs/dbraw/zinc/52/15/41/948521541.db2.gz UXOGNMQAZUBYBA-NWDGAFQWSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1)c1c(F)cccc1F ZINC001573732120 948599661 /nfs/dbraw/zinc/59/96/61/948599661.db2.gz LITCMVAPDLJJDH-WDEREUQCSA-N 0 1 387.394 1.682 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573748320 948695040 /nfs/dbraw/zinc/69/50/40/948695040.db2.gz RUGGVKPQCBYTDB-JHJVBQTASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573748320 948695044 /nfs/dbraw/zinc/69/50/44/948695044.db2.gz RUGGVKPQCBYTDB-JHJVBQTASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573752597 948714328 /nfs/dbraw/zinc/71/43/28/948714328.db2.gz OWOKPIWYSDJIKT-IMSYWVGJSA-N 0 1 382.350 1.081 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574416475 948748908 /nfs/dbraw/zinc/74/89/08/948748908.db2.gz VBKUGFOGTLAVBG-GFCCVEGCSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916558 948778843 /nfs/dbraw/zinc/77/88/43/948778843.db2.gz DHKUKDDHDZMFRK-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916558 948778858 /nfs/dbraw/zinc/77/88/58/948778858.db2.gz DHKUKDDHDZMFRK-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001574420237 948796663 /nfs/dbraw/zinc/79/66/63/948796663.db2.gz RMEPDGSJPLPYNS-ZDUSSCGKSA-N 0 1 381.440 1.010 20 0 GDADMN CC(C)c1ccoc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574421098 948813732 /nfs/dbraw/zinc/81/37/32/948813732.db2.gz GQWGGIVJGSQGQE-GFCCVEGCSA-N 0 1 382.428 1.724 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574081112 948817922 /nfs/dbraw/zinc/81/79/22/948817922.db2.gz QBKQKXMTUFAGIQ-FZMZJTMJSA-N 0 1 376.440 1.372 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573761331 948839797 /nfs/dbraw/zinc/83/97/97/948839797.db2.gz HGCNMWIQRVJGGI-OKILXGFUSA-N 0 1 382.472 1.663 20 0 GDADMN CC(F)(F)CC(=O)NC[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001575229532 948852222 /nfs/dbraw/zinc/85/22/22/948852222.db2.gz MBDOQSMDEVLJTM-ZETCQYMHSA-N 0 1 391.835 1.964 20 0 GDADMN CC(C)c1ncc(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)[nH]1 ZINC001574425300 948871541 /nfs/dbraw/zinc/87/15/41/948871541.db2.gz CDPZAMMITRZORR-MRXNPFEDSA-N 0 1 380.456 1.998 20 0 GDADMN CC(C)c1ncc(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)[nH]1 ZINC001574425298 948873499 /nfs/dbraw/zinc/87/34/99/948873499.db2.gz CDPZAMMITRZORR-INIZCTEOSA-N 0 1 380.456 1.998 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573764662 948892659 /nfs/dbraw/zinc/89/26/59/948892659.db2.gz PRNKLDUKLFDZKY-SNVBAGLBSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cc1ncc[nH]1 ZINC001574684863 948893755 /nfs/dbraw/zinc/89/37/55/948893755.db2.gz NZGKELOJHSDYGW-ZETCQYMHSA-N 0 1 381.853 1.249 20 0 GDADMN CC(F)(F)CCC(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575234425 948902548 /nfs/dbraw/zinc/90/25/48/948902548.db2.gz CLMVVBPLDRZWBH-OAHLLOKOSA-N 0 1 380.403 1.211 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)CCC[NH+](C)C ZINC001574685192 948904391 /nfs/dbraw/zinc/90/43/91/948904391.db2.gz SGKDYUHODGREJN-SECBINFHSA-N 0 1 386.913 1.625 20 0 GDADMN C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)CCC[NH+](C)C ZINC001574685192 948904404 /nfs/dbraw/zinc/90/44/04/948904404.db2.gz SGKDYUHODGREJN-SECBINFHSA-N 0 1 386.913 1.625 20 0 GDADMN CC(F)(F)CCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001575234806 948905582 /nfs/dbraw/zinc/90/55/82/948905582.db2.gz FZCAKNFEJBCORB-SNVBAGLBSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cncn1C ZINC001574685425 948908709 /nfs/dbraw/zinc/90/87/09/948908709.db2.gz VWDFTRVFKNDYHT-ZETCQYMHSA-N 0 1 381.853 1.331 20 0 GDADMN CC(F)(F)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575234812 948910575 /nfs/dbraw/zinc/91/05/75/948910575.db2.gz GLJXICRNUHOHKW-TXEJJXNPSA-N 0 1 392.414 1.662 20 0 GDADMN C[C@@H](CNC(=O)CCc1cscn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574921354 948920074 /nfs/dbraw/zinc/92/00/74/948920074.db2.gz VIXXQBWGCYEOKL-NSHDSACASA-N 0 1 389.460 1.689 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C(F)F ZINC001573765878 948926484 /nfs/dbraw/zinc/92/64/84/948926484.db2.gz OVDZBLUSWFIGFL-PHIMTYICSA-N 0 1 377.399 1.448 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573771841 948948016 /nfs/dbraw/zinc/94/80/16/948948016.db2.gz MHLNJJMJMVHYIA-SECBINFHSA-N 0 1 384.366 1.330 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001574090861 948997259 /nfs/dbraw/zinc/99/72/59/948997259.db2.gz JQPGPILABHMDQB-ZIAGYGMSSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)CCO1 ZINC001574091383 949012600 /nfs/dbraw/zinc/01/26/00/949012600.db2.gz KUIORKVGLSBPBX-BBRMVZONSA-N 0 1 385.472 1.196 20 0 GDADMN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573775010 949028286 /nfs/dbraw/zinc/02/82/86/949028286.db2.gz RQBXDKQEYWKCHP-MRVPVSSYSA-N 0 1 392.407 1.083 20 0 GDADMN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573775010 949028306 /nfs/dbraw/zinc/02/83/06/949028306.db2.gz RQBXDKQEYWKCHP-MRVPVSSYSA-N 0 1 392.407 1.083 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574091927 949038742 /nfs/dbraw/zinc/03/87/42/949038742.db2.gz PXBDCXXHQSHSFZ-UONOGXRCSA-N 0 1 385.472 1.001 20 0 GDADMN C[C@H](Oc1ccccn1)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 ZINC001575503038 949040253 /nfs/dbraw/zinc/04/02/53/949040253.db2.gz NGAHTFLBMSEUTC-NSHDSACASA-N 0 1 377.368 1.248 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573779871 949070154 /nfs/dbraw/zinc/07/01/54/949070154.db2.gz OKHQHVZFAOBSPK-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)c1nocc1C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574441886 949083756 /nfs/dbraw/zinc/08/37/56/949083756.db2.gz DOTDPRBSDCLYPJ-GFCCVEGCSA-N 0 1 382.428 1.369 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574093186 949093473 /nfs/dbraw/zinc/09/34/73/949093473.db2.gz UXXVWNHPNJVAIW-DZGGMBSHSA-N 0 1 384.459 1.844 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574442369 949097522 /nfs/dbraw/zinc/09/75/22/949097522.db2.gz NAFLVTXAKPFKCO-LLVKDONJSA-N 0 1 383.416 1.167 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574093654 949114784 /nfs/dbraw/zinc/11/47/84/949114784.db2.gz XEWLWZZFAWVFDW-JLOCXQCDSA-N 0 1 384.459 1.844 20 0 GDADMN C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575250819 949117999 /nfs/dbraw/zinc/11/79/99/949117999.db2.gz HRMSWARKGYHXSC-NXEZZACHSA-N 0 1 383.378 1.721 20 0 GDADMN CC(C)c1occc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446436 949135194 /nfs/dbraw/zinc/13/51/94/949135194.db2.gz PYLPEQMJRHGRNM-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@@H](NC(=O)C12CCC(CC1)C2(C)C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575252074 949155290 /nfs/dbraw/zinc/15/52/90/949155290.db2.gz DRGMQEYRIVBPEP-XSMSDNFPSA-N 0 1 384.488 1.600 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574447508 949160498 /nfs/dbraw/zinc/16/04/98/949160498.db2.gz QNOMXSVHBMJWQB-NSHDSACASA-N 0 1 383.416 1.167 20 0 GDADMN CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574448215 949182254 /nfs/dbraw/zinc/18/22/54/949182254.db2.gz GJMOQSTUBQPDSO-XHDPSFHLSA-N 0 1 382.428 1.368 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574935038 949190579 /nfs/dbraw/zinc/19/05/79/949190579.db2.gz XQZZEXQKWDKAOM-CYBMUJFWSA-N 0 1 386.481 1.944 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574935038 949190596 /nfs/dbraw/zinc/19/05/96/949190596.db2.gz XQZZEXQKWDKAOM-CYBMUJFWSA-N 0 1 386.481 1.944 20 0 GDADMN C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602796063 971560709 /nfs/dbraw/zinc/56/07/09/971560709.db2.gz VOSWWEWEIJMSTQ-LSYCYVAJSA-N 0 1 384.335 1.368 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574698498 949194949 /nfs/dbraw/zinc/19/49/49/949194949.db2.gz LTEIAJSYTKSCBK-KGLIPLIRSA-N 0 1 381.440 1.410 20 0 GDADMN C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254375 949201286 /nfs/dbraw/zinc/20/12/86/949201286.db2.gz VSSULFJEMJMOHJ-ZIAGYGMSSA-N 0 1 380.456 1.261 20 0 GDADMN CC(C)c1oncc1C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574450256 949208932 /nfs/dbraw/zinc/20/89/32/949208932.db2.gz XSAONFYWDKPLHN-UHFFFAOYSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@@H](c1cnccn1)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575516707 949217089 /nfs/dbraw/zinc/21/70/89/949217089.db2.gz QYKXEVBKPZLJSV-STQMWFEESA-N 0 1 381.444 1.282 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575255319 949224567 /nfs/dbraw/zinc/22/45/67/949224567.db2.gz ZEIJDOZPUXBWJV-UONOGXRCSA-N 0 1 386.504 1.831 20 0 GDADMN C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001575517336 949225689 /nfs/dbraw/zinc/22/56/89/949225689.db2.gz VDLXJHHQYXEYTQ-FZMZJTMJSA-N 0 1 382.403 1.382 20 0 GDADMN CC(C)n1cc(C(=O)N(C)CCCN(C)c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574451971 949253567 /nfs/dbraw/zinc/25/35/67/949253567.db2.gz CPQHIQLKFFQLIV-UHFFFAOYSA-N 0 1 384.448 1.033 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccoc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574941720 949318665 /nfs/dbraw/zinc/31/86/65/949318665.db2.gz GOWHMIMWSIQTKB-QMMMGPOBSA-N 0 1 381.849 1.977 20 0 GDADMN C[C@H](CNC(=O)Cc1ccco1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942121 949330880 /nfs/dbraw/zinc/33/08/80/949330880.db2.gz VULUHWAUZMIUDK-MRVPVSSYSA-N 0 1 381.849 1.977 20 0 GDADMN CC(C)n1ccc(CN[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574459356 949351470 /nfs/dbraw/zinc/35/14/70/949351470.db2.gz BTGXKNURKKAGTP-AWEZNQCLSA-N 0 1 383.460 1.367 20 0 GDADMN CC(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574110176 949355895 /nfs/dbraw/zinc/35/58/95/949355895.db2.gz UEKOWFFBWKQELY-JKSUJKDBSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H](c1ncccn1)N1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575525945 949356716 /nfs/dbraw/zinc/35/67/16/949356716.db2.gz ZUFJNKKJQXXMJS-MGPQQGTHSA-N 0 1 395.471 1.434 20 0 GDADMN C[C@@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576154909 949368347 /nfs/dbraw/zinc/36/83/47/949368347.db2.gz SFHVPAGIYWBKFJ-YJYMSZOUSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CNC(=O)Cc1c[nH]cn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574943053 949369213 /nfs/dbraw/zinc/36/92/13/949369213.db2.gz VOKMSPUXEUIDDN-SSDOTTSWSA-N 0 1 381.853 1.107 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704191 949376526 /nfs/dbraw/zinc/37/65/26/949376526.db2.gz APCKLYZKEQYFIU-KBPBESRZSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)n1cccc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574463786 949385008 /nfs/dbraw/zinc/38/50/08/949385008.db2.gz AGXLCUXBSSFOAS-UHFFFAOYSA-N 0 1 381.444 1.226 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575866382 949407224 /nfs/dbraw/zinc/40/72/24/949407224.db2.gz FQJDVIKWKWTZRE-GHMZBOCLSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575866383 949408398 /nfs/dbraw/zinc/40/83/98/949408398.db2.gz FQJDVIKWKWTZRE-MNOVXSKESA-N 0 1 392.414 1.566 20 0 GDADMN C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575265698 949452466 /nfs/dbraw/zinc/45/24/66/949452466.db2.gz ADNKFFMFLXEIDM-NXEZZACHSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266026 949468203 /nfs/dbraw/zinc/46/82/03/949468203.db2.gz WTTRRHLPEJOXJJ-QWHCGFSZSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266026 949468220 /nfs/dbraw/zinc/46/82/20/949468220.db2.gz WTTRRHLPEJOXJJ-QWHCGFSZSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575266026 949468236 /nfs/dbraw/zinc/46/82/36/949468236.db2.gz WTTRRHLPEJOXJJ-QWHCGFSZSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575266026 949468249 /nfs/dbraw/zinc/46/82/49/949468249.db2.gz WTTRRHLPEJOXJJ-QWHCGFSZSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574708192 949485630 /nfs/dbraw/zinc/48/56/30/949485630.db2.gz SSEDFLVHHKEFFG-RISCZKNCSA-N 0 1 376.440 1.144 20 0 GDADMN C[C@H](CNC(=O)Cn1cccn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574949374 949491139 /nfs/dbraw/zinc/49/11/39/949491139.db2.gz VGUAVRXLFDETJE-MRVPVSSYSA-N 0 1 381.853 1.038 20 0 GDADMN C[C@]1(C(=O)N2CC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575537433 949492997 /nfs/dbraw/zinc/49/29/97/949492997.db2.gz UUTGWSFFNODLCY-BEFAXECRSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnco1 ZINC001576158515 949502100 /nfs/dbraw/zinc/50/21/00/949502100.db2.gz TXMJPAOOTNCTOT-SGTLLEGYSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711106 949520294 /nfs/dbraw/zinc/52/02/94/949520294.db2.gz DENHVJOBUIBXMD-ZDUSSCGKSA-N 0 1 377.452 1.357 20 0 GDADMN C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268759 949525896 /nfs/dbraw/zinc/52/58/96/949525896.db2.gz ORVDTTAKZSBBNO-ZBFHGGJFSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576163953 949544318 /nfs/dbraw/zinc/54/43/18/949544318.db2.gz DKQYHXMEYHZSEO-ZIAGYGMSSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164206 949550994 /nfs/dbraw/zinc/55/09/94/949550994.db2.gz FBEAZFRGTNDNQT-ZJUUUORDSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCCCO1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269868 949566470 /nfs/dbraw/zinc/56/64/70/949566470.db2.gz XESYNQUJROMFOU-KBXCAEBGSA-N 0 1 384.484 1.762 20 0 GDADMN C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873172 949572644 /nfs/dbraw/zinc/57/26/44/949572644.db2.gz ODCDXZPDGWFDLW-GXSJLCMTSA-N 0 1 378.387 1.176 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CCCCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576165964 949574128 /nfs/dbraw/zinc/57/41/28/949574128.db2.gz KREGWEYOKOZWQO-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574956703 949589445 /nfs/dbraw/zinc/58/94/45/949589445.db2.gz MCTBDWOUVMEQEE-GMTAPVOTSA-N 0 1 398.393 1.364 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1CCOCC1 ZINC001573811301 949595756 /nfs/dbraw/zinc/59/57/56/949595756.db2.gz JOQGEQKIUZBGHN-OAHLLOKOSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1CCOCC1 ZINC001573811301 949595774 /nfs/dbraw/zinc/59/57/74/949595774.db2.gz JOQGEQKIUZBGHN-OAHLLOKOSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575874153 949606203 /nfs/dbraw/zinc/60/62/03/949606203.db2.gz RSRUEFYEIGZZQI-HIFRSBDPSA-N 0 1 378.440 1.429 20 0 GDADMN C[C@]1(C(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575547219 949622279 /nfs/dbraw/zinc/62/22/79/949622279.db2.gz WDANSLAPUZKYCC-FQEVSTJZSA-N 0 1 384.484 1.718 20 0 GDADMN C[C@@H](CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)n1cccn1 ZINC001574476953 949628700 /nfs/dbraw/zinc/62/87/00/949628700.db2.gz MJTBQZPLJSOFEF-AWEZNQCLSA-N 0 1 383.460 1.394 20 0 GDADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575273262 949659179 /nfs/dbraw/zinc/65/91/79/949659179.db2.gz VCRMHIRDLAWVIU-IUCAKERBSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574958428 949668922 /nfs/dbraw/zinc/66/89/22/949668922.db2.gz JMRQRFALEBKDIM-VHDGCEQUSA-N 0 1 378.440 1.047 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001573816157 949671595 /nfs/dbraw/zinc/67/15/95/949671595.db2.gz PEEZQESALNTYTJ-ZJUUUORDSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574959030 949700922 /nfs/dbraw/zinc/70/09/22/949700922.db2.gz PPHMYLAEBDTCKA-BGZDPUMWSA-N 0 1 383.865 1.461 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573818237 949726959 /nfs/dbraw/zinc/72/69/59/949726959.db2.gz ISINLEFPQHWOHB-LLVKDONJSA-N 0 1 389.851 1.317 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1sccc1F ZINC001573818230 949727560 /nfs/dbraw/zinc/72/75/60/949727560.db2.gz IRKGVNACZMRFCZ-SNVBAGLBSA-N 0 1 390.448 1.536 20 0 GDADMN C[C@H]1CCCN(C(=O)CCCC2CC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171012 949741526 /nfs/dbraw/zinc/74/15/26/949741526.db2.gz OPPPYUHDNLKFQO-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576172320 949800387 /nfs/dbraw/zinc/80/03/87/949800387.db2.gz TZISXXTZNIMBFS-DZGCQCFKSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574484193 949864458 /nfs/dbraw/zinc/86/44/58/949864458.db2.gz FFLOFXNOGJPUDZ-VHSXEESVSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1cncc(-c2nn[nH]n2)n1 ZINC001576178027 949875235 /nfs/dbraw/zinc/87/52/35/949875235.db2.gz AOQOPBJFYNESPU-FZMZJTMJSA-N 0 1 382.432 1.123 20 0 GDADMN C[C@H](CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001574488020 949935198 /nfs/dbraw/zinc/93/51/98/949935198.db2.gz CBRZFAIPOOQTGI-TVZGQMOCSA-N 0 1 382.472 1.378 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575285309 949943105 /nfs/dbraw/zinc/94/31/05/949943105.db2.gz MTLOHAMHSUFQAX-BDAKNGLRSA-N 0 1 386.913 1.622 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575285309 949943122 /nfs/dbraw/zinc/94/31/22/949943122.db2.gz MTLOHAMHSUFQAX-BDAKNGLRSA-N 0 1 386.913 1.622 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285302 949943517 /nfs/dbraw/zinc/94/35/17/949943517.db2.gz MOLQBRQXMWDVDE-KGLIPLIRSA-N 0 1 380.456 1.125 20 0 GDADMN CCC[N@H+](CCS(=O)(=O)CC(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001589674265 949973367 /nfs/dbraw/zinc/97/33/67/949973367.db2.gz IZBHJQHNGOPSFB-ZDUSSCGKSA-N 0 1 378.491 1.207 20 0 GDADMN CCC[N@@H+](CCS(=O)(=O)CC(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001589674265 949973378 /nfs/dbraw/zinc/97/33/78/949973378.db2.gz IZBHJQHNGOPSFB-ZDUSSCGKSA-N 0 1 378.491 1.207 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001576181250 949992432 /nfs/dbraw/zinc/99/24/32/949992432.db2.gz LHTGFKAKBHGFMN-SMDDNHRTSA-N 0 1 382.432 1.123 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cccc(C2CC2)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574729542 950023069 /nfs/dbraw/zinc/02/30/69/950023069.db2.gz OFQHFIDKXZGRKV-CYBMUJFWSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001574491167 950025552 /nfs/dbraw/zinc/02/55/52/950025552.db2.gz AIQKWJQZGRMOPO-CYBMUJFWSA-N 0 1 381.444 1.195 20 0 GDADMN CC(C)(C)CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573836255 950079813 /nfs/dbraw/zinc/07/98/13/950079813.db2.gz IGYRKNDHMNHTMM-KRWDZBQOSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)(C)CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573836255 950079836 /nfs/dbraw/zinc/07/98/36/950079836.db2.gz IGYRKNDHMNHTMM-KRWDZBQOSA-N 0 1 378.502 1.417 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575894700 950105647 /nfs/dbraw/zinc/10/56/47/950105647.db2.gz FZQBIXABAXRFIO-CZUORRHYSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cc(F)ccc1Cl ZINC001574977593 950123032 /nfs/dbraw/zinc/12/30/32/950123032.db2.gz MBIVVPBLCFFUJK-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575897683 950144589 /nfs/dbraw/zinc/14/45/89/950144589.db2.gz QBGCEPFIOCPECT-CXAGYDPISA-N 0 1 380.456 1.383 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cc(O)ccc1Cl ZINC001574979314 950152660 /nfs/dbraw/zinc/15/26/60/950152660.db2.gz XQEBOFQKWHNLBI-VIFPVBQESA-N 0 1 375.820 1.462 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575898225 950152875 /nfs/dbraw/zinc/15/28/75/950152875.db2.gz RXSIFLDBERNCII-GUYCJALGSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H](CC(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574494662 950174881 /nfs/dbraw/zinc/17/48/81/950174881.db2.gz MLHFMHOQRRRXTE-KGLIPLIRSA-N 0 1 380.456 1.791 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574494786 950182622 /nfs/dbraw/zinc/18/26/22/950182622.db2.gz OKLSINBXMWCWPY-DGCLKSJQSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ncccn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575900130 950189902 /nfs/dbraw/zinc/18/99/02/950189902.db2.gz CJCBOSRUICQLSZ-XJKSGUPXSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2csnn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575900074 950191853 /nfs/dbraw/zinc/19/18/53/950191853.db2.gz BRKBYMHTQSZVBP-SMDDNHRTSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575588009 950243766 /nfs/dbraw/zinc/24/37/66/950243766.db2.gz PDGSTWURHZPYTK-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575588009 950243788 /nfs/dbraw/zinc/24/37/88/950243788.db2.gz PDGSTWURHZPYTK-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575588009 950243809 /nfs/dbraw/zinc/24/38/09/950243809.db2.gz PDGSTWURHZPYTK-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575588009 950243827 /nfs/dbraw/zinc/24/38/27/950243827.db2.gz PDGSTWURHZPYTK-UGSOOPFHSA-N 0 1 390.513 1.683 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157965 950262185 /nfs/dbraw/zinc/26/21/85/950262185.db2.gz LZMVBXWSRCCQFB-GFCCVEGCSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574984234 950263581 /nfs/dbraw/zinc/26/35/81/950263581.db2.gz WUBCHZFFSYXBMW-SNVBAGLBSA-N 0 1 388.501 1.857 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574984234 950263603 /nfs/dbraw/zinc/26/36/03/950263603.db2.gz WUBCHZFFSYXBMW-SNVBAGLBSA-N 0 1 388.501 1.857 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)n1cccc1 ZINC001574158040 950266373 /nfs/dbraw/zinc/26/63/73/950266373.db2.gz NDIGEAIXLZGZGP-LSDHHAIUSA-N 0 1 382.472 1.689 20 0 GDADMN CC1(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575592077 950276599 /nfs/dbraw/zinc/27/65/99/950276599.db2.gz BXRDYCPKEUVXFM-CQSZACIVSA-N 0 1 384.488 1.960 20 0 GDADMN C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576193362 950298573 /nfs/dbraw/zinc/29/85/73/950298573.db2.gz TZVUTBIXCPNPOI-WCQYABFASA-N 0 1 386.485 1.539 20 0 GDADMN C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576193362 950298591 /nfs/dbraw/zinc/29/85/91/950298591.db2.gz TZVUTBIXCPNPOI-WCQYABFASA-N 0 1 386.485 1.539 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccoc1Cl ZINC001574159632 950309618 /nfs/dbraw/zinc/30/96/18/950309618.db2.gz XBOMRNLASWCERX-JTQLQIEISA-N 0 1 390.835 1.582 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(F)CCOCC1 ZINC001574159621 950311760 /nfs/dbraw/zinc/31/17/60/950311760.db2.gz WTIHTSCEFWPWPH-ZDUSSCGKSA-N 0 1 391.451 1.145 20 0 GDADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159717 950317771 /nfs/dbraw/zinc/31/77/71/950317771.db2.gz YHDKURXZDNRAID-CJNGLKHVSA-N 0 1 389.508 1.186 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906883 950321453 /nfs/dbraw/zinc/32/14/53/950321453.db2.gz KILNMOIVEIHTOL-ZWNOBZJWSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906883 950321476 /nfs/dbraw/zinc/32/14/76/950321476.db2.gz KILNMOIVEIHTOL-ZWNOBZJWSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574501277 950328156 /nfs/dbraw/zinc/32/81/56/950328156.db2.gz CKQSECHUXCSXSO-VHSXEESVSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574502106 950358483 /nfs/dbraw/zinc/35/84/83/950358483.db2.gz IWLYYXHLAPPTAD-ZFWWWQNUSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnsn1 ZINC001575908600 950375026 /nfs/dbraw/zinc/37/50/26/950375026.db2.gz VPTHKFNMBWXHKV-PSASIEDQSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cnsn1 ZINC001575908600 950375042 /nfs/dbraw/zinc/37/50/42/950375042.db2.gz VPTHKFNMBWXHKV-PSASIEDQSA-N 0 1 376.471 1.173 20 0 GDADMN CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162756 950399272 /nfs/dbraw/zinc/39/92/72/950399272.db2.gz IOAYDGBNGUIRFJ-CQSZACIVSA-N 0 1 384.488 1.910 20 0 GDADMN CC1CC[NH+](CC(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001576198451 950408427 /nfs/dbraw/zinc/40/84/27/950408427.db2.gz SXPYCBBSHAPTTF-INIZCTEOSA-N 0 1 384.488 1.397 20 0 GDADMN CC(C)CC1(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCC1 ZINC001574165862 950454695 /nfs/dbraw/zinc/45/46/95/950454695.db2.gz KVUSNLYTUNPGHF-UHFFFAOYSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204303 950458057 /nfs/dbraw/zinc/45/80/57/950458057.db2.gz NNXWXOLKNKAODG-STQMWFEESA-N 0 1 375.452 1.654 20 0 GDADMN C[C@@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576204303 950458071 /nfs/dbraw/zinc/45/80/71/950458071.db2.gz NNXWXOLKNKAODG-STQMWFEESA-N 0 1 375.452 1.654 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574509229 950498662 /nfs/dbraw/zinc/49/86/62/950498662.db2.gz TZIINESESDMTHQ-AVGNSLFASA-N 0 1 382.428 1.172 20 0 GDADMN C[C@H](CC(=O)NCC[C@H](C)Nc1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574509276 950503702 /nfs/dbraw/zinc/50/37/02/950503702.db2.gz PLKGXSAUGUEEGJ-KGLIPLIRSA-N 0 1 380.456 1.579 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573866723 950510069 /nfs/dbraw/zinc/51/00/69/950510069.db2.gz KFRQKWNFZMWRKE-CQSZACIVSA-N 0 1 376.436 1.511 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001576205423 950518903 /nfs/dbraw/zinc/51/89/03/950518903.db2.gz ITGUSMGWFIOKIG-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576205423 950518952 /nfs/dbraw/zinc/51/89/52/950518952.db2.gz ITGUSMGWFIOKIG-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576205423 950518971 /nfs/dbraw/zinc/51/89/71/950518971.db2.gz ITGUSMGWFIOKIG-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575615586 950570915 /nfs/dbraw/zinc/57/09/15/950570915.db2.gz BXDKGXBALXXMJA-UHFFFAOYSA-N 0 1 384.488 1.458 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575615624 950572660 /nfs/dbraw/zinc/57/26/60/950572660.db2.gz DPCVROGSADRONY-LBPRGKRZSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575002324 950659213 /nfs/dbraw/zinc/65/92/13/950659213.db2.gz SCSNHFOXYAXVHO-LLVKDONJSA-N 0 1 383.431 1.731 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)c[nH]1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575003165 950671319 /nfs/dbraw/zinc/67/13/19/950671319.db2.gz YLPKFBNNQPMGKW-ZCFIWIBFSA-N 0 1 384.828 1.922 20 0 GDADMN CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1 ZINC001574176103 950671740 /nfs/dbraw/zinc/67/17/40/950671740.db2.gz UHCMSCQCQFAASM-SOUVJXGZSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](CN(C)C(=O)c1cn(C)cn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574760589 950672419 /nfs/dbraw/zinc/67/24/19/950672419.db2.gz JORLISYKUKVJOA-SSDOTTSWSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccccc1C1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760711 950677649 /nfs/dbraw/zinc/67/76/49/950677649.db2.gz YIWJXRJBLDDTML-ZDUSSCGKSA-N 0 1 392.467 1.919 20 0 GDADMN CC(C)CCC(=O)NCCN1CCC(Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001574178831 950687641 /nfs/dbraw/zinc/68/76/41/950687641.db2.gz AORINXJCTIPIKN-UHFFFAOYSA-N 0 1 386.504 1.690 20 0 GDADMN CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]21 ZINC001575626456 950712426 /nfs/dbraw/zinc/71/24/26/950712426.db2.gz ZPABQARPNOFGEE-APHBMKBZSA-N 0 1 382.472 1.566 20 0 GDADMN CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]21 ZINC001575626460 950715460 /nfs/dbraw/zinc/71/54/60/950715460.db2.gz ZPABQARPNOFGEE-MAZHCROVSA-N 0 1 382.472 1.566 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575926673 950717037 /nfs/dbraw/zinc/71/70/37/950717037.db2.gz YCDPIULLNXPKBV-MLGOLLRUSA-N 0 1 390.451 1.282 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575927723 950750626 /nfs/dbraw/zinc/75/06/26/950750626.db2.gz SWRSPXRDADIROK-MFKMUULPSA-N 0 1 380.412 1.264 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575927711 950750907 /nfs/dbraw/zinc/75/09/07/950750907.db2.gz SLODXOHQCBSRTM-MLGOLLRUSA-N 0 1 381.415 1.467 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cscn1 ZINC001575927856 950760206 /nfs/dbraw/zinc/76/02/06/950760206.db2.gz VHMBBJMHEXUHSS-SMDDNHRTSA-N 0 1 384.469 1.174 20 0 GDADMN C[C@@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1ccncc1-c1nn[nH]n1 ZINC001574765207 950777536 /nfs/dbraw/zinc/77/75/36/950777536.db2.gz GOVKHEYWFRSUKH-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cncn1C ZINC001574524499 950863259 /nfs/dbraw/zinc/86/32/59/950863259.db2.gz XKGJURKMUSVXKU-VXGBXAGGSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cncn1C ZINC001574524499 950863269 /nfs/dbraw/zinc/86/32/69/950863269.db2.gz XKGJURKMUSVXKU-VXGBXAGGSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](CN(C)C[C@H](O)c1ccccc1F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767743 950864653 /nfs/dbraw/zinc/86/46/53/950864653.db2.gz QBNPYRVQDSWZGG-BZNIZROVSA-N 0 1 387.419 1.118 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576222203 950866990 /nfs/dbraw/zinc/86/69/90/950866990.db2.gz XURGPGLJPNSDAG-CABZTGNLSA-N 0 1 381.362 1.285 20 0 GDADMN CC1(C)C[C@@H](NC(=O)c2ccco2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575640683 950902422 /nfs/dbraw/zinc/90/24/22/950902422.db2.gz JQBJJBPRJHAMCD-LBPRGKRZSA-N 0 1 382.428 1.675 20 0 GDADMN CC(C)CCCC(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574189940 950903254 /nfs/dbraw/zinc/90/32/54/950903254.db2.gz TUFWNOVEABHVES-SECBINFHSA-N 0 1 387.897 1.692 20 0 GDADMN CC(C)CCCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O ZINC001574190613 950915618 /nfs/dbraw/zinc/91/56/18/950915618.db2.gz ZGZGFEDRVXNWKJ-HUUCEWRRSA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1nn(C)cc1Cl ZINC001574529851 950963496 /nfs/dbraw/zinc/96/34/96/950963496.db2.gz AQODNUJPBCGPKR-ZJUUUORDSA-N 0 1 391.867 1.268 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1CCOCC1 ZINC001574774424 951000931 /nfs/dbraw/zinc/00/09/31/951000931.db2.gz CHHALYPANDJVEK-GFCCVEGCSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575021563 951064056 /nfs/dbraw/zinc/06/40/56/951064056.db2.gz DBZPOWSJGKBCME-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575023257 951076783 /nfs/dbraw/zinc/07/67/83/951076783.db2.gz LOPITPLWHKODLF-LBPRGKRZSA-N 0 1 378.440 1.789 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c[nH]nc21)CNc1ccncc1-c1nn[nH]n1 ZINC001575027972 951165695 /nfs/dbraw/zinc/16/56/95/951165695.db2.gz KDKXREQUFBCORR-LLVKDONJSA-N 0 1 377.412 1.038 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575028201 951170869 /nfs/dbraw/zinc/17/08/69/951170869.db2.gz MDCISCJZEZMTHZ-GFCCVEGCSA-N 0 1 379.424 1.451 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028396 951172157 /nfs/dbraw/zinc/17/21/57/951172157.db2.gz WGLFFVXZIHVCSU-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN C[C@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575033952 951234320 /nfs/dbraw/zinc/23/43/20/951234320.db2.gz FKGSADWNRIXEFP-LLVKDONJSA-N 0 1 386.485 1.758 20 0 GDADMN C[C@H](CNC(=O)c1ccnn1C1CCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575033952 951234326 /nfs/dbraw/zinc/23/43/26/951234326.db2.gz FKGSADWNRIXEFP-LLVKDONJSA-N 0 1 386.485 1.758 20 0 GDADMN C[C@@H](CNC(=O)c1ccn(C)c1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575035807 951283454 /nfs/dbraw/zinc/28/34/54/951283454.db2.gz LZAZRJYZQXDDPX-QMMMGPOBSA-N 0 1 380.865 1.793 20 0 GDADMN C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575036048 951289683 /nfs/dbraw/zinc/28/96/83/951289683.db2.gz PJEROWMPIJQGGJ-LBPRGKRZSA-N 0 1 378.440 1.434 20 0 GDADMN COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390459042 951380056 /nfs/dbraw/zinc/38/00/56/951380056.db2.gz BHHMUKNEYKPQAE-YLJYHZDGSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2n1CCC2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043479 951391906 /nfs/dbraw/zinc/39/19/06/951391906.db2.gz KCTOZGKVUKCYLY-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](CNC(=O)c1cnc2[nH]ccc2c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575044219 951409761 /nfs/dbraw/zinc/40/97/61/951409761.db2.gz QCZNBQJYRMUFPU-LLVKDONJSA-N 0 1 377.412 1.344 20 0 GDADMN C[C@H](CNC(=O)c1cnccn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575045776 951433430 /nfs/dbraw/zinc/43/34/30/951433430.db2.gz HLBFHPPMOMUWKQ-SSDOTTSWSA-N 0 1 379.837 1.021 20 0 GDADMN C[C@H](CNC(=O)c1cncn1C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575047141 951451774 /nfs/dbraw/zinc/45/17/74/951451774.db2.gz XQUVOGPASDOEGQ-SSDOTTSWSA-N 0 1 381.853 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575057913 951533568 /nfs/dbraw/zinc/53/35/68/951533568.db2.gz SKWKDJNHLUHEEM-VIFPVBQESA-N 0 1 387.473 1.063 20 0 GDADMN C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001575065271 951581654 /nfs/dbraw/zinc/58/16/54/951581654.db2.gz BBITZCDBFBJIBR-LLVKDONJSA-N 0 1 384.444 1.447 20 0 GDADMN C[C@@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067584 951617165 /nfs/dbraw/zinc/61/71/65/951617165.db2.gz VZPRMXFMHZICFP-JTQLQIEISA-N 0 1 388.453 1.502 20 0 GDADMN C[C@@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067584 951617171 /nfs/dbraw/zinc/61/71/71/951617171.db2.gz VZPRMXFMHZICFP-JTQLQIEISA-N 0 1 388.453 1.502 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnsn1 ZINC001575089028 951745767 /nfs/dbraw/zinc/74/57/67/951745767.db2.gz CPCCJHBLKGIXEE-SECBINFHSA-N 0 1 376.421 1.108 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575089527 951750880 /nfs/dbraw/zinc/75/08/80/951750880.db2.gz GJYTXHPBUFUOSS-RDTXWAMCSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575089527 951750888 /nfs/dbraw/zinc/75/08/88/951750888.db2.gz GJYTXHPBUFUOSS-RDTXWAMCSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cncc(F)c1 ZINC001575090691 951764121 /nfs/dbraw/zinc/76/41/21/951764121.db2.gz NGYHGTVIFPGBJE-NSHDSACASA-N 0 1 387.394 1.790 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575091953 951787482 /nfs/dbraw/zinc/78/74/82/951787482.db2.gz ZPZBABBZQDCOJT-GOSISDBHSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575091953 951787491 /nfs/dbraw/zinc/78/74/91/951787491.db2.gz ZPZBABBZQDCOJT-GOSISDBHSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cncnc1 ZINC001575098981 951827319 /nfs/dbraw/zinc/82/73/19/951827319.db2.gz GRBUKAYDGCCQLZ-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cncnc1 ZINC001575098981 951827320 /nfs/dbraw/zinc/82/73/20/951827320.db2.gz GRBUKAYDGCCQLZ-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccncc1F ZINC001575101970 951865602 /nfs/dbraw/zinc/86/56/02/951865602.db2.gz KDPCVYYNJJTOSM-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccncc1F ZINC001575101970 951865611 /nfs/dbraw/zinc/86/56/11/951865611.db2.gz KDPCVYYNJJTOSM-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNCc1nccn1C(F)F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575116729 951972551 /nfs/dbraw/zinc/97/25/51/951972551.db2.gz GWGSWFQGFRQOQN-SECBINFHSA-N 0 1 379.375 1.037 20 0 GDADMN O=C([O-])c1ccnc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000382152827 971800598 /nfs/dbraw/zinc/80/05/98/971800598.db2.gz JNKHYAPZGOKBNV-HNNXBMFYSA-N 0 1 375.450 1.580 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575142227 952146960 /nfs/dbraw/zinc/14/69/60/952146960.db2.gz KMBAYNORZBQIDG-BBRMVZONSA-N 0 1 392.467 1.143 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C(F)F)cc1 ZINC001575143875 952159375 /nfs/dbraw/zinc/15/93/75/952159375.db2.gz DIJCPRJCGQRUFY-JTQLQIEISA-N 0 1 388.382 1.589 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575144193 952162762 /nfs/dbraw/zinc/16/27/62/952162762.db2.gz UQQDWBFZMYDBGH-QGZVFWFLSA-N 0 1 384.469 1.080 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(F)ccc1Cl ZINC001575144826 952171996 /nfs/dbraw/zinc/17/19/96/952171996.db2.gz MLPGOIKGVUIHFO-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC1 ZINC001575145486 952184071 /nfs/dbraw/zinc/18/40/71/952184071.db2.gz YJFSWDULVLQFGU-YGVKSYSMSA-N 0 1 393.495 1.983 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575146197 952191019 /nfs/dbraw/zinc/19/10/19/952191019.db2.gz HURNRYQFZMDVFE-LBPRGKRZSA-N 0 1 381.440 1.728 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575147171 952198949 /nfs/dbraw/zinc/19/89/49/952198949.db2.gz RLCLWGSHLUROJP-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575147381 952200034 /nfs/dbraw/zinc/20/00/34/952200034.db2.gz SEIDRFJDJDRUJO-LLVKDONJSA-N 0 1 383.460 1.277 20 0 GDADMN C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575153052 952204787 /nfs/dbraw/zinc/20/47/87/952204787.db2.gz CHLKJKPSUJBNMS-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575153052 952204793 /nfs/dbraw/zinc/20/47/93/952204793.db2.gz CHLKJKPSUJBNMS-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157654 952266537 /nfs/dbraw/zinc/26/65/37/952266537.db2.gz OBAAWMFQKGMPEB-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157654 952266539 /nfs/dbraw/zinc/26/65/39/952266539.db2.gz OBAAWMFQKGMPEB-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157654 952266543 /nfs/dbraw/zinc/26/65/43/952266543.db2.gz OBAAWMFQKGMPEB-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157654 952266546 /nfs/dbraw/zinc/26/65/46/952266546.db2.gz OBAAWMFQKGMPEB-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157653 952266831 /nfs/dbraw/zinc/26/68/31/952266831.db2.gz OBAAWMFQKGMPEB-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157653 952266836 /nfs/dbraw/zinc/26/68/36/952266836.db2.gz OBAAWMFQKGMPEB-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157653 952266840 /nfs/dbraw/zinc/26/68/40/952266840.db2.gz OBAAWMFQKGMPEB-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157653 952266844 /nfs/dbraw/zinc/26/68/44/952266844.db2.gz OBAAWMFQKGMPEB-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575165325 952305769 /nfs/dbraw/zinc/30/57/69/952305769.db2.gz NJZRSRNSMKZPOL-BDAKNGLRSA-N 0 1 385.881 1.805 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnccn1 ZINC001575166705 952329076 /nfs/dbraw/zinc/32/90/76/952329076.db2.gz XNKCDROWYWALNM-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@](CO)(NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1)c1cccc(O)c1 ZINC001575176471 952394696 /nfs/dbraw/zinc/39/46/96/952394696.db2.gz HMTLQLLLCHHFQI-CQSZACIVSA-N 0 1 395.832 1.711 20 0 GDADMN C[C@@H](COCC(=O)NCCNc1ccncc1-c1nn[nH]n1)c1ccccc1 ZINC001575178920 952408908 /nfs/dbraw/zinc/40/89/08/952408908.db2.gz QMUKIARYQYCKOX-AWEZNQCLSA-N 0 1 381.440 1.032 20 0 GDADMN Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)C2(C(F)F)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571114536 952455862 /nfs/dbraw/zinc/45/58/62/952455862.db2.gz KCXKXOZGUXHVND-QWRGUYRKSA-N 0 1 375.383 1.405 20 0 GDADMN O=C([C@@H]1CCC1(F)F)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571115065 952464033 /nfs/dbraw/zinc/46/40/33/952464033.db2.gz RHRIESPTIOOGTJ-LOWVWBTDSA-N 0 1 375.383 1.202 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575195861 952472626 /nfs/dbraw/zinc/47/26/26/952472626.db2.gz CGKKJDFQUDIVJQ-KPZWWZAWSA-N 0 1 382.428 1.214 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)cc1 ZINC001571119532 952492492 /nfs/dbraw/zinc/49/24/92/952492492.db2.gz CMVGGDXELVYKQM-GASCZTMLSA-N 0 1 376.424 1.174 20 0 GDADMN O=C(N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2)c1cccnc1 ZINC001571120902 952511238 /nfs/dbraw/zinc/51/12/38/952511238.db2.gz SXWKDYISQZLEEJ-INIZCTEOSA-N 0 1 376.424 1.446 20 0 GDADMN O=C(c1ccnnc1)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571123120 952529749 /nfs/dbraw/zinc/52/97/49/952529749.db2.gz POJHYTZXZRAQBO-IAGOWNOFSA-N 0 1 376.424 1.003 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C(C)(F)F ZINC001571124214 952535449 /nfs/dbraw/zinc/53/54/49/952535449.db2.gz BIPBAEGNJUGOGD-SDDRHHMPSA-N 0 1 377.399 1.448 20 0 GDADMN CC(F)(F)C(=O)NCC1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001575211759 952549523 /nfs/dbraw/zinc/54/95/23/952549523.db2.gz YNFYXMPTDVVZNU-UHFFFAOYSA-N 0 1 382.390 1.989 20 0 GDADMN O=S(=O)(c1ccsc1-c1nn[nH]n1)N1CCCC[C@H]1c1ncccn1 ZINC001571127854 952560593 /nfs/dbraw/zinc/56/05/93/952560593.db2.gz KRVSIYLLMCWFMO-JTQLQIEISA-N 0 1 377.455 1.634 20 0 GDADMN O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccccn1 ZINC001571127897 952562238 /nfs/dbraw/zinc/56/22/38/952562238.db2.gz MCYPBJNNHANHOT-MRXNPFEDSA-N 0 1 377.452 1.904 20 0 GDADMN Cc1cccnc1C(=O)N(C)[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128042 952562672 /nfs/dbraw/zinc/56/26/72/952562672.db2.gz NZHJJEKCKNAOCK-KRWDZBQOSA-N 0 1 377.452 1.917 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575214427 952564022 /nfs/dbraw/zinc/56/40/22/952564022.db2.gz KQGLGCFCDSWGCJ-LLVKDONJSA-N 0 1 379.415 1.886 20 0 GDADMN Cc1cccc(C(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134376 952589936 /nfs/dbraw/zinc/58/99/36/952589936.db2.gz HVSHEOVYUOWKKP-GJZGRUSLSA-N 0 1 378.440 1.540 20 0 GDADMN Cc1cnc(C(=O)N(C)[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571135211 952600973 /nfs/dbraw/zinc/60/09/73/952600973.db2.gz TUTUKDNZYKALMT-MRXNPFEDSA-N 0 1 378.440 1.312 20 0 GDADMN Cc1cnc(C(=O)N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)c(C)c1 ZINC001571135193 952601002 /nfs/dbraw/zinc/60/10/02/952601002.db2.gz SVMXFCVWBFOUJD-UHFFFAOYSA-N 0 1 378.440 1.544 20 0 GDADMN Cc1c[nH]cc1C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571146703 952652609 /nfs/dbraw/zinc/65/26/09/952652609.db2.gz AUUMALGXRHGDSU-ACJLOTCBSA-N 0 1 379.428 1.225 20 0 GDADMN O=C([C@H]1C[C@@H]1C(F)F)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571152059 952680917 /nfs/dbraw/zinc/68/09/17/952680917.db2.gz CDDGOONLLNHZAE-AGIUHOORSA-N 0 1 380.374 1.598 20 0 GDADMN O=C(c1ccn[nH]1)N1CCC[C@@H]1CNc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001571152987 952684896 /nfs/dbraw/zinc/68/48/96/952684896.db2.gz MWICIBATWPKWAC-SSDOTTSWSA-N 0 1 379.837 1.416 20 0 GDADMN O=C(c1cnc(C2CC2)o1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571160087 952723824 /nfs/dbraw/zinc/72/38/24/952723824.db2.gz DJGSQZCZMFSIEX-GFCCVEGCSA-N 0 1 380.412 1.266 20 0 GDADMN O=C(Cc1ccoc1)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571160238 952724353 /nfs/dbraw/zinc/72/43/53/952724353.db2.gz FPUYOTMYELYCIK-KBPBESRZSA-N 0 1 380.412 1.062 20 0 GDADMN O=C(c1ccoc1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571161219 952730835 /nfs/dbraw/zinc/73/08/35/952730835.db2.gz RJZDRARSPFQBBV-OCCSQVGLSA-N 0 1 380.412 1.381 20 0 GDADMN CCc1[nH]ccc1C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571165550 952752212 /nfs/dbraw/zinc/75/22/12/952752212.db2.gz DKZGSAPLCGVTCD-ZDUSSCGKSA-N 0 1 380.456 1.941 20 0 GDADMN CCn1ccc(CC(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571169449 952773748 /nfs/dbraw/zinc/77/37/48/952773748.db2.gz CVUZCBHUQVVJDM-QGZVFWFLSA-N 0 1 380.456 1.016 20 0 GDADMN Cc1cc(N(C)C2CCN(C(=O)c3cccn3C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169800 952779328 /nfs/dbraw/zinc/77/93/28/952779328.db2.gz NVPSEMCVLQHICY-UHFFFAOYSA-N 0 1 380.456 1.650 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1CNC(=O)c1cn(C)cn1 ZINC001571169925 952780352 /nfs/dbraw/zinc/78/03/52/952780352.db2.gz QXGLPKPTHVSQQS-UKRRQHHQSA-N 0 1 380.456 1.098 20 0 GDADMN CCn1cccc1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571169915 952780996 /nfs/dbraw/zinc/78/09/96/952780996.db2.gz QJGVGKTZSNSMAB-AWEZNQCLSA-N 0 1 380.456 1.530 20 0 GDADMN Cn1cnc(C(=O)NC[C@@H]2CCCCN2Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571172033 952800399 /nfs/dbraw/zinc/80/03/99/952800399.db2.gz KWLRZYFALCUUKP-INIZCTEOSA-N 0 1 380.456 1.385 20 0 GDADMN C[C@@H](NC(=O)c1ccncc1F)C1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571178304 952838299 /nfs/dbraw/zinc/83/82/99/952838299.db2.gz FQPANKAIYDDUAW-GFCCVEGCSA-N 0 1 381.415 1.651 20 0 GDADMN Cc1cccc([C@H](C)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)c1 ZINC001571181744 952864102 /nfs/dbraw/zinc/86/41/02/952864102.db2.gz XRXLAXDJKVZVQT-VUCTXSBTSA-N 0 1 381.440 1.039 20 0 GDADMN CC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)CC[C@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001571184366 952891688 /nfs/dbraw/zinc/89/16/88/952891688.db2.gz XOMUMCCJWJYIBS-TZMCWYRMSA-N 0 1 381.444 1.646 20 0 GDADMN Cc1[nH]nc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1C ZINC001571186304 952906898 /nfs/dbraw/zinc/90/68/98/952906898.db2.gz WDECDGBBZCVJKT-OCCSQVGLSA-N 0 1 381.444 1.034 20 0 GDADMN Cc1cc(N2CCN(C(=O)c3ccn(C(C)C)n3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187950 952911523 /nfs/dbraw/zinc/91/15/23/952911523.db2.gz DHKDOYKJWBTEIC-UHFFFAOYSA-N 0 1 381.444 1.310 20 0 GDADMN Cc1cnc([C@H](C)N2CC[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001571188593 952916985 /nfs/dbraw/zinc/91/69/85/952916985.db2.gz LMWIVAFVEUQYJK-QWHCGFSZSA-N 0 1 381.444 1.106 20 0 GDADMN Cc1nc(N[C@@H]2C[C@@H](C)N(C(=O)CCc3cnc[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189130 952924870 /nfs/dbraw/zinc/92/48/70/952924870.db2.gz MVIJJXGRKKPZCX-BXUZGUMPSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1cnc(CN[C@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 ZINC001571189524 952930912 /nfs/dbraw/zinc/93/09/12/952930912.db2.gz WUILQGDCGIKLBM-KBPBESRZSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001571195697 952977263 /nfs/dbraw/zinc/97/72/63/952977263.db2.gz DQUPWOCYMPHHSI-NEPJUHHUSA-N 0 1 382.403 1.180 20 0 GDADMN Cc1cc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)ccc1F ZINC001571196470 952981567 /nfs/dbraw/zinc/98/15/67/952981567.db2.gz KXPWLMGJKAJTPR-UHFFFAOYSA-N 0 1 382.403 1.243 20 0 GDADMN Cc1cc(N2CCC[C@H]2CNC(=O)c2ccncc2F)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196741 952983748 /nfs/dbraw/zinc/98/37/48/952983748.db2.gz NBCRMDWPIABYMO-LBPRGKRZSA-N 0 1 382.403 1.503 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)c3ncccc3F)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196928 952985242 /nfs/dbraw/zinc/98/52/42/952985242.db2.gz QAHPPKUOSZYPMO-MEBBXXQBSA-N 0 1 382.403 1.099 20 0 GDADMN CN(C(=O)[C@@H](F)c1ccccc1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571196965 952986141 /nfs/dbraw/zinc/98/61/41/952986141.db2.gz QWRVJAGEBZNYSZ-PIMMBPRGSA-N 0 1 382.403 1.191 20 0 GDADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2cocc2C)CC1 ZINC001571200783 953011825 /nfs/dbraw/zinc/01/18/25/953011825.db2.gz LTHUHVBDZNUCJM-UHFFFAOYSA-N 0 1 382.428 1.477 20 0 GDADMN O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)c1cccs1 ZINC001571210237 953071212 /nfs/dbraw/zinc/07/12/12/953071212.db2.gz PFTGZLMSZRDQKZ-SJCJKPOMSA-N 0 1 382.453 1.650 20 0 GDADMN C[C@H]1CC[C@H](NC(=O)C(C2CC2)C2CC2)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571211734 953080307 /nfs/dbraw/zinc/08/03/07/953080307.db2.gz DPZUOJQLTISOGR-FZMZJTMJSA-N 0 1 382.472 1.566 20 0 GDADMN C[C@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212503 953089042 /nfs/dbraw/zinc/08/90/42/953089042.db2.gz MORXWNPABFAEQJ-STQMWFEESA-N 0 1 382.472 1.165 20 0 GDADMN Cc1cc(C(=O)N2CCC(CCNc3ccc(-c4nn[nH]n4)nn3)CC2)n[nH]1 ZINC001571212804 953090607 /nfs/dbraw/zinc/09/06/07/953090607.db2.gz PGVQHVWLZNOGNZ-UHFFFAOYSA-N 0 1 382.432 1.043 20 0 GDADMN CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3ccnc(-c4nn[nH]n4)n3)C1)CC2 ZINC001571213217 953093082 /nfs/dbraw/zinc/09/30/82/953093082.db2.gz PSNQQNGSFUJVOQ-MLZJXEJWSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571214496 953102852 /nfs/dbraw/zinc/10/28/52/953102852.db2.gz ZYLJSNWQXIKIPK-TZMCWYRMSA-N 0 1 382.472 1.165 20 0 GDADMN O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCC12CC2 ZINC001571217349 953107162 /nfs/dbraw/zinc/10/71/62/953107162.db2.gz FWGDDBVZBNNNQT-UONOGXRCSA-N 0 1 382.472 1.570 20 0 GDADMN O=C(C1CCC2(CC2)CC1)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571217657 953110253 /nfs/dbraw/zinc/11/02/53/953110253.db2.gz GZTAQNQRTKISGO-UHFFFAOYSA-N 0 1 382.472 1.666 20 0 GDADMN O=C(CCC1CC1)N1CCC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571219303 953124912 /nfs/dbraw/zinc/12/49/12/953124912.db2.gz WVSRXXLTJIWHFN-LJQANCHMSA-N 0 1 382.472 1.666 20 0 GDADMN O=C(C(C1CCC1)C1CCC1)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571219571 953126647 /nfs/dbraw/zinc/12/66/47/953126647.db2.gz ZOSLHYKKVAKFIK-AWEZNQCLSA-N 0 1 382.472 1.308 20 0 GDADMN CCn1cccc1C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571229708 953171467 /nfs/dbraw/zinc/17/14/67/953171467.db2.gz KLKJBPNQCPWAIA-HNNXBMFYSA-N 0 1 383.431 1.832 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571232720 953188669 /nfs/dbraw/zinc/18/86/69/953188669.db2.gz JWXBHNFGJGYQPC-CJNGLKHVSA-N 0 1 383.456 1.163 20 0 GDADMN Cc1cc(N2CC[C@@H]3CN(C(=O)[C@H]4CCCO4)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233307 953191714 /nfs/dbraw/zinc/19/17/14/953191714.db2.gz RLTBLOPUVLKCMI-JKIFEVAISA-N 0 1 383.456 1.034 20 0 GDADMN O=C([C@H]1CCOC1)N1CC[C@@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234552 953202850 /nfs/dbraw/zinc/20/28/50/953202850.db2.gz BKEJCXGSYIOEBG-IUCAKERBSA-N 0 1 383.865 1.274 20 0 GDADMN O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@H]1CCCCO1 ZINC001571235200 953209161 /nfs/dbraw/zinc/20/91/61/953209161.db2.gz WQBGBTCUPBFWDO-HRDYMLBCSA-N 0 1 383.865 1.605 20 0 GDADMN O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@H]1CCCO1 ZINC001571235213 953210463 /nfs/dbraw/zinc/21/04/63/953210463.db2.gz XIECESIGFXIZJY-HRDYMLBCSA-N 0 1 383.865 1.462 20 0 GDADMN CC1(NC(=O)c2cn[nH]c2)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571239206 953237036 /nfs/dbraw/zinc/23/70/36/953237036.db2.gz HTFRQCVMZXHARS-UHFFFAOYSA-N 0 1 384.419 1.513 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)Cc2ccco2)CCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571239676 953241779 /nfs/dbraw/zinc/24/17/79/953241779.db2.gz PNXUJPPQAKKGIO-PXAZEXFGSA-N 0 1 384.415 1.921 20 0 GDADMN CCc1noc(C)c1CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571242490 953256992 /nfs/dbraw/zinc/25/69/92/953256992.db2.gz HRSLSFRQKYVMPV-ZYHUDNBSSA-N 0 1 384.444 1.446 20 0 GDADMN CCc1cnc(CNC[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571243080 953262640 /nfs/dbraw/zinc/26/26/40/953262640.db2.gz VIMFKPFPARWBLC-AAEUAGOBSA-N 0 1 384.444 1.434 20 0 GDADMN Cc1nc(CC(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)cs1 ZINC001571244627 953265970 /nfs/dbraw/zinc/26/59/70/953265970.db2.gz CLXRZKSRASLTSN-UHFFFAOYSA-N 0 1 384.469 1.093 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@@H]2C)nn1 ZINC001571244757 953266980 /nfs/dbraw/zinc/26/69/80/953266980.db2.gz HNISPRJEYQFOMY-WCQYABFASA-N 0 1 384.469 1.419 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@@H]2C)nn1 ZINC001571244757 953266983 /nfs/dbraw/zinc/26/69/83/953266983.db2.gz HNISPRJEYQFOMY-WCQYABFASA-N 0 1 384.469 1.419 20 0 GDADMN Cc1cc(CN2CCC3(CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)C2)sn1 ZINC001571244782 953267032 /nfs/dbraw/zinc/26/70/32/953267032.db2.gz IMUZUHCFUCQAQT-UHFFFAOYSA-N 0 1 384.469 1.308 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244893 953268340 /nfs/dbraw/zinc/26/83/40/953268340.db2.gz LJEKTANNXYDPMD-GFCCVEGCSA-N 0 1 384.469 1.312 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244893 953268342 /nfs/dbraw/zinc/26/83/42/953268342.db2.gz LJEKTANNXYDPMD-GFCCVEGCSA-N 0 1 384.469 1.312 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244893 953268344 /nfs/dbraw/zinc/26/83/44/953268344.db2.gz LJEKTANNXYDPMD-GFCCVEGCSA-N 0 1 384.469 1.312 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244893 953268348 /nfs/dbraw/zinc/26/83/48/953268348.db2.gz LJEKTANNXYDPMD-GFCCVEGCSA-N 0 1 384.469 1.312 20 0 GDADMN C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245068 953269461 /nfs/dbraw/zinc/26/94/61/953269461.db2.gz NIZBCQFAWJYDFZ-NWDGAFQWSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@@H]1CC[C@H](NC(=O)c2csnn2)CN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571245319 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GDADMN CCN1CCC[C@H]1CN(C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825452807 607816292 /nfs/dbraw/zinc/81/62/92/607816292.db2.gz QIBNFWYSRPQZSA-HNNXBMFYSA-N 0 1 378.502 1.057 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000825980546 607834813 /nfs/dbraw/zinc/83/48/13/607834813.db2.gz DTMKTLQDRPQYDK-UHFFFAOYSA-N 0 1 383.460 1.632 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000825980546 607834814 /nfs/dbraw/zinc/83/48/14/607834814.db2.gz DTMKTLQDRPQYDK-UHFFFAOYSA-N 0 1 383.460 1.632 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000825980546 607834815 /nfs/dbraw/zinc/83/48/15/607834815.db2.gz DTMKTLQDRPQYDK-UHFFFAOYSA-N 0 1 383.460 1.632 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000825980546 607834816 /nfs/dbraw/zinc/83/48/16/607834816.db2.gz DTMKTLQDRPQYDK-UHFFFAOYSA-N 0 1 383.460 1.632 20 0 GDADMN CN(C)c1cccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)n1 ZINC000825879172 607853748 /nfs/dbraw/zinc/85/37/48/607853748.db2.gz IRSFVINJEGTHFZ-UHFFFAOYSA-N 0 1 395.395 1.084 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cccc(F)c3o2)c1-c1nnn[n-]1 ZINC000826083334 608023114 /nfs/dbraw/zinc/02/31/14/608023114.db2.gz IVNKXICQFIYCCA-UHFFFAOYSA-N 0 1 384.375 1.879 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cccc(F)c3o2)c1-c1nn[n-]n1 ZINC000826083334 608023115 /nfs/dbraw/zinc/02/31/15/608023115.db2.gz IVNKXICQFIYCCA-UHFFFAOYSA-N 0 1 384.375 1.879 20 0 GDADMN C[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824901373 608043098 /nfs/dbraw/zinc/04/30/98/608043098.db2.gz YRQFOWMSANPSEX-MNOVXSKESA-N 0 1 376.486 1.591 20 0 GDADMN C[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824901373 608043099 /nfs/dbraw/zinc/04/30/99/608043099.db2.gz YRQFOWMSANPSEX-MNOVXSKESA-N 0 1 376.486 1.591 20 0 GDADMN C[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824899326 608043228 /nfs/dbraw/zinc/04/32/28/608043228.db2.gz JFVDYJDKHWGKBC-NWDGAFQWSA-N 0 1 390.513 1.981 20 0 GDADMN C[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824899326 608043229 /nfs/dbraw/zinc/04/32/29/608043229.db2.gz JFVDYJDKHWGKBC-NWDGAFQWSA-N 0 1 390.513 1.981 20 0 GDADMN O=C(c1cccc2[nH]cnc21)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826474188 608087526 /nfs/dbraw/zinc/08/75/26/608087526.db2.gz FFEPHGKQNCOOOW-INIZCTEOSA-N 0 1 375.392 1.957 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000824358156 608097815 /nfs/dbraw/zinc/09/78/15/608097815.db2.gz AJDMUIPCJKVASM-QMMMGPOBSA-N 0 1 380.409 1.287 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)n[nH]1 ZINC000825740376 608107541 /nfs/dbraw/zinc/10/75/41/608107541.db2.gz SWZXJGFINYIEOW-SSDOTTSWSA-N 0 1 389.807 1.017 20 0 GDADMN CC1(C)c2cc(S(=O)(=O)Nc3ccccc3-c3nn[nH]n3)ccc2NC1=O ZINC000824784346 608107699 /nfs/dbraw/zinc/10/76/99/608107699.db2.gz RBJBAGNVYYAJSE-UHFFFAOYSA-N 0 1 384.421 1.897 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000826277382 608107824 /nfs/dbraw/zinc/10/78/24/608107824.db2.gz SDONLGFDVMKYTP-JTQLQIEISA-N 0 1 383.416 1.233 20 0 GDADMN C[C@@H](CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824402662 608126406 /nfs/dbraw/zinc/12/64/06/608126406.db2.gz XQGSSSIRAUQYDR-LBPRGKRZSA-N 0 1 382.465 1.549 20 0 GDADMN C[C@@H](CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824402662 608126407 /nfs/dbraw/zinc/12/64/07/608126407.db2.gz XQGSSSIRAUQYDR-LBPRGKRZSA-N 0 1 382.465 1.549 20 0 GDADMN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000824207107 608194828 /nfs/dbraw/zinc/19/48/28/608194828.db2.gz PVOFPBHSXAINDD-SJCJKPOMSA-N 0 1 381.440 1.667 20 0 GDADMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824359250 608204217 /nfs/dbraw/zinc/20/42/17/608204217.db2.gz UMUKBUCFOBTBHV-WFASDCNBSA-N 0 1 395.471 1.954 20 0 GDADMN Cc1cccc2nc(CNS(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)[nH]c21 ZINC000826280292 608239002 /nfs/dbraw/zinc/23/90/02/608239002.db2.gz WGQPHQKJQIDWGP-UHFFFAOYSA-N 0 1 383.437 1.838 20 0 GDADMN CC(=O)N1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC12CCCCC2 ZINC000823981258 608255312 /nfs/dbraw/zinc/25/53/12/608255312.db2.gz KQEZDIPKVFHGEZ-GOSISDBHSA-N 0 1 384.484 1.767 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc(Cl)cc1 ZINC000825934589 608260944 /nfs/dbraw/zinc/26/09/44/608260944.db2.gz OPLMYWLWXCHROC-ZDUSSCGKSA-N 0 1 376.852 1.423 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1ccc(Cl)cc1 ZINC000825934589 608260945 /nfs/dbraw/zinc/26/09/45/608260945.db2.gz OPLMYWLWXCHROC-ZDUSSCGKSA-N 0 1 376.852 1.423 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc(Cl)cc1 ZINC000825934589 608260946 /nfs/dbraw/zinc/26/09/46/608260946.db2.gz OPLMYWLWXCHROC-ZDUSSCGKSA-N 0 1 376.852 1.423 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1ccc(Cl)cc1 ZINC000825934589 608260947 /nfs/dbraw/zinc/26/09/47/608260947.db2.gz OPLMYWLWXCHROC-ZDUSSCGKSA-N 0 1 376.852 1.423 20 0 GDADMN CCCn1cc(CN2CCCN(c3nc(C)ccc3-c3nn[nH]n3)CC2)cn1 ZINC000825362495 608284333 /nfs/dbraw/zinc/28/43/33/608284333.db2.gz MPEAVHAUEQSQTR-UHFFFAOYSA-N 0 1 381.488 1.889 20 0 GDADMN O=C(CN1CCC[C@@H](C[C@H]2CCOC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410496 608326796 /nfs/dbraw/zinc/32/67/96/608326796.db2.gz PEURDVUVYSSTQP-DLBZAZTESA-N 0 1 384.484 1.622 20 0 GDADMN COc1cccc([C@H](C)NCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826214311 608432515 /nfs/dbraw/zinc/43/25/15/608432515.db2.gz HPHUNFQBQFRSQE-ZDUSSCGKSA-N 0 1 387.465 2.000 20 0 GDADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825565608 608462944 /nfs/dbraw/zinc/46/29/44/608462944.db2.gz WKSLHJQIBXZFPT-NSHDSACASA-N 0 1 398.427 1.066 20 0 GDADMN C[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824578755 608464220 /nfs/dbraw/zinc/46/42/20/608464220.db2.gz VLCSQUXRFWVPCJ-NSHDSACASA-N 0 1 383.437 1.539 20 0 GDADMN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823967814 608480236 /nfs/dbraw/zinc/48/02/36/608480236.db2.gz POCNIJOAAFENRC-AUUYWEPGSA-N 0 1 392.463 1.834 20 0 GDADMN c1ncn(-c2ccccc2CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000826519697 608516046 /nfs/dbraw/zinc/51/60/46/608516046.db2.gz KGGRPRNKQJGIHF-UHFFFAOYSA-N 0 1 387.451 1.770 20 0 GDADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000826412664 608529725 /nfs/dbraw/zinc/52/97/25/608529725.db2.gz YACFSTAQQQLWMT-QGZVFWFLSA-N 0 1 390.447 1.565 20 0 GDADMN CCOC(=O)C1CCN(C(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000825499351 608530439 /nfs/dbraw/zinc/53/04/39/608530439.db2.gz LDMTZUWYLLUDPD-UHFFFAOYSA-N 0 1 398.467 1.247 20 0 GDADMN CS(=O)(=O)C[C@@H](NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826222307 608553936 /nfs/dbraw/zinc/55/39/36/608553936.db2.gz RIVPCICLYVMPAH-QGZVFWFLSA-N 0 1 387.465 1.621 20 0 GDADMN CO[C@@H]1[C@@H](C)[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1(C)C ZINC000826144812 608590115 /nfs/dbraw/zinc/59/01/15/608590115.db2.gz SUVYBRGHYBHLAI-HAGUPOPPSA-N 0 1 387.412 1.483 20 0 GDADMN Cc1cc(CC(=O)NC2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)[nH]n1 ZINC000826266163 608605667 /nfs/dbraw/zinc/60/56/67/608605667.db2.gz FCPGGZPBPUDMEU-UHFFFAOYSA-N 0 1 382.428 1.342 20 0 GDADMN Cn1ccnc1[C@H](O)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826364527 608704976 /nfs/dbraw/zinc/70/49/76/608704976.db2.gz ZGEMPMBMQOJUHK-QGZVFWFLSA-N 0 1 393.455 1.194 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000826249925 608822319 /nfs/dbraw/zinc/82/23/19/608822319.db2.gz BMKQAMDVNDAMLS-HNNXBMFYSA-N 0 1 391.391 1.178 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000824999758 608839059 /nfs/dbraw/zinc/83/90/59/608839059.db2.gz JJYGRRORJKFPBW-DJIMGWMZSA-N 0 1 376.468 1.971 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000824999758 608839061 /nfs/dbraw/zinc/83/90/61/608839061.db2.gz JJYGRRORJKFPBW-DJIMGWMZSA-N 0 1 376.468 1.971 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000824999758 608839064 /nfs/dbraw/zinc/83/90/64/608839064.db2.gz JJYGRRORJKFPBW-DJIMGWMZSA-N 0 1 376.468 1.971 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000824999758 608839067 /nfs/dbraw/zinc/83/90/67/608839067.db2.gz JJYGRRORJKFPBW-DJIMGWMZSA-N 0 1 376.468 1.971 20 0 GDADMN CN(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1cnc(N(C)C)nc1 ZINC000825915007 609140678 /nfs/dbraw/zinc/14/06/78/609140678.db2.gz RAQXZLGTFBFTFK-UHFFFAOYSA-N 0 1 381.444 1.183 20 0 GDADMN CCC[C@H]1C[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)CCO1 ZINC000825255711 609142164 /nfs/dbraw/zinc/14/21/64/609142164.db2.gz YNZLLTZSZIXGCS-RYUDHWBXSA-N 0 1 376.465 1.276 20 0 GDADMN CCC[C@H]1C[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)CCO1 ZINC000825255711 609142166 /nfs/dbraw/zinc/14/21/66/609142166.db2.gz YNZLLTZSZIXGCS-RYUDHWBXSA-N 0 1 376.465 1.276 20 0 GDADMN 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946161393 /nfs/dbraw/zinc/16/13/93/946161393.db2.gz ZHKMBGODPGFBPI-LBPRGKRZSA-N 0 1 389.822 1.992 20 0 GDADMN O=C(c1cccc2c1CCC2)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571298412 946217348 /nfs/dbraw/zinc/21/73/48/946217348.db2.gz NGKOHANMJGMOMF-UHFFFAOYSA-N 0 1 390.451 1.498 20 0 GDADMN O=C(NCC1CC(Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cccnc1 ZINC001571299041 946238201 /nfs/dbraw/zinc/23/82/01/946238201.db2.gz HVNZZJNSIJWQPY-UHFFFAOYSA-N 0 1 390.860 1.992 20 0 GDADMN Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299163 946240309 /nfs/dbraw/zinc/24/03/09/946240309.db2.gz JEQWMPSFOKRCSR-JHJVBQTASA-N 0 1 390.517 1.280 20 0 GDADMN Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299163 946240316 /nfs/dbraw/zinc/24/03/16/946240316.db2.gz JEQWMPSFOKRCSR-JHJVBQTASA-N 0 1 390.517 1.280 20 0 GDADMN O=C(Cc1cccc(C2CC2)c1)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571299176 946241090 /nfs/dbraw/zinc/24/10/90/946241090.db2.gz USDFJTPSSMIFIY-UHFFFAOYSA-N 0 1 390.451 1.425 20 0 GDADMN O=C(CCc1ccc(-c2nn[nH]n2)cc1)NC1CCN(Cc2cccnc2)CC1 ZINC000822978432 946244408 /nfs/dbraw/zinc/24/44/08/946244408.db2.gz KSWWXZRPEXWAGQ-UHFFFAOYSA-N 0 1 391.479 1.975 20 0 GDADMN CN(C(=O)c1ccc(C2CC2)cc1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571299499 946251315 /nfs/dbraw/zinc/25/13/15/946251315.db2.gz SQNNNKQAKYBXMP-INIZCTEOSA-N 0 1 390.451 1.885 20 0 GDADMN O=C(CC[C@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299913 946267511 /nfs/dbraw/zinc/26/75/11/946267511.db2.gz QVJYJGMUGJAODH-UONOGXRCSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(CC[C@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299913 946267520 /nfs/dbraw/zinc/26/75/20/946267520.db2.gz QVJYJGMUGJAODH-UONOGXRCSA-N 0 1 390.513 1.968 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCO1 ZINC001571300271 946277792 /nfs/dbraw/zinc/27/77/92/946277792.db2.gz YGRCCEMDPIOXSD-YIYPIFLZSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001571300271 946277807 /nfs/dbraw/zinc/27/78/07/946277807.db2.gz YGRCCEMDPIOXSD-YIYPIFLZSA-N 0 1 390.513 1.728 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(c2c(F)cccc2F)CCCC1 ZINC000823126329 946324119 /nfs/dbraw/zinc/32/41/19/946324119.db2.gz IBVTVKHKQDCEAM-UHFFFAOYSA-N 0 1 388.382 1.365 20 0 GDADMN CC1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001571308106 946430347 /nfs/dbraw/zinc/43/03/47/946430347.db2.gz MXMRKIHBRNMSMT-LLVKDONJSA-N 0 1 392.414 1.165 20 0 GDADMN O=C([C@H]1CCCC(F)(F)C1)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571308313 946431727 /nfs/dbraw/zinc/43/17/27/946431727.db2.gz OJFWMQBMNILYQB-RYUDHWBXSA-N 0 1 392.414 1.307 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571308368 946431861 /nfs/dbraw/zinc/43/18/61/946431861.db2.gz PDWVCTNZGKMBDZ-WDEREUQCSA-N 0 1 392.414 1.566 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCCC1(F)F ZINC001571309518 946447176 /nfs/dbraw/zinc/44/71/76/946447176.db2.gz CIKJBPDUNVBLKE-NWDGAFQWSA-N 0 1 392.414 1.567 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCC(F)(F)C1 ZINC001571310176 946463492 /nfs/dbraw/zinc/46/34/92/946463492.db2.gz XRGOAEGENGCTEP-RYUDHWBXSA-N 0 1 392.414 1.567 20 0 GDADMN CCc1ccnc(C(=O)N2CC[C@@](C)(CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571312912 946506270 /nfs/dbraw/zinc/50/62/70/946506270.db2.gz FMPJXALYMOSXGW-FQEVSTJZSA-N 0 1 392.467 1.605 20 0 GDADMN Cc1ccc(C)c(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571314905 946545321 /nfs/dbraw/zinc/54/53/21/946545321.db2.gz DDAXUVPWVMEFDP-LSDHHAIUSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cc(NC[C@H]2CC[C@@H](NC(=O)c3ccncc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315148 946546676 /nfs/dbraw/zinc/54/66/76/946546676.db2.gz GSBILOGXSQFCQI-LSDHHAIUSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571316012 946564479 /nfs/dbraw/zinc/56/44/79/946564479.db2.gz RSMHNKCDKAWKKQ-HNNXBMFYSA-N 0 1 392.467 1.954 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571316656 946585771 /nfs/dbraw/zinc/58/57/71/946585771.db2.gz JGKIVZDJQOWEDH-HZPDHXFCSA-N 0 1 392.467 1.484 20 0 GDADMN Cc1ncncc1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1C ZINC001571317016 946595352 /nfs/dbraw/zinc/59/53/52/946595352.db2.gz RYNMWAOOGKEHLW-KSSFIOAISA-N 0 1 392.467 1.748 20 0 GDADMN Cc1nnccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571317156 946602583 /nfs/dbraw/zinc/60/25/83/946602583.db2.gz WRQLKGIQGYPYBO-CZUORRHYSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cnc(C(=O)N2C[C@H](C)[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571317224 946603957 /nfs/dbraw/zinc/60/39/57/946603957.db2.gz YHDXQURTLXXUGM-LSDHHAIUSA-N 0 1 392.467 1.516 20 0 GDADMN O=C(c1n[nH]c2c1CCC2)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571317506 946610536 /nfs/dbraw/zinc/61/05/36/946610536.db2.gz KKXLPQURJWIYIS-UHFFFAOYSA-N 0 1 392.467 1.427 20 0 GDADMN CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H](C)CN1CCOCC1 ZINC000824255373 946633207 /nfs/dbraw/zinc/63/32/07/946633207.db2.gz HHYDPRSISUXVKS-MRXNPFEDSA-N 0 1 386.500 1.820 20 0 GDADMN Brc1ccc(-c2nn[nH]n2)c(NCc2nnc([C@H]3CCOC3)[nH]2)c1 ZINC001573280265 946656393 /nfs/dbraw/zinc/65/63/93/946656393.db2.gz RUFLHEUFJGHVGV-QMMMGPOBSA-N 0 1 391.233 1.863 20 0 GDADMN C[C@H](NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824599905 946850578 /nfs/dbraw/zinc/85/05/78/946850578.db2.gz URZHEGAVVWNPLS-BBRMVZONSA-N 0 1 394.501 1.006 20 0 GDADMN C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573585965 947274809 /nfs/dbraw/zinc/27/48/09/947274809.db2.gz KCMIKTVIUFQSCL-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573585965 947274822 /nfs/dbraw/zinc/27/48/22/947274822.db2.gz KCMIKTVIUFQSCL-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001573594832 947409007 /nfs/dbraw/zinc/40/90/07/947409007.db2.gz CTDCGPPQBRGCAY-VXGBXAGGSA-N 0 1 390.469 1.234 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001573594832 947409012 /nfs/dbraw/zinc/40/90/12/947409012.db2.gz CTDCGPPQBRGCAY-VXGBXAGGSA-N 0 1 390.469 1.234 20 0 GDADMN COC(=O)C1(c2ccc(S(=O)(=O)Nc3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000826129620 947444075 /nfs/dbraw/zinc/44/40/75/947444075.db2.gz WRZSIIIKRGJQIZ-UHFFFAOYSA-N 0 1 399.432 1.872 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573599289 947454600 /nfs/dbraw/zinc/45/46/00/947454600.db2.gz XGUDBWTXZLGXFG-BDAKNGLRSA-N 0 1 392.407 1.036 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573599289 947454605 /nfs/dbraw/zinc/45/46/05/947454605.db2.gz XGUDBWTXZLGXFG-BDAKNGLRSA-N 0 1 392.407 1.036 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573599302 947455079 /nfs/dbraw/zinc/45/50/79/947455079.db2.gz XGUDBWTXZLGXFG-DTWKUNHWSA-N 0 1 392.407 1.036 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573599302 947455088 /nfs/dbraw/zinc/45/50/88/947455088.db2.gz XGUDBWTXZLGXFG-DTWKUNHWSA-N 0 1 392.407 1.036 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573599453 947458258 /nfs/dbraw/zinc/45/82/58/947458258.db2.gz YGDMJFDASVKICI-GXTWGEPZSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573599453 947458263 /nfs/dbraw/zinc/45/82/63/947458263.db2.gz YGDMJFDASVKICI-GXTWGEPZSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@@H](C(=O)N(Cc1cccs1)Cc1ccncc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573608027 947554455 /nfs/dbraw/zinc/55/44/55/947554455.db2.gz UNELDCBXBLEQGI-LBPRGKRZSA-N 0 1 395.452 1.705 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573354686 947636349 /nfs/dbraw/zinc/63/63/49/947636349.db2.gz HAOCEMLUKQEZRC-AWEZNQCLSA-N 0 1 384.465 1.452 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573354686 947636358 /nfs/dbraw/zinc/63/63/58/947636358.db2.gz HAOCEMLUKQEZRC-AWEZNQCLSA-N 0 1 384.465 1.452 20 0 GDADMN C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573358651 947668357 /nfs/dbraw/zinc/66/83/57/947668357.db2.gz GNFGGUVRFVCENN-PMPSAXMXSA-N 0 1 388.435 1.839 20 0 GDADMN C[C@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573619666 947669538 /nfs/dbraw/zinc/66/95/38/947669538.db2.gz XBQPUNMNAKWPJQ-SUMWQHHRSA-N 0 1 385.472 1.504 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(F)c1 ZINC001573626553 947710302 /nfs/dbraw/zinc/71/03/02/947710302.db2.gz VHCMLDPOJPTBLZ-BXUZGUMPSA-N 0 1 382.403 1.034 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000327795874 971425748 /nfs/dbraw/zinc/42/57/48/971425748.db2.gz DRJDHNBDVCYMFW-CYBMUJFWSA-N 0 1 388.873 1.762 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573367694 947761742 /nfs/dbraw/zinc/76/17/42/947761742.db2.gz GDBYURCTUZTJIJ-ZFWWWQNUSA-N 0 1 385.472 1.339 20 0 GDADMN Cc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)n(C2CC[NH+](C)CC2)n1 ZINC000826270288 947781341 /nfs/dbraw/zinc/78/13/41/947781341.db2.gz TUCHCGAKMNSMBS-UHFFFAOYSA-N 0 1 385.432 1.116 20 0 GDADMN Cc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n(C2CC[NH+](C)CC2)n1 ZINC000826270288 947781347 /nfs/dbraw/zinc/78/13/47/947781347.db2.gz TUCHCGAKMNSMBS-UHFFFAOYSA-N 0 1 385.432 1.116 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573372686 947781678 /nfs/dbraw/zinc/78/16/78/947781678.db2.gz CBVVLDMMTLFQHO-OAHLLOKOSA-N 0 1 385.472 1.484 20 0 GDADMN CC(=O)CCCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573374283 947807424 /nfs/dbraw/zinc/80/74/24/947807424.db2.gz IWJGLXWUGWSCDV-UHFFFAOYSA-N 0 1 376.486 1.672 20 0 GDADMN CC(=O)CCCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573374283 947807432 /nfs/dbraw/zinc/80/74/32/947807432.db2.gz IWJGLXWUGWSCDV-UHFFFAOYSA-N 0 1 376.486 1.672 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)(C)C ZINC001573375550 947821652 /nfs/dbraw/zinc/82/16/52/947821652.db2.gz ODOUPLTUWOKAEV-INIZCTEOSA-N 0 1 387.488 1.694 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21)n1cnc(-c2nn[nH]n2)n1 ZINC001573638541 947840208 /nfs/dbraw/zinc/84/02/08/947840208.db2.gz OMWRTZDTJGXZPU-LCGIIJARSA-N 0 1 394.439 1.540 20 0 GDADMN C[C@H](C(=O)N1CCO[C@@H](c2cccc(F)c2)[C@@H]1C)n1cnc(-c2nn[nH]n2)n1 ZINC001573640369 947850146 /nfs/dbraw/zinc/85/01/46/947850146.db2.gz GVWKYNWCXWOZOY-MISXGVKJSA-N 0 1 386.391 1.147 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573647199 947887103 /nfs/dbraw/zinc/88/71/03/947887103.db2.gz DQMQNZBFLUIWAZ-OUAUKWLOSA-N 0 1 398.393 1.174 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573656352 947987659 /nfs/dbraw/zinc/98/76/59/947987659.db2.gz DYZDPFAOGJYDEF-CJNGLKHVSA-N 0 1 385.472 1.552 20 0 GDADMN C[C@H](C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(F)F ZINC001573664069 948047189 /nfs/dbraw/zinc/04/71/89/948047189.db2.gz RTQZCPWKTYUVKJ-MNOVXSKESA-N 0 1 392.414 1.423 20 0 GDADMN C[C@@H](C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573666010 948079604 /nfs/dbraw/zinc/07/96/04/948079604.db2.gz OOACUBUYSXZJLV-IUDNXUCKSA-N 0 1 392.467 1.722 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573671365 948107277 /nfs/dbraw/zinc/10/72/77/948107277.db2.gz FHIPEPNDQOGOAA-KSSFIOAISA-N 0 1 377.452 1.756 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@@H](C)c1cccs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573678991 948156418 /nfs/dbraw/zinc/15/64/18/948156418.db2.gz HGGJVKRCPQIVNE-RYUDHWBXSA-N 0 1 386.485 1.497 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680537 948182488 /nfs/dbraw/zinc/18/24/88/948182488.db2.gz QOUCOXNZRVKAOL-UWVGGRQHSA-N 0 1 380.403 1.279 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573681640 948210787 /nfs/dbraw/zinc/21/07/87/948210787.db2.gz YHQDSKYMWXAUSK-CABCVRRESA-N 0 1 386.504 1.467 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001573681906 948216678 /nfs/dbraw/zinc/21/66/78/948216678.db2.gz YSBPBCIZORNYHL-PWSUYJOCSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@@H](C(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573691508 948243783 /nfs/dbraw/zinc/24/37/83/948243783.db2.gz JKKYKFFMFKVGJT-YJYMSZOUSA-N 0 1 384.488 1.816 20 0 GDADMN O=C(NCCc1nc[nH]n1)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000826439795 948298388 /nfs/dbraw/zinc/29/83/88/948298388.db2.gz KNDNDQNBRTUZDY-UHFFFAOYSA-N 0 1 399.806 1.188 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001573695254 948302760 /nfs/dbraw/zinc/30/27/60/948302760.db2.gz FUSZJIIGXIKQHJ-NZBPQXDJSA-N 0 1 379.424 1.457 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@@H](C)C(=O)[O-] ZINC001602757784 971472854 /nfs/dbraw/zinc/47/28/54/971472854.db2.gz MAOWCIPMVZGXSN-OFQRWUPVSA-N 0 1 385.505 1.933 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573703613 948356802 /nfs/dbraw/zinc/35/68/02/948356802.db2.gz LHZNVNSTYUNHMS-KBPBESRZSA-N 0 1 381.440 1.991 20 0 GDADMN O=C1[C@@H](N2CCC3(CC2)OCCO3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476621 948383096 /nfs/dbraw/zinc/38/30/96/948383096.db2.gz LFNYTWLFLKTLCB-INIZCTEOSA-N 0 1 384.440 1.201 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573713802 948467390 /nfs/dbraw/zinc/46/73/90/948467390.db2.gz BUFBEBARIMHENM-KGLIPLIRSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573726230 948548068 /nfs/dbraw/zinc/54/80/68/948548068.db2.gz GHBQQSSWAOQPTN-MGPQQGTHSA-N 0 1 384.488 1.459 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573728180 948560197 /nfs/dbraw/zinc/56/01/97/948560197.db2.gz PRERMLIHGQPBFX-SDDRHHMPSA-N 0 1 379.415 1.672 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573746879 948686657 /nfs/dbraw/zinc/68/66/57/948686657.db2.gz MKPQXGNLUQGPFA-RWMBFGLXSA-N 0 1 381.415 1.686 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575224319 948781902 /nfs/dbraw/zinc/78/19/02/948781902.db2.gz TWRKZUSKAWTLKJ-NSHDSACASA-N 0 1 392.414 1.307 20 0 GDADMN CC(C)[C@@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1)[NH+]1CCCC1 ZINC001574679492 948784696 /nfs/dbraw/zinc/78/46/96/948784696.db2.gz WGKRNJNUSNFUKF-BBRMVZONSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001574679492 948784704 /nfs/dbraw/zinc/78/47/04/948784704.db2.gz WGKRNJNUSNFUKF-BBRMVZONSA-N 0 1 387.492 1.084 20 0 GDADMN CC(F)(F)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001575224621 948788338 /nfs/dbraw/zinc/78/83/38/948788338.db2.gz PHVGWINLCUUDID-PHIMTYICSA-N 0 1 382.440 1.864 20 0 GDADMN CC(F)(F)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001575224621 948788343 /nfs/dbraw/zinc/78/83/43/948788343.db2.gz PHVGWINLCUUDID-PHIMTYICSA-N 0 1 382.440 1.864 20 0 GDADMN CC(F)(F)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001575224621 948788351 /nfs/dbraw/zinc/78/83/51/948788351.db2.gz PHVGWINLCUUDID-PHIMTYICSA-N 0 1 382.440 1.864 20 0 GDADMN CC(F)(F)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001575224621 948788360 /nfs/dbraw/zinc/78/83/60/948788360.db2.gz PHVGWINLCUUDID-PHIMTYICSA-N 0 1 382.440 1.864 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccnn1C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916876 948794253 /nfs/dbraw/zinc/79/42/53/948794253.db2.gz LRLKBSTXDKBLNS-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccnn1C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916876 948794264 /nfs/dbraw/zinc/79/42/64/948794264.db2.gz LRLKBSTXDKBLNS-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575224794 948795375 /nfs/dbraw/zinc/79/53/75/948795375.db2.gz YZEZJTRRVSHFNU-PHIMTYICSA-N 0 1 377.399 1.426 20 0 GDADMN CC(C)(C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573761079 948835609 /nfs/dbraw/zinc/83/56/09/948835609.db2.gz ANJSOPGHWCIUMP-UHFFFAOYSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574918514 948849854 /nfs/dbraw/zinc/84/98/54/948849854.db2.gz LZHASPZMJFJAMD-CQSZACIVSA-N 0 1 380.456 1.621 20 0 GDADMN C[C@H](CNC(=O)CCCc1cccs1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574918775 948858522 /nfs/dbraw/zinc/85/85/22/948858522.db2.gz QBQUYUQBPJVQAG-GFCCVEGCSA-N 0 1 386.485 1.682 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccccc1 ZINC001573762715 948859027 /nfs/dbraw/zinc/85/90/27/948859027.db2.gz ZIDJHGMAGRPOTB-OAHLLOKOSA-N 0 1 391.479 1.922 20 0 GDADMN CC(F)(F)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575233558 948888685 /nfs/dbraw/zinc/88/86/85/948888685.db2.gz LJRWSBSWBHSEML-QWRGUYRKSA-N 0 1 380.403 1.211 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573764661 948896219 /nfs/dbraw/zinc/89/62/19/948896219.db2.gz PRNKLDUKLFDZKY-JTQLQIEISA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cc1ccon1 ZINC001574684967 948897343 /nfs/dbraw/zinc/89/73/43/948897343.db2.gz PWDMHDYLFNHIFA-ZETCQYMHSA-N 0 1 382.837 1.514 20 0 GDADMN CC(C)(C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573771244 948938322 /nfs/dbraw/zinc/93/83/22/948938322.db2.gz DNMWRHWXSPFETA-UHFFFAOYSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574688249 948954997 /nfs/dbraw/zinc/95/49/97/948954997.db2.gz SJPIULKNKOQHBG-YUSALJHKSA-N 0 1 385.407 1.234 20 0 GDADMN C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001574688850 948973643 /nfs/dbraw/zinc/97/36/43/948973643.db2.gz AICWVLLLGQSLPU-ZIAGYGMSSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001574688850 948973647 /nfs/dbraw/zinc/97/36/47/948973647.db2.gz AICWVLLLGQSLPU-ZIAGYGMSSA-N 0 1 387.492 1.228 20 0 GDADMN CC(C)(C(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573773425 948984626 /nfs/dbraw/zinc/98/46/26/948984626.db2.gz BQBGBFBZYOPWLX-MRVPVSSYSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001575501348 949008412 /nfs/dbraw/zinc/00/84/12/949008412.db2.gz HERFDVDESYCZQC-QMMMGPOBSA-N 0 1 397.424 1.499 20 0 GDADMN C[C@@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)c1n[nH]c2ccccc21 ZINC001574691232 949017080 /nfs/dbraw/zinc/01/70/80/949017080.db2.gz UNSYETGXJRIBQZ-NSHDSACASA-N 0 1 377.412 1.759 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574692945 949047647 /nfs/dbraw/zinc/04/76/47/949047647.db2.gz DPSTURHMORESTC-DTWKUNHWSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574692945 949047664 /nfs/dbraw/zinc/04/76/64/949047664.db2.gz DPSTURHMORESTC-DTWKUNHWSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575249424 949098730 /nfs/dbraw/zinc/09/87/30/949098730.db2.gz BSMZFAHLPUPSRL-GHMZBOCLSA-N 0 1 392.414 1.423 20 0 GDADMN C[C@H](NC(=O)[C@H](C)n1cccc1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251060 949125433 /nfs/dbraw/zinc/12/54/33/949125433.db2.gz KQCICGQKSUIRHC-STQMWFEESA-N 0 1 385.497 1.927 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001574094629 949140073 /nfs/dbraw/zinc/14/00/73/949140073.db2.gz YZPGAIHNJRJYQX-ZIAGYGMSSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575252216 949156678 /nfs/dbraw/zinc/15/66/78/949156678.db2.gz PKZNYDXLYCMQAU-CHWSQXEVSA-N 0 1 380.456 1.362 20 0 GDADMN C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575252853 949173426 /nfs/dbraw/zinc/17/34/26/949173426.db2.gz IABZOTSNEUFVOM-QWHCGFSZSA-N 0 1 388.451 1.518 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)c1ccccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698280 949183944 /nfs/dbraw/zinc/18/39/44/949183944.db2.gz IQEUMJIGOBKYJM-VXGBXAGGSA-N 0 1 384.419 1.280 20 0 GDADMN C[C@@H](NC(=O)C1(F)CCOCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575253631 949192834 /nfs/dbraw/zinc/19/28/34/949192834.db2.gz KZKTXFOIKIBOPS-CYBMUJFWSA-N 0 1 388.447 1.322 20 0 GDADMN C[C@@H](NC(=O)[C@H](C)n1cccc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575254465 949202430 /nfs/dbraw/zinc/20/24/30/949202430.db2.gz WCDDWNLMGJDDDB-CABCVRRESA-N 0 1 379.468 1.866 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccc1 ZINC001575254468 949203685 /nfs/dbraw/zinc/20/36/85/949203685.db2.gz WCDDWNLMGJDDDB-LSDHHAIUSA-N 0 1 379.468 1.866 20 0 GDADMN C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574936206 949207762 /nfs/dbraw/zinc/20/77/62/949207762.db2.gz IGDCNYIXTYVOFC-NSHDSACASA-N 0 1 382.428 1.311 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574936080 949209150 /nfs/dbraw/zinc/20/91/50/949209150.db2.gz HBXVZNQUJCMSHZ-SECBINFHSA-N 0 1 392.876 1.200 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699057 949225070 /nfs/dbraw/zinc/22/50/70/949225070.db2.gz RXXXTKRGCWGDPV-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]1(F)CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574701520 949266052 /nfs/dbraw/zinc/26/60/52/949266052.db2.gz BIVWSVXIRLTLMF-GTNSWQLSSA-N 0 1 380.399 1.071 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccccc1F)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574940633 949273198 /nfs/dbraw/zinc/27/31/98/949273198.db2.gz HSMXRYGUGKJBHB-LBPRGKRZSA-N 0 1 386.406 1.982 20 0 GDADMN C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575259161 949325464 /nfs/dbraw/zinc/32/54/64/949325464.db2.gz MXAGJGWUSGBNLJ-ZIAGYGMSSA-N 0 1 383.456 1.677 20 0 GDADMN CC(C)n1ccc(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001574457384 949326501 /nfs/dbraw/zinc/32/65/01/949326501.db2.gz JXKRNNCEINUSRO-ZDUSSCGKSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@@H](NC(=O)C1=CCOCC1)[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575260055 949342066 /nfs/dbraw/zinc/34/20/66/949342066.db2.gz TZRIQPMQUDWNQD-HTQZYQBOSA-N 0 1 383.865 1.628 20 0 GDADMN CC(C)n1ccc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001574458790 949349069 /nfs/dbraw/zinc/34/90/69/949349069.db2.gz YKFWFKFIFFTOLM-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN CC(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574110133 949350156 /nfs/dbraw/zinc/35/01/56/949350156.db2.gz RCADUOXJDOWVRH-GXTWGEPZSA-N 0 1 378.502 1.680 20 0 GDADMN CC(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574110133 949350179 /nfs/dbraw/zinc/35/01/79/949350179.db2.gz RCADUOXJDOWVRH-GXTWGEPZSA-N 0 1 378.502 1.680 20 0 GDADMN CC1=CC[C@](C)(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)CC1 ZINC001575863414 949350776 /nfs/dbraw/zinc/35/07/76/949350776.db2.gz CKANMGJLPKTFLK-SXGZJXTBSA-N 0 1 396.499 1.722 20 0 GDADMN CC(C)n1ccc(C(=O)N(C)CCCN(C)c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574458833 949354297 /nfs/dbraw/zinc/35/42/97/949354297.db2.gz ZPQRJNCITLLOEC-UHFFFAOYSA-N 0 1 384.448 1.033 20 0 GDADMN C[C@@H](Nc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H](C)NC(=O)C1=COCCO1 ZINC001575260878 949365629 /nfs/dbraw/zinc/36/56/29/949365629.db2.gz YEZVTSQIGSKIJX-NKWVEPMBSA-N 0 1 385.837 1.170 20 0 GDADMN C[C@@H](NC(=O)[C@@H]1CCCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575262724 949379638 /nfs/dbraw/zinc/37/96/38/949379638.db2.gz BRPOPGGLLSXRDU-CHWSQXEVSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2cccc(-c3nn[nH]n3)c2)CCOC1 ZINC001575527774 949380139 /nfs/dbraw/zinc/38/01/39/949380139.db2.gz HFJWIBSCKXOSSZ-QKLQHJQFSA-N 0 1 382.468 1.469 20 0 GDADMN C[C@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575262838 949382545 /nfs/dbraw/zinc/38/25/45/949382545.db2.gz CMCKMOYFHBEGED-STQMWFEESA-N 0 1 377.452 1.404 20 0 GDADMN CC(C)n1ccc(CC(=O)NCCN(C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001574460711 949383503 /nfs/dbraw/zinc/38/35/03/949383503.db2.gz YKSCDGRIJONOQZ-UHFFFAOYSA-N 0 1 382.472 1.435 20 0 GDADMN CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001575528305 949397626 /nfs/dbraw/zinc/39/76/26/949397626.db2.gz RLJRGJITNINEBN-OAHLLOKOSA-N 0 1 385.472 1.149 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574704588 949398684 /nfs/dbraw/zinc/39/86/84/949398684.db2.gz DEQBUEKVTAPGLA-RHSMWYFYSA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574704588 949398706 /nfs/dbraw/zinc/39/87/06/949398706.db2.gz DEQBUEKVTAPGLA-RHSMWYFYSA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21 ZINC001573801429 949401111 /nfs/dbraw/zinc/40/11/11/949401111.db2.gz AHCHLOGUKBIXNA-PSVAKVPMSA-N 0 1 381.893 1.821 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574704878 949407981 /nfs/dbraw/zinc/40/79/81/949407981.db2.gz FKHBWPQYUWMCOR-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574704878 949408002 /nfs/dbraw/zinc/40/80/02/949408002.db2.gz FKHBWPQYUWMCOR-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574704878 949408021 /nfs/dbraw/zinc/40/80/21/949408021.db2.gz FKHBWPQYUWMCOR-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574704878 949408033 /nfs/dbraw/zinc/40/80/33/949408033.db2.gz FKHBWPQYUWMCOR-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](CNC(=O)Cc1cscn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574945076 949412001 /nfs/dbraw/zinc/41/20/01/949412001.db2.gz KGLPCZCAIWHNLZ-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN C[C@H](CNC(=O)Cc1cscn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574945076 949412020 /nfs/dbraw/zinc/41/20/20/949412020.db2.gz KGLPCZCAIWHNLZ-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574465104 949431311 /nfs/dbraw/zinc/43/13/11/949431311.db2.gz NRPAURYNSNSRND-CYBMUJFWSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001574705539 949431356 /nfs/dbraw/zinc/43/13/56/949431356.db2.gz IFBJQPDQGKDWHQ-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705539 949431371 /nfs/dbraw/zinc/43/13/71/949431371.db2.gz IFBJQPDQGKDWHQ-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705539 949431385 /nfs/dbraw/zinc/43/13/85/949431385.db2.gz IFBJQPDQGKDWHQ-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1=NN(C)CC1=O ZINC001575264742 949433467 /nfs/dbraw/zinc/43/34/67/949433467.db2.gz PWEINVJVXDKINZ-SMDDNHRTSA-N 0 1 382.428 1.152 20 0 GDADMN C[C@@H](CNC(=O)Cc1cnoc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574946579 949434623 /nfs/dbraw/zinc/43/46/23/949434623.db2.gz VTIZRPNKZQJLDO-ZETCQYMHSA-N 0 1 382.837 1.148 20 0 GDADMN CC(C)(C)C(=O)NC[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)CCO1 ZINC001573803297 949440692 /nfs/dbraw/zinc/44/06/92/949440692.db2.gz QBKICQBPWGXJEM-MRVPVSSYSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575535167 949442302 /nfs/dbraw/zinc/44/23/02/949442302.db2.gz SVKYWTCLXBLRNZ-SJCJKPOMSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575535167 949442322 /nfs/dbraw/zinc/44/23/22/949442322.db2.gz SVKYWTCLXBLRNZ-SJCJKPOMSA-N 0 1 376.486 1.293 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465708 949443308 /nfs/dbraw/zinc/44/33/08/949443308.db2.gz WWRSARIRZABUDX-SFHVURJKSA-N 0 1 381.444 1.438 20 0 GDADMN C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001576156662 949454178 /nfs/dbraw/zinc/45/41/78/949454178.db2.gz ZAAHZLNTHNPDBP-PXWIGAEESA-N 0 1 382.472 1.663 20 0 GDADMN CC1(C(=O)N2CCC(O)(CNc3ccncc3-c3nn[nH]n3)CC2)CCCC1 ZINC001575535829 949457800 /nfs/dbraw/zinc/45/78/00/949457800.db2.gz BRWCWKPKULKPFL-UHFFFAOYSA-N 0 1 385.472 1.029 20 0 GDADMN C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575868726 949463792 /nfs/dbraw/zinc/46/37/92/949463792.db2.gz OPHIOTAJSWWREK-WDEREUQCSA-N 0 1 392.414 1.566 20 0 GDADMN CC1(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCC(F)(F)CC1 ZINC001575536345 949467985 /nfs/dbraw/zinc/46/79/85/949467985.db2.gz HFNYKRICMUVKLB-LBPRGKRZSA-N 0 1 391.426 1.912 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCCO1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575267604 949501661 /nfs/dbraw/zinc/50/16/61/949501661.db2.gz IRHPECUGXXKIRJ-IUODEOHRSA-N 0 1 388.447 1.511 20 0 GDADMN C[C@@H](NC(=O)C[C@@H]1CCCO1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575267602 949505263 /nfs/dbraw/zinc/50/52/63/949505263.db2.gz IRHPECUGXXKIRJ-DOMZBBRYSA-N 0 1 388.447 1.511 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576159398 949516652 /nfs/dbraw/zinc/51/66/52/949516652.db2.gz XERKFNNIYMCZGS-QXSJWSMHSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574471856 949538122 /nfs/dbraw/zinc/53/81/22/949538122.db2.gz NSBJDNGXIDKNRT-HIFPTAJRSA-N 0 1 382.428 1.267 20 0 GDADMN C[C@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576164553 949554292 /nfs/dbraw/zinc/55/42/92/949554292.db2.gz HEGCEELPLOWGJF-GUYCJALGSA-N 0 1 383.456 1.417 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCCCO1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269874 949568109 /nfs/dbraw/zinc/56/81/09/949568109.db2.gz XESYNQUJROMFOU-RDTXWAMCSA-N 0 1 384.484 1.762 20 0 GDADMN C[C@@H](NC(=O)CC1(O)CCC1)[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575270293 949581441 /nfs/dbraw/zinc/58/14/41/949581441.db2.gz ZEMXZUNRFVDTPX-HTQZYQBOSA-N 0 1 385.881 1.587 20 0 GDADMN CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574126037 949600762 /nfs/dbraw/zinc/60/07/62/949600762.db2.gz XCKMGTOYNSMHKK-CQSZACIVSA-N 0 1 389.504 1.590 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001575545515 949601077 /nfs/dbraw/zinc/60/10/77/949601077.db2.gz LFKLINASFGPMQS-YVEFUNNKSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001575545515 949601087 /nfs/dbraw/zinc/60/10/87/949601087.db2.gz LFKLINASFGPMQS-YVEFUNNKSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@]1(C(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575547221 949622901 /nfs/dbraw/zinc/62/29/01/949622901.db2.gz WDANSLAPUZKYCC-HXUWFJFHSA-N 0 1 384.484 1.718 20 0 GDADMN C[C@]1(C(=O)N2CCCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575547496 949625278 /nfs/dbraw/zinc/62/52/78/949625278.db2.gz XMSKPGARGBLWPR-KUHUBIRLSA-N 0 1 385.472 1.293 20 0 GDADMN C[C@@H](NC(=O)CCCc1ccsc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575271653 949625770 /nfs/dbraw/zinc/62/57/70/949625770.db2.gz LQXPCBYBVZVLKJ-NWDGAFQWSA-N 0 1 386.485 1.468 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(F)CCCCC1 ZINC001573816183 949669271 /nfs/dbraw/zinc/66/92/71/949669271.db2.gz PMPXIWBNJULPTO-LBPRGKRZSA-N 0 1 390.467 1.694 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H](C)c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574716390 949692873 /nfs/dbraw/zinc/69/28/73/949692873.db2.gz NWUWOXONKBYHMS-UONOGXRCSA-N 0 1 380.456 1.531 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCC1CCCC1 ZINC001573817137 949693554 /nfs/dbraw/zinc/69/35/54/949693554.db2.gz XNGLLWURFLDDJI-CQSZACIVSA-N 0 1 386.504 1.992 20 0 GDADMN C[C@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575880916 949706485 /nfs/dbraw/zinc/70/64/85/949706485.db2.gz VVTQOVQKDXYOFC-SWLSCSKDSA-N 0 1 385.497 1.968 20 0 GDADMN C[C@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575880916 949706499 /nfs/dbraw/zinc/70/64/99/949706499.db2.gz VVTQOVQKDXYOFC-SWLSCSKDSA-N 0 1 385.497 1.968 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574717382 949732259 /nfs/dbraw/zinc/73/22/59/949732259.db2.gz VNXOHTJVDSWNSW-IUODEOHRSA-N 0 1 376.436 1.511 20 0 GDADMN C[C@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576170773 949738622 /nfs/dbraw/zinc/73/86/22/949738622.db2.gz MVMKWVUJTYTIQG-ZFWWWQNUSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576171263 949758637 /nfs/dbraw/zinc/75/86/37/949758637.db2.gz PXWXLDZQOZRFKH-RHSMWYFYSA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576171263 949758650 /nfs/dbraw/zinc/75/86/50/949758650.db2.gz PXWXLDZQOZRFKH-RHSMWYFYSA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574137497 949763720 /nfs/dbraw/zinc/76/37/20/949763720.db2.gz VAONAKGKXRHAOV-AUUYWEPGSA-N 0 1 386.504 1.801 20 0 GDADMN CC(C)(C)[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)CCc1cnc[nH]1 ZINC001573823244 949819205 /nfs/dbraw/zinc/81/92/05/949819205.db2.gz SEDSTYWILHLYHR-CQSZACIVSA-N 0 1 383.460 1.560 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001574142201 949865331 /nfs/dbraw/zinc/86/53/31/949865331.db2.gz XEFOBXIKOTYCNK-ZTFGCOKTSA-N 0 1 386.500 1.600 20 0 GDADMN C[C@@H](CN(C)C(=O)CCn1cccc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574724575 949871633 /nfs/dbraw/zinc/87/16/33/949871633.db2.gz HQLXNNUBBQSPOE-AWEZNQCLSA-N 0 1 385.447 1.834 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574725869 949914904 /nfs/dbraw/zinc/91/49/04/949914904.db2.gz VMVWMFMTNOCMHP-SECBINFHSA-N 0 1 386.913 1.576 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574725869 949914921 /nfs/dbraw/zinc/91/49/21/949914921.db2.gz VMVWMFMTNOCMHP-SECBINFHSA-N 0 1 386.913 1.576 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575890422 949950979 /nfs/dbraw/zinc/95/09/79/949950979.db2.gz XNZZUCDBWROURQ-RKDXNWHRSA-N 0 1 389.807 1.085 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575890420 949951263 /nfs/dbraw/zinc/95/12/63/949951263.db2.gz XNZZUCDBWROURQ-DTWKUNHWSA-N 0 1 389.807 1.085 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180678 949971838 /nfs/dbraw/zinc/97/18/38/949971838.db2.gz QGQYZPWYQBGXKN-BXUZGUMPSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181295 949998146 /nfs/dbraw/zinc/99/81/46/949998146.db2.gz HFSDALYQEBUDRW-ZIAGYGMSSA-N 0 1 380.456 1.151 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574490762 950018855 /nfs/dbraw/zinc/01/88/55/950018855.db2.gz YHLSSVXJXOAHPS-RDBSUJKOSA-N 0 1 384.488 1.909 20 0 GDADMN 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ZINC001573836221 950073000 /nfs/dbraw/zinc/07/30/00/950073000.db2.gz HDCLESXGHQCNIT-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ncc[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574732988 950084080 /nfs/dbraw/zinc/08/40/80/950084080.db2.gz ORBNZUQPVFICEQ-SSDOTTSWSA-N 0 1 381.853 1.201 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574152876 950123453 /nfs/dbraw/zinc/12/34/53/950123453.db2.gz LBDWAVHOVJEUKN-WBVHZDCISA-N 0 1 388.520 1.791 20 0 GDADMN C[C@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001574493294 950124070 /nfs/dbraw/zinc/12/40/70/950124070.db2.gz RZBAOYOQZVEYBK-CQSZACIVSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@@H](N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cc(F)ccc1F ZINC001574979212 950152852 /nfs/dbraw/zinc/15/28/52/950152852.db2.gz XNNPZOFKIWYZLO-VHSXEESVSA-N 0 1 375.383 1.942 20 0 GDADMN CC1(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCC1 ZINC001575583765 950153240 /nfs/dbraw/zinc/15/32/40/950153240.db2.gz 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CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574155576 950204190 /nfs/dbraw/zinc/20/41/90/950204190.db2.gz OFIZGVBVYHLHNU-QWRGUYRKSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@@H]1[C@@H](NCc2cc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575900925 950211021 /nfs/dbraw/zinc/21/10/21/950211021.db2.gz JQPIXGNMXZSPFK-YGRLFVJLSA-N 0 1 382.428 1.453 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCOC1 ZINC001575589898 950271576 /nfs/dbraw/zinc/27/15/76/950271576.db2.gz YQGLUUQHKSVKGQ-KUHUBIRLSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCOC1 ZINC001575589898 950271598 /nfs/dbraw/zinc/27/15/98/950271598.db2.gz YQGLUUQHKSVKGQ-KUHUBIRLSA-N 0 1 388.447 1.371 20 0 GDADMN CCN(C)Cc1cc(O[C@@H]2CC[N@H+](CC3(O)CCC(C(=O)[O-])CC3)C2)ccn1 ZINC001589715148 950370962 /nfs/dbraw/zinc/37/09/62/950370962.db2.gz NJUHQMDSRDIJMH-IPFXWSOASA-N 0 1 391.512 1.992 20 0 GDADMN CCN(C)Cc1cc(O[C@@H]2CC[N@@H+](CC3(O)CCC(C(=O)[O-])CC3)C2)ccn1 ZINC001589715148 950370977 /nfs/dbraw/zinc/37/09/77/950370977.db2.gz NJUHQMDSRDIJMH-IPFXWSOASA-N 0 1 391.512 1.992 20 0 GDADMN C[C@@]1(C(=O)NCC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575596495 950380445 /nfs/dbraw/zinc/38/04/45/950380445.db2.gz SVNSZSARJPUZOM-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NCC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575596495 950380465 /nfs/dbraw/zinc/38/04/65/950380465.db2.gz SVNSZSARJPUZOM-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NCC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575596495 950380489 /nfs/dbraw/zinc/38/04/89/950380489.db2.gz SVNSZSARJPUZOM-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NCC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575596495 950380511 /nfs/dbraw/zinc/38/05/11/950380511.db2.gz SVNSZSARJPUZOM-SCLBCKFNSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576197505 950396901 /nfs/dbraw/zinc/39/69/01/950396901.db2.gz PBWASVFTEKNOKX-AWEZNQCLSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576197505 950396920 /nfs/dbraw/zinc/39/69/20/950396920.db2.gz PBWASVFTEKNOKX-AWEZNQCLSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576199179 950419442 /nfs/dbraw/zinc/41/94/42/950419442.db2.gz XCEDOSBNXWVZMB-KBPBESRZSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576199179 950419448 /nfs/dbraw/zinc/41/94/48/950419448.db2.gz XCEDOSBNXWVZMB-KBPBESRZSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575597899 950422859 /nfs/dbraw/zinc/42/28/59/950422859.db2.gz ZTXBOOCHNLIRGS-IQUTYRLHSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574504014 950422919 /nfs/dbraw/zinc/42/29/19/950422919.db2.gz ZHEWYVUEVJJOLV-KSSFIOAISA-N 0 1 384.484 1.620 20 0 GDADMN CC1CCN(CC(=O)NC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C2CC2)CC1 ZINC001576204703 950474040 /nfs/dbraw/zinc/47/40/40/950474040.db2.gz ARIXJVCUUDGGFZ-INIZCTEOSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574509495 950512732 /nfs/dbraw/zinc/51/27/32/950512732.db2.gz VNXKKNCKSXIFEK-KFWWJZLASA-N 0 1 380.456 1.443 20 0 GDADMN C[C@@H](NC(=O)CN1CCC(C)CC1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205502 950524478 /nfs/dbraw/zinc/52/44/78/950524478.db2.gz ZGANEUVGAHSJOB-CHWSQXEVSA-N 0 1 390.467 1.438 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cccc(Cl)c1F ZINC001574996684 950531377 /nfs/dbraw/zinc/53/13/77/950531377.db2.gz OIYIQPKIDOIZJS-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN CC[N@@H+](Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1)C(C)C ZINC001589736092 950532213 /nfs/dbraw/zinc/53/22/13/950532213.db2.gz DHBOIBMICGYACH-INIZCTEOSA-N 0 1 382.482 1.241 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576205894 950544401 /nfs/dbraw/zinc/54/44/01/950544401.db2.gz QZLQFCQJUQYOFG-KGLIPLIRSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576205894 950544411 /nfs/dbraw/zinc/54/44/11/950544411.db2.gz QZLQFCQJUQYOFG-KGLIPLIRSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574998889 950562032 /nfs/dbraw/zinc/56/20/32/950562032.db2.gz CAZHWZMYHCRFHS-QMMMGPOBSA-N 0 1 377.359 1.177 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575616900 950592236 /nfs/dbraw/zinc/59/22/36/950592236.db2.gz TVICVYOQNCPJLE-RYUDHWBXSA-N 0 1 382.472 1.519 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513483 950610860 /nfs/dbraw/zinc/61/08/60/950610860.db2.gz 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C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575005553 950687803 /nfs/dbraw/zinc/68/78/03/950687803.db2.gz HQNYQPPJPUIXDC-LBPRGKRZSA-N 0 1 381.444 1.049 20 0 GDADMN CC(C)n1cnc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001574761189 950695862 /nfs/dbraw/zinc/69/58/62/950695862.db2.gz SGEHWRSRWPMYMZ-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1cnc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001574761189 950695875 /nfs/dbraw/zinc/69/58/75/950695875.db2.gz SGEHWRSRWPMYMZ-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cscc1Cl ZINC001575925878 950697904 /nfs/dbraw/zinc/69/79/04/950697904.db2.gz VTUWICCFEQLRDQ-KWQFWETISA-N 0 1 390.860 1.509 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576215915 950718558 /nfs/dbraw/zinc/71/85/58/950718558.db2.gz CFIXPPPQYJCFAF-MNOVXSKESA-N 0 1 392.414 1.020 20 0 GDADMN C[C@H](CN(C)C(=O)c1cncs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574763672 950727219 /nfs/dbraw/zinc/72/72/19/950727219.db2.gz HXBHIOVRIUWPOM-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H]1[C@@H](O)CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001576216363 950731053 /nfs/dbraw/zinc/73/10/53/950731053.db2.gz HXUIIJCZQOYSBF-GVXVVHGQSA-N 0 1 390.513 1.837 20 0 GDADMN C[C@H]1[C@@H](O)CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001576216363 950731058 /nfs/dbraw/zinc/73/10/58/950731058.db2.gz HXUIIJCZQOYSBF-GVXVVHGQSA-N 0 1 390.513 1.837 20 0 GDADMN C[C@H](CC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001574520579 950737796 /nfs/dbraw/zinc/73/77/96/950737796.db2.gz UXAWJORTUZWLST-UHYGZKCKSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576216677 950741935 /nfs/dbraw/zinc/74/19/35/950741935.db2.gz FEXSYVQRDJFDHD-NWDGAFQWSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COCC1CCCC1 ZINC001575927336 950743100 /nfs/dbraw/zinc/74/31/00/950743100.db2.gz PGTSFBHDTSBEDC-CZUORRHYSA-N 0 1 385.472 1.292 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cncn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574764522 950750908 /nfs/dbraw/zinc/75/09/08/950750908.db2.gz UYYLMKBMQQIDIB-ZETCQYMHSA-N 0 1 381.853 1.283 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(F)c(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001575631038 950771251 /nfs/dbraw/zinc/77/12/51/950771251.db2.gz ITOSLZZYSFZAFS-QLPKVWCKSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575928088 950771970 /nfs/dbraw/zinc/77/19/70/950771970.db2.gz YLBFHFLXZIUZPC-ZWNOBZJWSA-N 0 1 380.412 1.264 20 0 GDADMN CC(C)(C)c1ccccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884004 950776536 /nfs/dbraw/zinc/77/65/36/950776536.db2.gz BZJLGPZWKLKBCZ-CYBMUJFWSA-N 0 1 392.467 1.703 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575633726 950815908 /nfs/dbraw/zinc/81/59/08/950815908.db2.gz USQRXYPXRPTEPQ-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](CN(C)C(=O)c1n[nH]cc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574766898 950835729 /nfs/dbraw/zinc/83/57/29/950835729.db2.gz OASSLKYUHPZEDQ-SECBINFHSA-N 0 1 376.371 1.118 20 0 GDADMN CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001590208090 950885591 /nfs/dbraw/zinc/88/55/91/950885591.db2.gz HRIOOLONWSPNPX-OKZBNKHCSA-N 0 1 388.464 1.588 20 0 GDADMN CCOC(=O)C1CCC(O)(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)CC1 ZINC001590208413 950888086 /nfs/dbraw/zinc/88/80/86/950888086.db2.gz LRFKEFURYZEXJW-QNBXZPKWSA-N 0 1 393.484 1.395 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc(F)ccc1Cl ZINC001575017038 950971146 /nfs/dbraw/zinc/97/11/46/950971146.db2.gz GJRMOGVQJVVRKG-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccncc1-c1nn[nH]n1 ZINC001575017311 950986665 /nfs/dbraw/zinc/98/66/65/950986665.db2.gz CZKCLICIWJWEMV-SECBINFHSA-N 0 1 377.355 1.692 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccncc2-c2nn[nH]n2)CCO1 ZINC001575938757 950990544 /nfs/dbraw/zinc/99/05/44/950990544.db2.gz NCNDNFYSHKRUIB-KBPBESRZSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574773953 950995980 /nfs/dbraw/zinc/99/59/80/950995980.db2.gz AASDPRAUTQUIIZ-DJJJIMSYSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575024097 951090410 /nfs/dbraw/zinc/09/04/10/951090410.db2.gz USWLFDWPMYKRKO-SECBINFHSA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024295 951098420 /nfs/dbraw/zinc/09/84/20/951098420.db2.gz ACHCWLSHPJPORQ-CYBMUJFWSA-N 0 1 392.467 1.790 20 0 GDADMN C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccncc1-c1nn[nH]n1 ZINC001575025138 951125399 /nfs/dbraw/zinc/12/53/99/951125399.db2.gz VVKGIVJVVBKMCD-ZDUSSCGKSA-N 0 1 380.456 1.228 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)cc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025498 951130946 /nfs/dbraw/zinc/13/09/46/951130946.db2.gz ZRZZRKFKBDSFOM-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN CCOC(=O)c1sc([C@@H]2CC[N@@H+]([C@@H]3CCN(CC(=O)[O-])C3=O)C2)nc1C ZINC001591426626 951139709 /nfs/dbraw/zinc/13/97/09/951139709.db2.gz SCASEBAJAAWBAC-VXGBXAGGSA-N 0 1 381.454 1.103 20 0 GDADMN CCOC(=O)c1sc([C@@H]2CC[N@H+]([C@@H]3CCN(CC(=O)[O-])C3=O)C2)nc1C ZINC001591426626 951139718 /nfs/dbraw/zinc/13/97/18/951139718.db2.gz SCASEBAJAAWBAC-VXGBXAGGSA-N 0 1 381.454 1.103 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c(C(=O)[O-])c1C ZINC001591467034 951152375 /nfs/dbraw/zinc/15/23/75/951152375.db2.gz UIZLRLKUOBCSFV-SFHVURJKSA-N 0 1 396.465 1.982 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c(C(=O)[O-])c1C ZINC001591467034 951152383 /nfs/dbraw/zinc/15/23/83/951152383.db2.gz UIZLRLKUOBCSFV-SFHVURJKSA-N 0 1 396.465 1.982 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2n[nH]cc21)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575027986 951165061 /nfs/dbraw/zinc/16/50/61/951165061.db2.gz KJGYHJACQZBDJS-JTQLQIEISA-N 0 1 382.453 1.713 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2n[nH]cc21)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575027986 951165067 /nfs/dbraw/zinc/16/50/67/951165067.db2.gz KJGYHJACQZBDJS-JTQLQIEISA-N 0 1 382.453 1.713 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575028204 951169866 /nfs/dbraw/zinc/16/98/66/951169866.db2.gz MDCISCJZEZMTHZ-LBPRGKRZSA-N 0 1 379.424 1.451 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575042640 951367290 /nfs/dbraw/zinc/36/72/90/951367290.db2.gz ASVOOPNQZYCRPN-NSHDSACASA-N 0 1 381.444 1.002 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575056326 951518399 /nfs/dbraw/zinc/51/83/99/951518399.db2.gz HMDJLKGTKBIUCT-JTQLQIEISA-N 0 1 383.416 1.167 20 0 GDADMN C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575062794 951571695 /nfs/dbraw/zinc/57/16/95/951571695.db2.gz YMZSRJFOLZSIFO-MRVPVSSYSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@H](CNC(=O)c1nccc2occc21)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575065986 951592465 /nfs/dbraw/zinc/59/24/65/951592465.db2.gz CWLJPPQCHOHRNT-SNVBAGLBSA-N 0 1 383.437 1.978 20 0 GDADMN C[C@H](CNC(=O)c1nccc2occc21)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575065986 951592476 /nfs/dbraw/zinc/59/24/76/951592476.db2.gz CWLJPPQCHOHRNT-SNVBAGLBSA-N 0 1 383.437 1.978 20 0 GDADMN C[C@@H](CNC(=O)c1ncsc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067232 951607030 /nfs/dbraw/zinc/60/70/30/951607030.db2.gz OUSZJHFRLZBEMW-JTQLQIEISA-N 0 1 384.469 1.850 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1F)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575067878 951625121 /nfs/dbraw/zinc/62/51/21/951625121.db2.gz QFNQRPHWMKJVLY-LURJTMIESA-N 0 1 382.812 1.741 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575089524 951750353 /nfs/dbraw/zinc/75/03/53/951750353.db2.gz GJYTXHPBUFUOSS-KDOFPFPSSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001575089524 951750358 /nfs/dbraw/zinc/75/03/58/951750358.db2.gz GJYTXHPBUFUOSS-KDOFPFPSSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575091091 951767772 /nfs/dbraw/zinc/76/77/72/951767772.db2.gz PBPSDZQTDVBJEH-KBPBESRZSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)c1ncccc1[O-] ZINC001575091425 951775528 /nfs/dbraw/zinc/77/55/28/951775528.db2.gz QVKYUCSMCNMNEJ-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099003 951827242 /nfs/dbraw/zinc/82/72/42/951827242.db2.gz GVGOMKKFXYGQAJ-RYUDHWBXSA-N 0 1 388.501 1.307 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099003 951827247 /nfs/dbraw/zinc/82/72/47/951827247.db2.gz GVGOMKKFXYGQAJ-RYUDHWBXSA-N 0 1 388.501 1.307 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099002 951827745 /nfs/dbraw/zinc/82/77/45/951827745.db2.gz GVGOMKKFXYGQAJ-NWDGAFQWSA-N 0 1 388.501 1.307 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099002 951827754 /nfs/dbraw/zinc/82/77/54/951827754.db2.gz GVGOMKKFXYGQAJ-NWDGAFQWSA-N 0 1 388.501 1.307 20 0 GDADMN C[C@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099289 951831817 /nfs/dbraw/zinc/83/18/17/951831817.db2.gz JQNSLCFQWIKZGN-LBPRGKRZSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099289 951831826 /nfs/dbraw/zinc/83/18/26/951831826.db2.gz JQNSLCFQWIKZGN-LBPRGKRZSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cncs1 ZINC001575099606 951836634 /nfs/dbraw/zinc/83/66/34/951836634.db2.gz NZEQTSRAULMNRW-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cncs1 ZINC001575099606 951836641 /nfs/dbraw/zinc/83/66/41/951836641.db2.gz NZEQTSRAULMNRW-NSHDSACASA-N 0 1 391.526 1.954 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575100916 951849817 /nfs/dbraw/zinc/84/98/17/951849817.db2.gz WQFXIDLAKHYWIM-CHWSQXEVSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575100916 951849827 /nfs/dbraw/zinc/84/98/27/951849827.db2.gz WQFXIDLAKHYWIM-CHWSQXEVSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn2cc[nH]c12 ZINC001575101273 951855642 /nfs/dbraw/zinc/85/56/42/951855642.db2.gz BJTIYGYWIYFKJY-JTQLQIEISA-N 0 1 385.457 1.154 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn2cc[nH]c12 ZINC001575101273 951855647 /nfs/dbraw/zinc/85/56/47/951855647.db2.gz BJTIYGYWIYFKJY-JTQLQIEISA-N 0 1 385.457 1.154 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ncccc1F ZINC001575101532 951862077 /nfs/dbraw/zinc/86/20/77/951862077.db2.gz GTOKNTIGTOZFJY-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ncccc1F ZINC001575101532 951862082 /nfs/dbraw/zinc/86/20/82/951862082.db2.gz GTOKNTIGTOZFJY-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](CNCc1nc2c(o1)CCCC2)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575118328 951984141 /nfs/dbraw/zinc/98/41/41/951984141.db2.gz SNGRQMTVRATJBB-LLVKDONJSA-N 0 1 384.444 1.217 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575142826 952150249 /nfs/dbraw/zinc/15/02/49/952150249.db2.gz MLWTWWKCMWUVKE-MRXNPFEDSA-N 0 1 388.819 1.336 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575145392 952183054 /nfs/dbraw/zinc/18/30/54/952183054.db2.gz XAHBRYLTRYOEES-ZDUSSCGKSA-N 0 1 380.456 1.315 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575145499 952185745 /nfs/dbraw/zinc/18/57/45/952185745.db2.gz YSEZNFSIMNXGMR-IBGZPJMESA-N 0 1 380.456 1.272 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575145622 952187730 /nfs/dbraw/zinc/18/77/30/952187730.db2.gz BGJSIMPIXMSJDM-NSHDSACASA-N 0 1 383.460 1.277 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575146618 952195421 /nfs/dbraw/zinc/19/54/21/952195421.db2.gz MHPSFANOTGGUFJ-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575147451 952199767 /nfs/dbraw/zinc/19/97/67/952199767.db2.gz UDCDKCWNTFGRGV-KWCYVHTRSA-N 0 1 383.481 1.808 20 0 GDADMN C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575158465 952271850 /nfs/dbraw/zinc/27/18/50/952271850.db2.gz VQWLABILGDQBOO-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575158465 952271854 /nfs/dbraw/zinc/27/18/54/952271854.db2.gz VQWLABILGDQBOO-AWEZNQCLSA-N 0 1 387.492 1.182 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H](C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CC(F)(F)F ZINC001602895610 971820796 /nfs/dbraw/zinc/82/07/96/971820796.db2.gz LRMNTLOPLDJUKJ-RWSFTLGLSA-N 0 1 382.379 1.865 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)Cc1cnoc1 ZINC001575164999 952302978 /nfs/dbraw/zinc/30/29/78/952302978.db2.gz JDNSULOOWGKZHT-ZETCQYMHSA-N 0 1 382.837 1.466 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575166412 952325790 /nfs/dbraw/zinc/32/57/90/952325790.db2.gz VWJITDLXDCYPAA-ZETCQYMHSA-N 0 1 381.853 1.201 20 0 GDADMN O=C([C@H]1CC1(F)F)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571115026 952463212 /nfs/dbraw/zinc/46/32/12/952463212.db2.gz QHWXKDNKDDKRFA-MLGOLLRUSA-N 0 1 375.383 1.346 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575202015 952509982 /nfs/dbraw/zinc/50/99/82/952509982.db2.gz LYOPKCIRDARVBP-SNVBAGLBSA-N 0 1 389.851 1.387 20 0 GDADMN C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123075 952527649 /nfs/dbraw/zinc/52/76/49/952527649.db2.gz NPXLIHKVESNWML-LDYMZIIASA-N 0 1 376.471 1.030 20 0 GDADMN C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571123075 952527658 /nfs/dbraw/zinc/52/76/58/952527658.db2.gz NPXLIHKVESNWML-LDYMZIIASA-N 0 1 376.471 1.030 20 0 GDADMN C[C@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001571124031 952533900 /nfs/dbraw/zinc/53/39/00/952533900.db2.gz XRTKJGLPRXXYTF-PRXAMGSTSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001571124031 952533904 /nfs/dbraw/zinc/53/39/04/952533904.db2.gz XRTKJGLPRXXYTF-PRXAMGSTSA-N 0 1 376.486 1.339 20 0 GDADMN Cc1ccc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1C ZINC001571134135 952585718 /nfs/dbraw/zinc/58/57/18/952585718.db2.gz FBTJMNNOKWJGIS-UHFFFAOYSA-N 0 1 378.440 1.411 20 0 GDADMN CCc1ccc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571134598 952592810 /nfs/dbraw/zinc/59/28/10/952592810.db2.gz HNGKUJNDBYHVRY-AWEZNQCLSA-N 0 1 378.440 1.475 20 0 GDADMN CCN(C(=O)c1cncnc1)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134888 952596428 /nfs/dbraw/zinc/59/64/28/952596428.db2.gz MUDIJCUCELLWON-KRWDZBQOSA-N 0 1 378.440 1.393 20 0 GDADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000383158154 971853045 /nfs/dbraw/zinc/85/30/45/971853045.db2.gz OBRFHRGPMGYXMX-CQSZACIVSA-N 0 1 395.506 1.984 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccc(=O)[nH]1 ZINC001571141180 952631661 /nfs/dbraw/zinc/63/16/61/952631661.db2.gz IDFWVSJGUPEJDY-HNNXBMFYSA-N 0 1 379.424 1.362 20 0 GDADMN Cc1cnccc1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571146284 952648427 /nfs/dbraw/zinc/64/84/27/952648427.db2.gz FNMODUWDEFVSRQ-ZDUSSCGKSA-N 0 1 379.428 1.149 20 0 GDADMN Cc1nc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2ccn[nH]2)C3)ccc1-c1nn[nH]n1 ZINC001571147264 952660023 /nfs/dbraw/zinc/66/00/23/952660023.db2.gz WDWDZQPSQGBUPA-AVGNSLFASA-N 0 1 379.428 1.398 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571147347 952660971 /nfs/dbraw/zinc/66/09/71/952660971.db2.gz KQFTYHNMZXLLJB-SFHVURJKSA-N 0 1 379.428 1.036 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571153347 952686450 /nfs/dbraw/zinc/68/64/50/952686450.db2.gz PBBSHKQABQXSSH-SSDOTTSWSA-N 0 1 379.837 1.017 20 0 GDADMN CN(C(=O)c1ccn[nH]1)[C@H]1CCN(c2nc(Cl)c(-c3nn[nH]n3)s2)C1 ZINC001571153624 952687229 /nfs/dbraw/zinc/68/72/29/952687229.db2.gz SBUGDLNAXKOBCC-ZETCQYMHSA-N 0 1 379.837 1.051 20 0 GDADMN O=C(c1cocn1)N1CCC[C@H]2CN(c3ccncc3-c3nn[nH]n3)CC[C@@H]21 ZINC001571162476 952744269 /nfs/dbraw/zinc/74/42/69/952744269.db2.gz VDWMZBRQFMITPE-WFASDCNBSA-N 0 1 380.412 1.381 20 0 GDADMN C[C@H]1CC[C@H](NC(=O)c2cnn(C)c2)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571165929 952755875 /nfs/dbraw/zinc/75/58/75/952755875.db2.gz JAUJIVKQTLNLRE-GUYCJALGSA-N 0 1 380.456 1.383 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571166251 952759939 /nfs/dbraw/zinc/75/99/39/952759939.db2.gz KQIDESSVBDLYDQ-OAHLLOKOSA-N 0 1 380.456 1.648 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571166250 952760136 /nfs/dbraw/zinc/76/01/36/952760136.db2.gz KQIDESSVBDLYDQ-HNNXBMFYSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571167082 952769832 /nfs/dbraw/zinc/76/98/32/952769832.db2.gz VDGMCHPMYVLPOF-CXAGYDPISA-N 0 1 380.456 1.375 20 0 GDADMN CCCc1cc(C(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)n[nH]1 ZINC001571167225 952771087 /nfs/dbraw/zinc/77/10/87/952771087.db2.gz ZBAWBMHQVJVJHA-UHFFFAOYSA-N 0 1 380.456 1.500 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571169416 952773897 /nfs/dbraw/zinc/77/38/97/952773897.db2.gz BZLGFLDKAYETTP-KGLIPLIRSA-N 0 1 380.456 1.293 20 0 GDADMN CCn1cccc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571169926 952780762 /nfs/dbraw/zinc/78/07/62/952780762.db2.gz QXHRVVABOACJTK-DZGCQCFKSA-N 0 1 380.456 1.529 20 0 GDADMN Cc1ncccc1CN1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C ZINC001571172075 952801505 /nfs/dbraw/zinc/80/15/05/952801505.db2.gz LONUUCBYVOJIII-MLGOLLRUSA-N 0 1 380.456 1.681 20 0 GDADMN Cc1ncoc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571179678 952856929 /nfs/dbraw/zinc/85/69/29/952856929.db2.gz JHEMHABQRAHGNG-HNNXBMFYSA-N 0 1 381.440 1.757 20 0 GDADMN Cc1nocc1C(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180617 952861300 /nfs/dbraw/zinc/86/13/00/952861300.db2.gz RAJYGBODNNAKMT-DOMZBBRYSA-N 0 1 381.440 1.946 20 0 GDADMN COc1cccc(CN2CC[C@H](N(C)C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571183146 952873758 /nfs/dbraw/zinc/87/37/58/952873758.db2.gz QAILRWVLRVZKLD-HNNXBMFYSA-N 0 1 381.440 1.550 20 0 GDADMN O=C(Cc1cccc(F)c1)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571183236 952875020 /nfs/dbraw/zinc/87/50/20/952875020.db2.gz UBJLAICJRICEMA-CQSZACIVSA-N 0 1 381.415 1.326 20 0 GDADMN CCCc1[nH]ccc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571183473 952878793 /nfs/dbraw/zinc/87/87/93/952878793.db2.gz BEECZYGKNFQOQY-NEPJUHHUSA-N 0 1 381.444 1.074 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184046 952887154 /nfs/dbraw/zinc/88/71/54/952887154.db2.gz PCSPXBKJWMCSMS-JOCQHMNTSA-N 0 1 381.444 1.082 20 0 GDADMN CC[C@@H]1CN(C(=O)c2cc[nH]c2C)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571184023 952887538 /nfs/dbraw/zinc/88/75/38/952887538.db2.gz OOQWVJSHZHZYAM-OCCSQVGLSA-N 0 1 381.444 1.068 20 0 GDADMN C[C@H](NC(=O)c1ccn(C)c1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184243 952890453 /nfs/dbraw/zinc/89/04/53/952890453.db2.gz UOTCFBUAQLEIEN-STQMWFEESA-N 0 1 381.444 1.030 20 0 GDADMN C[C@@H](NC(=O)c1cn(C)cn1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571184847 952898106 /nfs/dbraw/zinc/89/81/06/952898106.db2.gz FJJGERMYEBPJJE-GFCCVEGCSA-N 0 1 381.444 1.030 20 0 GDADMN Cc1[nH]nc(C(=O)N2CC[C@@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)c1C ZINC001571185583 952902380 /nfs/dbraw/zinc/90/23/80/952902380.db2.gz NLAUPZKDQZMDBA-ZDUSSCGKSA-N 0 1 381.444 1.200 20 0 GDADMN Cc1nc[nH]c1C(=O)N1CCC[C@@H](C)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571186825 952909429 /nfs/dbraw/zinc/90/94/29/952909429.db2.gz ZZSTXLIERPHSBT-IAQYHMDHSA-N 0 1 381.444 1.068 20 0 GDADMN Cc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188390 952914886 /nfs/dbraw/zinc/91/48/86/952914886.db2.gz KDJWJGOTMQFOOC-QWHCGFSZSA-N 0 1 381.444 1.034 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)n1 ZINC001571188585 952917430 /nfs/dbraw/zinc/91/74/30/952917430.db2.gz LKOCQNVCYXXVDX-ZDUSSCGKSA-N 0 1 381.444 1.186 20 0 GDADMN Cc1c[nH]c(C(=O)NC2CCC(Nc3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)n1 ZINC001571189558 952931059 /nfs/dbraw/zinc/93/10/59/952931059.db2.gz XJQTWURVHJOSQE-UHFFFAOYSA-N 0 1 381.444 1.177 20 0 GDADMN COc1cc(Cl)c(F)cc1NC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001571191670 952946629 /nfs/dbraw/zinc/94/66/29/952946629.db2.gz QEEMVPMMDNRDLS-UHFFFAOYSA-N 0 1 381.759 1.081 20 0 GDADMN Cc1ccc(F)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1 ZINC001571196032 952978633 /nfs/dbraw/zinc/97/86/33/952978633.db2.gz GUVSZJRVGFQXDG-FZMZJTMJSA-N 0 1 382.403 1.241 20 0 GDADMN CN(Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571197241 952987676 /nfs/dbraw/zinc/98/76/76/952987676.db2.gz UWCCIJDCUCEFLS-ZDUSSCGKSA-N 0 1 382.403 1.142 20 0 GDADMN CCc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)no1 ZINC001571199411 952999259 /nfs/dbraw/zinc/99/92/59/952999259.db2.gz QALCDALYWLCSQQ-TXEJJXNPSA-N 0 1 382.428 1.163 20 0 GDADMN CC1(C)CN(c2ccncc2-c2nn[nH]n2)CC[C@@H]1NC(=O)Cc1ccon1 ZINC001571199757 953004014 /nfs/dbraw/zinc/00/40/14/953004014.db2.gz BJQJDHDJDYZMCG-HNNXBMFYSA-N 0 1 382.428 1.214 20 0 GDADMN Cc1cc(C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)oc1C ZINC001571200543 953010018 /nfs/dbraw/zinc/01/00/18/953010018.db2.gz DHEKOTCVLJSPJM-UHFFFAOYSA-N 0 1 382.428 1.513 20 0 GDADMN Cc1conc1C(=O)N1CC[C@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571201343 953015958 /nfs/dbraw/zinc/01/59/58/953015958.db2.gz KGLUGCMWRJIVGO-WCQYABFASA-N 0 1 382.428 1.190 20 0 GDADMN Cc1nocc1C(=O)N1CCCC[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571206339 953050141 /nfs/dbraw/zinc/05/01/41/953050141.db2.gz OOUXDMCSKSFKLJ-ZDUSSCGKSA-N 0 1 382.428 1.477 20 0 GDADMN Cc1nocc1C(=O)N1CCCC[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571206337 953050467 /nfs/dbraw/zinc/05/04/67/953050467.db2.gz OOUXDMCSKSFKLJ-CYBMUJFWSA-N 0 1 382.428 1.477 20 0 GDADMN O=C(NC[C@H]1CC[C@H](CNc2ccc(-c3nn[nH]n3)nc2)CC1)c1ncn[nH]1 ZINC001571210549 953072190 /nfs/dbraw/zinc/07/21/90/953072190.db2.gz SBFZZMZJQQJGPZ-HAQNSBGRSA-N 0 1 382.432 1.028 20 0 GDADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1CNC(=O)C1=CCCCCC1 ZINC001571211592 953078252 /nfs/dbraw/zinc/07/82/52/953078252.db2.gz CNIQQYWAXBJIFM-UKRRQHHQSA-N 0 1 382.472 1.736 20 0 GDADMN O=C([C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1)N1CCN(C2CCOCC2)CC1 ZINC001571214023 953098765 /nfs/dbraw/zinc/09/87/65/953098765.db2.gz VGTPZNWCXSVSLK-ZWKOTPCHSA-N 0 1 382.468 1.293 20 0 GDADMN O=C(NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001571218449 953115033 /nfs/dbraw/zinc/11/50/33/953115033.db2.gz OAHZSXIHJDTAEX-ZNMIVQPWSA-N 0 1 382.472 1.426 20 0 GDADMN COCc1ccc(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571219231 953123970 /nfs/dbraw/zinc/12/39/70/953123970.db2.gz MWZRMGWMIIFZCU-HAQNSBGRSA-N 0 1 383.412 1.104 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571230299 953175940 /nfs/dbraw/zinc/17/59/40/953175940.db2.gz UDJJDQHRPMVTIU-PXAZEXFGSA-N 0 1 383.431 1.737 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)C3=COCCC3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233372 953192316 /nfs/dbraw/zinc/19/23/16/953192316.db2.gz SZTYGCJBZYLTIH-HIFRSBDPSA-N 0 1 383.456 1.478 20 0 GDADMN CCC(=O)N1CC[C@@]2(C1)CN(c1nc(-c3nn[nH]n3)c(Cl)s1)CCO2 ZINC001571235036 953207495 /nfs/dbraw/zinc/20/74/95/953207495.db2.gz QRXUTVSDYLGPTL-CQSZACIVSA-N 0 1 383.865 1.194 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]21)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571235308 953211304 /nfs/dbraw/zinc/21/13/04/953211304.db2.gz ZTYITSSTHGQBNB-FOLVSLTJSA-N 0 1 383.843 1.708 20 0 GDADMN CN(C(=O)c1cnn(C)c1)[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239173 953236416 /nfs/dbraw/zinc/23/64/16/953236416.db2.gz HFUUHJRDKPBAEV-HNNXBMFYSA-N 0 1 384.419 1.086 20 0 GDADMN CCn1cc(C(=O)N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)cn1 ZINC001571239669 953241160 /nfs/dbraw/zinc/24/11/60/953241160.db2.gz PKSATYWCSDHMCI-HNNXBMFYSA-N 0 1 384.419 1.227 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1)c1cn[nH]c1 ZINC001571241458 953246247 /nfs/dbraw/zinc/24/62/47/953246247.db2.gz ABHYBGLOVZAHPZ-OAHLLOKOSA-N 0 1 384.419 1.513 20 0 GDADMN CC1(C)CC(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)C1 ZINC001571249109 953300434 /nfs/dbraw/zinc/30/04/34/953300434.db2.gz DHPCGALCNUXDBH-CYBMUJFWSA-N 0 1 384.488 1.814 20 0 GDADMN O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1)C1CCOCC1 ZINC001571249754 953306486 /nfs/dbraw/zinc/30/64/86/953306486.db2.gz LMEBNCJIXCNRQE-KRWDZBQOSA-N 0 1 384.484 1.764 20 0 GDADMN CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571250826 953313828 /nfs/dbraw/zinc/31/38/28/953313828.db2.gz TTXQWMUSTDLLRJ-KUHUBIRLSA-N 0 1 384.488 1.411 20 0 GDADMN O=C(CC1CCCCC1)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571251481 953317672 /nfs/dbraw/zinc/31/76/72/953317672.db2.gz YOTJQYREPLEKBF-MSOLQXFVSA-N 0 1 384.484 1.498 20 0 GDADMN O=C(c1ccncc1F)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571255057 953345277 /nfs/dbraw/zinc/34/52/77/953345277.db2.gz HCUPCBWRBNOUGD-ZDUSSCGKSA-N 0 1 385.378 1.544 20 0 GDADMN C[C@H](Nc1ncc(-c2nn[nH]n2)cc1F)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001571255439 953348640 /nfs/dbraw/zinc/34/86/40/953348640.db2.gz PLYRFELPGBKMIL-JTQLQIEISA-N 0 1 385.407 1.477 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC001589273659 953439397 /nfs/dbraw/zinc/43/93/97/953439397.db2.gz DZWRCMAOZZSICR-BZUAXINKSA-N 0 1 394.541 1.789 20 0 GDADMN CCc1ccc([C@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)[NH+](C)C)cc1 ZINC001593636637 953612817 /nfs/dbraw/zinc/61/28/17/953612817.db2.gz GVUGJBQDPMBQSD-KRWDZBQOSA-N 0 1 383.514 1.483 20 0 GDADMN Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000566796544 953628253 /nfs/dbraw/zinc/62/82/53/953628253.db2.gz IGFAVCDPIZRWLB-KGLIPLIRSA-N 0 1 397.497 1.369 20 0 GDADMN O=C(C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)NC[C@H]1Cc2ccccc2O1 ZINC000575311479 953684540 /nfs/dbraw/zinc/68/45/40/953684540.db2.gz IGNWDNKFKIZRAL-CEXWTWQISA-N 0 1 380.444 1.907 20 0 GDADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000583812072 953730757 /nfs/dbraw/zinc/73/07/57/953730757.db2.gz PDDIGUMAAYVKQU-RYUDHWBXSA-N 0 1 377.397 1.291 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCc2ccc(COC(C)C)cc2)C1 ZINC000635019254 953871743 /nfs/dbraw/zinc/87/17/43/953871743.db2.gz BRQYRWUQIUHJCJ-HXUWFJFHSA-N 0 1 378.469 1.651 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000650498183 954013936 /nfs/dbraw/zinc/01/39/36/954013936.db2.gz JIONTBWUXXPUDJ-STQMWFEESA-N 0 1 377.416 1.550 20 0 GDADMN C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCCO1 ZINC000652094231 954056704 /nfs/dbraw/zinc/05/67/04/954056704.db2.gz AYEBBAKEDHIKSS-OXQOHEQNSA-N 0 1 377.485 1.829 20 0 GDADMN C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659785455 954375456 /nfs/dbraw/zinc/37/54/56/954375456.db2.gz LGJYHWNWFHCWOH-LJQANCHMSA-N 0 1 397.475 1.696 20 0 GDADMN C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659785455 954375468 /nfs/dbraw/zinc/37/54/68/954375468.db2.gz LGJYHWNWFHCWOH-LJQANCHMSA-N 0 1 397.475 1.696 20 0 GDADMN C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CC1 ZINC001593760264 954477753 /nfs/dbraw/zinc/47/77/53/954477753.db2.gz YHDVJLHZEGGNAG-WFXMLNOXSA-N 0 1 387.480 1.640 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(OC)c(O)c(OC)c1)C[C@@H]2C(=O)[O-] ZINC001593824444 955079721 /nfs/dbraw/zinc/07/97/21/955079721.db2.gz NREKFVNLIQHSNJ-FWHMADFJSA-N 0 1 379.409 1.495 20 0 GDADMN C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCOc2ccccc2C(=O)[O-])CC1 ZINC000768786506 955318071 /nfs/dbraw/zinc/31/80/71/955318071.db2.gz XOUPFPRNVYSDOA-INIZCTEOSA-N 0 1 389.496 1.829 20 0 GDADMN C[C@@H](CN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(=O)[O-] ZINC001589027283 955505757 /nfs/dbraw/zinc/50/57/57/955505757.db2.gz ZFJZQFKRNDVRGQ-WMLDXEAASA-N 0 1 390.484 1.246 20 0 GDADMN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)cn1 ZINC001594534312 955556659 /nfs/dbraw/zinc/55/66/59/955556659.db2.gz DXQOAFKIVUJRNE-XQBPLPMBSA-N 0 1 398.507 1.547 20 0 GDADMN COC(=O)c1c[nH]c(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)c1C1CC1 ZINC001593867842 955602039 /nfs/dbraw/zinc/60/20/39/955602039.db2.gz OTEJMOSZVQLSCP-HHGQXBFMSA-N 0 1 390.436 1.765 20 0 GDADMN COc1ccccc1N1CC[C@H]([N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)C1=O ZINC000873645388 956087745 /nfs/dbraw/zinc/08/77/45/956087745.db2.gz MNEIENXLEDDUGV-DAYGRLMNSA-N 0 1 398.463 1.724 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000874411119 956188521 /nfs/dbraw/zinc/18/85/21/956188521.db2.gz LMFOUYVIKGGTDR-UHOSZYNNSA-N 0 1 389.496 1.948 20 0 GDADMN Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000874411119 956188531 /nfs/dbraw/zinc/18/85/31/956188531.db2.gz LMFOUYVIKGGTDR-UHOSZYNNSA-N 0 1 389.496 1.948 20 0 GDADMN C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C(=O)NCC(F)(F)F ZINC001589131561 956197840 /nfs/dbraw/zinc/19/78/40/956197840.db2.gz SUNAJXKRCSEMJL-QWRGUYRKSA-N 0 1 377.363 1.737 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000901924721 956547055 /nfs/dbraw/zinc/54/70/55/956547055.db2.gz HRFLEUJDBKIFQD-KANFNMMFSA-N 0 1 390.480 1.662 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000901924721 956547062 /nfs/dbraw/zinc/54/70/62/956547062.db2.gz HRFLEUJDBKIFQD-KANFNMMFSA-N 0 1 390.480 1.662 20 0 GDADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC001593966471 956549918 /nfs/dbraw/zinc/54/99/18/956549918.db2.gz JKTANKICXGZOKY-FQEVSTJZSA-N 0 1 389.452 1.331 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001593966630 956553859 /nfs/dbraw/zinc/55/38/59/956553859.db2.gz KIZLROSZKYTYKW-QGZVFWFLSA-N 0 1 386.395 1.993 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)C1 ZINC001593966630 956553874 /nfs/dbraw/zinc/55/38/74/956553874.db2.gz KIZLROSZKYTYKW-QGZVFWFLSA-N 0 1 386.395 1.993 20 0 GDADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC000901957046 956568202 /nfs/dbraw/zinc/56/82/02/956568202.db2.gz KCNWXKLQUDMNSQ-MAUKXSAKSA-N 0 1 383.448 1.573 20 0 GDADMN COC[C@@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCO1 ZINC001593971512 956623491 /nfs/dbraw/zinc/62/34/91/956623491.db2.gz HCDZWEZGGLZUFJ-FXAWDEMLSA-N 0 1 376.453 1.370 20 0 GDADMN O=C([O-])[C@@H]1CC(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)=NN1c1ccccc1 ZINC000902817983 956804950 /nfs/dbraw/zinc/80/49/50/956804950.db2.gz HMPMAUGCUXRLBJ-PVAVHDDUSA-N 0 1 388.493 1.402 20 0 GDADMN COC(=O)C1CC2(C1)C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H]2C(=O)[O-] ZINC000903411624 956837357 /nfs/dbraw/zinc/83/73/57/956837357.db2.gz QABJAFAYHVZNOC-BJCXPLBRSA-N 0 1 380.828 1.864 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@@H]2C(=O)[O-] ZINC000903411624 956837370 /nfs/dbraw/zinc/83/73/70/956837370.db2.gz QABJAFAYHVZNOC-BJCXPLBRSA-N 0 1 380.828 1.864 20 0 GDADMN COCC[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C[C@@H](O)C(F)(F)F ZINC001594011998 957005545 /nfs/dbraw/zinc/00/55/45/957005545.db2.gz AUAYWYCNCFIHCV-TZMCWYRMSA-N 0 1 394.390 1.952 20 0 GDADMN COCC[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C[C@@H](O)C(F)(F)F ZINC001594011998 957005552 /nfs/dbraw/zinc/00/55/52/957005552.db2.gz AUAYWYCNCFIHCV-TZMCWYRMSA-N 0 1 394.390 1.952 20 0 GDADMN O=C([O-])CCC1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001119589324 957192583 /nfs/dbraw/zinc/19/25/83/957192583.db2.gz UPCSLXRNNNCRRF-GOSISDBHSA-N 0 1 396.532 1.069 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCOCCOCC(=O)[O-] ZINC001263071780 957292144 /nfs/dbraw/zinc/29/21/44/957292144.db2.gz KNQNYPUUGIZFJY-IAGOWNOFSA-N 0 1 393.484 1.409 20 0 GDADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC001330798051 957726359 /nfs/dbraw/zinc/72/63/59/957726359.db2.gz YNTBTJCNKDEGRK-KRWDZBQOSA-N 0 1 386.832 1.719 20 0 GDADMN O=C([O-])Cn1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1=O ZINC001334794477 957802401 /nfs/dbraw/zinc/80/24/01/957802401.db2.gz SVORDYKHLHRULX-UHFFFAOYSA-N 0 1 387.411 1.420 20 0 GDADMN O=C([O-])Cn1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1=O ZINC001334794477 957802405 /nfs/dbraw/zinc/80/24/05/957802405.db2.gz SVORDYKHLHRULX-UHFFFAOYSA-N 0 1 387.411 1.420 20 0 GDADMN CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001337834410 957845515 /nfs/dbraw/zinc/84/55/15/957845515.db2.gz RUIMHPOHKUHUAQ-OAHLLOKOSA-N 0 1 378.473 1.816 20 0 GDADMN CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001337834410 957845529 /nfs/dbraw/zinc/84/55/29/957845529.db2.gz RUIMHPOHKUHUAQ-OAHLLOKOSA-N 0 1 378.473 1.816 20 0 GDADMN CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)C2)CC1 ZINC001343117104 958027810 /nfs/dbraw/zinc/02/78/10/958027810.db2.gz LHEHWNVKBWOMJD-ZOCIIQOWSA-N 0 1 386.496 1.767 20 0 GDADMN C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)C2)CC1 ZINC001343117104 958027825 /nfs/dbraw/zinc/02/78/25/958027825.db2.gz LHEHWNVKBWOMJD-ZOCIIQOWSA-N 0 1 386.496 1.767 20 0 GDADMN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001549284587 958272206 /nfs/dbraw/zinc/27/22/06/958272206.db2.gz YKVOMQXWNCETRQ-NQCMUKECSA-N 0 1 389.477 1.676 20 0 GDADMN COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1OC ZINC001594087986 958330865 /nfs/dbraw/zinc/33/08/65/958330865.db2.gz FGZNRCPERFKZGY-OFQRWUPVSA-N 0 1 378.469 1.794 20 0 GDADMN COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1OC ZINC001594091489 958347427 /nfs/dbraw/zinc/34/74/27/958347427.db2.gz GVMAVDKSOPIPPA-AFBRZQFHSA-N 0 1 392.452 1.084 20 0 GDADMN COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001594124548 958625639 /nfs/dbraw/zinc/62/56/39/958625639.db2.gz ZXEPMQJGPUQSGI-WOJBJXKFSA-N 0 1 398.459 1.916 20 0 GDADMN CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[N@H+]2CCCC[C@H]2CCC(=O)[O-])CCC1 ZINC001573407683 958746619 /nfs/dbraw/zinc/74/66/19/958746619.db2.gz YHULQMYUKCCPAK-GJZGRUSLSA-N 0 1 390.546 1.707 20 0 GDADMN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001588556903 959060491 /nfs/dbraw/zinc/06/04/91/959060491.db2.gz BGWAOMYENCRSMM-CHWSQXEVSA-N 0 1 383.470 1.238 20 0 GDADMN C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001588557391 959065452 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20 0 GDADMN O=C(NCc1c[nH]nn1)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000823229078 606297967 /nfs/dbraw/zinc/29/79/67/606297967.db2.gz CPVUYLYDIWCDNM-UHFFFAOYSA-N 0 1 376.380 1.494 20 0 GDADMN O=C1[C@H](N2CCC[C@@]3(CCCOC3)C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823504647 606333038 /nfs/dbraw/zinc/33/30/38/606333038.db2.gz SKPYVEZPKRFMSE-RDTXWAMCSA-N 0 1 388.497 1.926 20 0 GDADMN CN(CCNC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccc(F)cc1 ZINC000821602866 606384663 /nfs/dbraw/zinc/38/46/63/606384663.db2.gz YJLYMOQFUPRSIK-UHFFFAOYSA-N 0 1 383.431 1.937 20 0 GDADMN CN1CCN(c2ccc(CNC(=O)c3cc(-c4nn[nH]n4)cs3)cn2)CC1 ZINC000821628566 606534960 /nfs/dbraw/zinc/53/49/60/606534960.db2.gz LFMOUBPFECJNBU-UHFFFAOYSA-N 0 1 384.469 1.005 20 0 GDADMN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823170832 606580156 /nfs/dbraw/zinc/58/01/56/606580156.db2.gz JELXWYSWPLGUQW-SFHVURJKSA-N 0 1 384.465 1.295 20 0 GDADMN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823170832 606580158 /nfs/dbraw/zinc/58/01/58/606580158.db2.gz JELXWYSWPLGUQW-SFHVURJKSA-N 0 1 384.465 1.295 20 0 GDADMN CN(C)C(=O)c1cc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)ccc1F ZINC000821578326 606591140 /nfs/dbraw/zinc/59/11/40/606591140.db2.gz YNEFAJZNBXXYFB-UHFFFAOYSA-N 0 1 390.400 1.508 20 0 GDADMN C[C@H](N(C)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)C1(C)CC1 ZINC000820306753 606591872 /nfs/dbraw/zinc/59/18/72/606591872.db2.gz DRJGHVIUFZJEQO-ZDUSSCGKSA-N 0 1 383.456 1.709 20 0 GDADMN C[C@H](N(C)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C1(C)CC1 ZINC000820306725 606591994 /nfs/dbraw/zinc/59/19/94/606591994.db2.gz DBXHOLQVJJAXOW-ZDUSSCGKSA-N 0 1 383.456 1.709 20 0 GDADMN C[C@@H](N(C)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O)C1(C)CC1 ZINC000820306724 606592144 /nfs/dbraw/zinc/59/21/44/606592144.db2.gz DBXHOLQVJJAXOW-CYBMUJFWSA-N 0 1 383.456 1.709 20 0 GDADMN Cc1nc(C)c(Br)c(N2CCN(C(=O)N3CCNCC3)CC2)n1 ZINC000530180191 649967583 /nfs/dbraw/zinc/96/75/83/649967583.db2.gz UEHLMEYNOOGGKV-UHFFFAOYSA-N 0 1 383.294 1.003 20 0 GDADMN CCCc1nc([C@@H]2CN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)CCO2)n[nH]1 ZINC000821141999 606696618 /nfs/dbraw/zinc/69/66/18/606696618.db2.gz BFOZEPSBFKWVNC-AWEZNQCLSA-N 0 1 397.443 1.851 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)CCO2)n1 ZINC000821141999 606696619 /nfs/dbraw/zinc/69/66/19/606696619.db2.gz BFOZEPSBFKWVNC-AWEZNQCLSA-N 0 1 397.443 1.851 20 0 GDADMN C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857624 606699375 /nfs/dbraw/zinc/69/93/75/606699375.db2.gz SXUJRPWPJDHMIM-ZDUSSCGKSA-N 0 1 397.487 1.084 20 0 GDADMN C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857624 606699377 /nfs/dbraw/zinc/69/93/77/606699377.db2.gz SXUJRPWPJDHMIM-ZDUSSCGKSA-N 0 1 397.487 1.084 20 0 GDADMN CCN(C(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000821148263 606699881 /nfs/dbraw/zinc/69/98/81/606699881.db2.gz NDKOLPLYHLQZLP-CYBMUJFWSA-N 0 1 397.487 1.478 20 0 GDADMN CCN(C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000821148263 606699883 /nfs/dbraw/zinc/69/98/83/606699883.db2.gz NDKOLPLYHLQZLP-CYBMUJFWSA-N 0 1 397.487 1.478 20 0 GDADMN Cc1n[nH]c([C@H]2CCCN([C@H](C)C(=O)Nc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC000822436218 606755432 /nfs/dbraw/zinc/75/54/32/606755432.db2.gz IZXQBODAARWGTB-RISCZKNCSA-N 0 1 381.444 1.500 20 0 GDADMN c1coc(-c2nc(-c3nn[n-]n3)c(N3CC[NH+](C[C@H]4CCCOC4)CC3)o2)c1 ZINC000823815971 606763702 /nfs/dbraw/zinc/76/37/02/606763702.db2.gz MSPAUANKIPAHAD-CYBMUJFWSA-N 0 1 385.428 1.663 20 0 GDADMN Cc1ccccc1OCCC[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822366835 606784383 /nfs/dbraw/zinc/78/43/83/606784383.db2.gz VEWRSKZJWQCVHW-MRXNPFEDSA-N 0 1 394.483 1.945 20 0 GDADMN Cc1ccccc1OCCC[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822366835 606784384 /nfs/dbraw/zinc/78/43/84/606784384.db2.gz VEWRSKZJWQCVHW-MRXNPFEDSA-N 0 1 394.483 1.945 20 0 GDADMN COc1ccc(S(=O)(=O)Nc2cc(N(C)C)ccc2-c2nn[nH]n2)cc1F ZINC000821846135 606820960 /nfs/dbraw/zinc/82/09/60/606820960.db2.gz NKZKNPYZLHSEFU-UHFFFAOYSA-N 0 1 392.416 1.881 20 0 GDADMN CN(Cc1cc(Cl)cn1C)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821607175 606880973 /nfs/dbraw/zinc/88/09/73/606880973.db2.gz CBWAUJBGSUXFJO-OAHLLOKOSA-N 0 1 376.848 1.730 20 0 GDADMN O=S(=O)(N[C@@H]1CCc2ccccc2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573554 606885574 /nfs/dbraw/zinc/88/55/74/606885574.db2.gz WUOZZQUKAFQKIQ-CYBMUJFWSA-N 0 1 391.403 1.981 20 0 GDADMN CCCc1nnc([C@H]2CN(CCCOc3cccc(-c4nn[nH]n4)c3)CCO2)[nH]1 ZINC000821143029 606904964 /nfs/dbraw/zinc/90/49/64/606904964.db2.gz OYKVGSVTBSDGHU-MRXNPFEDSA-N 0 1 398.471 1.780 20 0 GDADMN CCCc1n[nH]c([C@H]2CN(CCCOc3cccc(-c4nn[nH]n4)c3)CCO2)n1 ZINC000821143029 606904965 /nfs/dbraw/zinc/90/49/65/606904965.db2.gz OYKVGSVTBSDGHU-MRXNPFEDSA-N 0 1 398.471 1.780 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000822006018 606906471 /nfs/dbraw/zinc/90/64/71/606906471.db2.gz XHGVPTPYVFKUGH-ZUZCIYMTSA-N 0 1 385.472 1.116 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000822006018 606906473 /nfs/dbraw/zinc/90/64/73/606906473.db2.gz XHGVPTPYVFKUGH-ZUZCIYMTSA-N 0 1 385.472 1.116 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000822006018 606906475 /nfs/dbraw/zinc/90/64/75/606906475.db2.gz XHGVPTPYVFKUGH-ZUZCIYMTSA-N 0 1 385.472 1.116 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1-c1nn[n-]n1 ZINC000821970691 606912974 /nfs/dbraw/zinc/91/29/74/606912974.db2.gz QXZAXWNPQXTZFV-SNVBAGLBSA-N 0 1 379.490 1.395 20 0 GDADMN C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820752513 606915648 /nfs/dbraw/zinc/91/56/48/606915648.db2.gz NVJHVGLRQWWKRB-XPTSAGLGSA-N 0 1 382.877 1.281 20 0 GDADMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820752514 606916069 /nfs/dbraw/zinc/91/60/69/606916069.db2.gz NVJHVGLRQWWKRB-YMTOWFKASA-N 0 1 382.877 1.281 20 0 GDADMN O[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)COc1ccccc1Br ZINC000823689100 607008365 /nfs/dbraw/zinc/00/83/65/607008365.db2.gz ALDXPVXKKIOXQC-JTQLQIEISA-N 0 1 394.229 1.752 20 0 GDADMN CCc1nc([C@H]2CN(c3nc(C(F)(F)F)ccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000821504839 607027786 /nfs/dbraw/zinc/02/77/86/607027786.db2.gz LNSNLBQDLUBYKI-SECBINFHSA-N 0 1 395.349 1.539 20 0 GDADMN CCc1nc([C@H]2CN(C(=O)N[C@@H](C)c3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000821504829 607108920 /nfs/dbraw/zinc/10/89/20/607108920.db2.gz LKACFXZGSCFISP-SMDDNHRTSA-N 0 1 397.443 1.391 20 0 GDADMN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1 ZINC000823589001 607113846 /nfs/dbraw/zinc/11/38/46/607113846.db2.gz HKIDJJMRQQJULL-ZDUSSCGKSA-N 0 1 387.421 1.835 20 0 GDADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000823161355 607192017 /nfs/dbraw/zinc/19/20/17/607192017.db2.gz NJTCDUXWYKAQHS-RTBURBONSA-N 0 1 392.463 1.480 20 0 GDADMN CC(C)(NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Br)cc1 ZINC000819988097 607207707 /nfs/dbraw/zinc/20/77/07/607207707.db2.gz SOUWCWCUYLMFMJ-UHFFFAOYSA-N 0 1 391.233 1.272 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000823123053 607207877 /nfs/dbraw/zinc/20/78/77/607207877.db2.gz MBXJYXRHWFEHIS-LBPRGKRZSA-N 0 1 388.819 1.182 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(COCc2ccco2)c1 ZINC000823136308 607209091 /nfs/dbraw/zinc/20/90/91/607209091.db2.gz UVGWLOHQSBSPJG-UHFFFAOYSA-N 0 1 380.368 1.407 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000823131975 607209711 /nfs/dbraw/zinc/20/97/11/607209711.db2.gz SXAWPTJGMAQUMF-UHFFFAOYSA-N 0 1 390.411 1.297 20 0 GDADMN Cc1ccc(C)c(OC2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)c1 ZINC000822231861 607210596 /nfs/dbraw/zinc/21/05/96/607210596.db2.gz JWIBUENVOCEYKQ-UHFFFAOYSA-N 0 1 382.428 1.145 20 0 GDADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822423850 607210677 /nfs/dbraw/zinc/21/06/77/607210677.db2.gz PUKWEXBNWIUOLY-JTQLQIEISA-N 0 1 395.452 1.768 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000823136175 607210960 /nfs/dbraw/zinc/21/09/60/607210960.db2.gz NJEXJCPWFMKMDU-GFCCVEGCSA-N 0 1 384.400 1.045 20 0 GDADMN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822379993 607218332 /nfs/dbraw/zinc/21/83/32/607218332.db2.gz YHRDIXBFKBORKU-CQSZACIVSA-N 0 1 394.464 1.928 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(F)ccc1SCC(F)F ZINC000823131916 607218467 /nfs/dbraw/zinc/21/84/67/607218467.db2.gz QNCQSWWNMVCUIW-UHFFFAOYSA-N 0 1 384.347 1.593 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(COCc2ccccc2)cc1 ZINC000823132057 607220002 /nfs/dbraw/zinc/22/00/02/607220002.db2.gz XJGOTTWUDPHJMG-UHFFFAOYSA-N 0 1 390.407 1.814 20 0 GDADMN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822233585 607220379 /nfs/dbraw/zinc/22/03/79/607220379.db2.gz RNUYUDFGNFAKDM-GDBMZVCRSA-N 0 1 382.428 1.051 20 0 GDADMN CCc1cc(Br)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821470183 607224360 /nfs/dbraw/zinc/22/43/60/607224360.db2.gz MZHOPCLYMNLBPH-UHFFFAOYSA-N 0 1 377.206 1.422 20 0 GDADMN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821623076 607230494 /nfs/dbraw/zinc/23/04/94/607230494.db2.gz BTUCXCLIZJFBCA-WCQYABFASA-N 0 1 380.449 1.111 20 0 GDADMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821623076 607230495 /nfs/dbraw/zinc/23/04/95/607230495.db2.gz BTUCXCLIZJFBCA-WCQYABFASA-N 0 1 380.449 1.111 20 0 GDADMN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821623076 607230496 /nfs/dbraw/zinc/23/04/96/607230496.db2.gz BTUCXCLIZJFBCA-WCQYABFASA-N 0 1 380.449 1.111 20 0 GDADMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821623076 607230497 /nfs/dbraw/zinc/23/04/97/607230497.db2.gz BTUCXCLIZJFBCA-WCQYABFASA-N 0 1 380.449 1.111 20 0 GDADMN Cc1c(Cl)cnn1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826241232 607809262 /nfs/dbraw/zinc/80/92/62/607809262.db2.gz WHHFEKFKEPTMOC-UHFFFAOYSA-N 0 1 389.851 1.670 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1-c1nn[nH]n1 ZINC000826229992 607811911 /nfs/dbraw/zinc/81/19/11/607811911.db2.gz ZIKPEUAREJJZAW-JTQLQIEISA-N 0 1 398.452 1.093 20 0 GDADMN C[C@H]1C[C@@H](N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCN1C ZINC000824885398 607828734 /nfs/dbraw/zinc/82/87/34/607828734.db2.gz SNXIYPWCBSVMFX-ZFWWWQNUSA-N 0 1 378.502 1.055 20 0 GDADMN CCN1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C[C@@H]1C ZINC000825458699 607831798 /nfs/dbraw/zinc/83/17/98/607831798.db2.gz DIUFYSPHJWVHKH-RYUDHWBXSA-N 0 1 389.529 1.770 20 0 GDADMN O=C1C[C@@H](N2CC[C@H](C3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478456 607843343 /nfs/dbraw/zinc/84/33/43/607843343.db2.gz BTUCCGCBQNHHOA-DOTOQJQBSA-N 0 1 396.451 1.247 20 0 GDADMN Clc1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc1-c1nnn[n-]1 ZINC000826352231 607849912 /nfs/dbraw/zinc/84/99/12/607849912.db2.gz TUXSNWNVJSBPGX-CYBMUJFWSA-N 0 1 377.880 1.996 20 0 GDADMN Clc1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc1-c1nn[n-]n1 ZINC000826352231 607849913 /nfs/dbraw/zinc/84/99/13/607849913.db2.gz TUXSNWNVJSBPGX-CYBMUJFWSA-N 0 1 377.880 1.996 20 0 GDADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)C[C@H]1CCC[C@@H]1O ZINC000824045162 607859594 /nfs/dbraw/zinc/85/95/94/607859594.db2.gz HPJKCIVLOXJCMI-HFAKWTLXSA-N 0 1 378.864 1.940 20 0 GDADMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000826323723 607913259 /nfs/dbraw/zinc/91/32/59/607913259.db2.gz OYXAZQBHSPTAIF-SNVBAGLBSA-N 0 1 375.462 1.566 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCc2cnc(C3CC3)nc2)cc1-c1nn[nH]n1 ZINC000826229460 607929825 /nfs/dbraw/zinc/92/98/25/607929825.db2.gz FRVSVSLABWJENX-UHFFFAOYSA-N 0 1 398.452 1.329 20 0 GDADMN COc1ccc(OC)c(CCCN[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826211076 607983983 /nfs/dbraw/zinc/98/39/83/607983983.db2.gz OJKOVBUJOBLZOK-SFHVURJKSA-N 0 1 396.451 1.633 20 0 GDADMN Brc1cc(-c2nn[nH]n2)ccc1N1CC[C@@H](CN2CCOCC2)C1 ZINC000823826099 607990981 /nfs/dbraw/zinc/99/09/81/607990981.db2.gz CIEYONUAOKLTHA-LBPRGKRZSA-N 0 1 393.289 1.788 20 0 GDADMN CC[C@@H](OC1CCCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825153721 608019257 /nfs/dbraw/zinc/01/92/57/608019257.db2.gz ISXYASVAPCSBNX-CQSZACIVSA-N 0 1 390.492 1.808 20 0 GDADMN CC[C@@H](OC1CCCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825153721 608019258 /nfs/dbraw/zinc/01/92/58/608019258.db2.gz ISXYASVAPCSBNX-CQSZACIVSA-N 0 1 390.492 1.808 20 0 GDADMN CCc1ccc(OCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825717980 608019514 /nfs/dbraw/zinc/01/95/14/608019514.db2.gz SHMMWWZSQXMYKY-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN CCc1ccc(OCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825717980 608019515 /nfs/dbraw/zinc/01/95/15/608019515.db2.gz SHMMWWZSQXMYKY-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2SCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077741 608019632 /nfs/dbraw/zinc/01/96/32/608019632.db2.gz SRUITGWHJCKUGQ-OAHLLOKOSA-N 0 1 398.496 1.711 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2SCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077741 608019633 /nfs/dbraw/zinc/01/96/33/608019633.db2.gz SRUITGWHJCKUGQ-OAHLLOKOSA-N 0 1 398.496 1.711 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCN(C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826077704 608019666 /nfs/dbraw/zinc/01/96/66/608019666.db2.gz RDHNMUIVNCTVHJ-CYBMUJFWSA-N 0 1 395.471 1.304 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCN(C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826077704 608019667 /nfs/dbraw/zinc/01/96/67/608019667.db2.gz RDHNMUIVNCTVHJ-CYBMUJFWSA-N 0 1 395.471 1.304 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(cc2O)CCCC3)c1-c1nn[n-]n1 ZINC000826077878 608020590 /nfs/dbraw/zinc/02/05/90/608020590.db2.gz YKFLXXRLFTWPJA-UHFFFAOYSA-N 0 1 396.455 1.579 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3nc2C)c1-c1nnn[n-]1 ZINC000826084084 608021040 /nfs/dbraw/zinc/02/10/40/608021040.db2.gz UWLXJQAFVNQPQF-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3nc2C)c1-c1nn[n-]n1 ZINC000826084084 608021041 /nfs/dbraw/zinc/02/10/41/608021041.db2.gz UWLXJQAFVNQPQF-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)cc2OC)c1-c1nnn[n-]1 ZINC000826084298 608021437 /nfs/dbraw/zinc/02/14/37/608021437.db2.gz YDQWNFQIPZLSBG-UHFFFAOYSA-N 0 1 390.835 1.656 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)cc2OC)c1-c1nn[n-]n1 ZINC000826084298 608021438 /nfs/dbraw/zinc/02/14/38/608021438.db2.gz YDQWNFQIPZLSBG-UHFFFAOYSA-N 0 1 390.835 1.656 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(-c3ccco3)s2)c1-c1nnn[n-]1 ZINC000826084322 608021641 /nfs/dbraw/zinc/02/16/41/608021641.db2.gz YYQMGCYFQDSWNX-UHFFFAOYSA-N 0 1 399.440 1.711 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc(-c3ccco3)s2)c1-c1nn[n-]n1 ZINC000826084322 608021642 /nfs/dbraw/zinc/02/16/42/608021642.db2.gz YYQMGCYFQDSWNX-UHFFFAOYSA-N 0 1 399.440 1.711 20 0 GDADMN CCC(CC)n1nccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825113576 608022797 /nfs/dbraw/zinc/02/27/97/608022797.db2.gz BYEUUNAIBGZUSX-UHFFFAOYSA-N 0 1 386.464 1.552 20 0 GDADMN CCC(CC)n1nccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825113576 608022798 /nfs/dbraw/zinc/02/27/98/608022798.db2.gz BYEUUNAIBGZUSX-UHFFFAOYSA-N 0 1 386.464 1.552 20 0 GDADMN C[C@H](O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000824688940 608033527 /nfs/dbraw/zinc/03/35/27/608033527.db2.gz IXFRVRPOTSFNMN-SRVKXCTJSA-N 0 1 378.864 1.940 20 0 GDADMN CN(CC(=O)NCCSCc1ccccc1-c1nn[nH]n1)[C@H]1CCSC1 ZINC000825892560 608033702 /nfs/dbraw/zinc/03/37/02/608033702.db2.gz OWSPLQYUQBAWOW-AWEZNQCLSA-N 0 1 392.554 1.653 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc(F)cc2cccnc21 ZINC000825933952 608035628 /nfs/dbraw/zinc/03/56/28/608035628.db2.gz JRSWTGOCGJXWQG-UHFFFAOYSA-N 0 1 381.419 1.924 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc(F)cc2cccnc21 ZINC000825933952 608035629 /nfs/dbraw/zinc/03/56/29/608035629.db2.gz JRSWTGOCGJXWQG-UHFFFAOYSA-N 0 1 381.419 1.924 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(F)cc2cccnc21 ZINC000825933952 608035630 /nfs/dbraw/zinc/03/56/30/608035630.db2.gz JRSWTGOCGJXWQG-UHFFFAOYSA-N 0 1 381.419 1.924 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(F)cc2cccnc21 ZINC000825933952 608035631 /nfs/dbraw/zinc/03/56/31/608035631.db2.gz JRSWTGOCGJXWQG-UHFFFAOYSA-N 0 1 381.419 1.924 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1c(F)cccc1F ZINC000825933948 608036782 /nfs/dbraw/zinc/03/67/82/608036782.db2.gz JMTJVQLUKSGVCF-GFCCVEGCSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1c(F)cccc1F ZINC000825933948 608036783 /nfs/dbraw/zinc/03/67/83/608036783.db2.gz JMTJVQLUKSGVCF-GFCCVEGCSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1c(F)cccc1F ZINC000825933948 608036784 /nfs/dbraw/zinc/03/67/84/608036784.db2.gz JMTJVQLUKSGVCF-GFCCVEGCSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1c(F)cccc1F ZINC000825933948 608036785 /nfs/dbraw/zinc/03/67/85/608036785.db2.gz JMTJVQLUKSGVCF-GFCCVEGCSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cnc(-c2ccccc2)nc1 ZINC000825935251 608037224 /nfs/dbraw/zinc/03/72/24/608037224.db2.gz XMTIFXRYHWLOQP-UHFFFAOYSA-N 0 1 390.455 1.694 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cnc(-c2ccccc2)nc1 ZINC000825935251 608037225 /nfs/dbraw/zinc/03/72/25/608037225.db2.gz XMTIFXRYHWLOQP-UHFFFAOYSA-N 0 1 390.455 1.694 20 0 GDADMN C[C@H](CNc1ccc(-c2nn[nH]n2)cc1Br)N1CCN(C)CC1 ZINC000824427745 608048570 /nfs/dbraw/zinc/04/85/70/608048570.db2.gz NZHMNPJAPFYJRY-LLVKDONJSA-N 0 1 380.294 1.677 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)n[nH]1 ZINC000824359209 608096800 /nfs/dbraw/zinc/09/68/00/608096800.db2.gz UBUHYAXHLJQEPI-MRVPVSSYSA-N 0 1 380.409 1.287 20 0 GDADMN NC(=O)[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389463 608099737 /nfs/dbraw/zinc/09/97/37/608099737.db2.gz YWEPYQBWJMIGMC-QAPCUYQASA-N 0 1 395.442 1.791 20 0 GDADMN C[NH+](C)CCOc1cc(CNc2snc(Cl)c2-c2nnn[n-]2)ccn1 ZINC000825870705 608100321 /nfs/dbraw/zinc/10/03/21/608100321.db2.gz YZMXNLVCDMFRSY-UHFFFAOYSA-N 0 1 380.865 1.924 20 0 GDADMN C[NH+](C)CCOc1cc(CNc2snc(Cl)c2-c2nn[n-]n2)ccn1 ZINC000825870705 608100322 /nfs/dbraw/zinc/10/03/22/608100322.db2.gz YZMXNLVCDMFRSY-UHFFFAOYSA-N 0 1 380.865 1.924 20 0 GDADMN Cc1nc(NS(=O)(=O)Cc2ccccc2)n(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826327435 608100875 /nfs/dbraw/zinc/10/08/75/608100875.db2.gz HKPZSLGTCWSRCA-UHFFFAOYSA-N 0 1 396.436 1.120 20 0 GDADMN C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824991515 608150927 /nfs/dbraw/zinc/15/09/27/608150927.db2.gz BUUVQTLYVGVLOA-WMLDXEAASA-N 0 1 393.499 1.272 20 0 GDADMN C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824991515 608150930 /nfs/dbraw/zinc/15/09/30/608150930.db2.gz BUUVQTLYVGVLOA-WMLDXEAASA-N 0 1 393.499 1.272 20 0 GDADMN CC(C)c1nc([C@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824359248 608203867 /nfs/dbraw/zinc/20/38/67/608203867.db2.gz UMUKBUCFOBTBHV-SWLSCSKDSA-N 0 1 395.471 1.954 20 0 GDADMN O=Cc1[nH]nc2cc(C(=O)OCCOc3ccc(-c4nn[nH]n4)cc3)ccc12 ZINC000826484180 608255097 /nfs/dbraw/zinc/25/50/97/608255097.db2.gz RCVIZULWQABJBE-UHFFFAOYSA-N 0 1 378.348 1.791 20 0 GDADMN NC(=O)c1cc(OC2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)ccn1 ZINC000826392950 608264669 /nfs/dbraw/zinc/26/46/69/608264669.db2.gz VDAVKFMBJATHGT-UHFFFAOYSA-N 0 1 397.414 1.543 20 0 GDADMN COCC1(C)CCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CC1 ZINC000826152910 608360002 /nfs/dbraw/zinc/36/00/02/608360002.db2.gz SOXSCEFVDBTFAZ-UHFFFAOYSA-N 0 1 378.458 1.578 20 0 GDADMN Cn1cc([C@H](O)C[C@H]2CCCN2CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000826360174 608376378 /nfs/dbraw/zinc/37/63/78/608376378.db2.gz ZVTQFPCHKOTOSR-IAGOWNOFSA-N 0 1 396.455 1.127 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)ccc(C)c2F)c1-c1nnn[n-]1 ZINC000826077555 608385320 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O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1sccc1C(F)F ZINC001571308108 946431603 /nfs/dbraw/zinc/43/16/03/946431603.db2.gz MXPUYDFIOJTFIY-QMMMGPOBSA-N 0 1 392.395 1.665 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571308869 946438307 /nfs/dbraw/zinc/43/83/07/946438307.db2.gz UBMMNJJCLQTWIK-LLVKDONJSA-N 0 1 392.414 1.377 20 0 GDADMN O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCC(F)(F)C1 ZINC001571310177 946463241 /nfs/dbraw/zinc/46/32/41/946463241.db2.gz XRGOAEGENGCTEP-VXGBXAGGSA-N 0 1 392.414 1.567 20 0 GDADMN OCCCCCCC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823718642 946469966 /nfs/dbraw/zinc/46/99/66/946469966.db2.gz XWWMBNVDILTJLJ-UHFFFAOYSA-N 0 1 375.477 1.797 20 0 GDADMN CCc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571312970 946508243 /nfs/dbraw/zinc/50/82/43/946508243.db2.gz GMILZOCMSYGHQK-MRXNPFEDSA-N 0 1 392.467 1.547 20 0 GDADMN Cc1cc(C)nc(C(=O)N2CCC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571314716 946542604 /nfs/dbraw/zinc/54/26/04/946542604.db2.gz AYNYFCRLLRTTHZ-OAHLLOKOSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1cc(N[C@@H]2CCC[C@H]3CN(C(=O)c4cc[nH]c4)C[C@H]32)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314737 946542759 /nfs/dbraw/zinc/54/27/59/946542759.db2.gz BSDXTAZQTNBWFW-USXIJHARSA-N 0 1 392.467 1.673 20 0 GDADMN Cc1cc(NC[C@H]2CCN(C(=O)c3ccncc3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314769 946544590 /nfs/dbraw/zinc/54/45/90/946544590.db2.gz CKZCAFWORVNMDP-XJKSGUPXSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cc4n(c3)CCCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315006 946546375 /nfs/dbraw/zinc/54/63/75/946546375.db2.gz GHNUWZDAADPDOP-GASCZTMLSA-N 0 1 392.467 1.503 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@H](C)[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315008 946548096 /nfs/dbraw/zinc/54/80/96/946548096.db2.gz GJKFKKCKAPHLCC-GOEBONIOSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)Cc3cccnc3)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316147 946566674 /nfs/dbraw/zinc/56/66/74/946566674.db2.gz UXISZBKKQMINIR-ZBFHGGJFSA-N 0 1 392.467 1.681 20 0 GDADMN Cc1cnc(C(=O)N[C@H]2CC[C@@H](C)N(Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571316782 946587570 /nfs/dbraw/zinc/58/75/70/946587570.db2.gz MQEBRMLIJRERKP-PBHICJAKSA-N 0 1 392.467 1.748 20 0 GDADMN Cn1cc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c(C2CC2)n1 ZINC001571316857 946590644 /nfs/dbraw/zinc/59/06/44/946590644.db2.gz OGOFDXHJNJNKKF-MRXNPFEDSA-N 0 1 392.467 1.482 20 0 GDADMN CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H](C)CN1CCOCC1 ZINC000824255372 946633855 /nfs/dbraw/zinc/63/38/55/946633855.db2.gz HHYDPRSISUXVKS-INIZCTEOSA-N 0 1 386.500 1.820 20 0 GDADMN C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506081 946751743 /nfs/dbraw/zinc/75/17/43/946751743.db2.gz LAOQHYQGWCOPPS-DZGCQCFKSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824506081 946751752 /nfs/dbraw/zinc/75/17/52/946751752.db2.gz LAOQHYQGWCOPPS-DZGCQCFKSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506081 946751759 /nfs/dbraw/zinc/75/17/59/946751759.db2.gz LAOQHYQGWCOPPS-DZGCQCFKSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824506081 946751768 /nfs/dbraw/zinc/75/17/68/946751768.db2.gz LAOQHYQGWCOPPS-DZGCQCFKSA-N 0 1 395.471 1.632 20 0 GDADMN CC[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825039745 947055715 /nfs/dbraw/zinc/05/57/15/947055715.db2.gz VRJPAIVNSZSRFO-AWEZNQCLSA-N 0 1 398.471 1.883 20 0 GDADMN CC[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825039745 947055723 /nfs/dbraw/zinc/05/57/23/947055723.db2.gz VRJPAIVNSZSRFO-AWEZNQCLSA-N 0 1 398.471 1.883 20 0 GDADMN C=C/C(C)=C\CC(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573316040 947265534 /nfs/dbraw/zinc/26/55/34/947265534.db2.gz FOCBGTLFCGFGKN-KSKAUBAUSA-N 0 1 383.456 1.154 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573591534 947313839 /nfs/dbraw/zinc/31/38/39/947313839.db2.gz CJZOUSZXLSMWCA-QWHCGFSZSA-N 0 1 375.477 1.199 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573594728 947405775 /nfs/dbraw/zinc/40/57/75/947405775.db2.gz RLTKBNBFQCIQGR-ACJLOTCBSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H](C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573594824 947407738 /nfs/dbraw/zinc/40/77/38/947407738.db2.gz UPHJLOOYHVOPGA-GRTSSRMGSA-N 0 1 378.440 1.284 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573596569 947431155 /nfs/dbraw/zinc/43/11/55/947431155.db2.gz LCULDAPWVVPADU-LRDDRELGSA-N 0 1 390.463 1.351 20 0 GDADMN C[C@@H](C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573597852 947440260 /nfs/dbraw/zinc/44/02/60/947440260.db2.gz PBWCHDPTDQCEIR-CYBMUJFWSA-N 0 1 383.460 1.084 20 0 GDADMN C=Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573351061 947607452 /nfs/dbraw/zinc/60/74/52/947607452.db2.gz JGZWLBKMQJWFRP-DOMZBBRYSA-N 0 1 376.424 1.294 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573615961 947615934 /nfs/dbraw/zinc/61/59/34/947615934.db2.gz LGJINBXKAQFJGV-QWRGUYRKSA-N 0 1 380.403 1.233 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573352131 947626427 /nfs/dbraw/zinc/62/64/27/947626427.db2.gz VXJLMDDTNGZZJT-XJKSGUPXSA-N 0 1 390.451 1.684 20 0 GDADMN C=Cc1ccc(C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573352240 947630640 /nfs/dbraw/zinc/63/06/40/947630640.db2.gz ZLFIUWUHENMGTM-UHFFFAOYSA-N 0 1 392.467 1.932 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573354386 947632808 /nfs/dbraw/zinc/63/28/08/947632808.db2.gz BNLBLEMQUUKGNQ-HNNXBMFYSA-N 0 1 390.451 1.946 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573618404 947649711 /nfs/dbraw/zinc/64/97/11/947649711.db2.gz RWEOJJGPJCGTND-RYUDHWBXSA-N 0 1 384.469 1.204 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccn1 ZINC001573623376 947685613 /nfs/dbraw/zinc/68/56/13/947685613.db2.gz DWBMHHZFOAMPLO-SWLSCSKDSA-N 0 1 384.419 1.154 20 0 GDADMN C/C(=C/C(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C1CC1 ZINC001573362787 947705279 /nfs/dbraw/zinc/70/52/79/947705279.db2.gz LLIIDYXPBHITGJ-ODDCISTRSA-N 0 1 381.484 1.999 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573627726 947731875 /nfs/dbraw/zinc/73/18/75/947731875.db2.gz FRYVVLQQJABLRR-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C(C)(C)C ZINC001573628011 947742476 /nfs/dbraw/zinc/74/24/76/947742476.db2.gz FBRBETJILGWGMR-DJJJIMSYSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573628626 947760595 /nfs/dbraw/zinc/76/05/95/947760595.db2.gz NAIOEQXQJKNNOB-RDBSUJKOSA-N 0 1 384.488 1.909 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccsc1 ZINC001573637506 947814348 /nfs/dbraw/zinc/81/43/48/947814348.db2.gz GXZGVROYMMXELE-GXTWGEPZSA-N 0 1 383.481 1.952 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573637574 947816545 /nfs/dbraw/zinc/81/65/45/947816545.db2.gz JGVKXRHVBRPYJK-STQMWFEESA-N 0 1 382.428 1.268 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001573376183 947831656 /nfs/dbraw/zinc/83/16/56/947831656.db2.gz SQVBDAXPPLAWDC-HOCLYGCPSA-N 0 1 385.472 1.803 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21)n1cnc(-c2nn[nH]n2)n1 ZINC001573638540 947840515 /nfs/dbraw/zinc/84/05/15/947840515.db2.gz OMWRTZDTJGXZPU-DTZQCDIJSA-N 0 1 394.439 1.540 20 0 GDADMN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1-c1nn[nH]n1 ZINC000826299385 947868025 /nfs/dbraw/zinc/86/80/25/947868025.db2.gz BUBPZDWSPDNKAV-UHFFFAOYSA-N 0 1 386.437 1.678 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573383825 947896395 /nfs/dbraw/zinc/89/63/95/947896395.db2.gz XUEYQYIYHHESDK-AWEZNQCLSA-N 0 1 385.472 1.742 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826344145 948001275 /nfs/dbraw/zinc/00/12/75/948001275.db2.gz YLAAVWQXZWMAGD-UHFFFAOYSA-N 0 1 381.440 1.835 20 0 GDADMN C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)c1ccco1 ZINC001573657626 948001290 /nfs/dbraw/zinc/00/12/90/948001290.db2.gz NUAFELHDHGBFFU-GFCCVEGCSA-N 0 1 382.428 1.316 20 0 GDADMN Cc1onc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826346644 948042109 /nfs/dbraw/zinc/04/21/09/948042109.db2.gz RQVHAKKUJBULIO-UHFFFAOYSA-N 0 1 381.440 1.486 20 0 GDADMN Cc1onc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826346644 948042117 /nfs/dbraw/zinc/04/21/17/948042117.db2.gz RQVHAKKUJBULIO-UHFFFAOYSA-N 0 1 381.440 1.486 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573666002 948080566 /nfs/dbraw/zinc/08/05/66/948080566.db2.gz OMMJBVUHXLUOEO-GDBMZVCRSA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccnc1 ZINC001573671366 948107993 /nfs/dbraw/zinc/10/79/93/948107993.db2.gz FHIPEPNDQOGOAA-RDTXWAMCSA-N 0 1 377.452 1.756 20 0 GDADMN C[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573679648 948165743 /nfs/dbraw/zinc/16/57/43/948165743.db2.gz MLECWUHJUDEQTB-RYUDHWBXSA-N 0 1 384.419 1.540 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)c1ccccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573679650 948166017 /nfs/dbraw/zinc/16/60/17/948166017.db2.gz MLECWUHJUDEQTB-VXGBXAGGSA-N 0 1 384.419 1.540 20 0 GDADMN C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573681445 948204572 /nfs/dbraw/zinc/20/45/72/948204572.db2.gz WYBOCPMLHPPKIV-RYUDHWBXSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573681445 948204580 /nfs/dbraw/zinc/20/45/80/948204580.db2.gz WYBOCPMLHPPKIV-RYUDHWBXSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)n1cccn1 ZINC001573691409 948240340 /nfs/dbraw/zinc/24/03/40/948240340.db2.gz GPCCMRVRUOAYAK-GFCCVEGCSA-N 0 1 384.419 1.202 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C1CCCC1 ZINC001573696244 948320395 /nfs/dbraw/zinc/32/03/95/948320395.db2.gz MOVMKFIVUDIDSE-ZFZWDLNGSA-N 0 1 381.484 1.886 20 0 GDADMN O=C1[C@@H](NCc2cnc3ccccn23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476138 948378113 /nfs/dbraw/zinc/37/81/13/948378113.db2.gz BMHAKYRGGSFYHH-KRWDZBQOSA-N 0 1 388.435 1.800 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705038 948389623 /nfs/dbraw/zinc/38/96/23/948389623.db2.gz VGMTWWFRBWHGMV-KBPBESRZSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573705508 948401688 /nfs/dbraw/zinc/40/16/88/948401688.db2.gz FSJWPGHHDMJXAX-CJNGLKHVSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573708283 948446153 /nfs/dbraw/zinc/44/61/53/948446153.db2.gz SRQIJVGUMGQRMW-GFCCVEGCSA-N 0 1 382.428 1.174 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573715219 948486485 /nfs/dbraw/zinc/48/64/85/948486485.db2.gz RICJTRQASATILD-NXEZZACHSA-N 0 1 384.366 1.188 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1F ZINC001573719738 948528442 /nfs/dbraw/zinc/52/84/42/948528442.db2.gz OSKYHYOFKSAVQD-SNVBAGLBSA-N 0 1 388.382 1.291 20 0 GDADMN C[C@@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[C@H]1CCCO1 ZINC001573720926 948536012 /nfs/dbraw/zinc/53/60/12/948536012.db2.gz SXQGZTYNQMWYSI-RDTXWAMCSA-N 0 1 384.484 1.762 20 0 GDADMN C[C@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)[C@H]1CCCO1 ZINC001573721564 948539494 /nfs/dbraw/zinc/53/94/94/948539494.db2.gz YJQLAWVTJHUBLR-SWLSCSKDSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573721573 948539807 /nfs/dbraw/zinc/53/98/07/948539807.db2.gz YONDCRVKGPUBHZ-LLVKDONJSA-N 0 1 387.394 1.896 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1ccsc1 ZINC001573726673 948550485 /nfs/dbraw/zinc/55/04/85/948550485.db2.gz JFYJLIXFYAYCPJ-MBNYWOFBSA-N 0 1 398.496 1.710 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1cccnc1 ZINC001573727947 948556822 /nfs/dbraw/zinc/55/68/22/948556822.db2.gz NNTGRGAGYFFSNT-VNHYZAJKSA-N 0 1 393.455 1.044 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1cccc(Cl)c1 ZINC001573731896 948598031 /nfs/dbraw/zinc/59/80/31/948598031.db2.gz JUTKSDCHRKXYRB-WDEREUQCSA-N 0 1 386.847 1.452 20 0 GDADMN CC(C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O)=C1CCCC1 ZINC001573740364 948632505 /nfs/dbraw/zinc/63/25/05/948632505.db2.gz JGQHJRHOMXSEHD-NVXWUHKLSA-N 0 1 383.456 1.126 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H](C)n1cccn1 ZINC001573742693 948664923 /nfs/dbraw/zinc/66/49/23/948664923.db2.gz QFMKTJKWGFPUHM-SFYZADRCSA-N 0 1 381.853 1.351 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573751904 948706751 /nfs/dbraw/zinc/70/67/51/948706751.db2.gz HPEPGTNMQKBVIL-NBMRYCAZSA-N 0 1 392.467 1.546 20 0 GDADMN CC(C)c1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nc1 ZINC001574415992 948743296 /nfs/dbraw/zinc/74/32/96/948743296.db2.gz NNXZEDTZLRXNEQ-ZDUSSCGKSA-N 0 1 379.428 1.184 20 0 GDADMN CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574416153 948743709 /nfs/dbraw/zinc/74/37/09/948743709.db2.gz PQHLYGYIJLNPBX-RYUDHWBXSA-N 0 1 381.444 1.216 20 0 GDADMN CC(C)c1ccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574416516 948749116 /nfs/dbraw/zinc/74/91/16/948749116.db2.gz WKHYRCJZNPUINW-AWEZNQCLSA-N 0 1 378.440 1.529 20 0 GDADMN CC(F)(F)C1(C(=O)NC[C@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)CC1 ZINC001575221778 948752615 /nfs/dbraw/zinc/75/26/15/948752615.db2.gz CJMDDDHIPSPVCQ-ZDUSSCGKSA-N 0 1 377.399 1.426 20 0 GDADMN CC(F)(F)C1(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575222739 948758171 /nfs/dbraw/zinc/75/81/71/948758171.db2.gz IEYVGRIEOFPWHS-UHFFFAOYSA-N 0 1 378.387 1.177 20 0 GDADMN CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001574420236 948798310 /nfs/dbraw/zinc/79/83/10/948798310.db2.gz RMEPDGSJPLPYNS-CYBMUJFWSA-N 0 1 381.440 1.010 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574420593 948803538 /nfs/dbraw/zinc/80/35/38/948803538.db2.gz ZMOKFCXOHYYZSV-JOCQHMNTSA-N 0 1 378.440 1.575 20 0 GDADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574918133 948838172 /nfs/dbraw/zinc/83/81/72/948838172.db2.gz GDRQCQGDPBXOMH-CQSZACIVSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574918133 948838185 /nfs/dbraw/zinc/83/81/85/948838185.db2.gz GDRQCQGDPBXOMH-CQSZACIVSA-N 0 1 387.492 1.087 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573762358 948857345 /nfs/dbraw/zinc/85/73/45/948857345.db2.gz UOYAYIPWFUVAOD-CYBMUJFWSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1csnn1 ZINC001574684409 948870232 /nfs/dbraw/zinc/87/02/32/948870232.db2.gz FSXDWAAQFJXOQB-RXMQYKEDSA-N 0 1 385.866 1.449 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573764945 948892504 /nfs/dbraw/zinc/89/25/04/948892504.db2.gz SCTNXWMYSJKSRJ-GHMZBOCLSA-N 0 1 392.414 1.518 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001574088053 948906925 /nfs/dbraw/zinc/90/69/25/948906925.db2.gz ACYDAIFPHOVUTQ-OCABDXPQSA-N 0 1 384.459 1.844 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575235145 948911857 /nfs/dbraw/zinc/91/18/57/948911857.db2.gz JMBIIFWLCRFGIH-LLVKDONJSA-N 0 1 380.403 1.165 20 0 GDADMN C[C@H](CNC(=O)CCc1cscn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574921353 948919860 /nfs/dbraw/zinc/91/98/60/948919860.db2.gz VIXXQBWGCYEOKL-LLVKDONJSA-N 0 1 389.460 1.689 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C(F)F ZINC001573772089 948953589 /nfs/dbraw/zinc/95/35/89/948953589.db2.gz QHIRSDDCVCBNKC-OLZOCXBDSA-N 0 1 391.426 1.814 20 0 GDADMN CC(F)(F)CCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575239866 948966831 /nfs/dbraw/zinc/96/68/31/948966831.db2.gz WWDAVUVIBXAWMF-LLVKDONJSA-N 0 1 380.403 1.567 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574441218 949055155 /nfs/dbraw/zinc/05/51/55/949055155.db2.gz IBDQWPGHBQRQMH-AWEZNQCLSA-N 0 1 381.440 1.982 20 0 GDADMN C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575504782 949089916 /nfs/dbraw/zinc/08/99/16/949089916.db2.gz XVKPFLYJWCJGBU-NWDGAFQWSA-N 0 1 387.469 1.385 20 0 GDADMN C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575504782 949089938 /nfs/dbraw/zinc/08/99/38/949089938.db2.gz XVKPFLYJWCJGBU-NWDGAFQWSA-N 0 1 387.469 1.385 20 0 GDADMN C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251595 949145163 /nfs/dbraw/zinc/14/51/63/949145163.db2.gz BPVJADAINOOXOO-UONOGXRCSA-N 0 1 392.467 1.407 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574447536 949161306 /nfs/dbraw/zinc/16/13/06/949161306.db2.gz RZSJPYKXEVDUBI-HAQNSBGRSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001575253093 949177869 /nfs/dbraw/zinc/17/78/69/949177869.db2.gz IKURDYBUEGWDNE-OLZOCXBDSA-N 0 1 378.440 1.116 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574935637 949203144 /nfs/dbraw/zinc/20/31/44/949203144.db2.gz DVRWVEBOAVMQLU-LBPRGKRZSA-N 0 1 386.406 1.982 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001575853933 949223256 /nfs/dbraw/zinc/22/32/56/949223256.db2.gz PCXHOGKBJCRWLZ-UHFFFAOYSA-N 0 1 386.435 1.669 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574699083 949231070 /nfs/dbraw/zinc/23/10/70/949231070.db2.gz SGXPASJORYHGEC-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574699083 949231088 /nfs/dbraw/zinc/23/10/88/949231088.db2.gz SGXPASJORYHGEC-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575255426 949232705 /nfs/dbraw/zinc/23/27/05/949232705.db2.gz QBVMSIWFKTVFQA-QWHCGFSZSA-N 0 1 388.451 1.518 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574451393 949232726 /nfs/dbraw/zinc/23/27/26/949232726.db2.gz OVHIZEUZHOABLE-HNNXBMFYSA-N 0 1 382.428 1.416 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001575854464 949233305 /nfs/dbraw/zinc/23/33/05/949233305.db2.gz YEBTYLFBIPCLFX-CQSZACIVSA-N 0 1 385.472 1.293 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)Cc2cscn2)CC1 ZINC001575854674 949240735 /nfs/dbraw/zinc/24/07/35/949240735.db2.gz ZWGDYOILTLMXFG-UHFFFAOYSA-N 0 1 384.469 1.176 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574940160 949253599 /nfs/dbraw/zinc/25/35/99/949253599.db2.gz ABVPSRULQMPKHR-LLVKDONJSA-N 0 1 386.847 1.139 20 0 GDADMN C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576152547 949254869 /nfs/dbraw/zinc/25/48/69/949254869.db2.gz JJWWKIZDUIWCSO-YJYMSZOUSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574452967 949272589 /nfs/dbraw/zinc/27/25/89/949272589.db2.gz SXPNXBBVXBSBOU-CYBMUJFWSA-N 0 1 381.444 1.295 20 0 GDADMN CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574452954 949274883 /nfs/dbraw/zinc/27/48/83/949274883.db2.gz SMVPWJCNPCRNKE-CQSZACIVSA-N 0 1 381.444 1.178 20 0 GDADMN CC(C)n1ccc(C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC001574457178 949316266 /nfs/dbraw/zinc/31/62/66/949316266.db2.gz AXFSPCILWBWVJY-UHFFFAOYSA-N 0 1 388.501 1.910 20 0 GDADMN CC(C)(C)C(=O)N1CCO[C@@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573796960 949345364 /nfs/dbraw/zinc/34/53/64/949345364.db2.gz YLWHHDMIHYZTRB-AWEZNQCLSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H]1CCC[C@@H](OCC(=O)NCCNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576154626 949348920 /nfs/dbraw/zinc/34/89/20/949348920.db2.gz QIQIVDIYSJLKPB-XJKSGUPXSA-N 0 1 390.463 1.807 20 0 GDADMN CC(C)n1ccc(CN[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001574459362 949353456 /nfs/dbraw/zinc/35/34/56/949353456.db2.gz BWZWHJWRRGPDLH-NNUKFRKNSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@@H](NC(=O)C1CC(F)(F)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260980 949368537 /nfs/dbraw/zinc/36/85/37/949368537.db2.gz ZCDYXSFGJVZMAW-LLVKDONJSA-N 0 1 376.411 1.849 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704214 949377818 /nfs/dbraw/zinc/37/78/18/949377818.db2.gz AZFKJJVMZDJSOX-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704213 949377984 /nfs/dbraw/zinc/37/79/84/949377984.db2.gz AZFKJJVMZDJSOX-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)n1ccc(CN[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574460633 949378789 /nfs/dbraw/zinc/37/87/89/949378789.db2.gz UTXZPFFQGWSROC-XBXGTLAGSA-N 0 1 383.460 1.270 20 0 GDADMN CC(C)n1ccc(CN[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C2CC2)n1 ZINC001574460653 949379997 /nfs/dbraw/zinc/37/99/97/949379997.db2.gz VWXZAUWVXNGPHQ-INIZCTEOSA-N 0 1 383.460 1.270 20 0 GDADMN CC1(C)CN(C(=O)C2(C)CCCCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575528187 949388260 /nfs/dbraw/zinc/38/82/60/949388260.db2.gz OAENAFFRFAJUBE-ZDUSSCGKSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)n1cnc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574464194 949401437 /nfs/dbraw/zinc/40/14/37/949401437.db2.gz JAKYYKDYCVVUMA-CYBMUJFWSA-N 0 1 381.444 1.035 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574464220 949402600 /nfs/dbraw/zinc/40/26/00/949402600.db2.gz GFVWWIQGHXXBQH-INIZCTEOSA-N 0 1 380.456 1.687 20 0 GDADMN CC(C)CC(=O)NC1(CO)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001574114446 949411789 /nfs/dbraw/zinc/41/17/89/949411789.db2.gz UJVWVHXFTRSUCD-UHFFFAOYSA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576155595 949413732 /nfs/dbraw/zinc/41/37/32/949413732.db2.gz JJCVOSYCFSQUKE-ZFWWWQNUSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](CN(C)C(=O)C1CCC(O)CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574705583 949429174 /nfs/dbraw/zinc/42/91/74/949429174.db2.gz IYYLSIGSIVINDK-FUJMWEONSA-N 0 1 390.463 1.493 20 0 GDADMN CC(C)(C)C(=O)NCCN1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001573802913 949431671 /nfs/dbraw/zinc/43/16/71/949431671.db2.gz LZGOAKQXEDWUCY-UHFFFAOYSA-N 0 1 390.467 1.439 20 0 GDADMN C[C@H](CNC(=O)Cn1cc(Cl)cn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574947497 949447965 /nfs/dbraw/zinc/44/79/65/949447965.db2.gz BOZJCOJOMBYWEC-SNVBAGLBSA-N 0 1 392.826 1.150 20 0 GDADMN CC(C)CC(=O)NC[C@@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574117462 949469324 /nfs/dbraw/zinc/46/93/24/949469324.db2.gz VCJPKXNGGOJVGP-SFHVURJKSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575536396 949470087 /nfs/dbraw/zinc/47/00/87/949470087.db2.gz IBPFFVDDXJBUJY-YCRPNKLZSA-N 0 1 389.463 1.601 20 0 GDADMN C[C@H](CNC(=O)Cn1cc(Cl)cn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574949395 949495142 /nfs/dbraw/zinc/49/51/42/949495142.db2.gz VOMBRIVGOBRNEI-SNVBAGLBSA-N 0 1 392.826 1.150 20 0 GDADMN CC(C)n1nccc1C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574470417 949498980 /nfs/dbraw/zinc/49/89/80/949498980.db2.gz PQWAPHAZYZBPIU-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575538898 949534575 /nfs/dbraw/zinc/53/45/75/949534575.db2.gz KOCKGYLWEBDLKU-YVEFUNNKSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575538898 949534591 /nfs/dbraw/zinc/53/45/91/949534591.db2.gz KOCKGYLWEBDLKU-YVEFUNNKSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H](NC(=O)C[C@@H]1CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575269163 949542111 /nfs/dbraw/zinc/54/21/11/949542111.db2.gz RTZLQTDLUDAUCL-OCCSQVGLSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@@H](NC(=O)CC[C@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575271351 949619065 /nfs/dbraw/zinc/61/90/65/949619065.db2.gz JSGJVMYIOYVUMY-OLZOCXBDSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574476915 949630645 /nfs/dbraw/zinc/63/06/45/949630645.db2.gz LVAXDNWMSXIAPO-CQSZACIVSA-N 0 1 383.460 1.394 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574957990 949647040 /nfs/dbraw/zinc/64/70/40/949647040.db2.gz KNGMHTZATZWYJQ-JIRONKKISA-N 0 1 388.447 1.415 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573815191 949648080 /nfs/dbraw/zinc/64/80/80/949648080.db2.gz GVZZQPGIGSIVFY-CABCVRRESA-N 0 1 392.467 1.361 20 0 GDADMN CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575553609 949688583 /nfs/dbraw/zinc/68/85/83/949688583.db2.gz NCBWLHUDBYUQQF-LBPRGKRZSA-N 0 1 376.486 1.435 20 0 GDADMN CC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575553609 949688601 /nfs/dbraw/zinc/68/86/01/949688601.db2.gz NCBWLHUDBYUQQF-LBPRGKRZSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574958787 949693954 /nfs/dbraw/zinc/69/39/54/949693954.db2.gz NKYMCQIPQGXSGN-VHDGCEQUSA-N 0 1 378.440 1.047 20 0 GDADMN CC(C)(C)[C@H](CNc1cccc(F)c1-c1nn[nH]n1)NC(=O)Cc1nnc[nH]1 ZINC001573817164 949699056 /nfs/dbraw/zinc/69/90/56/949699056.db2.gz XWWVIBZIKTWTKM-LBPRGKRZSA-N 0 1 387.423 1.309 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1csc(=O)[nH]1 ZINC001573818099 949719435 /nfs/dbraw/zinc/71/94/35/949719435.db2.gz GCYSXXRMXHOHBS-GFCCVEGCSA-N 0 1 388.457 1.102 20 0 GDADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1cnns1 ZINC001576170502 949719618 /nfs/dbraw/zinc/71/96/18/949719618.db2.gz LOHADJLHJKVXAH-HZMBPMFUSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574480418 949748226 /nfs/dbraw/zinc/74/82/26/949748226.db2.gz IGYIEMYBERHLMQ-KBPBESRZSA-N 0 1 381.440 1.731 20 0 GDADMN CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001575560087 949776185 /nfs/dbraw/zinc/77/61/85/949776185.db2.gz KHKUAQIIPTYSAM-AGUYFDCRSA-N 0 1 382.472 1.853 20 0 GDADMN CC(C)C[C@@H](C)CN1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574138242 949785597 /nfs/dbraw/zinc/78/55/97/949785597.db2.gz BPJLSNMQTFGYLE-UKRRQHHQSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574965862 949824622 /nfs/dbraw/zinc/82/46/22/949824622.db2.gz NPWPUNHNZDIPLE-SECBINFHSA-N 0 1 391.357 1.934 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172915 949826023 /nfs/dbraw/zinc/82/60/23/949826023.db2.gz ZIURVYCLRNHIBS-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172915 949826041 /nfs/dbraw/zinc/82/60/41/949826041.db2.gz ZIURVYCLRNHIBS-HIFRSBDPSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575885040 949860610 /nfs/dbraw/zinc/86/06/10/949860610.db2.gz KCODRABMTMUSSB-KOLCDFICSA-N 0 1 387.835 1.426 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574484198 949866327 /nfs/dbraw/zinc/86/63/27/949866327.db2.gz FGCMCRWGMYHXIT-LSDHHAIUSA-N 0 1 380.456 1.539 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574484197 949866684 /nfs/dbraw/zinc/86/66/84/949866684.db2.gz FGCMCRWGMYHXIT-HUUCEWRRSA-N 0 1 380.456 1.539 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574485228 949918095 /nfs/dbraw/zinc/91/80/95/949918095.db2.gz VLFNIHJHQZZXOS-GOEBONIOSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576180449 949955435 /nfs/dbraw/zinc/95/54/35/949955435.db2.gz HZJMLFDWKDJRRU-GWCFXTLKSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576180449 949955447 /nfs/dbraw/zinc/95/54/47/949955447.db2.gz HZJMLFDWKDJRRU-GWCFXTLKSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2cccnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180523 949959147 /nfs/dbraw/zinc/95/91/47/949959147.db2.gz DWYNVZKIRJIJEX-ZBFHGGJFSA-N 0 1 392.467 1.218 20 0 GDADMN CC1(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)CCCCC1 ZINC001575571961 949965683 /nfs/dbraw/zinc/96/56/83/949965683.db2.gz BRDWDOFNDKGCOR-CQSZACIVSA-N 0 1 390.463 1.543 20 0 GDADMN CC1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOCC1 ZINC001575572887 949984323 /nfs/dbraw/zinc/98/43/23/949984323.db2.gz IWPAOAAQGBONSS-AWEZNQCLSA-N 0 1 390.513 1.729 20 0 GDADMN CC1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOCC1 ZINC001575572887 949984343 /nfs/dbraw/zinc/98/43/43/949984343.db2.gz IWPAOAAQGBONSS-AWEZNQCLSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891660 950024374 /nfs/dbraw/zinc/02/43/74/950024374.db2.gz MKGTTWMXOOCGIV-RISCZKNCSA-N 0 1 382.403 1.583 20 0 GDADMN C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182046 950036528 /nfs/dbraw/zinc/03/65/28/950036528.db2.gz KRSNWDUNFWDPEE-QWHCGFSZSA-N 0 1 388.451 1.115 20 0 GDADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)Cc2ccccc21 ZINC001595287785 950055285 /nfs/dbraw/zinc/05/52/85/950055285.db2.gz PAHRGJAKUDURJT-VQIMIIECSA-N 0 1 396.443 1.995 20 0 GDADMN C[C@@]1(C(=O)NCC2(NCc3ccc(-c4nn[nH]n4)cc3F)CCC2)CCOC1 ZINC001575576054 950061772 /nfs/dbraw/zinc/06/17/72/950061772.db2.gz NCRDNNPAMGZBOD-GOSISDBHSA-N 0 1 388.447 1.561 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H]1CCCO1 ZINC001574151206 950063525 /nfs/dbraw/zinc/06/35/25/950063525.db2.gz NKOXCLQZHIMRAL-DOTOQJQBSA-N 0 1 390.463 1.805 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cocn1 ZINC001574151643 950090873 /nfs/dbraw/zinc/09/08/73/950090873.db2.gz WXJAZWRTOWAJFW-CQSZACIVSA-N 0 1 387.419 1.928 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183443 950091091 /nfs/dbraw/zinc/09/10/91/950091091.db2.gz SARYGDUFCMLEEM-CXAGYDPISA-N 0 1 378.440 1.431 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1nccs1 ZINC001576183743 950102041 /nfs/dbraw/zinc/10/20/41/950102041.db2.gz UJBWIEZHYSHOJZ-BXUZGUMPSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184658 950136456 /nfs/dbraw/zinc/13/64/56/950136456.db2.gz WWHJOVXRCSJJAI-AAEUAGOBSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575584006 950158848 /nfs/dbraw/zinc/15/88/48/950158848.db2.gz OGKNNZRXAHZSNQ-KJBLDROHSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575584006 950158856 /nfs/dbraw/zinc/15/88/56/950158856.db2.gz OGKNNZRXAHZSNQ-KJBLDROHSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001574494497 950166431 /nfs/dbraw/zinc/16/64/31/950166431.db2.gz ZRYRGRSSGUHMPQ-GUYCJALGSA-N 0 1 385.472 1.552 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574154285 950167656 /nfs/dbraw/zinc/16/76/56/950167656.db2.gz CTEHIIXDULYNQG-GHMZBOCLSA-N 0 1 382.419 1.313 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001574156171 950229209 /nfs/dbraw/zinc/22/92/09/950229209.db2.gz YFFDGPXTUCKXPG-KSMMKXTCSA-N 0 1 384.488 1.602 20 0 GDADMN O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379602836 971647744 /nfs/dbraw/zinc/64/77/44/971647744.db2.gz DSBLJPQDLVPNCO-AWEZNQCLSA-N 0 1 378.454 1.441 20 0 GDADMN O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379602836 971647749 /nfs/dbraw/zinc/64/77/49/971647749.db2.gz DSBLJPQDLVPNCO-AWEZNQCLSA-N 0 1 378.454 1.441 20 0 GDADMN C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192740 950263163 /nfs/dbraw/zinc/26/31/63/950263163.db2.gz QPURLYYXMRNRPG-AALSBFMBSA-N 0 1 381.484 1.626 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906047 950303585 /nfs/dbraw/zinc/30/35/85/950303585.db2.gz GIOKINOGPQODRY-JOYOIKCWSA-N 0 1 375.433 1.788 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cc(F)c[nH]1 ZINC001575906047 950303607 /nfs/dbraw/zinc/30/36/07/950303607.db2.gz GIOKINOGPQODRY-JOYOIKCWSA-N 0 1 375.433 1.788 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ncccc1F ZINC001575906346 950312475 /nfs/dbraw/zinc/31/24/75/950312475.db2.gz HQBPQUJVIDVRQF-ZWNOBZJWSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ncccc1F ZINC001575906346 950312493 /nfs/dbraw/zinc/31/24/93/950312493.db2.gz HQBPQUJVIDVRQF-ZWNOBZJWSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccsn1 ZINC001575906991 950326320 /nfs/dbraw/zinc/32/63/20/950326320.db2.gz LNDYAGMQLSRKRM-GXSJLCMTSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccsn1 ZINC001575906991 950326338 /nfs/dbraw/zinc/32/63/38/950326338.db2.gz LNDYAGMQLSRKRM-GXSJLCMTSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576194017 950327053 /nfs/dbraw/zinc/32/70/53/950327053.db2.gz XMIIVPOCVYGAOJ-ZFWWWQNUSA-N 0 1 378.440 1.289 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576196206 950350817 /nfs/dbraw/zinc/35/08/17/950350817.db2.gz ANRFXBSFEZBRNC-HOCLYGCPSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576196206 950350834 /nfs/dbraw/zinc/35/08/34/950350834.db2.gz ANRFXBSFEZBRNC-HOCLYGCPSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c(F)cccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574744309 950354305 /nfs/dbraw/zinc/35/43/05/950354305.db2.gz YNXMWNFMVLHPCC-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574502274 950369554 /nfs/dbraw/zinc/36/95/54/950369554.db2.gz LJEZVCNDWAZEQB-GOEBONIOSA-N 0 1 392.467 1.936 20 0 GDADMN CC(C)n1ccc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)n1 ZINC001575909809 950410741 /nfs/dbraw/zinc/41/07/41/950410741.db2.gz IIAQJAWMXAUYRQ-SWLSCSKDSA-N 0 1 383.460 1.365 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576198832 950414207 /nfs/dbraw/zinc/41/42/07/950414207.db2.gz VQXHQUYUVAYHFE-GOEBONIOSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576198832 950414215 /nfs/dbraw/zinc/41/42/15/950414215.db2.gz VQXHQUYUVAYHFE-GOEBONIOSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(Cl)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751652 950460815 /nfs/dbraw/zinc/46/08/15/950460815.db2.gz PVRHQJJGCPZNEB-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc2ccccc2n1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751639 950461471 /nfs/dbraw/zinc/46/14/71/950461471.db2.gz PPHAVHYOYOUXLW-LBPRGKRZSA-N 0 1 391.439 1.143 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1[O-] ZINC001575912984 950473610 /nfs/dbraw/zinc/47/36/10/950473610.db2.gz SJICUTZJRZVDQF-WFASDCNBSA-N 0 1 379.424 1.360 20 0 GDADMN C[C@@H](CNC(=O)CN1CCC(C)CC1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576204774 950478248 /nfs/dbraw/zinc/47/82/48/950478248.db2.gz CBAZQCDAZZZHDL-LBPRGKRZSA-N 0 1 376.440 1.049 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc[nH]c(=O)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574752401 950482374 /nfs/dbraw/zinc/48/23/74/950482374.db2.gz WNGGNJYEXMFOJD-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001576205223 950503116 /nfs/dbraw/zinc/50/31/16/950503116.db2.gz HKRALEPOOFEHNQ-OLZOCXBDSA-N 0 1 375.452 1.289 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001576205223 950503134 /nfs/dbraw/zinc/50/31/34/950503134.db2.gz HKRALEPOOFEHNQ-OLZOCXBDSA-N 0 1 375.452 1.289 20 0 GDADMN C[C@H](CNC(=O)c1cc(Br)co1)Nc1ccncc1-c1nn[nH]n1 ZINC001574995659 950509057 /nfs/dbraw/zinc/50/90/57/950509057.db2.gz GENHKMMYDLHUSN-MRVPVSSYSA-N 0 1 392.217 1.270 20 0 GDADMN CC(C)[C@@H](CNC(=O)CN1CCC(C)CC1)Nc1ncccc1-c1nn[nH]n1 ZINC001576205629 950528174 /nfs/dbraw/zinc/52/81/74/950528174.db2.gz LEMGPTPAPUFMAK-MRXNPFEDSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@H](CC(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574511061 950550957 /nfs/dbraw/zinc/55/09/57/950550957.db2.gz FMDRIPHFXMRDGY-CHWSQXEVSA-N 0 1 384.488 1.814 20 0 GDADMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@@H+](CC)[C@H](C)C(=O)[O-])nc2c1 ZINC001589739090 950551050 /nfs/dbraw/zinc/55/10/50/950551050.db2.gz CRPQMAHRLATCFQ-GFCCVEGCSA-N 0 1 382.486 1.888 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573869681 950572619 /nfs/dbraw/zinc/57/26/19/950572619.db2.gz BACSEQQVMNBDHO-CQSZACIVSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001574758960 950623916 /nfs/dbraw/zinc/62/39/16/950623916.db2.gz IJJZTPBOUANLPR-SNVBAGLBSA-N 0 1 388.382 1.589 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575001163 950624654 /nfs/dbraw/zinc/62/46/54/950624654.db2.gz UMSKKXKAWAQCEF-MRVPVSSYSA-N 0 1 376.783 1.102 20 0 GDADMN CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cc2)CC1 ZINC001589743938 950634370 /nfs/dbraw/zinc/63/43/70/950634370.db2.gz FSKLLGFKSJIPGO-JCNLHEQBSA-N 0 1 388.468 1.378 20 0 GDADMN CC1(C)CC(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001575624077 950661702 /nfs/dbraw/zinc/66/17/02/950661702.db2.gz FTNAUSWNFFAPTA-CYBMUJFWSA-N 0 1 390.513 1.681 20 0 GDADMN CC1(C)CC(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001575624077 950661722 /nfs/dbraw/zinc/66/17/22/950661722.db2.gz FTNAUSWNFFAPTA-CYBMUJFWSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575926541 950714975 /nfs/dbraw/zinc/71/49/75/950714975.db2.gz XNPJZVLXRNRURY-XHDPSFHLSA-N 0 1 382.472 1.306 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575926960 950727083 /nfs/dbraw/zinc/72/70/83/950727083.db2.gz MZKWFWYILQEXEJ-WBMJQRKESA-N 0 1 381.415 1.467 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576216595 950736174 /nfs/dbraw/zinc/73/61/74/950736174.db2.gz DUJHHFMTJYFYMD-CZUORRHYSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574764727 950756085 /nfs/dbraw/zinc/75/60/85/950756085.db2.gz XHXNBNLWRBOXIM-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574764727 950756104 /nfs/dbraw/zinc/75/61/04/950756104.db2.gz XHXNBNLWRBOXIM-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1nccs1 ZINC001575928103 950772418 /nfs/dbraw/zinc/77/24/18/950772418.db2.gz YPSSYRLNMNWIDD-WCQYABFASA-N 0 1 384.469 1.174 20 0 GDADMN CC(C)(C)c1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884005 950778396 /nfs/dbraw/zinc/77/83/96/950778396.db2.gz BZJLGPZWKLKBCZ-ZDUSSCGKSA-N 0 1 392.467 1.703 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ncccn1 ZINC001575931099 950799336 /nfs/dbraw/zinc/79/93/36/950799336.db2.gz GTZMIBQFBAJFMP-YUMQZZPRSA-N 0 1 391.848 1.482 20 0 GDADMN CC1(C)CC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575632526 950799595 /nfs/dbraw/zinc/79/95/95/950799595.db2.gz LCGBBMLEUHYGKL-MCIONIFRSA-N 0 1 382.472 1.709 20 0 GDADMN C[C@H]1[C@@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c[nH]nc21 ZINC001575936444 950912433 /nfs/dbraw/zinc/91/24/33/950912433.db2.gz DVPNGPAZIMYZII-NHYWBVRUSA-N 0 1 389.423 1.853 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576228323 950940735 /nfs/dbraw/zinc/94/07/35/950940735.db2.gz HAFVNRDMWJSZSR-ZIAGYGMSSA-N 0 1 385.472 1.007 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001575017109 950976905 /nfs/dbraw/zinc/97/69/05/950976905.db2.gz ADCXOHVSXMXHFB-CYBMUJFWSA-N 0 1 380.456 1.680 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575644338 950983088 /nfs/dbraw/zinc/98/30/88/950983088.db2.gz SRJCDSRXHIFPPS-ZDUSSCGKSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576229876 950983426 /nfs/dbraw/zinc/98/34/26/950983426.db2.gz ONJGOCSTBWDRJR-DZGCQCFKSA-N 0 1 385.472 1.007 20 0 GDADMN CC(C)CCCN1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001574195437 950983410 /nfs/dbraw/zinc/98/34/10/950983410.db2.gz OMOXMQYMFUSFLN-OAHLLOKOSA-N 0 1 387.488 1.594 20 0 GDADMN CC(C)CCCN1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195655 951001072 /nfs/dbraw/zinc/00/10/72/951001072.db2.gz VUXPGAFPTZGYHF-SFHVURJKSA-N 0 1 375.477 1.452 20 0 GDADMN CC(C)n1cc(CN[C@H](C)C[C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001574530946 951006984 /nfs/dbraw/zinc/00/69/84/951006984.db2.gz DXVFIDJRKLDKAM-NEPJUHHUSA-N 0 1 386.464 1.054 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Br)o1)Nc1ccncc1-c1nn[nH]n1 ZINC001575019853 951048370 /nfs/dbraw/zinc/04/83/70/951048370.db2.gz WKTJDVJJYHAKJU-QMMMGPOBSA-N 0 1 392.217 1.270 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575020067 951051894 /nfs/dbraw/zinc/05/18/94/951051894.db2.gz XDYAVSLGYBQZTM-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575024328 951098944 /nfs/dbraw/zinc/09/89/44/951098944.db2.gz AXUGBJUKFNNPLB-NSHDSACASA-N 0 1 386.485 1.297 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575024328 951098956 /nfs/dbraw/zinc/09/89/56/951098956.db2.gz AXUGBJUKFNNPLB-NSHDSACASA-N 0 1 386.485 1.297 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024784 951115310 /nfs/dbraw/zinc/11/53/10/951115310.db2.gz MOTTYNVOBCQFEG-LBPRGKRZSA-N 0 1 376.424 1.268 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@H]3C(=O)[O-])CC2)C1 ZINC000333371300 951129338 /nfs/dbraw/zinc/12/93/38/951129338.db2.gz FQOJNQRCHFSQPA-GJYPPUQNSA-N 0 1 393.528 1.669 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@H]3C(=O)[O-])CC2)C1 ZINC000333371300 951129346 /nfs/dbraw/zinc/12/93/46/951129346.db2.gz FQOJNQRCHFSQPA-GJYPPUQNSA-N 0 1 393.528 1.669 20 0 GDADMN CC(C)c1ccccc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575028944 951179312 /nfs/dbraw/zinc/17/93/12/951179312.db2.gz QBMJPGDKBUSVCW-CYBMUJFWSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(Cl)n1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575044791 951418005 /nfs/dbraw/zinc/41/80/05/951418005.db2.gz VCJQMJCDCOGNHK-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1ccncc1-c1nn[nH]n1 ZINC001575044926 951421059 /nfs/dbraw/zinc/42/10/59/951421059.db2.gz XQPCVPJANCMGMK-JTQLQIEISA-N 0 1 386.485 1.668 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575046714 951444862 /nfs/dbraw/zinc/44/48/62/951444862.db2.gz RIJLEIWNSANNJS-VIFPVBQESA-N 0 1 377.861 1.885 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(Cl)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575046714 951444866 /nfs/dbraw/zinc/44/48/66/951444866.db2.gz RIJLEIWNSANNJS-VIFPVBQESA-N 0 1 377.861 1.885 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575052394 951464342 /nfs/dbraw/zinc/46/43/42/951464342.db2.gz IEVJELNHJWWIGD-LBPRGKRZSA-N 0 1 381.444 1.083 20 0 GDADMN C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575060696 951546420 /nfs/dbraw/zinc/54/64/20/951546420.db2.gz DIGLMRVIKREAFX-JTQLQIEISA-N 0 1 384.419 1.126 20 0 GDADMN C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575060796 951547316 /nfs/dbraw/zinc/54/73/16/951547316.db2.gz GTCLXXMRSOFSFJ-SSDOTTSWSA-N 0 1 379.837 1.021 20 0 GDADMN C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575062795 951571782 /nfs/dbraw/zinc/57/17/82/951571782.db2.gz YMZSRJFOLZSIFO-QMMMGPOBSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575067443 951612215 /nfs/dbraw/zinc/61/22/15/951612215.db2.gz SOJDBTLNYASCOM-LLVKDONJSA-N 0 1 382.428 1.171 20 0 GDADMN C[C@@H](CNC(=O)c1ncc(F)cc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575068245 951631503 /nfs/dbraw/zinc/63/15/03/951631503.db2.gz YPCCFQYDHRQLMG-VIFPVBQESA-N 0 1 391.357 1.587 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575091940 951787293 /nfs/dbraw/zinc/78/72/93/951787293.db2.gz ZIPTXDXYRDVNPU-QGZVFWFLSA-N 0 1 390.513 1.608 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575091940 951787304 /nfs/dbraw/zinc/78/73/04/951787304.db2.gz ZIPTXDXYRDVNPU-QGZVFWFLSA-N 0 1 390.513 1.608 20 0 GDADMN C[C@H](CNC(=O)c1cnoc1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098100 951819420 /nfs/dbraw/zinc/81/94/20/951819420.db2.gz AQUGJRIAXJFPDE-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)c1cnoc1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098100 951819428 /nfs/dbraw/zinc/81/94/28/951819428.db2.gz AQUGJRIAXJFPDE-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)COc1cccnc1 ZINC001575099032 951827130 /nfs/dbraw/zinc/82/71/30/951827130.db2.gz HLTBLZWOOBNUIK-LBPRGKRZSA-N 0 1 387.469 1.339 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)COc1cccnc1 ZINC001575099032 951827132 /nfs/dbraw/zinc/82/71/32/951827132.db2.gz HLTBLZWOOBNUIK-LBPRGKRZSA-N 0 1 387.469 1.339 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)on1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100804 951846428 /nfs/dbraw/zinc/84/64/28/951846428.db2.gz VKDKSQYBSHAIOY-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)on1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100804 951846439 /nfs/dbraw/zinc/84/64/39/951846439.db2.gz VKDKSQYBSHAIOY-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001575100908 951848988 /nfs/dbraw/zinc/84/89/88/951848988.db2.gz WORZPLBBCARMHQ-GFCCVEGCSA-N 0 1 388.501 1.861 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001575100908 951848996 /nfs/dbraw/zinc/84/89/96/951848996.db2.gz WORZPLBBCARMHQ-GFCCVEGCSA-N 0 1 388.501 1.861 20 0 GDADMN C[C@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100929 951849932 /nfs/dbraw/zinc/84/99/32/951849932.db2.gz WXEHCASITQHTCK-ZDUSSCGKSA-N 0 1 392.529 1.977 20 0 GDADMN C[C@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100929 951849942 /nfs/dbraw/zinc/84/99/42/951849942.db2.gz WXEHCASITQHTCK-ZDUSSCGKSA-N 0 1 392.529 1.977 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575102363 951868642 /nfs/dbraw/zinc/86/86/42/951868642.db2.gz LUOYKORKOHKUKV-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575102363 951868652 /nfs/dbraw/zinc/86/86/52/951868652.db2.gz LUOYKORKOHKUKV-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN O=C([O-])COCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001595108197 951897865 /nfs/dbraw/zinc/89/78/65/951897865.db2.gz JBMYENJHVKXZSD-UHFFFAOYSA-N 0 1 385.258 1.631 20 0 GDADMN C[C@@H](CNCc1nccn1C(F)F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119304 951988799 /nfs/dbraw/zinc/98/87/99/951988799.db2.gz WSKVXSBAHCFVDF-VIFPVBQESA-N 0 1 379.375 1.037 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575139662 952140833 /nfs/dbraw/zinc/14/08/33/952140833.db2.gz AAHRAGSZFYMNER-GOSISDBHSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc(C2CC2)c1 ZINC001575144065 952161359 /nfs/dbraw/zinc/16/13/59/952161359.db2.gz FVZRKUTXDWEUNY-GFCCVEGCSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575144906 952174550 /nfs/dbraw/zinc/17/45/50/952174550.db2.gz ZCVMMVFSWSNRJL-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575144943 952176133 /nfs/dbraw/zinc/17/61/33/952176133.db2.gz ZLPPYFDXUHECMB-INIZCTEOSA-N 0 1 388.432 1.290 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575145655 952188287 /nfs/dbraw/zinc/18/82/87/952188287.db2.gz CHFINQLYPDZTPU-KBPBESRZSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575147160 952199255 /nfs/dbraw/zinc/19/92/55/952199255.db2.gz RGUAAZKVHQKFTB-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1csnn1 ZINC001575165046 952302237 /nfs/dbraw/zinc/30/22/37/952302237.db2.gz JXVILSDYQRRLLT-YFKPBYRVSA-N 0 1 385.866 1.401 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccn(C)n1 ZINC001575166529 952325196 /nfs/dbraw/zinc/32/51/96/952325196.db2.gz XFWSTBCCUXMDGW-ZETCQYMHSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C1=COCCO1 ZINC001575166413 952325845 /nfs/dbraw/zinc/32/58/45/952325845.db2.gz VYZXCQNPKHVGBI-SSDOTTSWSA-N 0 1 385.837 1.124 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575197141 952478887 /nfs/dbraw/zinc/47/88/87/952478887.db2.gz OAHZMNXUOAWUFI-UONOGXRCSA-N 0 1 381.440 1.676 20 0 GDADMN O=C(C1Cc2ccccc2C1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571117145 952479302 /nfs/dbraw/zinc/47/93/02/952479302.db2.gz HEXDVVOHAMBARJ-INIZCTEOSA-N 0 1 375.436 1.111 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575197303 952481992 /nfs/dbraw/zinc/48/19/92/952481992.db2.gz SJTAMNXSWBMUQB-CHWSQXEVSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1nccs1 ZINC001571118097 952486553 /nfs/dbraw/zinc/48/65/53/952486553.db2.gz USJCAQNCGRUFGN-MWLCHTKSSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1nccs1 ZINC001571118097 952486555 /nfs/dbraw/zinc/48/65/55/952486555.db2.gz USJCAQNCGRUFGN-MWLCHTKSSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575201270 952501612 /nfs/dbraw/zinc/50/16/12/952501612.db2.gz HZOZQESKYJZHIN-NEPJUHHUSA-N 0 1 384.419 1.621 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@]2(C1)CCCN(C/C=C\Cl)C2 ZINC001571120938 952511187 /nfs/dbraw/zinc/51/11/87/952511187.db2.gz SEQJEAYDGWJZRL-OMUXJLDVSA-N 0 1 375.864 1.875 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@]2(C1)CCCN(C/C=C\Cl)C2 ZINC001571120936 952511328 /nfs/dbraw/zinc/51/13/28/952511328.db2.gz SEQJEAYDGWJZRL-NCSHICFUSA-N 0 1 375.864 1.875 20 0 GDADMN CC[C@H](SC)C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571121189 952516134 /nfs/dbraw/zinc/51/61/34/952516134.db2.gz XYLXEVNUJTYWEU-DOMZBBRYSA-N 0 1 375.502 1.537 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC2(C3(O)CCC3)CC2)cc1-c1nn[nH]n1 ZINC001571121914 952521737 /nfs/dbraw/zinc/52/17/37/952521737.db2.gz DXQCZFOSYHXKAK-UHFFFAOYSA-N 0 1 376.442 1.114 20 0 GDADMN COCC(=O)N1C[C@]2(C)C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@]2(C)C1 ZINC001571122737 952524771 /nfs/dbraw/zinc/52/47/71/952524771.db2.gz JPAYYVPEYSJDAG-CALCHBBNSA-N 0 1 376.486 1.245 20 0 GDADMN COCC(=O)N1C[C@]2(C)C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@]2(C)C1 ZINC001571122737 952524776 /nfs/dbraw/zinc/52/47/76/952524776.db2.gz JPAYYVPEYSJDAG-CALCHBBNSA-N 0 1 376.486 1.245 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123393 952529779 /nfs/dbraw/zinc/52/97/79/952529779.db2.gz RDCOBGUMYOCLSN-GXTWGEPZSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123393 952529784 /nfs/dbraw/zinc/52/97/84/952529784.db2.gz RDCOBGUMYOCLSN-GXTWGEPZSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123393 952529788 /nfs/dbraw/zinc/52/97/88/952529788.db2.gz RDCOBGUMYOCLSN-GXTWGEPZSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001571123393 952529792 /nfs/dbraw/zinc/52/97/92/952529792.db2.gz RDCOBGUMYOCLSN-GXTWGEPZSA-N 0 1 376.486 1.388 20 0 GDADMN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cnsn1 ZINC001571123405 952531355 /nfs/dbraw/zinc/53/13/55/952531355.db2.gz RJZBCMZZPKLEED-KYZUINATSA-N 0 1 376.471 1.078 20 0 GDADMN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnsn1 ZINC001571123405 952531361 /nfs/dbraw/zinc/53/13/61/952531361.db2.gz RJZBCMZZPKLEED-KYZUINATSA-N 0 1 376.471 1.078 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571124673 952543014 /nfs/dbraw/zinc/54/30/14/952543014.db2.gz QZNVQTQXCVPCNB-GHMZBOCLSA-N 0 1 377.399 1.235 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571124853 952545529 /nfs/dbraw/zinc/54/55/29/952545529.db2.gz WMGVVOOYZZWUGM-IJLUTSLNSA-N 0 1 377.399 1.426 20 0 GDADMN Cc1ccc(OCC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571140108 952623385 /nfs/dbraw/zinc/62/33/85/952623385.db2.gz ACJGDAYGZJHGIZ-AWEZNQCLSA-N 0 1 379.424 1.084 20 0 GDADMN COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)cc1 ZINC001571140746 952628924 /nfs/dbraw/zinc/62/89/24/952628924.db2.gz FLVRVYPATMHOOG-UHFFFAOYSA-N 0 1 379.424 1.541 20 0 GDADMN C[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cn[nH]c1 ZINC001571152639 952683087 /nfs/dbraw/zinc/68/30/87/952683087.db2.gz IWJDPTCPKAETRE-POYBYMJQSA-N 0 1 379.837 1.415 20 0 GDADMN CC1(C(=O)N[C@@H]2[C@H]3CN(c4nc(-c5nn[nH]n5)c(Cl)s4)C[C@H]32)CCC1 ZINC001571153938 952688470 /nfs/dbraw/zinc/68/84/70/952688470.db2.gz WKTLBZPVAXYTMJ-BRPSZJMVSA-N 0 1 379.877 1.718 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156548 952702239 /nfs/dbraw/zinc/70/22/39/952702239.db2.gz DEZXKCLSYAGEFV-GFCCVEGCSA-N 0 1 379.428 1.179 20 0 GDADMN Cc1ccc([C@H](C)C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)o1 ZINC001571158944 952715952 /nfs/dbraw/zinc/71/59/52/952715952.db2.gz NVUMJQZOGCVBGP-AVGNSLFASA-N 0 1 380.412 1.151 20 0 GDADMN O=C(Cc1ccoc1)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571160239 952723930 /nfs/dbraw/zinc/72/39/30/952723930.db2.gz FPUYOTMYELYCIK-KGLIPLIRSA-N 0 1 380.412 1.062 20 0 GDADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3CCc4cccnc43)CC2)o1 ZINC001571161060 952731132 /nfs/dbraw/zinc/73/11/32/952731132.db2.gz PRSFVKZZQFSQMN-UHFFFAOYSA-N 0 1 380.412 1.364 20 0 GDADMN C[C@H]1CC[C@@H](NC(=O)c2cnn(C)c2)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571165930 952756220 /nfs/dbraw/zinc/75/62/20/952756220.db2.gz JAUJIVKQTLNLRE-SUMWQHHRSA-N 0 1 380.456 1.383 20 0 GDADMN O=C(Cc1ccccc1)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571166835 952765522 /nfs/dbraw/zinc/76/55/22/952765522.db2.gz QICDITGWOHRAFH-QGZVFWFLSA-N 0 1 380.427 1.939 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571167119 952770269 /nfs/dbraw/zinc/77/02/69/952770269.db2.gz VZHZAEUGVDUACX-HNNXBMFYSA-N 0 1 380.456 1.648 20 0 GDADMN Cc1cnn(CC(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571169367 952772598 /nfs/dbraw/zinc/77/25/98/952772598.db2.gz AUARNSKAKLWWBI-KRWDZBQOSA-N 0 1 380.456 1.152 20 0 GDADMN Cc1n[nH]cc1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001571169473 952774009 /nfs/dbraw/zinc/77/40/09/952774009.db2.gz DOHYRDQMANDALG-OAHLLOKOSA-N 0 1 380.456 1.635 20 0 GDADMN CCn1cccc1C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571169581 952776037 /nfs/dbraw/zinc/77/60/37/952776037.db2.gz HBJXWCZQNGIGBV-IBGZPJMESA-N 0 1 380.456 1.469 20 0 GDADMN CCn1ncc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1C ZINC001571169747 952778093 /nfs/dbraw/zinc/77/80/93/952778093.db2.gz LSKMNJNJVCXSFQ-UHFFFAOYSA-N 0 1 380.456 1.253 20 0 GDADMN CCn1cccc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001571169928 952780717 /nfs/dbraw/zinc/78/07/17/952780717.db2.gz QXHRVVABOACJTK-UKRRQHHQSA-N 0 1 380.456 1.529 20 0 GDADMN Cc1c[nH]nc1C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)[C@@H]1C ZINC001571169932 952780989 /nfs/dbraw/zinc/78/09/89/952780989.db2.gz QZSWHHRSJCXRLB-CZUORRHYSA-N 0 1 380.456 1.681 20 0 GDADMN C[C@H]1CN(C(=O)c2ccccc2F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571178198 952836323 /nfs/dbraw/zinc/83/63/23/952836323.db2.gz AYGHWVHBIJDADY-QWHCGFSZSA-N 0 1 381.415 1.643 20 0 GDADMN Cc1cc(N2CC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571178891 952849550 /nfs/dbraw/zinc/84/95/50/952849550.db2.gz XCACBXBYNBPCSN-ZDUSSCGKSA-N 0 1 381.415 1.966 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)no1 ZINC001571179351 952852103 /nfs/dbraw/zinc/85/21/03/952852103.db2.gz BQVSZGZTWNEZQB-CZUORRHYSA-N 0 1 381.440 1.946 20 0 GDADMN Cc1occc1C(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571179518 952853396 /nfs/dbraw/zinc/85/33/96/952853396.db2.gz FJTSZLVFPBAVNH-SMDDNHRTSA-N 0 1 381.440 1.714 20 0 GDADMN Cc1cc(NC[C@H]2CN(C(=O)Cc3ccco3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179883 952855749 /nfs/dbraw/zinc/85/57/49/952855749.db2.gz JIYNSOCAYOPLDC-OCCSQVGLSA-N 0 1 381.440 1.334 20 0 GDADMN Cc1nocc1C(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571180623 952861874 /nfs/dbraw/zinc/86/18/74/952861874.db2.gz RAJYGBODNNAKMT-WFASDCNBSA-N 0 1 381.440 1.946 20 0 GDADMN CCc1ocnc1C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182795 952868866 /nfs/dbraw/zinc/86/88/66/952868866.db2.gz GBGONRLWPCOGAF-HNNXBMFYSA-N 0 1 381.440 1.812 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ccc(F)cn1 ZINC001571183161 952873783 /nfs/dbraw/zinc/87/37/83/952873783.db2.gz QPWUJHVTPLJAAG-MRXNPFEDSA-N 0 1 381.415 1.795 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571183757 952882359 /nfs/dbraw/zinc/88/23/59/952882359.db2.gz IWBJPKSXOKPHJU-QWHCGFSZSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571183926 952885664 /nfs/dbraw/zinc/88/56/64/952885664.db2.gz MWBNGBONCRQZRJ-OLZOCXBDSA-N 0 1 381.444 1.124 20 0 GDADMN CCc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[nH]n4)nc3)[C@H](C)C2)n[nH]1 ZINC001571184322 952892453 /nfs/dbraw/zinc/89/24/53/952892453.db2.gz WDZDUIVJYWGYAE-RISCZKNCSA-N 0 1 381.444 1.510 20 0 GDADMN Cc1nc(N[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@H](C)C2)ccc1-c1nn[nH]n1 ZINC001571188765 952919264 /nfs/dbraw/zinc/91/92/64/952919264.db2.gz IKMNXXUFOAVAIP-DGCLKSJQSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1cnn(C)c1C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571188895 952921613 /nfs/dbraw/zinc/92/16/13/952921613.db2.gz PBTLBNWWKFBRHC-UHFFFAOYSA-N 0 1 381.444 1.093 20 0 GDADMN C[C@@H](C(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001571194516 952964701 /nfs/dbraw/zinc/96/47/01/952964701.db2.gz OHUOMFKTAUBRFR-OIBJUYFYSA-N 0 1 382.306 1.254 20 0 GDADMN Cc1ccc(F)c(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571195482 952976743 /nfs/dbraw/zinc/97/67/43/952976743.db2.gz AKVFZQAVVLFIBQ-LBPRGKRZSA-N 0 1 382.403 1.503 20 0 GDADMN CCN(C(=O)c1c(C)coc1C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571199444 952998873 /nfs/dbraw/zinc/99/88/73/952998873.db2.gz RHEGCPUYKAFBLN-CYBMUJFWSA-N 0 1 382.428 1.608 20 0 GDADMN CCc1nc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c(C)o1 ZINC001571199281 952999683 /nfs/dbraw/zinc/99/96/83/952999683.db2.gz OZHBXIZSWYUTGP-GFCCVEGCSA-N 0 1 382.428 1.438 20 0 GDADMN CCc1ncoc1C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571199619 953001484 /nfs/dbraw/zinc/00/14/84/953001484.db2.gz WQXQJNKGSQCICP-LBPRGKRZSA-N 0 1 382.428 1.341 20 0 GDADMN O=C(N[C@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccc(F)cn1 ZINC001571200325 953008320 /nfs/dbraw/zinc/00/83/20/953008320.db2.gz HTKXXNWFQPIWPQ-YPMHNXCESA-N 0 1 382.403 1.228 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)[C@H](C)C2)no1 ZINC001571201353 953017863 /nfs/dbraw/zinc/01/78/63/953017863.db2.gz KOOYVRXFUYBVFX-DGCLKSJQSA-N 0 1 382.428 1.190 20 0 GDADMN Cc1ncoc1C(=O)N[C@H]1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202665 953028222 /nfs/dbraw/zinc/02/82/22/953028222.db2.gz XCFFUGJBTQGOAJ-OLZOCXBDSA-N 0 1 382.428 1.299 20 0 GDADMN O=C(NC[C@H]1CC[C@H](CNc2ncccc2-c2nn[nH]n2)CC1)c1cnn[nH]1 ZINC001571209877 953069099 /nfs/dbraw/zinc/06/90/99/953069099.db2.gz HLVGPGDGSFXGAR-HAQNSBGRSA-N 0 1 382.432 1.028 20 0 GDADMN O=C(NC[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1)[C@H]1CC12CC2 ZINC001571209984 953069340 /nfs/dbraw/zinc/06/93/40/953069340.db2.gz KSBZPGBUBRBUIS-IAGOWNOFSA-N 0 1 382.468 1.374 20 0 GDADMN CN(CC1CCN(C(=O)[C@@H]2CC23CCC3)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571213272 953094491 /nfs/dbraw/zinc/09/44/91/953094491.db2.gz QQTRXEDDEMAYLJ-AWEZNQCLSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@H](NC(=O)c1cccn1C)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571229864 953172905 /nfs/dbraw/zinc/17/29/05/953172905.db2.gz PTJIHEMQHRBQCK-GFCCVEGCSA-N 0 1 383.431 1.595 20 0 GDADMN CN(C(=O)C1=CCOCC1)C1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571231568 953185351 /nfs/dbraw/zinc/18/53/51/953185351.db2.gz ZUYQAVCKBARZDV-UHFFFAOYSA-N 0 1 383.456 1.212 20 0 GDADMN CCn1ccc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2(C)C)n1 ZINC001571233130 953190524 /nfs/dbraw/zinc/19/05/24/953190524.db2.gz PJAFCYZGBYSAHT-OAHLLOKOSA-N 0 1 383.460 1.052 20 0 GDADMN CC(C)n1ccc(CNC2CC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571233410 953192059 /nfs/dbraw/zinc/19/20/59/953192059.db2.gz UTXZPFFQGWSROC-UHFFFAOYSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cccnc1 ZINC001571233992 953197759 /nfs/dbraw/zinc/19/77/59/953197759.db2.gz JWOXFTVQKWPKTL-JSGCOSHPSA-N 0 1 383.481 1.817 20 0 GDADMN C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cccnc1 ZINC001571233992 953197766 /nfs/dbraw/zinc/19/77/66/953197766.db2.gz JWOXFTVQKWPKTL-JSGCOSHPSA-N 0 1 383.481 1.817 20 0 GDADMN Cc1ncccc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571234217 953199497 /nfs/dbraw/zinc/19/94/97/953199497.db2.gz QADZBXNUDCHZOY-CQSZACIVSA-N 0 1 383.481 1.565 20 0 GDADMN Cc1ncccc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571234217 953199500 /nfs/dbraw/zinc/19/95/00/953199500.db2.gz QADZBXNUDCHZOY-CQSZACIVSA-N 0 1 383.481 1.565 20 0 GDADMN O=C(Cc1ccn[nH]1)N1CCCC[C@H]1CNc1cccc(F)c1-c1nn[nH]n1 ZINC001571242136 953254052 /nfs/dbraw/zinc/25/40/52/953254052.db2.gz VJQUXGOYXHWSSM-ZDUSSCGKSA-N 0 1 384.419 1.765 20 0 GDADMN CCc1noc(C)c1CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571242487 953257282 /nfs/dbraw/zinc/25/72/82/953257282.db2.gz HRSLSFRQKYVMPV-CMPLNLGQSA-N 0 1 384.444 1.446 20 0 GDADMN Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)ncn1 ZINC001571244745 953266589 /nfs/dbraw/zinc/26/65/89/953266589.db2.gz HIVWPVOWVAQZHE-TXEJJXNPSA-N 0 1 384.469 1.325 20 0 GDADMN Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)ncn1 ZINC001571244745 953266594 /nfs/dbraw/zinc/26/65/94/953266594.db2.gz HIVWPVOWVAQZHE-TXEJJXNPSA-N 0 1 384.469 1.325 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)Cc3cscn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244784 953267346 /nfs/dbraw/zinc/26/73/46/953267346.db2.gz IMXWIWINIVUGOC-LBPRGKRZSA-N 0 1 384.469 1.354 20 0 GDADMN Cc1cc(C)c(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)s1 ZINC001571245307 953272057 /nfs/dbraw/zinc/27/20/57/953272057.db2.gz RNIDALSWSZDKTQ-UHFFFAOYSA-N 0 1 384.469 1.474 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2nccs2)C1 ZINC001571245398 953272862 /nfs/dbraw/zinc/27/28/62/953272862.db2.gz HNUZACABRCYOEQ-NEPJUHHUSA-N 0 1 384.469 1.493 20 0 GDADMN Cc1cc(N[C@H]2CCCN(C(=O)Cc3cncs3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245807 953276758 /nfs/dbraw/zinc/27/67/58/953276758.db2.gz ZFJGAIQUQJJNIH-LBPRGKRZSA-N 0 1 384.469 1.094 20 0 GDADMN Cc1nc(CC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)s1 ZINC001571245801 953276817 /nfs/dbraw/zinc/27/68/17/953276817.db2.gz ZBUSQYRGFJOBQI-GFCCVEGCSA-N 0 1 384.469 1.012 20 0 GDADMN Cc1cc(NCC[C@@H]2CCN(C(=O)c3cncs3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245828 953277561 /nfs/dbraw/zinc/27/75/61/953277561.db2.gz ZRCNPKOGKOVCNX-GFCCVEGCSA-N 0 1 384.469 1.413 20 0 GDADMN CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245942 953278263 /nfs/dbraw/zinc/27/82/63/953278263.db2.gz PBNORMUTRZQITL-HJUANSTKSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001571246253 953281878 /nfs/dbraw/zinc/28/18/78/953281878.db2.gz WXUZIVGWFRCNOD-DQADVMEASA-N 0 1 384.459 1.988 20 0 GDADMN Cc1nc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](C)C2)oc1C ZINC001571247549 953283259 /nfs/dbraw/zinc/28/32/59/953283259.db2.gz ALUUYSYCMBMJAI-YGRLFVJLSA-N 0 1 384.444 1.583 20 0 GDADMN Cc1cnc(CNC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@@H]2C)o1 ZINC001571247579 953283547 /nfs/dbraw/zinc/28/35/47/953283547.db2.gz ARCPZZDAIXCWTG-FZMZJTMJSA-N 0 1 384.444 1.379 20 0 GDADMN Cc1nc(CCC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cs1 ZINC001571247884 953287173 /nfs/dbraw/zinc/28/71/73/953287173.db2.gz HFSLHPLCDUGCQZ-GFCCVEGCSA-N 0 1 384.469 1.094 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC2(C1)CCN(Cc1cncs1)CC2 ZINC001571247994 953288486 /nfs/dbraw/zinc/28/84/86/953288486.db2.gz KOSUCMGOGKAIHM-UHFFFAOYSA-N 0 1 384.469 1.390 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001571249041 953300586 /nfs/dbraw/zinc/30/05/86/953300586.db2.gz BQNKAMXOADIKNO-KGLIPLIRSA-N 0 1 384.488 1.555 20 0 GDADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571249279 953303663 /nfs/dbraw/zinc/30/36/63/953303663.db2.gz HIRNEUAUGKERNC-WMLDXEAASA-N 0 1 384.488 1.221 20 0 GDADMN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571249279 953303668 /nfs/dbraw/zinc/30/36/68/953303668.db2.gz HIRNEUAUGKERNC-WMLDXEAASA-N 0 1 384.488 1.221 20 0 GDADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001571249695 953306533 /nfs/dbraw/zinc/30/65/33/953306533.db2.gz KKOAPELIFCZAFE-ZIAGYGMSSA-N 0 1 384.488 1.395 20 0 GDADMN 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0 1 380.399 1.816 20 0 GDADMN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820092276 606536350 /nfs/dbraw/zinc/53/63/50/606536350.db2.gz KHNHMDWDBZCRSG-PBHICJAKSA-N 0 1 388.472 1.107 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000822005359 606587354 /nfs/dbraw/zinc/58/73/54/606587354.db2.gz QLTMWVQKZODYGJ-UONOGXRCSA-N 0 1 387.488 1.506 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000822005350 606587488 /nfs/dbraw/zinc/58/74/88/606587488.db2.gz QLTMWVQKZODYGJ-KBPBESRZSA-N 0 1 387.488 1.506 20 0 GDADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O ZINC000820995528 606600138 /nfs/dbraw/zinc/60/01/38/606600138.db2.gz TVNUXSLZXITGJC-MNOVXSKESA-N 0 1 389.485 1.388 20 0 GDADMN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820995528 606600139 /nfs/dbraw/zinc/60/01/39/606600139.db2.gz TVNUXSLZXITGJC-MNOVXSKESA-N 0 1 389.485 1.388 20 0 GDADMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820995528 606600140 /nfs/dbraw/zinc/60/01/40/606600140.db2.gz TVNUXSLZXITGJC-MNOVXSKESA-N 0 1 389.485 1.388 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000822009731 606627215 /nfs/dbraw/zinc/62/72/15/606627215.db2.gz DAIJZRKXRFSJTR-UHFFFAOYSA-N 0 1 394.395 1.714 20 0 GDADMN O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000823453970 606675015 /nfs/dbraw/zinc/67/50/15/606675015.db2.gz HDZJBKAJUDDVDH-CYBMUJFWSA-N 0 1 392.410 1.472 20 0 GDADMN CN1CCO[C@@H]2CN(c3c(-c4nn[nH]n4)cnc4c(F)ccc(Cl)c43)C[C@@H]21 ZINC000821628701 606726210 /nfs/dbraw/zinc/72/62/10/606726210.db2.gz OJZUOYHQNWTIQT-QWHCGFSZSA-N 0 1 389.822 1.727 20 0 GDADMN c1coc(-c2nc(-c3nn[n-]n3)c(N3CC[NH+](C[C@@H]4CCCOC4)CC3)o2)c1 ZINC000823815972 606763764 /nfs/dbraw/zinc/76/37/64/606763764.db2.gz MSPAUANKIPAHAD-ZDUSSCGKSA-N 0 1 385.428 1.663 20 0 GDADMN Cc1cnn(CCCCC[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822403221 606784395 /nfs/dbraw/zinc/78/43/95/606784395.db2.gz MAWKBINZRPXQGO-INIZCTEOSA-N 0 1 396.503 1.543 20 0 GDADMN Cc1cnn(CCCCC[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822403221 606784396 /nfs/dbraw/zinc/78/43/96/606784396.db2.gz MAWKBINZRPXQGO-INIZCTEOSA-N 0 1 396.503 1.543 20 0 GDADMN Cc1cnn(CCCCC[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822403221 606784397 /nfs/dbraw/zinc/78/43/97/606784397.db2.gz MAWKBINZRPXQGO-INIZCTEOSA-N 0 1 396.503 1.543 20 0 GDADMN Cc1cnn(CCCCC[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822403221 606784398 /nfs/dbraw/zinc/78/43/98/606784398.db2.gz MAWKBINZRPXQGO-INIZCTEOSA-N 0 1 396.503 1.543 20 0 GDADMN CC[C@H]1CC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)O1 ZINC000820971980 606785655 /nfs/dbraw/zinc/78/56/55/606785655.db2.gz IZJIAHUDRPTSLY-STQMWFEESA-N 0 1 387.444 1.338 20 0 GDADMN O=C(c1ccccc1)N1CCCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823492980 606851127 /nfs/dbraw/zinc/85/11/27/606851127.db2.gz BYHUXYWJOAINNC-LJQANCHMSA-N 0 1 392.463 1.748 20 0 GDADMN CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C12CCC2 ZINC000821362256 606892376 /nfs/dbraw/zinc/89/23/76/606892376.db2.gz YWVLAOUUSPAULR-QWHCGFSZSA-N 0 1 399.423 1.771 20 0 GDADMN Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822519437 606893158 /nfs/dbraw/zinc/89/31/58/606893158.db2.gz GYYHAGKCVKZQKS-SSDOTTSWSA-N 0 1 384.368 1.789 20 0 GDADMN CCO[C@@H](CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(C)C ZINC000821352232 606893632 /nfs/dbraw/zinc/89/36/32/606893632.db2.gz ZTCKLWITHGEGRK-ZDUSSCGKSA-N 0 1 389.428 1.874 20 0 GDADMN CC(C)[N@H+]1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000820752590 606893713 /nfs/dbraw/zinc/89/37/13/606893713.db2.gz OQPRDBSWMSAXTF-NOZJJQNGSA-N 0 1 386.428 1.152 20 0 GDADMN COc1ccc(OC)c(CN(CCO)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821841662 606897998 /nfs/dbraw/zinc/89/79/98/606897998.db2.gz LDHHJJOKLDOYLV-GOSISDBHSA-N 0 1 399.451 1.412 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](Oc3ccccn3)C2)cc1-c1nn[nH]n1 ZINC000821971065 606967938 /nfs/dbraw/zinc/96/79/38/606967938.db2.gz WZIOOQHPVOMSKX-SNVBAGLBSA-N 0 1 399.436 1.378 20 0 GDADMN Cc1nnc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Br)ccc32)o1 ZINC000822509865 607039916 /nfs/dbraw/zinc/03/99/16/607039916.db2.gz FMWOWEAGPSCGAE-UHFFFAOYSA-N 0 1 388.185 1.684 20 0 GDADMN Cc1ccnc(N2CCN(CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822374388 607108690 /nfs/dbraw/zinc/10/86/90/607108690.db2.gz UIUOGZMIXRJWGK-UHFFFAOYSA-N 0 1 392.467 1.721 20 0 GDADMN COc1cccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)c1 ZINC000821877911 607209512 /nfs/dbraw/zinc/20/95/12/607209512.db2.gz ZAMIPZBYRFQVTO-UHFFFAOYSA-N 0 1 392.379 1.898 20 0 GDADMN CC1CC[NH+]([C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc2)CC1 ZINC000820722687 607209661 /nfs/dbraw/zinc/20/96/61/607209661.db2.gz LVICCLCUOCLJAT-INIZCTEOSA-N 0 1 395.471 1.048 20 0 GDADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000823131762 607211630 /nfs/dbraw/zinc/21/16/30/607211630.db2.gz NKBLNJGQHNZXNK-UHFFFAOYSA-N 0 1 395.471 1.151 20 0 GDADMN CC(C)CCOc1ccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000820076711 607212244 /nfs/dbraw/zinc/21/22/44/607212244.db2.gz RYSZDBNZGHNWLN-CYBMUJFWSA-N 0 1 384.444 1.761 20 0 GDADMN COCc1c(Br)cccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821695040 607212772 /nfs/dbraw/zinc/21/27/72/607212772.db2.gz GEHMAHWEJFNPRU-UHFFFAOYSA-N 0 1 393.205 1.006 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000823135949 607213964 /nfs/dbraw/zinc/21/39/64/607213964.db2.gz BMCZEIOQJDEKKP-CQSZACIVSA-N 0 1 390.411 1.219 20 0 GDADMN CC(C)COc1ccc(C(C)(C)CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000820102922 607215050 /nfs/dbraw/zinc/21/50/50/607215050.db2.gz LUEHEBVYTZMZFO-UHFFFAOYSA-N 0 1 398.471 1.587 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000823136053 607220587 /nfs/dbraw/zinc/22/05/87/607220587.db2.gz HTMZFZYRWGFDCY-UHFFFAOYSA-N 0 1 397.786 1.938 20 0 GDADMN CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819987802 607220608 /nfs/dbraw/zinc/22/06/08/607220608.db2.gz MKKSNEWMOBKOQI-UHFFFAOYSA-N 0 1 395.254 1.903 20 0 GDADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(OC(F)(F)F)c1 ZINC000820333643 607221867 /nfs/dbraw/zinc/22/18/67/607221867.db2.gz FLUQIKMRBLYFNL-QMMMGPOBSA-N 0 1 382.306 1.234 20 0 GDADMN O=C(C[C@H]1CCCCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000822941542 607222100 /nfs/dbraw/zinc/22/21/00/607222100.db2.gz YUXXXDQADMPTBQ-OAHLLOKOSA-N 0 1 394.439 1.502 20 0 GDADMN C[C@@H]1CN(CCCNC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)C[C@@H](C)O1 ZINC000820758989 607231863 /nfs/dbraw/zinc/23/18/63/607231863.db2.gz GMIOBDQHZPMAHY-GHMZBOCLSA-N 0 1 379.852 1.144 20 0 GDADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(Cn2ccnn2)CC1 ZINC000824046809 607801437 /nfs/dbraw/zinc/80/14/37/607801437.db2.gz VQJWYLVEIJBTBX-CYBMUJFWSA-N 0 1 381.444 1.197 20 0 GDADMN Cc1ccc([C@H](O)CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826284222 607815301 /nfs/dbraw/zinc/81/53/01/607815301.db2.gz NKZOKSFNIUKQID-QGZVFWFLSA-N 0 1 387.465 1.272 20 0 GDADMN CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824199080 607818201 /nfs/dbraw/zinc/81/82/01/607818201.db2.gz HBMXZUWYONGEOT-ZDUSSCGKSA-N 0 1 389.428 1.466 20 0 GDADMN Cc1ccc([C@@H](OC[C@@H](O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccc2)cc1 ZINC000826284545 607869079 /nfs/dbraw/zinc/86/90/79/607869079.db2.gz XAKGSKHJWXKUQT-ROUUACIJSA-N 0 1 391.435 1.934 20 0 GDADMN Cc1ccc([C@H](OC[C@@H](O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccc2)cc1 ZINC000826284546 607869091 /nfs/dbraw/zinc/86/90/91/607869091.db2.gz XAKGSKHJWXKUQT-ZWKOTPCHSA-N 0 1 391.435 1.934 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccccc2F)c1-c1nnn[n-]1 ZINC000826073505 608019299 /nfs/dbraw/zinc/01/92/99/608019299.db2.gz VFKSKQVUEIZLPJ-SNVBAGLBSA-N 0 1 388.407 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccccc2F)c1-c1nn[n-]n1 ZINC000826073505 608019300 /nfs/dbraw/zinc/01/93/00/608019300.db2.gz VFKSKQVUEIZLPJ-SNVBAGLBSA-N 0 1 388.407 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826077666 608020564 /nfs/dbraw/zinc/02/05/64/608020564.db2.gz PUXBATBMLCEYRN-UHFFFAOYSA-N 0 1 389.851 1.446 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826077666 608020565 /nfs/dbraw/zinc/02/05/65/608020565.db2.gz PUXBATBMLCEYRN-UHFFFAOYSA-N 0 1 389.851 1.446 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1-c1nnn[n-]1 ZINC000826073206 608021022 /nfs/dbraw/zinc/02/10/22/608021022.db2.gz JLZHNNNLMIXTAH-LBPRGKRZSA-N 0 1 384.444 1.456 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1-c1nn[n-]n1 ZINC000826073206 608021023 /nfs/dbraw/zinc/02/10/23/608021023.db2.gz JLZHNNNLMIXTAH-LBPRGKRZSA-N 0 1 384.444 1.456 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)c(Cl)n2C)c1-c1nnn[n-]1 ZINC000826077383 608021231 /nfs/dbraw/zinc/02/12/31/608021231.db2.gz GOKASFQBWUKQCF-UHFFFAOYSA-N 0 1 398.258 1.639 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)c(Cl)n2C)c1-c1nn[n-]n1 ZINC000826077383 608021232 /nfs/dbraw/zinc/02/12/32/608021232.db2.gz GOKASFQBWUKQCF-UHFFFAOYSA-N 0 1 398.258 1.639 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC000826077737 608021541 /nfs/dbraw/zinc/02/15/41/608021541.db2.gz SMYLFXCNQMSOAU-LBPRGKRZSA-N 0 1 396.455 1.637 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000826077737 608021542 /nfs/dbraw/zinc/02/15/42/608021542.db2.gz SMYLFXCNQMSOAU-LBPRGKRZSA-N 0 1 396.455 1.637 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000826077195 608021908 /nfs/dbraw/zinc/02/19/08/608021908.db2.gz DDPDTSJZOFCUAR-UHFFFAOYSA-N 0 1 398.471 1.710 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000826077195 608021909 /nfs/dbraw/zinc/02/19/09/608021909.db2.gz DDPDTSJZOFCUAR-UHFFFAOYSA-N 0 1 398.471 1.710 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1-c1nnn[n-]1 ZINC000826077612 608022145 /nfs/dbraw/zinc/02/21/45/608022145.db2.gz OJAYLNSNHIXUFM-WDEREUQCSA-N 0 1 386.485 1.854 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1-c1nn[n-]n1 ZINC000826077612 608022146 /nfs/dbraw/zinc/02/21/46/608022146.db2.gz OJAYLNSNHIXUFM-WDEREUQCSA-N 0 1 386.485 1.854 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000826256096 608097847 /nfs/dbraw/zinc/09/78/47/608097847.db2.gz UYBGLTBYIZDYTL-JTQLQIEISA-N 0 1 376.446 1.456 20 0 GDADMN CC1CCN(CC(=O)NCc2nc(-c3cccc(-c4nn[nH]n4)c3)c[nH]2)CC1 ZINC000824956987 608108801 /nfs/dbraw/zinc/10/88/01/608108801.db2.gz VIWXYFDYRJOKJP-UHFFFAOYSA-N 0 1 380.456 1.605 20 0 GDADMN O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429971 608135076 /nfs/dbraw/zinc/13/50/76/608135076.db2.gz QUEYCMIFEVXXDD-KZNAEPCWSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429971 608135077 /nfs/dbraw/zinc/13/50/77/608135077.db2.gz QUEYCMIFEVXXDD-KZNAEPCWSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429971 608135078 /nfs/dbraw/zinc/13/50/78/608135078.db2.gz QUEYCMIFEVXXDD-KZNAEPCWSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429971 608135079 /nfs/dbraw/zinc/13/50/79/608135079.db2.gz QUEYCMIFEVXXDD-KZNAEPCWSA-N 0 1 389.463 1.902 20 0 GDADMN CCN(CC(C)(C)O)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000825399013 608157576 /nfs/dbraw/zinc/15/75/76/608157576.db2.gz FFDINWVONCSQKH-SNVBAGLBSA-N 0 1 378.502 1.837 20 0 GDADMN CCN(CCc1ccccn1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825428939 608162781 /nfs/dbraw/zinc/16/27/81/608162781.db2.gz VXLLYXIKKWCSNI-GOSISDBHSA-N 0 1 377.452 1.932 20 0 GDADMN Cc1oc(NC(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c(-c2nn[nH]n2)c1C ZINC000826341328 608169428 /nfs/dbraw/zinc/16/94/28/608169428.db2.gz DDSJGHDMWUCBHK-OLZOCXBDSA-N 0 1 387.444 1.006 20 0 GDADMN C[C@H]1CC(=O)CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824857158 608218352 /nfs/dbraw/zinc/21/83/52/608218352.db2.gz BSLJHZLUHMAWRH-KBXCAEBGSA-N 0 1 384.484 1.762 20 0 GDADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)CC1CCC1 ZINC000825865573 608244744 /nfs/dbraw/zinc/24/47/44/608244744.db2.gz GHGBBQQOQHPHHO-UHFFFAOYSA-N 0 1 378.502 1.360 20 0 GDADMN O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000826413189 608250549 /nfs/dbraw/zinc/25/05/49/608250549.db2.gz VMJAYAUXFRFDFJ-CQSZACIVSA-N 0 1 393.455 1.680 20 0 GDADMN O=Cc1[nH]nc2cc(C(=O)OCC(=O)c3cccc(-c4nn[nH]n4)c3)ccc12 ZINC000826483940 608255282 /nfs/dbraw/zinc/25/52/82/608255282.db2.gz GTOGPPLDUCXHTM-UHFFFAOYSA-N 0 1 376.332 1.595 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1-c1nnn[n-]1 ZINC000826332492 608313252 /nfs/dbraw/zinc/31/32/52/608313252.db2.gz WAUPTUBDYBROIM-OAHLLOKOSA-N 0 1 395.467 1.946 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1-c1nnn[n-]1 ZINC000826332492 608313253 /nfs/dbraw/zinc/31/32/53/608313253.db2.gz WAUPTUBDYBROIM-OAHLLOKOSA-N 0 1 395.467 1.946 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1-c1nn[n-]n1 ZINC000826332492 608313255 /nfs/dbraw/zinc/31/32/55/608313255.db2.gz WAUPTUBDYBROIM-OAHLLOKOSA-N 0 1 395.467 1.946 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1-c1nn[n-]n1 ZINC000826332492 608313257 /nfs/dbraw/zinc/31/32/57/608313257.db2.gz WAUPTUBDYBROIM-OAHLLOKOSA-N 0 1 395.467 1.946 20 0 GDADMN C[C@H]1C[C@@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CN1C1CC1 ZINC000824892873 608337183 /nfs/dbraw/zinc/33/71/83/608337183.db2.gz NODUTZGUUCLHMB-GXFFZTMASA-N 0 1 380.449 1.050 20 0 GDADMN C[NH+](C)CC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825860587 608342287 /nfs/dbraw/zinc/34/22/87/608342287.db2.gz SGZNSWFTQSNOBH-UHFFFAOYSA-N 0 1 384.893 1.482 20 0 GDADMN C[NH+](C)CC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825860587 608342288 /nfs/dbraw/zinc/34/22/88/608342288.db2.gz SGZNSWFTQSNOBH-UHFFFAOYSA-N 0 1 384.893 1.482 20 0 GDADMN CCC[C@H]1CN(CC(=O)Nc2sccc2-c2nn[nH]n2)CCN1CCOC ZINC000825255211 608378109 /nfs/dbraw/zinc/37/81/09/608378109.db2.gz WKDHGAQHCKHWJK-ZDUSSCGKSA-N 0 1 393.517 1.299 20 0 GDADMN CCOC(=O)C[C@@H](O)CN1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825506383 608383607 /nfs/dbraw/zinc/38/36/07/608383607.db2.gz JHJVNSJEUYRDPG-CQSZACIVSA-N 0 1 375.429 1.024 20 0 GDADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)OCc1cccc(-c2nn[nH]n2)c1F ZINC000826328304 608446550 /nfs/dbraw/zinc/44/65/50/608446550.db2.gz MWUNFIUGOBAKON-UHFFFAOYSA-N 0 1 397.370 1.657 20 0 GDADMN CNC(=O)[C@@H](NC(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826053171 608468255 /nfs/dbraw/zinc/46/82/55/608468255.db2.gz UTKDTQQNORUMFF-UGSOOPFHSA-N 0 1 393.451 1.121 20 0 GDADMN COc1cccc(S(=O)(=O)CCNC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826217314 608529384 /nfs/dbraw/zinc/52/93/84/608529384.db2.gz HOBIFZCHSVUULZ-UHFFFAOYSA-N 0 1 399.476 1.928 20 0 GDADMN c1coc(-c2nc(-c3nn[nH]n3)c(N3CCN(Cc4cncs4)CC3)o2)c1 ZINC000826526424 608549585 /nfs/dbraw/zinc/54/95/85/608549585.db2.gz YLRSNMLWFRUDAA-UHFFFAOYSA-N 0 1 384.425 1.893 20 0 GDADMN COc1cccc(C2(NCC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826215352 608550928 /nfs/dbraw/zinc/55/09/28/608550928.db2.gz MOVOKLUCVMFATI-UHFFFAOYSA-N 0 1 378.436 1.770 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(=O)[nH]c(C(C)C)c2)c1-c1nnn[n-]1 ZINC000826077831 608568964 /nfs/dbraw/zinc/56/89/64/608568964.db2.gz XEVZTOYYSPDAMH-UHFFFAOYSA-N 0 1 385.432 1.218 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(=O)[nH]c(C(C)C)c2)c1-c1nn[n-]n1 ZINC000826077831 608568966 /nfs/dbraw/zinc/56/89/66/608568966.db2.gz XEVZTOYYSPDAMH-UHFFFAOYSA-N 0 1 385.432 1.218 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000826232876 609170571 /nfs/dbraw/zinc/17/05/71/609170571.db2.gz LVIQTYASFAFAQZ-UHFFFAOYSA-N 0 1 387.488 1.365 20 0 GDADMN Brc1cc2c(cc1Cn1cnc(-c3nn[nH]n3)n1)OCCCO2 ZINC000823826453 609173251 /nfs/dbraw/zinc/17/32/51/609173251.db2.gz JNVYMFQZFFUJDJ-UHFFFAOYSA-N 0 1 378.190 1.430 20 0 GDADMN CN(C)[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000825848249 609207238 /nfs/dbraw/zinc/20/72/38/609207238.db2.gz AUZVHVNMDGTPFT-IRXDYDNUSA-N 0 1 384.415 1.458 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000826186673 609311504 /nfs/dbraw/zinc/31/15/04/609311504.db2.gz GRAMNTZFSOMABM-UHFFFAOYSA-N 0 1 375.366 1.405 20 0 GDADMN CCc1cc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)n[nH]1 ZINC000825700549 609361751 /nfs/dbraw/zinc/36/17/51/609361751.db2.gz JZPJIPLKTXNMFQ-UHFFFAOYSA-N 0 1 396.390 1.799 20 0 GDADMN c1ccc(N2CCN(CCNc3nc4ccccn4c3-c3nn[nH]n3)CC2)cc1 ZINC000826521971 609460682 /nfs/dbraw/zinc/46/06/82/609460682.db2.gz GFCNEXZEDQHFKV-UHFFFAOYSA-N 0 1 389.467 1.749 20 0 GDADMN CC(C)c1nc([C@@H]2CCCCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)no1 ZINC000824358437 609504344 /nfs/dbraw/zinc/50/43/44/609504344.db2.gz JZDLTBNYVZDMCT-NSHDSACASA-N 0 1 386.420 1.109 20 0 GDADMN O=C1[C@@H](NCc2cnc3cnccn23)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477147 609600844 /nfs/dbraw/zinc/60/08/44/609600844.db2.gz WNLWPPKSCIPWGB-INIZCTEOSA-N 0 1 389.423 1.195 20 0 GDADMN O=C(CCN1CCSC[C@H]1CO)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000826407126 609603291 /nfs/dbraw/zinc/60/32/91/609603291.db2.gz BXTZBYCXNOJNPH-SNVBAGLBSA-N 0 1 394.526 1.155 20 0 GDADMN Cc1nc(C)c(S(=O)(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000532769807 650032249 /nfs/dbraw/zinc/03/22/49/650032249.db2.gz ZYTBLCUEEJYHRP-QGZVFWFLSA-N 0 1 381.523 1.675 20 0 GDADMN COCCCN(C(=O)NC1CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000536978523 650285509 /nfs/dbraw/zinc/28/55/09/650285509.db2.gz QKOXEACUBFGXEZ-INIZCTEOSA-N 0 1 375.535 1.094 20 0 GDADMN CN(C)[C@H](CNC(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1ccsc1 ZINC000537368938 650290618 /nfs/dbraw/zinc/29/06/18/650290618.db2.gz POBVMKNXWJQWHY-QWHCGFSZSA-N 0 1 383.436 1.668 20 0 GDADMN C[C@@H](N[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc([S@@](C)=O)cc1 ZINC000539369864 650333120 /nfs/dbraw/zinc/33/31/20/650333120.db2.gz QGSHWTBYPDRFRH-ZGVOWGSJSA-N 0 1 386.539 1.109 20 0 GDADMN O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1cccc(Br)c1O ZINC000539873608 650341908 /nfs/dbraw/zinc/34/19/08/650341908.db2.gz NZKSQYIZFPOPGU-GLEZIHRCSA-N 0 1 382.214 1.263 20 0 GDADMN C[C@H]1[C@H](C)N(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CCN1C ZINC000540012222 650346394 /nfs/dbraw/zinc/34/63/94/650346394.db2.gz KACAWQLLYZAKJO-QWRGUYRKSA-N 0 1 379.935 1.573 20 0 GDADMN O=c1n2ccccc2nn1CCN[C@@H](CO)c1cccc(Br)c1 ZINC000541056008 650377101 /nfs/dbraw/zinc/37/71/01/650377101.db2.gz WDZQORBXCCFWFA-AWEZNQCLSA-N 0 1 377.242 1.582 20 0 GDADMN CN(Cc1cnn(C)c1)C(=O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000543839217 650430545 /nfs/dbraw/zinc/43/05/45/650430545.db2.gz QUCBCOVTZULYMT-OAHLLOKOSA-N 0 1 381.274 1.464 20 0 GDADMN O=C(NC1CC1)N[C@@H]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000545506049 650459130 /nfs/dbraw/zinc/45/91/30/650459130.db2.gz GAZGIHKNWLZSEA-HUUCEWRRSA-N 0 1 398.301 1.725 20 0 GDADMN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000545827461 650462321 /nfs/dbraw/zinc/46/23/21/650462321.db2.gz JRLZKJQKMTZPJQ-QFIPXVFZSA-N 0 1 388.492 1.013 20 0 GDADMN O=S1(=O)CC[C@@H](NC[C@]2(O)CCOC2)c2cc(Br)ccc21 ZINC000547826318 650517085 /nfs/dbraw/zinc/51/70/85/650517085.db2.gz FCEGTARCILSVTK-TZMCWYRMSA-N 0 1 376.272 1.409 20 0 GDADMN Cn1ccnc1[C@H]1C[C@H](NS(=O)(=O)c2occc2Br)CCO1 ZINC000916178239 660188313 /nfs/dbraw/zinc/18/83/13/660188313.db2.gz YYEZKJBGGWALLF-MWLCHTKSSA-N 0 1 390.259 1.974 20 0 GDADMN CN(C)[C@]1(CNS(=O)(=O)c2cnc(-c3ccccc3)nc2)CCSC1 ZINC000548043477 650529137 /nfs/dbraw/zinc/52/91/37/650529137.db2.gz RAVUGMDFAVHUBY-KRWDZBQOSA-N 0 1 378.523 1.859 20 0 GDADMN COCCCCS(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000550825184 650597230 /nfs/dbraw/zinc/59/72/30/650597230.db2.gz SJBLRRBOMCMFES-KRWDZBQOSA-N 0 1 378.579 1.936 20 0 GDADMN CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551015462 650599725 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ZINC001571263889 945469945 /nfs/dbraw/zinc/46/99/45/945469945.db2.gz ZETNVOOKULRZQL-KGLIPLIRSA-N 0 1 385.472 1.292 20 0 GDADMN CO[C@@H]1CCC[C@@H](CC(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571263950 945472354 /nfs/dbraw/zinc/47/23/54/945472354.db2.gz COJSBGAOASHJAU-APIJFGDWSA-N 0 1 385.472 1.338 20 0 GDADMN CCO[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571264409 945483938 /nfs/dbraw/zinc/48/39/38/945483938.db2.gz OATRJYPOUPSBDD-CZUORRHYSA-N 0 1 385.472 1.149 20 0 GDADMN CCOC1CC(C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571264477 945484085 /nfs/dbraw/zinc/48/40/85/945484085.db2.gz PIVYYXWQRSUREX-FGZQJIAISA-N 0 1 385.472 1.196 20 0 GDADMN CO[C@@H](C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C1CCCCC1 ZINC001571264777 945491802 /nfs/dbraw/zinc/49/18/02/945491802.db2.gz WMDAKBQXFRFFCX-RHSMWYFYSA-N 0 1 385.472 1.292 20 0 GDADMN Cc1cc(N(C)C[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264817 945492899 /nfs/dbraw/zinc/49/28/99/945492899.db2.gz XVMGXXTZOKGNSW-RHSMWYFYSA-N 0 1 385.472 1.424 20 0 GDADMN O=C(NC[C@H]1CCN1CCc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571265608 945515487 /nfs/dbraw/zinc/51/54/87/945515487.db2.gz MMWBUYGLSZSMQM-CQSZACIVSA-N 0 1 385.859 1.895 20 0 GDADMN Cc1cc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@@H](C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266414 945542383 /nfs/dbraw/zinc/54/23/83/945542383.db2.gz QGDCVOLNUPOKCU-XQLPTFJDSA-N 0 1 385.472 1.114 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC001571270700 945641243 /nfs/dbraw/zinc/64/12/43/945641243.db2.gz ZDQBSNGZACJRLM-MRVPVSSYSA-N 0 1 386.441 1.247 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)CCn1cccn1 ZINC001571271657 945646386 /nfs/dbraw/zinc/64/63/86/945646386.db2.gz GTWNGTOTNLLELY-QWHCGFSZSA-N 0 1 386.485 1.294 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)CCn1cccn1 ZINC001571271657 945646393 /nfs/dbraw/zinc/64/63/93/945646393.db2.gz GTWNGTOTNLLELY-QWHCGFSZSA-N 0 1 386.485 1.294 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1cccn1 ZINC001571271660 945647795 /nfs/dbraw/zinc/64/77/95/945647795.db2.gz GUKUJYNTGKKWGT-JSGCOSHPSA-N 0 1 386.485 1.294 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1cccn1 ZINC001571271660 945647799 /nfs/dbraw/zinc/64/77/99/945647799.db2.gz GUKUJYNTGKKWGT-JSGCOSHPSA-N 0 1 386.485 1.294 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272068 945654331 /nfs/dbraw/zinc/65/43/31/945654331.db2.gz OFRAXJKVXPRPHN-LBPRGKRZSA-N 0 1 386.485 1.222 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272068 945654336 /nfs/dbraw/zinc/65/43/36/945654336.db2.gz OFRAXJKVXPRPHN-LBPRGKRZSA-N 0 1 386.485 1.222 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272068 945654342 /nfs/dbraw/zinc/65/43/42/945654342.db2.gz OFRAXJKVXPRPHN-LBPRGKRZSA-N 0 1 386.485 1.222 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272068 945654347 /nfs/dbraw/zinc/65/43/47/945654347.db2.gz OFRAXJKVXPRPHN-LBPRGKRZSA-N 0 1 386.485 1.222 20 0 GDADMN Cc1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@@H]2C)c1 ZINC001571272039 945654518 /nfs/dbraw/zinc/65/45/18/945654518.db2.gz NKMHCTIAFKCMRM-JSGCOSHPSA-N 0 1 386.485 1.212 20 0 GDADMN Cc1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@@H]2C)c1 ZINC001571272039 945654527 /nfs/dbraw/zinc/65/45/27/945654527.db2.gz NKMHCTIAFKCMRM-JSGCOSHPSA-N 0 1 386.485 1.212 20 0 GDADMN CCn1nccc1C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272343 945660456 /nfs/dbraw/zinc/66/04/56/945660456.db2.gz SEGXPCSMQSCJHG-NSHDSACASA-N 0 1 386.485 1.395 20 0 GDADMN CCOC(=O)[C@@H]1[C@@H]2CCN(CCOc3ccc(-c4nn[nH]n4)cc3OC)C[C@@H]21 ZINC001571279540 945782551 /nfs/dbraw/zinc/78/25/51/945782551.db2.gz RNIPYDKAWCUGDW-JKIFEVAISA-N 0 1 387.440 1.385 20 0 GDADMN CCc1ncoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281973 945824041 /nfs/dbraw/zinc/82/40/41/945824041.db2.gz QIXMCFWSCHMXQQ-XYPYZODXSA-N 0 1 387.469 1.777 20 0 GDADMN CCc1ncoc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281973 945824049 /nfs/dbraw/zinc/82/40/49/945824049.db2.gz QIXMCFWSCHMXQQ-XYPYZODXSA-N 0 1 387.469 1.777 20 0 GDADMN Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)on1 ZINC001571281994 945824179 /nfs/dbraw/zinc/82/41/79/945824179.db2.gz QVAIEJSXXWPWRZ-JQWIXIFHSA-N 0 1 387.469 1.723 20 0 GDADMN Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)on1 ZINC001571281994 945824188 /nfs/dbraw/zinc/82/41/88/945824188.db2.gz QVAIEJSXXWPWRZ-JQWIXIFHSA-N 0 1 387.469 1.723 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@H](C)C2)on1 ZINC001571281996 945825144 /nfs/dbraw/zinc/82/51/44/945825144.db2.gz QVAIEJSXXWPWRZ-ZYHUDNBSSA-N 0 1 387.469 1.723 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@H](C)C2)on1 ZINC001571281996 945825155 /nfs/dbraw/zinc/82/51/55/945825155.db2.gz QVAIEJSXXWPWRZ-ZYHUDNBSSA-N 0 1 387.469 1.723 20 0 GDADMN CC(=O)N1CCOC2(CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001573451040 945831072 /nfs/dbraw/zinc/83/10/72/945831072.db2.gz PTOQOLCXHAAHMU-UHFFFAOYSA-N 0 1 376.486 1.578 20 0 GDADMN CC(=O)N1CCOC2(CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)C1 ZINC001573451040 945831086 /nfs/dbraw/zinc/83/10/86/945831086.db2.gz PTOQOLCXHAAHMU-UHFFFAOYSA-N 0 1 376.486 1.578 20 0 GDADMN CC[C@@H](C(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[NH+](C)C ZINC001571283397 945884711 /nfs/dbraw/zinc/88/47/11/945884711.db2.gz FCWXCJKSYMSQNC-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@@H](C(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571283397 945884721 /nfs/dbraw/zinc/88/47/21/945884721.db2.gz FCWXCJKSYMSQNC-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)N(C)CCO3)cc1-c1nn[nH]n1 ZINC000821976641 945911541 /nfs/dbraw/zinc/91/15/41/945911541.db2.gz CFFPOXXLQGNKOB-UHFFFAOYSA-N 0 1 399.436 1.770 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)[C@H]1CC[C@H](F)C1 ZINC001571286189 945939238 /nfs/dbraw/zinc/93/92/38/945939238.db2.gz AILDLDMKWVRQMV-XMSFWSCYSA-N 0 1 388.422 1.690 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)[C@@H]1CC[C@@H](F)C1 ZINC001571286188 945939817 /nfs/dbraw/zinc/93/98/17/945939817.db2.gz AILDLDMKWVRQMV-QVDCYYDOSA-N 0 1 388.422 1.690 20 0 GDADMN CN(C(=O)C[C@@H]1CCCO1)[C@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571288359 945986740 /nfs/dbraw/zinc/98/67/40/945986740.db2.gz OQWDJJZWJWGUPZ-GJZGRUSLSA-N 0 1 388.447 1.608 20 0 GDADMN O=C(CC[C@@H]1CCOC1)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288927 945995326 /nfs/dbraw/zinc/99/53/26/945995326.db2.gz UNSBPRAZIYRCOU-CZUORRHYSA-N 0 1 388.447 1.513 20 0 GDADMN O=C(CC[C@H]1CCOC1)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571288928 945996338 /nfs/dbraw/zinc/99/63/38/945996338.db2.gz UNSBPRAZIYRCOU-XJKSGUPXSA-N 0 1 388.447 1.513 20 0 GDADMN Cc1nonc1C(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289423 946007821 /nfs/dbraw/zinc/00/78/21/946007821.db2.gz CRZLKNVKVDWVTF-ONGXEEELSA-N 0 1 388.457 1.118 20 0 GDADMN Cc1nonc1C(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289423 946007823 /nfs/dbraw/zinc/00/78/23/946007823.db2.gz CRZLKNVKVDWVTF-ONGXEEELSA-N 0 1 388.457 1.118 20 0 GDADMN Cc1nonc1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289519 946008789 /nfs/dbraw/zinc/00/87/89/946008789.db2.gz GPDKAYREWMXSDB-WDEREUQCSA-N 0 1 388.457 1.450 20 0 GDADMN Cc1nonc1C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289519 946008797 /nfs/dbraw/zinc/00/87/97/946008797.db2.gz GPDKAYREWMXSDB-WDEREUQCSA-N 0 1 388.457 1.450 20 0 GDADMN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290099 946028117 /nfs/dbraw/zinc/02/81/17/946028117.db2.gz VFVAARSIZIMFPC-QWRGUYRKSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571290099 946028123 /nfs/dbraw/zinc/02/81/23/946028123.db2.gz VFVAARSIZIMFPC-QWRGUYRKSA-N 0 1 388.457 1.342 20 0 GDADMN O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2)[C@@H]1CCOC1 ZINC001571290180 946031868 /nfs/dbraw/zinc/03/18/68/946031868.db2.gz WZYMUVLNGGEBKO-DOMZBBRYSA-N 0 1 388.497 1.435 20 0 GDADMN O=C(N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2)[C@@H]1CCOC1 ZINC001571290180 946031881 /nfs/dbraw/zinc/03/18/81/946031881.db2.gz WZYMUVLNGGEBKO-DOMZBBRYSA-N 0 1 388.497 1.435 20 0 GDADMN O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1occc1Cl ZINC001571290374 946043219 /nfs/dbraw/zinc/04/32/19/946043219.db2.gz CJNZMDVOUMREDE-ZJUUUORDSA-N 0 1 388.819 1.478 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001571290792 946057613 /nfs/dbraw/zinc/05/76/13/946057613.db2.gz PEWXCZZMZSVBKG-UHFFFAOYSA-N 0 1 388.697 1.649 20 0 GDADMN O=C([C@H]1CCC(F)(F)C1)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571292055 946089068 /nfs/dbraw/zinc/08/90/68/946089068.db2.gz UBXBLWKHKYNIQF-RWMBFGLXSA-N 0 1 389.410 1.592 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@H](Cc3cnn(C)c3)C2)c(-c2nn[nH]n2)c1C ZINC000822541012 946119204 /nfs/dbraw/zinc/11/92/04/946119204.db2.gz KODMUTAITSSAHJ-GXTWGEPZSA-N 0 1 398.471 1.702 20 0 GDADMN Cc1nscc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294330 946132870 /nfs/dbraw/zinc/13/28/70/946132870.db2.gz FTJRAYSAKJAGRG-XYPYZODXSA-N 0 1 389.510 1.991 20 0 GDADMN Cc1nscc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571294330 946132878 /nfs/dbraw/zinc/13/28/78/946132878.db2.gz FTJRAYSAKJAGRG-XYPYZODXSA-N 0 1 389.510 1.991 20 0 GDADMN CC[C@H](SC)C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571294918 946147758 /nfs/dbraw/zinc/14/77/58/946147758.db2.gz MOGKRUGNYXUMJP-BBRMVZONSA-N 0 1 389.529 1.996 20 0 GDADMN CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298850 946229570 /nfs/dbraw/zinc/22/95/70/946229570.db2.gz FHKLSRCYZYFUOJ-QWHCGFSZSA-N 0 1 390.517 1.153 20 0 GDADMN CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298850 946229577 /nfs/dbraw/zinc/22/95/77/946229577.db2.gz FHKLSRCYZYFUOJ-QWHCGFSZSA-N 0 1 390.517 1.153 20 0 GDADMN O=C(NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1)C1CC2(CC2)C1 ZINC001571298962 946234898 /nfs/dbraw/zinc/23/48/98/946234898.db2.gz SGZXFTVZHNWIDA-UHFFFAOYSA-N 0 1 390.451 1.497 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)COC1CCCC1 ZINC001571299869 946264239 /nfs/dbraw/zinc/26/42/39/946264239.db2.gz PZBCABSCENYPIW-CHWSQXEVSA-N 0 1 390.513 1.966 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)COC1CCCC1 ZINC001571299869 946264248 /nfs/dbraw/zinc/26/42/48/946264248.db2.gz PZBCABSCENYPIW-CHWSQXEVSA-N 0 1 390.513 1.966 20 0 GDADMN O=C(CC[C@@H]1CCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299912 946267099 /nfs/dbraw/zinc/26/70/99/946267099.db2.gz QVJYJGMUGJAODH-KGLIPLIRSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(CC[C@@H]1CCCO1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299912 946267106 /nfs/dbraw/zinc/26/71/06/946267106.db2.gz QVJYJGMUGJAODH-KGLIPLIRSA-N 0 1 390.513 1.968 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571300099 946271004 /nfs/dbraw/zinc/27/10/04/946271004.db2.gz UUCOMDPUFHHJNO-YUELXQCFSA-N 0 1 390.513 1.824 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571300099 946271016 /nfs/dbraw/zinc/27/10/16/946271016.db2.gz UUCOMDPUFHHJNO-YUELXQCFSA-N 0 1 390.513 1.824 20 0 GDADMN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCCN3C)C2)c1-c1nn[nH]n1 ZINC001571300208 946273978 /nfs/dbraw/zinc/27/39/78/946273978.db2.gz WXCGSJKFZKPHCZ-RTXFEEFZSA-N 0 1 390.517 1.057 20 0 GDADMN Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC001571300325 946281570 /nfs/dbraw/zinc/28/15/70/946281570.db2.gz ZSSRBLCOIBJJBP-FVCCEPFGSA-N 0 1 390.517 1.279 20 0 GDADMN Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC001571300325 946281577 /nfs/dbraw/zinc/28/15/77/946281577.db2.gz ZSSRBLCOIBJJBP-FVCCEPFGSA-N 0 1 390.517 1.279 20 0 GDADMN O=C(c1ncc(F)cc1F)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571301941 946287450 /nfs/dbraw/zinc/28/74/50/946287450.db2.gz INZNUAJUSRAVGZ-JTQLQIEISA-N 0 1 391.407 1.606 20 0 GDADMN O=C(c1ncc(F)cc1F)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571301941 946287460 /nfs/dbraw/zinc/28/74/60/946287460.db2.gz INZNUAJUSRAVGZ-JTQLQIEISA-N 0 1 391.407 1.606 20 0 GDADMN C[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571302053 946289510 /nfs/dbraw/zinc/28/95/10/946289510.db2.gz MSUHWTGYHOACFA-WXHSDQCUSA-N 0 1 391.426 1.884 20 0 GDADMN CCOc1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571304127 946358558 /nfs/dbraw/zinc/35/85/58/946358558.db2.gz YLVPQNPMQKOWNX-VQFNDLOPSA-N 0 1 391.435 1.525 20 0 GDADMN CN(c1nc(-c2nn[nH]n2)c(Cl)s1)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001571305593 946370739 /nfs/dbraw/zinc/37/07/39/946370739.db2.gz GWLBXXWPVKBKMU-MRVPVSSYSA-N 0 1 391.848 1.118 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571307579 946425086 /nfs/dbraw/zinc/42/50/86/946425086.db2.gz FNOFJTIGHDRQNV-MNOVXSKESA-N 0 1 392.414 1.020 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571308092 946428361 /nfs/dbraw/zinc/42/83/61/946428361.db2.gz MFSMXYDVBSKRBP-WDEREUQCSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571308092 946428370 /nfs/dbraw/zinc/42/83/70/946428370.db2.gz MFSMXYDVBSKRBP-WDEREUQCSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC001571308062 946429467 /nfs/dbraw/zinc/42/94/67/946429467.db2.gz LAHFZAQIHJYYEM-SSDOTTSWSA-N 0 1 392.217 1.602 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571309131 946439491 /nfs/dbraw/zinc/43/94/91/946439491.db2.gz WYTGIVISJZMBKR-WOPDTQHZSA-N 0 1 392.414 1.566 20 0 GDADMN O[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1cc(Cl)c2c(c1)OCCO2 ZINC000823689146 946467883 /nfs/dbraw/zinc/46/78/83/946467883.db2.gz BOGPQBPDXWBDIM-GFCCVEGCSA-N 0 1 377.788 1.708 20 0 GDADMN CCc1cccc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571313741 946529795 /nfs/dbraw/zinc/52/97/95/946529795.db2.gz VFLRQHHQZXEPAT-HNNXBMFYSA-N 0 1 392.467 1.666 20 0 GDADMN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc(C)c2-c2nn[nH]n2)cc1 ZINC000823967315 946530738 /nfs/dbraw/zinc/53/07/38/946530738.db2.gz LEPXWJZJMNCZCI-UHFFFAOYSA-N 0 1 386.437 1.959 20 0 GDADMN Cc1cc(C)nc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571314755 946544868 /nfs/dbraw/zinc/54/48/68/946544868.db2.gz CEJGLYLBTRPOGV-HNNXBMFYSA-N 0 1 392.467 1.933 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)Cc3cccnc3C)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316167 946569237 /nfs/dbraw/zinc/56/92/37/946569237.db2.gz VJJMATJGJHPEHW-KZULUSFZSA-N 0 1 392.467 1.197 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571316497 946579659 /nfs/dbraw/zinc/57/96/59/946579659.db2.gz DPIXMSVGKNLRCR-HOCLYGCPSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cnc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cc1C ZINC001571316696 946584102 /nfs/dbraw/zinc/58/41/02/946584102.db2.gz KBAWLAYFQMWEHJ-ZBFHGGJFSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cnc(C(=O)N[C@@H]2CC[C@@H](C)N(Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571316783 946586840 /nfs/dbraw/zinc/58/68/40/946586840.db2.gz MQEBRMLIJRERKP-RHSMWYFYSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cnccc1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571317083 946598438 /nfs/dbraw/zinc/59/84/38/946598438.db2.gz VBLFAPDYOGBZPH-HOCLYGCPSA-N 0 1 392.467 1.421 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317434 946608902 /nfs/dbraw/zinc/60/89/02/946608902.db2.gz HNXFUXMZZLNZCR-NEPJUHHUSA-N 0 1 392.485 1.160 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)CC1OCCCO1 ZINC001571317434 946608910 /nfs/dbraw/zinc/60/89/10/946608910.db2.gz HNXFUXMZZLNZCR-NEPJUHHUSA-N 0 1 392.485 1.160 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1)n1cccc1 ZINC001571317908 946623821 /nfs/dbraw/zinc/62/38/21/946623821.db2.gz XXUOKPJKNIPCPW-JTQLQIEISA-N 0 1 392.876 1.688 20 0 GDADMN CC(=O)Nc1ccccc1CNS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001573548985 946861875 /nfs/dbraw/zinc/86/18/75/946861875.db2.gz ZSWHWZAFYJBZFU-UHFFFAOYSA-N 0 1 378.439 1.365 20 0 GDADMN C=C/C(C)=C/CC(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573316041 947266963 /nfs/dbraw/zinc/26/69/63/947266963.db2.gz FOCBGTLFCGFGKN-WQPBDQAGSA-N 0 1 383.456 1.154 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586192 947279279 /nfs/dbraw/zinc/27/92/79/947279279.db2.gz LNJSHKBRGMZPHT-NEPJUHHUSA-N 0 1 384.419 1.280 20 0 GDADMN CN(C[C@@H]1CC=CCC1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000825909154 947368428 /nfs/dbraw/zinc/36/84/28/947368428.db2.gz SGGCBFLDRYGFEO-VLIAUNLRSA-N 0 1 395.467 1.879 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573599304 947455652 /nfs/dbraw/zinc/45/56/52/947455652.db2.gz XGUDBWTXZLGXFG-RKDXNWHRSA-N 0 1 392.407 1.036 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573599304 947455655 /nfs/dbraw/zinc/45/56/55/947455655.db2.gz XGUDBWTXZLGXFG-RKDXNWHRSA-N 0 1 392.407 1.036 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573599457 947458273 /nfs/dbraw/zinc/45/82/73/947458273.db2.gz YGDMJFDASVKICI-OCCSQVGLSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573599457 947458281 /nfs/dbraw/zinc/45/82/81/947458281.db2.gz YGDMJFDASVKICI-OCCSQVGLSA-N 0 1 392.529 1.663 20 0 GDADMN COCCn1cc(CNCc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826163922 947514378 /nfs/dbraw/zinc/51/43/78/947514378.db2.gz QYFMMVWEPFAMRK-UHFFFAOYSA-N 0 1 393.455 1.400 20 0 GDADMN CC(C(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)=C1CCC1 ZINC001573607534 947549964 /nfs/dbraw/zinc/54/99/64/947549964.db2.gz OKNMQMJDHKYWQQ-BLLLJJGKSA-N 0 1 381.484 1.999 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573613441 947562371 /nfs/dbraw/zinc/56/23/71/947562371.db2.gz AHNHBUSGPCLNBS-OIISXLGYSA-N 0 1 392.467 1.500 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573350680 947601810 /nfs/dbraw/zinc/60/18/10/947601810.db2.gz DBKLZFXVQYGIEY-OAHLLOKOSA-N 0 1 390.451 1.686 20 0 GDADMN C[C@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573615919 947613258 /nfs/dbraw/zinc/61/32/58/947613258.db2.gz GPNHOKKXZXCNIV-LLVKDONJSA-N 0 1 379.415 1.625 20 0 GDADMN C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573616076 947617957 /nfs/dbraw/zinc/61/79/57/947617957.db2.gz LLJVELORUANQGS-JTQLQIEISA-N 0 1 380.403 1.020 20 0 GDADMN C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)cc1 ZINC001573358235 947659098 /nfs/dbraw/zinc/65/90/98/947659098.db2.gz CWDDNQQWZSBUMM-DOMZBBRYSA-N 0 1 376.424 1.697 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573369859 947778964 /nfs/dbraw/zinc/77/89/64/947778964.db2.gz YMHFRBWJSUBDGX-DGCLKSJQSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001573369859 947778974 /nfs/dbraw/zinc/77/89/74/947778974.db2.gz YMHFRBWJSUBDGX-DGCLKSJQSA-N 0 1 376.486 1.767 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573629816 947784638 /nfs/dbraw/zinc/78/46/38/947784638.db2.gz VWTOXZUFGDBFQT-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001573376677 947840451 /nfs/dbraw/zinc/84/04/51/947840451.db2.gz BHCCXPDXZSXLIX-OKILXGFUSA-N 0 1 388.497 1.578 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001573376677 947840457 /nfs/dbraw/zinc/84/04/57/947840457.db2.gz BHCCXPDXZSXLIX-OKILXGFUSA-N 0 1 388.497 1.578 20 0 GDADMN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000826293020 947851814 /nfs/dbraw/zinc/85/18/14/947851814.db2.gz XHVIYLLFNCMYGU-UHFFFAOYSA-N 0 1 393.450 1.379 20 0 GDADMN C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573654217 947963529 /nfs/dbraw/zinc/96/35/29/947963529.db2.gz PPRZNYIRVUGLAL-BUXKBTBVSA-N 0 1 384.488 1.602 20 0 GDADMN Cc1onc(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1-c1nnn[n-]1 ZINC000826346426 948040273 /nfs/dbraw/zinc/04/02/73/948040273.db2.gz LYYHEBMMKSACPR-UHFFFAOYSA-N 0 1 387.488 1.867 20 0 GDADMN Cc1onc(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1-c1nn[n-]n1 ZINC000826346426 948040281 /nfs/dbraw/zinc/04/02/81/948040281.db2.gz LYYHEBMMKSACPR-UHFFFAOYSA-N 0 1 387.488 1.867 20 0 GDADMN C[C@@H](C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CC1 ZINC001573663743 948041314 /nfs/dbraw/zinc/04/13/14/948041314.db2.gz PGPLUCRJLXYGIU-JLTOFOAXSA-N 0 1 384.484 1.356 20 0 GDADMN C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573677485 948138398 /nfs/dbraw/zinc/13/83/98/948138398.db2.gz AZKLRAAVALXITM-PWSUYJOCSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CCCC1 ZINC001573677803 948141796 /nfs/dbraw/zinc/14/17/96/948141796.db2.gz FHKUOSKBJIEAIL-JSGCOSHPSA-N 0 1 384.488 1.814 20 0 GDADMN CC(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)(c2ccccc2)CC1 ZINC001573434419 948211947 /nfs/dbraw/zinc/21/19/47/948211947.db2.gz RCNGRJQCWZHUSB-UHFFFAOYSA-N 0 1 377.452 1.676 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC001573691822 948247575 /nfs/dbraw/zinc/24/75/75/948247575.db2.gz KBKPOGXYTUKKFV-LRDDRELGSA-N 0 1 390.463 1.399 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)[C@H]1CCCO1 ZINC001573692649 948269070 /nfs/dbraw/zinc/26/90/70/948269070.db2.gz RMVIVPYGIYPUCM-XJKSGUPXSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)[C@@H]1CCCO1 ZINC001573692645 948269404 /nfs/dbraw/zinc/26/94/04/948269404.db2.gz RMVIVPYGIYPUCM-BBRMVZONSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C(C)(F)F ZINC001573696378 948324219 /nfs/dbraw/zinc/32/42/19/948324219.db2.gz PBQNHWMPQOTOBY-WFFHOREQSA-N 0 1 377.399 1.351 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573704323 948370004 /nfs/dbraw/zinc/37/00/04/948370004.db2.gz APHXEZBACHLAOO-RYUDHWBXSA-N 0 1 384.469 1.464 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(F)F ZINC001573718750 948519831 /nfs/dbraw/zinc/51/98/31/948519831.db2.gz KDKXSIYGIRGNOF-LURJTMIESA-N 0 1 379.824 1.820 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573727324 948553940 /nfs/dbraw/zinc/55/39/40/948553940.db2.gz MDAVOHMDYYXIQO-FRRDWIJNSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)n1cccc1 ZINC001573728598 948560667 /nfs/dbraw/zinc/56/06/67/948560667.db2.gz QBWRJLCKVJJYQF-RBSFLKMASA-N 0 1 380.456 1.513 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001573742275 948661098 /nfs/dbraw/zinc/66/10/98/948661098.db2.gz JUTKSDCHRKXYRB-MNOVXSKESA-N 0 1 386.847 1.452 20 0 GDADMN C[C@H](C(=O)Nc1nc2ccccc2n1CC1CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573754716 948745905 /nfs/dbraw/zinc/74/59/05/948745905.db2.gz IYESWAUTPYNGMY-SNVBAGLBSA-N 0 1 378.400 1.418 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574416328 948747579 /nfs/dbraw/zinc/74/75/79/948747579.db2.gz QWNJXRKKKOUYSS-GFCCVEGCSA-N 0 1 381.444 1.430 20 0 GDADMN CC(F)(F)C1(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CC1 ZINC001575222805 948760373 /nfs/dbraw/zinc/76/03/73/948760373.db2.gz KQNNPTHEMOUEMW-UHFFFAOYSA-N 0 1 377.399 1.782 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574916727 948785805 /nfs/dbraw/zinc/78/58/05/948785805.db2.gz IIDRLCWWLFUUGR-GFCCVEGCSA-N 0 1 384.419 1.023 20 0 GDADMN C[C@@H](C(=O)Nc1cc2n[nH]cc2c(C(F)(F)F)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756168 948799893 /nfs/dbraw/zinc/79/98/93/948799893.db2.gz MTZYQKYWABEZNI-LURJTMIESA-N 0 1 392.305 1.553 20 0 GDADMN CC(C)c1cccc(CN(C)[C@@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574420557 948802461 /nfs/dbraw/zinc/80/24/61/948802461.db2.gz YLWOVFWZRBUNRX-ZDUSSCGKSA-N 0 1 382.472 1.964 20 0 GDADMN CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420865 948806778 /nfs/dbraw/zinc/80/67/78/948806778.db2.gz CFQWFHAQIHZOFD-DGCLKSJQSA-N 0 1 382.428 1.368 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756929 948824248 /nfs/dbraw/zinc/82/42/48/948824248.db2.gz VUSIQTSDRQAJGS-VIFPVBQESA-N 0 1 385.388 1.008 20 0 GDADMN CC(C)c1ccoc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574422264 948831310 /nfs/dbraw/zinc/83/13/10/948831310.db2.gz YDLUKLHBLSBYAH-UHFFFAOYSA-N 0 1 382.428 1.560 20 0 GDADMN CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575229189 948840454 /nfs/dbraw/zinc/84/04/54/948840454.db2.gz DLCQETHBCZEOEB-ZSBIGDGJSA-N 0 1 392.414 1.566 20 0 GDADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)C(F)(F)c1ccccc1-c1nn[nH]n1 ZINC001574424593 948859184 /nfs/dbraw/zinc/85/91/84/948859184.db2.gz RAZMUJIDLIWYFY-UHFFFAOYSA-N 0 1 390.354 1.543 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573764278 948885291 /nfs/dbraw/zinc/88/52/91/948885291.db2.gz LLHPYPJYFARGNE-KBPBESRZSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574684807 948887688 /nfs/dbraw/zinc/88/76/88/948887688.db2.gz MYTXRDLWLNRJEU-DTWKUNHWSA-N 0 1 385.881 1.710 20 0 GDADMN C[C@H](CNC(=O)CCc1ncccn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920362 948899934 /nfs/dbraw/zinc/89/99/34/948899934.db2.gz JKCBWDPQLSSMRZ-GFCCVEGCSA-N 0 1 384.419 1.023 20 0 GDADMN CC(C)c1ncc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)s1 ZINC001574427970 948917369 /nfs/dbraw/zinc/91/73/69/948917369.db2.gz WDFUNTCMDZVRPW-UHFFFAOYSA-N 0 1 384.469 1.638 20 0 GDADMN CC(F)(F)CCC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575239868 948967241 /nfs/dbraw/zinc/96/72/41/948967241.db2.gz WWDAVUVIBXAWMF-NSHDSACASA-N 0 1 380.403 1.567 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574689511 948985822 /nfs/dbraw/zinc/98/58/22/948985822.db2.gz HPCIVRLFXXPZDT-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574689511 948985829 /nfs/dbraw/zinc/98/58/29/948985829.db2.gz HPCIVRLFXXPZDT-CYBMUJFWSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001574092042 949039998 /nfs/dbraw/zinc/03/99/98/949039998.db2.gz QVFVQJFCAPGCRH-FZKQIMNGSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C1CCC1 ZINC001573779881 949078351 /nfs/dbraw/zinc/07/83/51/949078351.db2.gz OPNVAGBVGRUHOY-MKZZRHPPSA-N 0 1 381.484 1.886 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441862 949083567 /nfs/dbraw/zinc/08/35/67/949083567.db2.gz CXELBYLXFBPJGB-NSHDSACASA-N 0 1 383.416 1.024 20 0 GDADMN C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575249426 949099800 /nfs/dbraw/zinc/09/98/00/949099800.db2.gz BSMZFAHLPUPSRL-QWRGUYRKSA-N 0 1 392.414 1.423 20 0 GDADMN CC(C)c1ocnc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446096 949118473 /nfs/dbraw/zinc/11/84/73/949118473.db2.gz IJNLZZTZNLWSHF-LLVKDONJSA-N 0 1 383.416 1.119 20 0 GDADMN C[C@H](NC(=O)[C@H](C)n1cccn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251231 949132785 /nfs/dbraw/zinc/13/27/85/949132785.db2.gz MLIVKNOGZFXZQL-RYUDHWBXSA-N 0 1 386.485 1.322 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574447491 949162981 /nfs/dbraw/zinc/16/29/81/949162981.db2.gz PXEXMEBNQXVSOF-CQSZACIVSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)c1ocnc1C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574447632 949165423 /nfs/dbraw/zinc/16/54/23/949165423.db2.gz VKENUJNDXMVQMS-UHFFFAOYSA-N 0 1 382.428 1.772 20 0 GDADMN C[C@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575252799 949169509 /nfs/dbraw/zinc/16/95/09/949169509.db2.gz HMAQSGYRCZPHCO-QWHCGFSZSA-N 0 1 388.451 1.660 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](F)CC1CCCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698296 949184496 /nfs/dbraw/zinc/18/44/96/949184496.db2.gz IWMIEIXOGNVPQF-JSGCOSHPSA-N 0 1 390.467 1.646 20 0 GDADMN C[C@@H](CNC(=O)COc1ccsc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574935115 949197085 /nfs/dbraw/zinc/19/70/85/949197085.db2.gz ZIUOILIQJDKASE-NSHDSACASA-N 0 1 390.444 1.741 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935623 949205284 /nfs/dbraw/zinc/20/52/84/949205284.db2.gz DNOSOJHEZNCMTF-NSHDSACASA-N 0 1 386.847 1.494 20 0 GDADMN CC1(Nc2ncccc2-c2nn[nH]n2)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001575854045 949222299 /nfs/dbraw/zinc/22/22/99/949222299.db2.gz ZENAQQSOVXRLMG-UHFFFAOYSA-N 0 1 381.444 1.411 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574699433 949239275 /nfs/dbraw/zinc/23/92/75/949239275.db2.gz UWBWXFJNHPGVJL-NEPJUHHUSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574699433 949239305 /nfs/dbraw/zinc/23/93/05/949239305.db2.gz UWBWXFJNHPGVJL-NEPJUHHUSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574938425 949240347 /nfs/dbraw/zinc/24/03/47/949240347.db2.gz VSMLKJWJYMEISL-JTQLQIEISA-N 0 1 388.382 1.119 20 0 GDADMN CC1(c2ccccc2C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575856304 949244875 /nfs/dbraw/zinc/24/48/75/949244875.db2.gz DXNSHDJWMCMPKP-CYBMUJFWSA-N 0 1 390.451 1.457 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC001589605605 949257824 /nfs/dbraw/zinc/25/78/24/949257824.db2.gz SDWCZGZHCYGQOK-SZSCYUJKSA-N 0 1 394.472 1.095 20 0 GDADMN CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573792765 949265551 /nfs/dbraw/zinc/26/55/51/949265551.db2.gz VAADLSPIXOINHF-FQUUOJAGSA-N 0 1 382.472 1.376 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001573792708 949266068 /nfs/dbraw/zinc/26/60/68/949266068.db2.gz UBUWLENDAZIRKC-CYBMUJFWSA-N 0 1 382.428 1.719 20 0 GDADMN C[C@@H](NC(=O)C1=CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575257541 949273584 /nfs/dbraw/zinc/27/35/84/949273584.db2.gz AFTUQQYARONOMH-GFCCVEGCSA-N 0 1 386.431 1.289 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccnc1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574940920 949282032 /nfs/dbraw/zinc/28/20/32/949282032.db2.gz MNBPGPTXTCLPDE-ZDUSSCGKSA-N 0 1 383.431 1.580 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C)cn1 ZINC001574454779 949288562 /nfs/dbraw/zinc/28/85/62/949288562.db2.gz DHSCKPAPRFYHGB-ZIAGYGMSSA-N 0 1 395.471 1.541 20 0 GDADMN CC(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574109064 949313907 /nfs/dbraw/zinc/31/39/07/949313907.db2.gz VSFKMVJDDUEBJG-CQSZACIVSA-N 0 1 392.529 1.760 20 0 GDADMN CC(C)CC(=O)N1CCC[C@@H]([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574109064 949313926 /nfs/dbraw/zinc/31/39/26/949313926.db2.gz VSFKMVJDDUEBJG-CQSZACIVSA-N 0 1 392.529 1.760 20 0 GDADMN CC(C)n1ccc(CC(=O)NC[C@H](C)N(C)c2ccncc2-c2nn[nH]n2)n1 ZINC001574941856 949323654 /nfs/dbraw/zinc/32/36/54/949323654.db2.gz HODIYWWUDLNWGA-ZDUSSCGKSA-N 0 1 383.460 1.223 20 0 GDADMN C[C@H](CN(C)C(=O)C1(c2ccccc2)CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574703722 949346580 /nfs/dbraw/zinc/34/65/80/949346580.db2.gz XFWBLDXJSZKISP-CQSZACIVSA-N 0 1 392.467 1.459 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(F)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574942366 949349489 /nfs/dbraw/zinc/34/94/89/949349489.db2.gz ZFUKWIYZOKVHLV-LBPRGKRZSA-N 0 1 386.406 1.982 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001575262834 949384159 /nfs/dbraw/zinc/38/41/59/949384159.db2.gz CMCKMOYFHBEGED-OLZOCXBDSA-N 0 1 377.452 1.404 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574463834 949389328 /nfs/dbraw/zinc/38/93/28/949389328.db2.gz CALYWZFEXCUHLP-HDJSIYSDSA-N 0 1 380.456 1.687 20 0 GDADMN C[C@@H](NC(=O)[C@@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263355 949393263 /nfs/dbraw/zinc/39/32/63/949393263.db2.gz GHCCZYMGEWJDLU-VXGBXAGGSA-N 0 1 376.486 1.291 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574464221 949402386 /nfs/dbraw/zinc/40/23/86/949402386.db2.gz GFVWWIQGHXXBQH-MRXNPFEDSA-N 0 1 380.456 1.687 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576155593 949414473 /nfs/dbraw/zinc/41/44/73/949414473.db2.gz JJCVOSYCFSQUKE-UKRRQHHQSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705634 949434500 /nfs/dbraw/zinc/43/45/00/949434500.db2.gz JLEZUSPVHHUHHO-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705634 949434509 /nfs/dbraw/zinc/43/45/09/949434509.db2.gz JLEZUSPVHHUHHO-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNC(=O)Cn1cc(Cl)cn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574947493 949446942 /nfs/dbraw/zinc/44/69/42/949446942.db2.gz BOZJCOJOMBYWEC-JTQLQIEISA-N 0 1 392.826 1.150 20 0 GDADMN CC(C)(C)C(=O)NC[C@@H]1COCCN1c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573804023 949463092 /nfs/dbraw/zinc/46/30/92/949463092.db2.gz ZYRVUZVOQIPTFH-MRVPVSSYSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575868722 949463198 /nfs/dbraw/zinc/46/31/98/949463198.db2.gz OPHIOTAJSWWREK-GHMZBOCLSA-N 0 1 392.414 1.566 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574469855 949484508 /nfs/dbraw/zinc/48/45/08/949484508.db2.gz IRAPJVQFEBLESW-MRXNPFEDSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)c1cnn[nH]1 ZINC001576158086 949490419 /nfs/dbraw/zinc/49/04/19/949490419.db2.gz RXEDZVGYQUJJKB-DIFFPNOSSA-N 0 1 382.432 1.171 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccn[nH]1 ZINC001576158456 949495995 /nfs/dbraw/zinc/49/59/95/949495995.db2.gz SUJDAVLFPCQDGQ-XIKOKIGWSA-N 0 1 381.444 1.198 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCc2cccnc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574709407 949509565 /nfs/dbraw/zinc/50/95/65/949509565.db2.gz ZGTMSVTXHMJJLN-HIFRSBDPSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268951 949534191 /nfs/dbraw/zinc/53/41/91/949534191.db2.gz PZHUBZHDRAMKDI-NWDGAFQWSA-N 0 1 376.486 1.291 20 0 GDADMN CC1(C(=O)N2CCC[C@@](CO)(NCc3cc(-c4nn[nH]n4)ccc3F)C2)CC1 ZINC001575538919 949535924 /nfs/dbraw/zinc/53/59/24/949535924.db2.gz KZTQCJLFQGGEHH-LJQANCHMSA-N 0 1 388.447 1.249 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574711725 949553314 /nfs/dbraw/zinc/55/33/14/949553314.db2.gz KVFSXJOQXHCTNK-CYBMUJFWSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574711725 949553333 /nfs/dbraw/zinc/55/33/33/949553333.db2.gz KVFSXJOQXHCTNK-CYBMUJFWSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873164 949570143 /nfs/dbraw/zinc/57/01/43/949570143.db2.gz NYHHFZXWMUXKHZ-QWRGUYRKSA-N 0 1 380.403 1.566 20 0 GDADMN CC1(C(=O)N2CCC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575540840 949572138 /nfs/dbraw/zinc/57/21/38/949572138.db2.gz ZKSIYUWYUMNGSX-AWEZNQCLSA-N 0 1 385.472 1.151 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cocn1 ZINC001573810663 949576630 /nfs/dbraw/zinc/57/66/30/949576630.db2.gz BQRCAFVXDBRHKN-CYBMUJFWSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cocn1 ZINC001573810663 949576643 /nfs/dbraw/zinc/57/66/43/949576643.db2.gz BQRCAFVXDBRHKN-CYBMUJFWSA-N 0 1 375.458 1.851 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873363 949578355 /nfs/dbraw/zinc/57/83/55/949578355.db2.gz OLFYVUHQRZJTRG-TZMCWYRMSA-N 0 1 382.472 1.711 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccon1 ZINC001573811037 949584795 /nfs/dbraw/zinc/58/47/95/949584795.db2.gz HAWRCSBECCGXDV-CYBMUJFWSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccon1 ZINC001573811037 949584806 /nfs/dbraw/zinc/58/48/06/949584806.db2.gz HAWRCSBECCGXDV-CYBMUJFWSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1CCOCC1 ZINC001573811300 949595321 /nfs/dbraw/zinc/59/53/21/949595321.db2.gz JOQGEQKIUZBGHN-HNNXBMFYSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1CCOCC1 ZINC001573811300 949595337 /nfs/dbraw/zinc/59/53/37/949595337.db2.gz JOQGEQKIUZBGHN-HNNXBMFYSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574957001 949595270 /nfs/dbraw/zinc/59/52/70/949595270.db2.gz PKRSMKMFASDYRM-DJLDLDEBSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574957001 949595285 /nfs/dbraw/zinc/59/52/85/949595285.db2.gz PKRSMKMFASDYRM-DJLDLDEBSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574957001 949595298 /nfs/dbraw/zinc/59/52/98/949595298.db2.gz PKRSMKMFASDYRM-DJLDLDEBSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574957001 949595313 /nfs/dbraw/zinc/59/53/13/949595313.db2.gz PKRSMKMFASDYRM-DJLDLDEBSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576167539 949607384 /nfs/dbraw/zinc/60/73/84/949607384.db2.gz QDSUVLCXGKVRRP-ZBFHGGJFSA-N 0 1 392.467 1.416 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272398 949646409 /nfs/dbraw/zinc/64/64/09/949646409.db2.gz QDENUEUWSDGTOQ-ZIAGYGMSSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272398 949646423 /nfs/dbraw/zinc/64/64/23/949646423.db2.gz QDENUEUWSDGTOQ-ZIAGYGMSSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575273263 949659722 /nfs/dbraw/zinc/65/97/22/949659722.db2.gz VCRMHIRDLAWVIU-RKDXNWHRSA-N 0 1 386.913 1.624 20 0 GDADMN CC1(C(=O)N2CCO[C@@H](CNCc3ccc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001575548120 949659893 /nfs/dbraw/zinc/65/98/93/949659893.db2.gz QLPDVOKGHSTZJB-HNNXBMFYSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573817767 949708021 /nfs/dbraw/zinc/70/80/21/949708021.db2.gz AVNIAQZIZZNLDK-XJKSGUPXSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573818010 949714204 /nfs/dbraw/zinc/71/42/04/949714204.db2.gz DTDGAKJVNLKYRL-KXBFYZLASA-N 0 1 387.488 1.178 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1ccccc1 ZINC001573818124 949718366 /nfs/dbraw/zinc/71/83/66/949718366.db2.gz GSJAJRXULLFMOQ-CQSZACIVSA-N 0 1 380.456 1.264 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717727 949744526 /nfs/dbraw/zinc/74/45/26/949744526.db2.gz WULKISDYRWEJGR-ZIAGYGMSSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCCC2CC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171013 949749548 /nfs/dbraw/zinc/74/95/48/949749548.db2.gz OPPPYUHDNLKFQO-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001575559601 949758703 /nfs/dbraw/zinc/75/87/03/949758703.db2.gz WSNVVGCDBSWKBC-KSSFIOAISA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001575559601 949758728 /nfs/dbraw/zinc/75/87/28/949758728.db2.gz WSNVVGCDBSWKBC-KSSFIOAISA-N 0 1 392.529 1.975 20 0 GDADMN C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172102 949790494 /nfs/dbraw/zinc/79/04/94/949790494.db2.gz UYFIELCQPZNWJW-QWHCGFSZSA-N 0 1 376.440 1.257 20 0 GDADMN C[C@@]1(C(=O)NC2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575563177 949837344 /nfs/dbraw/zinc/83/73/44/949837344.db2.gz JNBHPSLXRVYATL-SVGDTCPJSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575283148 949858725 /nfs/dbraw/zinc/85/87/25/949858725.db2.gz NVDRFSVEWURHOS-GHMZBOCLSA-N 0 1 387.394 1.510 20 0 GDADMN C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575283315 949867073 /nfs/dbraw/zinc/86/70/73/949867073.db2.gz OGSIWIIVLZJMOF-ZFWWWQNUSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574484647 949893886 /nfs/dbraw/zinc/89/38/86/949893886.db2.gz LFHOKGUOOAPSEY-VHSXEESVSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575284269 949903288 /nfs/dbraw/zinc/90/32/88/949903288.db2.gz TVMWLBPYZJZWGC-UONOGXRCSA-N 0 1 387.488 1.798 20 0 GDADMN C[C@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575284532 949907321 /nfs/dbraw/zinc/90/73/21/949907321.db2.gz JFZGMCQQWFXRLG-HOCLYGCPSA-N 0 1 384.488 1.079 20 0 GDADMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC001595276896 949926077 /nfs/dbraw/zinc/92/60/77/949926077.db2.gz QSLZORBWJHFRDD-CYBMUJFWSA-N 0 1 380.351 1.911 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574488975 949960364 /nfs/dbraw/zinc/96/03/64/949960364.db2.gz HYODPUXBOZTCFD-UTLUCORTSA-N 0 1 382.350 1.035 20 0 GDADMN C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180586 949965737 /nfs/dbraw/zinc/96/57/37/949965737.db2.gz FKJFZHHBKXAPNW-GXTWGEPZSA-N 0 1 382.472 1.165 20 0 GDADMN C[C@@H](NC(=O)Cc1cccc(F)c1F)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575289614 950002032 /nfs/dbraw/zinc/00/20/32/950002032.db2.gz AKDIONQXRPGKDM-GHMZBOCLSA-N 0 1 387.394 1.510 20 0 GDADMN C[C@H](CC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001574491169 950023960 /nfs/dbraw/zinc/02/39/60/950023960.db2.gz AKPMXBVKGWRNCJ-CYBMUJFWSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H]1CCN(C(=O)CCCC2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182038 950033262 /nfs/dbraw/zinc/03/32/62/950033262.db2.gz KQCIYSWXUSWTFF-UKRRQHHQSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491579 950038397 /nfs/dbraw/zinc/03/83/97/950038397.db2.gz DSKZLWDWDOMLEO-HLIUYOAVSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccc[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574732008 950064863 /nfs/dbraw/zinc/06/48/63/950064863.db2.gz ZWTBVIVRQMSCHG-QMMMGPOBSA-N 0 1 380.865 1.806 20 0 GDADMN CCC[N@H+](CC(=O)[O-])[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000262403306 950120831 /nfs/dbraw/zinc/12/08/31/950120831.db2.gz VNRJZIOOBNZGAN-MRXNPFEDSA-N 0 1 377.485 1.320 20 0 GDADMN CCC[N@@H+](CC(=O)[O-])[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000262403306 950120845 /nfs/dbraw/zinc/12/08/45/950120845.db2.gz VNRJZIOOBNZGAN-MRXNPFEDSA-N 0 1 377.485 1.320 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N[C@@H]1CCc2c1c(F)ccc2F ZINC001574979151 950147743 /nfs/dbraw/zinc/14/77/43/950147743.db2.gz WUHZNFCGIPOJAC-YMTOWFKASA-N 0 1 387.394 1.868 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1CNCc1cnns1 ZINC001576185009 950149504 /nfs/dbraw/zinc/14/95/04/950149504.db2.gz YJLVBSZHSOPPKI-QMTHXVAHSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191012 950179013 /nfs/dbraw/zinc/17/90/13/950179013.db2.gz FVISFTJUZUAELH-ZFWWWQNUSA-N 0 1 378.440 1.289 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574498830 950284516 /nfs/dbraw/zinc/28/45/16/950284516.db2.gz PZORIFUEKSLHKP-XHDPSFHLSA-N 0 1 376.436 1.009 20 0 GDADMN CC1(C(=O)NCCN2CCC(Nc3ncc(-c4nn[nH]n4)cc3F)CC2)CC1 ZINC001575592648 950290133 /nfs/dbraw/zinc/29/01/33/950290133.db2.gz ISAGYHZRDTVUEB-UHFFFAOYSA-N 0 1 388.451 1.193 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905774 950302674 /nfs/dbraw/zinc/30/26/74/950302674.db2.gz FILYPUBKJWCROK-GXFFZTMASA-N 0 1 389.510 1.706 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cscn1 ZINC001575905774 950302695 /nfs/dbraw/zinc/30/26/95/950302695.db2.gz FILYPUBKJWCROK-GXFFZTMASA-N 0 1 389.510 1.706 20 0 GDADMN C[C@@H]1[C@H](NCc2cc(F)ccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575906023 950304622 /nfs/dbraw/zinc/30/46/22/950304622.db2.gz FZHMHCQEWMSWKD-MEBBXXQBSA-N 0 1 387.394 1.866 20 0 GDADMN CC1(C(=O)NCC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575593991 950327322 /nfs/dbraw/zinc/32/73/22/950327322.db2.gz QUMFUMHVGOSEHS-AWEZNQCLSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccsn1 ZINC001575906993 950327607 /nfs/dbraw/zinc/32/76/07/950327607.db2.gz LNDYAGMQLSRKRM-MWLCHTKSSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccsn1 ZINC001575906993 950327630 /nfs/dbraw/zinc/32/76/30/950327630.db2.gz LNDYAGMQLSRKRM-MWLCHTKSSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@H](NCc2nccn2C(F)F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908196 950356418 /nfs/dbraw/zinc/35/64/18/950356418.db2.gz AWNSOBFPCLSYKX-MWLCHTKSSA-N 0 1 391.386 1.179 20 0 GDADMN CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575596885 950386959 /nfs/dbraw/zinc/38/69/59/950386959.db2.gz VWUNYMONQKEZPI-HNNXBMFYSA-N 0 1 390.451 1.504 20 0 GDADMN CC(C)CC1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001574162873 950409077 /nfs/dbraw/zinc/40/90/77/950409077.db2.gz KUMJOQBJVFTVBE-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574503699 950418821 /nfs/dbraw/zinc/41/88/21/950418821.db2.gz YTSAURIDEJJRHB-CABCVRRESA-N 0 1 380.456 1.657 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575597861 950423782 /nfs/dbraw/zinc/42/37/82/950423782.db2.gz XXNCFISQNIHDFV-PSTGCABASA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575597861 950423798 /nfs/dbraw/zinc/42/37/98/950423798.db2.gz XXNCFISQNIHDFV-PSTGCABASA-N 0 1 376.486 1.339 20 0 GDADMN CC1(C(=O)NCc2cccc3c2CCN(c2ccnc(-c4nn[nH]n4)n2)C3)CC1 ZINC001575599094 950427748 /nfs/dbraw/zinc/42/77/48/950427748.db2.gz CPBCFUPMZIYIKB-UHFFFAOYSA-N 0 1 390.451 1.636 20 0 GDADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574163824 950435980 /nfs/dbraw/zinc/43/59/80/950435980.db2.gz YXCATHPODPYUBX-UKRRQHHQSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574163824 950436000 /nfs/dbraw/zinc/43/60/00/950436000.db2.gz YXCATHPODPYUBX-UKRRQHHQSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001574165311 950444221 /nfs/dbraw/zinc/44/42/21/950444221.db2.gz CXAHVZKATGUELC-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](N[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccc(F)cc1F ZINC001574993587 950462671 /nfs/dbraw/zinc/46/26/71/950462671.db2.gz LIMULOLFVOFZLO-VHSXEESVSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3ccncc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575605508 950468225 /nfs/dbraw/zinc/46/82/25/950468225.db2.gz JNBHPSLXRVYATL-PJIJBLCYSA-N 0 1 385.472 1.340 20 0 GDADMN CC1CCN(CC(=O)NC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C2CC2)CC1 ZINC001576204704 950474167 /nfs/dbraw/zinc/47/41/67/950474167.db2.gz ARIXJVCUUDGGFZ-MRXNPFEDSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@H](CC(=O)NCCN(C)Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccn1 ZINC001574508665 950482288 /nfs/dbraw/zinc/48/22/88/950482288.db2.gz LMQPNZDGHQOCBN-CYBMUJFWSA-N 0 1 386.435 1.402 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC001575913941 950492174 /nfs/dbraw/zinc/49/21/74/950492174.db2.gz KLDCOPWICKQGSO-SCZZXKLOSA-N 0 1 389.370 1.638 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574995282 950500918 /nfs/dbraw/zinc/50/09/18/950500918.db2.gz DCBXRBWHLLZMGF-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573866413 950502788 /nfs/dbraw/zinc/50/27/88/950502788.db2.gz BEVBCEYHUJNMJN-UHFFFAOYSA-N 0 1 378.502 1.824 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573866413 950502805 /nfs/dbraw/zinc/50/28/05/950502805.db2.gz BEVBCEYHUJNMJN-UHFFFAOYSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753797 950543564 /nfs/dbraw/zinc/54/35/64/950543564.db2.gz SMCLHPPNZSSCNV-LBPRGKRZSA-N 0 1 378.440 1.529 20 0 GDADMN CC(C)CCC(=O)N1CCO[C@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574173042 950586631 /nfs/dbraw/zinc/58/66/31/950586631.db2.gz DTYZQCPRMUNTCL-MRXNPFEDSA-N 0 1 390.463 1.759 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575616605 950591482 /nfs/dbraw/zinc/59/14/82/950591482.db2.gz SKWDTZARAARNGO-GFCCVEGCSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(Cl)cs1 ZINC001575920259 950631347 /nfs/dbraw/zinc/63/13/47/950631347.db2.gz LZJHLZLMYQLYEM-WPRPVWTQSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC2(CC2)CC1 ZINC001575920523 950632659 /nfs/dbraw/zinc/63/26/59/950632659.db2.gz MJMCEOOONWAROA-GXTWGEPZSA-N 0 1 382.472 1.450 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCc1cccnc1 ZINC001575921362 950637708 /nfs/dbraw/zinc/63/77/08/950637708.db2.gz NNBBVUCFSVCNKW-YOEHRIQHSA-N 0 1 392.467 1.503 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576213654 950642974 /nfs/dbraw/zinc/64/29/74/950642974.db2.gz FWTXDWXHPKESCB-KKUMJFAQSA-N 0 1 384.488 1.443 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001576213654 950642991 /nfs/dbraw/zinc/64/29/91/950642991.db2.gz FWTXDWXHPKESCB-KKUMJFAQSA-N 0 1 384.488 1.443 20 0 GDADMN CC[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001589744875 950674038 /nfs/dbraw/zinc/67/40/38/950674038.db2.gz IQFXZEDZONMFGR-LIRRHRJNSA-N 0 1 399.488 1.068 20 0 GDADMN CC(C)CCC(=O)N[C@@]1(CO)CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574176622 950680134 /nfs/dbraw/zinc/68/01/34/950680134.db2.gz XGSUJXWQNCVEKL-FQEVSTJZSA-N 0 1 386.500 1.746 20 0 GDADMN CC(C)CCC(=O)N[C@]1(CO)CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574176623 950681155 /nfs/dbraw/zinc/68/11/55/950681155.db2.gz XGSUJXWQNCVEKL-HXUWFJFHSA-N 0 1 386.500 1.746 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575925726 950691780 /nfs/dbraw/zinc/69/17/80/950691780.db2.gz IEBRBFSXJAGHJO-BONVTDFDSA-N 0 1 385.378 1.677 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCc1ccccn1 ZINC001575926607 950719391 /nfs/dbraw/zinc/71/93/91/950719391.db2.gz XVMYSKBKRJJNJN-WMLDXEAASA-N 0 1 392.467 1.503 20 0 GDADMN C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576216216 950725110 /nfs/dbraw/zinc/72/51/10/950725110.db2.gz DCGKFLPGLKQMRQ-FZMZJTMJSA-N 0 1 382.472 1.021 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC001575927112 950737173 /nfs/dbraw/zinc/73/71/73/950737173.db2.gz NMJUUAZXKPROCD-GUYCJALGSA-N 0 1 392.467 1.465 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576216608 950741586 /nfs/dbraw/zinc/74/15/86/950741586.db2.gz DYQAVWQXTNCENK-ONGXEEELSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576216608 950741596 /nfs/dbraw/zinc/74/15/96/950741596.db2.gz DYQAVWQXTNCENK-ONGXEEELSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccn2nccc12 ZINC001575927769 950756328 /nfs/dbraw/zinc/75/63/28/950756328.db2.gz UCNJCLSLHPOFLD-DOMZBBRYSA-N 0 1 389.423 1.046 20 0 GDADMN C[C@H](CN(C)C(=O)c1nccs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574765103 950772644 /nfs/dbraw/zinc/77/26/44/950772644.db2.gz DXFKXSKMTNCXNU-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN CC1(C)CC(CC(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001575632322 950795330 /nfs/dbraw/zinc/79/53/30/950795330.db2.gz HNCURTKSYVKTJC-SJORKVTESA-N 0 1 384.484 1.354 20 0 GDADMN CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574186505 950814845 /nfs/dbraw/zinc/81/48/45/950814845.db2.gz FLXDHHMNDKMAJW-WMLDXEAASA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H](CN(C)C(=O)c1sccc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767642 950857526 /nfs/dbraw/zinc/85/75/26/950857526.db2.gz PLPLUHGPJYDWHK-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576222358 950866708 /nfs/dbraw/zinc/86/67/08/950866708.db2.gz YHKARSMXAIALKT-NXEZZACHSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576222205 950868296 /nfs/dbraw/zinc/86/82/96/950868296.db2.gz XURGPGLJPNSDAG-JOYOIKCWSA-N 0 1 381.362 1.285 20 0 GDADMN CC1(C)C[C@@H](NC(=O)c2ccn[nH]2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575640963 950907352 /nfs/dbraw/zinc/90/73/52/950907352.db2.gz MAPCWGKKVVSXHQ-LBPRGKRZSA-N 0 1 381.444 1.410 20 0 GDADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576227897 950923722 /nfs/dbraw/zinc/92/37/22/950923722.db2.gz FJLQGYZTIGXLRS-DZGCQCFKSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@H](C[C@H](C)NCc1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574529850 950960278 /nfs/dbraw/zinc/96/02/78/950960278.db2.gz AQODNUJPBCGPKR-VHSXEESVSA-N 0 1 391.867 1.268 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C1(C(F)F)CC1 ZINC001574774467 950999976 /nfs/dbraw/zinc/99/99/76/950999976.db2.gz CTFIKMDXQPWYBD-JTQLQIEISA-N 0 1 382.390 1.988 20 0 GDADMN CCOC(=O)N1CCC(C)(C[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1 ZINC001590873151 951004143 /nfs/dbraw/zinc/00/41/43/951004143.db2.gz JDGXSUHSYIFJFA-CHWWFWEZSA-N 0 1 396.484 1.831 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575019916 951048890 /nfs/dbraw/zinc/04/88/90/951048890.db2.gz WYMTYFZBIQRKIT-LLVKDONJSA-N 0 1 381.444 1.002 20 0 GDADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+]1CC[C@@](COC)(C(=O)[O-])C1 ZINC001591092154 951064349 /nfs/dbraw/zinc/06/43/49/951064349.db2.gz RGAFWCDIXOXBGP-KPZWWZAWSA-N 0 1 398.481 1.983 20 0 GDADMN CCOC(=O)c1sc(C2CC[NH+]([C@H]3CCN(CC(=O)[O-])C3=O)CC2)nc1C ZINC001591427089 951142432 /nfs/dbraw/zinc/14/24/32/951142432.db2.gz ZQRMUERJAOOOQL-ZDUSSCGKSA-N 0 1 395.481 1.493 20 0 GDADMN CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2ccncc2-c2nn[nH]n2)n1 ZINC001575026699 951145578 /nfs/dbraw/zinc/14/55/78/951145578.db2.gz MCMIMNZPYZVLPI-ZDUSSCGKSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@H](CNC(=O)c1ccc2cnccc2c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027528 951157237 /nfs/dbraw/zinc/15/72/37/951157237.db2.gz RPBSQGMCZNDEFW-GFCCVEGCSA-N 0 1 389.423 1.460 20 0 GDADMN C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575032010 951211998 /nfs/dbraw/zinc/21/19/98/951211998.db2.gz OBURJKTZQAGBLE-NSHDSACASA-N 0 1 379.428 1.184 20 0 GDADMN C[C@H](CNC(=O)c1ccnnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575034122 951238024 /nfs/dbraw/zinc/23/80/24/951238024.db2.gz IEHXSJFWCLFEOA-SSDOTTSWSA-N 0 1 379.837 1.245 20 0 GDADMN C[C@H](CNC(=O)c1ccn(C)c1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575035806 951282104 /nfs/dbraw/zinc/28/21/04/951282104.db2.gz LZAZRJYZQXDDPX-MRVPVSSYSA-N 0 1 380.865 1.793 20 0 GDADMN O=C([O-])CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001595018824 951304175 /nfs/dbraw/zinc/30/41/75/951304175.db2.gz FQVCGXNODGQKEF-GOEBONIOSA-N 0 1 376.453 1.888 20 0 GDADMN C[C@H]1[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000389068296 951344321 /nfs/dbraw/zinc/34/43/21/951344321.db2.gz VPUQCUXGZQASKJ-WMLDXEAASA-N 0 1 381.498 1.280 20 0 GDADMN C[C@H](CNC(=O)c1cn2c(n1)CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575044620 951416413 /nfs/dbraw/zinc/41/64/13/951416413.db2.gz SRSZRHYPMYGBSX-LLVKDONJSA-N 0 1 384.419 1.057 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C2CCC2)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575052098 951459976 /nfs/dbraw/zinc/45/99/76/951459976.db2.gz DBOVCDSWHSPMDK-LLVKDONJSA-N 0 1 386.485 1.758 20 0 GDADMN C[C@H](CNC(=O)c1cnn(C2CCC2)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575052098 951459983 /nfs/dbraw/zinc/45/99/83/951459983.db2.gz DBOVCDSWHSPMDK-LLVKDONJSA-N 0 1 386.485 1.758 20 0 GDADMN C[C@H](CNC(=O)c1cnn2c1CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575055465 951506193 /nfs/dbraw/zinc/50/61/93/951506193.db2.gz VAVRKYDDURPWES-LLVKDONJSA-N 0 1 384.419 1.057 20 0 GDADMN C[C@@H](CNC(=O)c1n[nH]c2ccccc21)CNc1ncccc1-c1nn[nH]n1 ZINC001575060786 951547921 /nfs/dbraw/zinc/54/79/21/951547921.db2.gz GNVVYVMUAVACAA-LLVKDONJSA-N 0 1 377.412 1.616 20 0 GDADMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000398202695 951584976 /nfs/dbraw/zinc/58/49/76/951584976.db2.gz NIDPIUJKWKTUCT-SFHVURJKSA-N 0 1 397.541 1.774 20 0 GDADMN CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575067999 951628212 /nfs/dbraw/zinc/62/82/12/951628212.db2.gz UUHKRPKCVDLPEB-LBPRGKRZSA-N 0 1 382.428 1.096 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)C1=O ZINC001595074829 951639516 /nfs/dbraw/zinc/63/95/16/951639516.db2.gz YBAJXIRJEAGYHT-WMLDXEAASA-N 0 1 397.269 1.418 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)C1=O ZINC001595074829 951639520 /nfs/dbraw/zinc/63/95/20/951639520.db2.gz YBAJXIRJEAGYHT-WMLDXEAASA-N 0 1 397.269 1.418 20 0 GDADMN O=C([O-])CN1CC[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1=O ZINC001595079901 951670640 /nfs/dbraw/zinc/67/06/40/951670640.db2.gz XBBVDYZYPMQBBR-NWDGAFQWSA-N 0 1 380.750 1.667 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575090965 951767209 /nfs/dbraw/zinc/76/72/09/951767209.db2.gz ONYABIQGPBCCEU-XJKSGUPXSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575091954 951786894 /nfs/dbraw/zinc/78/68/94/951786894.db2.gz ZPZBABBZQDCOJT-SFHVURJKSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575091954 951786901 /nfs/dbraw/zinc/78/69/01/951786901.db2.gz ZPZBABBZQDCOJT-SFHVURJKSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cccn1 ZINC001575099007 951828208 /nfs/dbraw/zinc/82/82/08/951828208.db2.gz HBFNPSSDBJQNIT-CHWSQXEVSA-N 0 1 388.501 1.618 20 0 GDADMN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1cccn1 ZINC001575099007 951828214 /nfs/dbraw/zinc/82/82/14/951828214.db2.gz HBFNPSSDBJQNIT-CHWSQXEVSA-N 0 1 388.501 1.618 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575099178 951830057 /nfs/dbraw/zinc/83/00/57/951830057.db2.gz IJBLNIKATNLULC-STQMWFEESA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001575099178 951830066 /nfs/dbraw/zinc/83/00/66/951830066.db2.gz IJBLNIKATNLULC-STQMWFEESA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099287 951832604 /nfs/dbraw/zinc/83/26/04/951832604.db2.gz JQNSLCFQWIKZGN-GFCCVEGCSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccnn1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099287 951832616 /nfs/dbraw/zinc/83/26/16/951832616.db2.gz JQNSLCFQWIKZGN-GFCCVEGCSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099775 951839740 /nfs/dbraw/zinc/83/97/40/951839740.db2.gz OKRGQMHRAWYLKJ-OLZOCXBDSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@@H](CNC(=O)CC[C@@H]1CCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099775 951839747 /nfs/dbraw/zinc/83/97/47/951839747.db2.gz OKRGQMHRAWYLKJ-OLZOCXBDSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnccn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099857 951840193 /nfs/dbraw/zinc/84/01/93/951840193.db2.gz PLCNIKAPJPXRQC-GFCCVEGCSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnccn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099857 951840201 /nfs/dbraw/zinc/84/02/01/951840201.db2.gz PLCNIKAPJPXRQC-GFCCVEGCSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101054 951852052 /nfs/dbraw/zinc/85/20/52/951852052.db2.gz YJPPYVMFVCHQNJ-TWJWRFFLSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101054 951852058 /nfs/dbraw/zinc/85/20/58/951852058.db2.gz YJPPYVMFVCHQNJ-TWJWRFFLSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575102690 951869710 /nfs/dbraw/zinc/86/97/10/951869710.db2.gz OLPRCKNLDMCUOK-NSHDSACASA-N 0 1 385.497 1.995 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575102690 951869715 /nfs/dbraw/zinc/86/97/15/951869715.db2.gz OLPRCKNLDMCUOK-NSHDSACASA-N 0 1 385.497 1.995 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575104198 951884620 /nfs/dbraw/zinc/88/46/20/951884620.db2.gz XZHLWESVVYXOIA-LLVKDONJSA-N 0 1 392.464 1.345 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575104198 951884624 /nfs/dbraw/zinc/88/46/24/951884624.db2.gz XZHLWESVVYXOIA-LLVKDONJSA-N 0 1 392.464 1.345 20 0 GDADMN C[C@@H](CNCc1csc(Cl)n1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575119286 951988101 /nfs/dbraw/zinc/98/81/01/951988101.db2.gz WMHNULSZNDHDGF-QMMMGPOBSA-N 0 1 380.865 1.460 20 0 GDADMN C[C@@H](CNCc1csc(Cl)n1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119598 951989277 /nfs/dbraw/zinc/98/92/77/951989277.db2.gz YHSAKKVOXXPHOX-QMMMGPOBSA-N 0 1 380.865 1.460 20 0 GDADMN C[C@@](CNc1ccc(-c2nn[nH]n2)nc1)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001575125080 952038953 /nfs/dbraw/zinc/03/89/53/952038953.db2.gz MDJDLKQVDIWMCY-SFHVURJKSA-N 0 1 381.444 1.314 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575131746 952087797 /nfs/dbraw/zinc/08/77/97/952087797.db2.gz AYBJHMABCNLMSX-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575131746 952087805 /nfs/dbraw/zinc/08/78/05/952087805.db2.gz AYBJHMABCNLMSX-HIFRSBDPSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](CNc1cccc(F)c1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001575137047 952132884 /nfs/dbraw/zinc/13/28/84/952132884.db2.gz SIVDIMWZVLZHLT-IJLUTSLNSA-N 0 1 384.419 1.791 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575143120 952149480 /nfs/dbraw/zinc/14/94/80/952149480.db2.gz NLFDFWMTUFXSEJ-INIZCTEOSA-N 0 1 387.835 1.071 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001575143638 952156042 /nfs/dbraw/zinc/15/60/42/952156042.db2.gz QGCBJHIDZCOODR-DZGCQCFKSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575143930 952158986 /nfs/dbraw/zinc/15/89/86/952158986.db2.gz DTCQOQFWXLLLJO-AUUYWEPGSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575144822 952172820 /nfs/dbraw/zinc/17/28/20/952172820.db2.gz MKQMOXAIABDEQB-SNVBAGLBSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575144902 952173354 /nfs/dbraw/zinc/17/33/54/952173354.db2.gz ZCVMMVFSWSNRJL-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1C(=O)[O-] ZINC000382365304 971809945 /nfs/dbraw/zinc/80/99/45/971809945.db2.gz NMSZIXZZEOMOMW-CYBMUJFWSA-N 0 1 377.466 1.965 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)Oc1ccc(Br)cc1 ZINC001575145398 952183506 /nfs/dbraw/zinc/18/35/06/952183506.db2.gz XCVNJDGOOFJQEJ-VIFPVBQESA-N 0 1 376.218 1.721 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575146642 952195903 /nfs/dbraw/zinc/19/59/03/952195903.db2.gz MPWHJOVFCPDSAN-SWLSCSKDSA-N 0 1 379.424 1.119 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575146808 952196675 /nfs/dbraw/zinc/19/66/75/952196675.db2.gz NXRYLHCXSKFCIR-GFCCVEGCSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575197658 952487203 /nfs/dbraw/zinc/48/72/03/952487203.db2.gz YNBMFTHZBGNHAW-CQSZACIVSA-N 0 1 380.452 1.887 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575197726 952487390 /nfs/dbraw/zinc/48/73/90/952487390.db2.gz YWUGDRPMWJQHMJ-GFCCVEGCSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)nc2)CCC1 ZINC001575199292 952488840 /nfs/dbraw/zinc/48/88/40/952488840.db2.gz BRQJCVWCBPECRI-LBPRGKRZSA-N 0 1 381.444 1.314 20 0 GDADMN O=C(c1ccns1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571119457 952491110 /nfs/dbraw/zinc/49/11/10/952491110.db2.gz BCPGDOWEZZHFAK-SNVBAGLBSA-N 0 1 375.483 1.779 20 0 GDADMN O=C(c1ccns1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571119457 952491117 /nfs/dbraw/zinc/49/11/17/952491117.db2.gz BCPGDOWEZZHFAK-SNVBAGLBSA-N 0 1 375.483 1.779 20 0 GDADMN O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001571119527 952492763 /nfs/dbraw/zinc/49/27/63/952492763.db2.gz BZTHUMBJWMESON-ZDUSSCGKSA-N 0 1 375.502 1.992 20 0 GDADMN O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001571119527 952492771 /nfs/dbraw/zinc/49/27/71/952492771.db2.gz BZTHUMBJWMESON-ZDUSSCGKSA-N 0 1 375.502 1.992 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC1(F)F ZINC001571120048 952498520 /nfs/dbraw/zinc/49/85/20/952498520.db2.gz IPOCHJIQQSAQFF-CABCVRRESA-N 0 1 376.411 1.993 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2cccc(F)c2-c2nn[nH]n2)CC1 ZINC001575201052 952501155 /nfs/dbraw/zinc/50/11/55/952501155.db2.gz NDUAGLUKDJWYDB-LLVKDONJSA-N 0 1 384.419 1.668 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1nc[nH]c(=O)c1Br ZINC001571120795 952508081 /nfs/dbraw/zinc/50/80/81/952508081.db2.gz QEKQZEGTBYPGRY-UHFFFAOYSA-N 0 1 376.174 1.686 20 0 GDADMN CS[C@@H](C)C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571121181 952515822 /nfs/dbraw/zinc/51/58/22/952515822.db2.gz XUOIJSOBBFXXRK-QWHCGFSZSA-N 0 1 375.502 1.606 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571123395 952529386 /nfs/dbraw/zinc/52/93/86/952529386.db2.gz RDCOBGUMYOCLSN-OCCSQVGLSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571123395 952529393 /nfs/dbraw/zinc/52/93/93/952529393.db2.gz RDCOBGUMYOCLSN-OCCSQVGLSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571123395 952529398 /nfs/dbraw/zinc/52/93/98/952529398.db2.gz RDCOBGUMYOCLSN-OCCSQVGLSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571123395 952529405 /nfs/dbraw/zinc/52/94/05/952529405.db2.gz RDCOBGUMYOCLSN-OCCSQVGLSA-N 0 1 376.486 1.388 20 0 GDADMN C[C@@H](Cn1cncn1)NS(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001575207937 952537614 /nfs/dbraw/zinc/53/76/14/952537614.db2.gz WPKJWGSGUZPMPQ-VIFPVBQESA-N 0 1 390.454 1.040 20 0 GDADMN CC(F)(F)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001575210390 952539410 /nfs/dbraw/zinc/53/94/10/952539410.db2.gz CNYOHRTVAYEANS-UHFFFAOYSA-N 0 1 386.428 1.338 20 0 GDADMN CC(F)(F)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001575210390 952539417 /nfs/dbraw/zinc/53/94/17/952539417.db2.gz CNYOHRTVAYEANS-UHFFFAOYSA-N 0 1 386.428 1.338 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cc2c([nH]1)CCC2 ZINC001571127536 952557059 /nfs/dbraw/zinc/55/70/59/952557059.db2.gz HFSNQKVEZWFUJI-MRXNPFEDSA-N 0 1 377.452 1.688 20 0 GDADMN CC(F)(F)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@]2(C)C1 ZINC001575214727 952566764 /nfs/dbraw/zinc/56/67/64/952566764.db2.gz ZINLJDJXAUYIIO-BMIGLBTASA-N 0 1 382.440 1.864 20 0 GDADMN CC(F)(F)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@]2(C)C1 ZINC001575214727 952566767 /nfs/dbraw/zinc/56/67/67/952566767.db2.gz ZINLJDJXAUYIIO-BMIGLBTASA-N 0 1 382.440 1.864 20 0 GDADMN CC(F)(F)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@]2(C)C1 ZINC001575214727 952566771 /nfs/dbraw/zinc/56/67/71/952566771.db2.gz ZINLJDJXAUYIIO-BMIGLBTASA-N 0 1 382.440 1.864 20 0 GDADMN CC(F)(F)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@]2(C)C1 ZINC001575214727 952566774 /nfs/dbraw/zinc/56/67/74/952566774.db2.gz ZINLJDJXAUYIIO-BMIGLBTASA-N 0 1 382.440 1.864 20 0 GDADMN Cc1cc(N[C@H]2CC[C@H](NC(=O)c3ccncc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134120 952586167 /nfs/dbraw/zinc/58/61/67/952586167.db2.gz DXHKFSLTXXTTLZ-SHTZXODSSA-N 0 1 378.440 1.540 20 0 GDADMN Cc1cc(N[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134473 952590471 /nfs/dbraw/zinc/59/04/71/952590471.db2.gz IQWGJWIHXNVEOU-OAHLLOKOSA-N 0 1 378.440 1.033 20 0 GDADMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3ccc(C)c(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135049 952598211 /nfs/dbraw/zinc/59/82/11/952598211.db2.gz QUKGCNXQYGMUOE-HDJSIYSDSA-N 0 1 378.440 1.377 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cncnc2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135572 952605731 /nfs/dbraw/zinc/60/57/31/952605731.db2.gz XFMILKGEMUIUNJ-SUMWQHHRSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[N@H+]1CC1CC(F)(F)C1 ZINC001571140234 952624610 /nfs/dbraw/zinc/62/46/10/952624610.db2.gz PDLAOBGBWWIUOD-ZWNOBZJWSA-N 0 1 379.415 1.823 20 0 GDADMN CNC(=O)Nc1ccc(C(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)cc1 ZINC001571140480 952626716 /nfs/dbraw/zinc/62/67/16/952626716.db2.gz AOUZXBFXNWSRJV-UHFFFAOYSA-N 0 1 378.805 1.980 20 0 GDADMN O=C(N[C@@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccc[nH]1 ZINC001571141034 952630587 /nfs/dbraw/zinc/63/05/87/952630587.db2.gz FXIOHGIMMRWPEG-MRVPVSSYSA-N 0 1 378.849 1.704 20 0 GDADMN O=C(NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnoc1C1CC1 ZINC001571142048 952638652 /nfs/dbraw/zinc/63/86/52/952638652.db2.gz OMIMZAMSKNZVEK-UHFFFAOYSA-N 0 1 379.424 1.594 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2ccn[nH]2)C3)n1 ZINC001571156622 952702554 /nfs/dbraw/zinc/70/25/54/952702554.db2.gz FJPAXRIKDASAPM-AVGNSLFASA-N 0 1 379.428 1.398 20 0 GDADMN Cc1cnc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc1C ZINC001571160331 952724779 /nfs/dbraw/zinc/72/47/79/952724779.db2.gz YPLATSBCQASZJA-CYBMUJFWSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1conc1C(=O)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571161639 952734508 /nfs/dbraw/zinc/73/45/08/952734508.db2.gz ZKRBYLSQHJHESA-CQSZACIVSA-N 0 1 380.412 1.347 20 0 GDADMN CCCn1nccc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571165598 952753873 /nfs/dbraw/zinc/75/38/73/952753873.db2.gz GPUCYNKKGRPZIG-INIZCTEOSA-N 0 1 380.456 1.478 20 0 GDADMN CN(C)c1cccc(CN2CC(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1 ZINC001571169796 952778309 /nfs/dbraw/zinc/77/83/09/952778309.db2.gz NRQXJUZTVPBSPN-UHFFFAOYSA-N 0 1 380.456 1.123 20 0 GDADMN Cc1cc(NC[C@]2(C)CCN(C(=O)c3ccn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571170077 952782921 /nfs/dbraw/zinc/78/29/21/952782921.db2.gz SDBUKDCMRFFCBH-IBGZPJMESA-N 0 1 380.456 1.295 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571170907 952790252 /nfs/dbraw/zinc/79/02/52/952790252.db2.gz ZFIHHKFULMMKMG-BZNIZROVSA-N 0 1 380.456 1.591 20 0 GDADMN Cc1cccc(F)c1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571178482 952842052 /nfs/dbraw/zinc/84/20/52/952842052.db2.gz KEFZOLBQOBUFNT-MLGOLLRUSA-N 0 1 381.415 1.704 20 0 GDADMN Cc1cc(C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccn3)CC2)c(C)o1 ZINC001571180981 952861620 /nfs/dbraw/zinc/86/16/20/952861620.db2.gz SBVKIZZTQGIHRD-UHFFFAOYSA-N 0 1 381.440 1.866 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)c1ccncc1F ZINC001571183018 952872405 /nfs/dbraw/zinc/87/24/05/952872405.db2.gz LZVHEBDWDDTGSW-AWEZNQCLSA-N 0 1 381.415 1.795 20 0 GDADMN C[C@H](c1cnccn1)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571183528 952879856 /nfs/dbraw/zinc/87/98/56/952879856.db2.gz CSYYBVDCQNIGPV-TZMCWYRMSA-N 0 1 381.444 1.282 20 0 GDADMN CC[C@H]1CN(C(=O)c2c[nH]nc2C)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571183674 952881206 /nfs/dbraw/zinc/88/12/06/952881206.db2.gz HELLQXIIFPCPIU-WFASDCNBSA-N 0 1 381.444 1.068 20 0 GDADMN CCc1cc(C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C)[nH]n1 ZINC001571184041 952887273 /nfs/dbraw/zinc/88/72/73/952887273.db2.gz PBENAOXNUSHOOA-VXGBXAGGSA-N 0 1 381.444 1.050 20 0 GDADMN CCCc1[nH]ccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571184089 952887867 /nfs/dbraw/zinc/88/78/67/952887867.db2.gz QCSWVZKUHKKZMQ-DGCLKSJQSA-N 0 1 381.444 1.074 20 0 GDADMN CCCc1[nH]ccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571184088 952888271 /nfs/dbraw/zinc/88/82/71/952888271.db2.gz QCSWVZKUHKKZMQ-AAEUAGOBSA-N 0 1 381.444 1.074 20 0 GDADMN Cc1nc[nH]c1C(=O)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571185510 952902226 /nfs/dbraw/zinc/90/22/26/952902226.db2.gz MPPDUQFXOWWOFX-UHFFFAOYSA-N 0 1 381.444 1.070 20 0 GDADMN Cc1ncc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1C ZINC001571187878 952910039 /nfs/dbraw/zinc/91/00/39/952910039.db2.gz CLLSCPNAGMTHHM-CYBMUJFWSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](C)[C@H](CNc3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571189631 952931749 /nfs/dbraw/zinc/93/17/49/952931749.db2.gz ZBRMMQXHQSXQCS-WCQYABFASA-N 0 1 381.444 1.504 20 0 GDADMN CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001571193916 952954776 /nfs/dbraw/zinc/95/47/76/952954776.db2.gz AYMCWSPWKNTBGM-OAHLLOKOSA-N 0 1 382.380 1.344 20 0 GDADMN Cc1cc(NCC2CC(NC(=O)c3ccncc3F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196128 952980256 /nfs/dbraw/zinc/98/02/56/952980256.db2.gz HPOZZUZLFBROLH-UHFFFAOYSA-N 0 1 382.403 1.147 20 0 GDADMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccon1 ZINC001571199776 953004149 /nfs/dbraw/zinc/00/41/49/953004149.db2.gz BRKFMVMZYVHCNN-GXTWGEPZSA-N 0 1 382.428 1.096 20 0 GDADMN Cc1cc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C(C)(C)C2)no1 ZINC001571200154 953007783 /nfs/dbraw/zinc/00/77/83/953007783.db2.gz BCVXZSCBDRFEPG-HNNXBMFYSA-N 0 1 382.428 1.251 20 0 GDADMN O=C(N1CCC[C@@H](c2nc[nH]n2)C1)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001571201451 953017897 /nfs/dbraw/zinc/01/78/97/953017897.db2.gz QCELGRGMZAESPS-LLVKDONJSA-N 0 1 382.403 1.562 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@H](N(C)c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571202737 953027445 /nfs/dbraw/zinc/02/74/45/953027445.db2.gz XPHZWLDNMQCMKJ-ZDUSSCGKSA-N 0 1 382.428 1.526 20 0 GDADMN C[C@@]1(CNc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001571214038 953098867 /nfs/dbraw/zinc/09/88/67/953098867.db2.gz VNPLZVPDGBFNEF-UGSOOPFHSA-N 0 1 382.472 1.309 20 0 GDADMN CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571214090 953099218 /nfs/dbraw/zinc/09/92/18/953099218.db2.gz WOSMIPCHWOBVNI-ZIAGYGMSSA-N 0 1 382.472 1.664 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571214323 953101877 /nfs/dbraw/zinc/10/18/77/953101877.db2.gz XEYKZQIKYKKAHB-MELADBBJSA-N 0 1 382.472 1.424 20 0 GDADMN O=C(C[C@@H]1CCCO1)N[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234653 953204481 /nfs/dbraw/zinc/20/44/81/953204481.db2.gz FHCJMNKSCXRVPQ-CIUDSAMLSA-N 0 1 383.865 1.605 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571238915 953233990 /nfs/dbraw/zinc/23/39/90/953233990.db2.gz CCCYZLAQPZMZEG-IAQYHMDHSA-N 0 1 384.419 1.512 20 0 GDADMN CC(C)c1cnc(CNC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001571242763 953259385 /nfs/dbraw/zinc/25/93/85/953259385.db2.gz NJUCPGIGUOVXEF-HAQNSBGRSA-N 0 1 384.444 1.604 20 0 GDADMN Cc1nc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)sc1C ZINC001571244568 953265125 /nfs/dbraw/zinc/26/51/25/953265125.db2.gz BCKPUGGVBHXVEM-TXEJJXNPSA-N 0 1 384.469 1.377 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571244572 953265177 /nfs/dbraw/zinc/26/51/77/953265177.db2.gz BHJGDGHKUVXZDB-LBPRGKRZSA-N 0 1 384.469 1.625 20 0 GDADMN CCN(C(=O)c1cnsn1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571244655 953265706 /nfs/dbraw/zinc/26/57/06/953265706.db2.gz DCOJPYVCZRORHG-CQSZACIVSA-N 0 1 384.469 1.455 20 0 GDADMN Cc1cc(N(C)C[C@H]2CCN(C(=O)c3ccsn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244822 953267196 /nfs/dbraw/zinc/26/71/96/953267196.db2.gz JQWPWLANKICQPW-GFCCVEGCSA-N 0 1 384.469 1.625 20 0 GDADMN CN(C[C@H]1CCCCN1C(=O)c1ccsn1)c1ccncc1-c1nn[nH]n1 ZINC001571245064 953270059 /nfs/dbraw/zinc/27/00/59/953270059.db2.gz NFSZLLGZWCZESX-GFCCVEGCSA-N 0 1 384.469 1.849 20 0 GDADMN Cc1cc(NC[C@@]2(C)CCN(C(=O)c3ccns3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245144 953270946 /nfs/dbraw/zinc/27/09/46/953270946.db2.gz OPUHJEQPTXDAOW-QGZVFWFLSA-N 0 1 384.469 1.413 20 0 GDADMN C[C@H]1C[C@H](NC(=O)Cc2cccs2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571245198 953271496 /nfs/dbraw/zinc/27/14/96/953271496.db2.gz FGIDZMUMJVULPQ-NWDGAFQWSA-N 0 1 384.469 1.434 20 0 GDADMN Cc1ccnc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571245638 953275163 /nfs/dbraw/zinc/27/51/63/953275163.db2.gz XTWULIBTARPFSI-HAQNSBGRSA-N 0 1 384.469 1.325 20 0 GDADMN Cc1ccnc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571245638 953275167 /nfs/dbraw/zinc/27/51/67/953275167.db2.gz XTWULIBTARPFSI-HAQNSBGRSA-N 0 1 384.469 1.325 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001571246302 953281550 /nfs/dbraw/zinc/28/15/50/953281550.db2.gz XSIYGCIDRLPEEI-AAEUAGOBSA-N 0 1 384.469 1.347 20 0 GDADMN Cc1nnsc1C(=O)N[C@]1(C)CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248767 953297087 /nfs/dbraw/zinc/29/70/87/953297087.db2.gz ZLBYVRMDZZXGGU-QGZVFWFLSA-N 0 1 384.469 1.421 20 0 GDADMN CC(C)(C)C1CC(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571249056 953300981 /nfs/dbraw/zinc/30/09/81/953300981.db2.gz BZFQCKRSKYLENH-JXQTWKCFSA-N 0 1 384.488 1.814 20 0 GDADMN Cc1cnc(CN[C@@H](C)C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)o1 ZINC001571251716 953319115 /nfs/dbraw/zinc/31/91/15/953319115.db2.gz UZVMJYNAGVGAAL-LBPRGKRZSA-N 0 1 384.444 1.522 20 0 GDADMN OC1(C[NH+]2CCCCC2)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001571252527 953329429 /nfs/dbraw/zinc/32/94/29/953329429.db2.gz OQSNVORCZLBSMR-UHFFFAOYSA-N 0 1 384.488 1.351 20 0 GDADMN OC1(C[NH+]2CCCCC2)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001571252527 953329431 /nfs/dbraw/zinc/32/94/31/953329431.db2.gz OQSNVORCZLBSMR-UHFFFAOYSA-N 0 1 384.488 1.351 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NCC2CC(NC(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001571252681 953332123 /nfs/dbraw/zinc/33/21/23/953332123.db2.gz UAFWTNFEJFPLNW-XUJLQICISA-N 0 1 384.488 1.361 20 0 GDADMN O=C(c1ccc(F)cn1)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571254425 953338998 /nfs/dbraw/zinc/33/89/98/953338998.db2.gz DBEYZZQMKTVIFH-AWEZNQCLSA-N 0 1 385.378 1.544 20 0 GDADMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC001589278902 953477317 /nfs/dbraw/zinc/47/73/17/953477317.db2.gz JORAALQNHJSCPM-CRAIPNDOSA-N 0 1 387.480 1.468 20 0 GDADMN COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000571560974 953663528 /nfs/dbraw/zinc/66/35/28/953663528.db2.gz JQWSNBHOAFJZOQ-UONOGXRCSA-N 0 1 377.441 1.277 20 0 GDADMN C[C@@H]1C[C@H]2CC[C@@H](C(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)[O-])C[N@H+]2C1 ZINC001589298491 953667707 /nfs/dbraw/zinc/66/77/07/953667707.db2.gz ACHZRPONFNYSII-DDBAPUKQSA-N 0 1 388.464 1.810 20 0 GDADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001589305785 953738558 /nfs/dbraw/zinc/73/85/58/953738558.db2.gz QUXASNTWKITNKX-WDEREUQCSA-N 0 1 379.482 1.849 20 0 GDADMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001589305785 953738570 /nfs/dbraw/zinc/73/85/70/953738570.db2.gz QUXASNTWKITNKX-WDEREUQCSA-N 0 1 379.482 1.849 20 0 GDADMN Cc1cc(N2CCC(NC(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000626757167 953812677 /nfs/dbraw/zinc/81/26/77/953812677.db2.gz ZMMGMUYHSDFYPL-MLGOLLRUSA-N 0 1 375.473 1.814 20 0 GDADMN COc1ccc(CN2CCN(C(=O)C[N@H+]3CC[C@@H](C(=O)[O-])[C@H](C)C3)CC2)cc1 ZINC000629494538 953823316 /nfs/dbraw/zinc/82/33/16/953823316.db2.gz BJKJZGZCRYPJJI-VQIMIIECSA-N 0 1 389.496 1.382 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000635019262 953870030 /nfs/dbraw/zinc/87/00/30/953870030.db2.gz BTGFYCHGSHOJBB-HXUWFJFHSA-N 0 1 393.459 1.288 20 0 GDADMN C[C@@H](CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)[N@H+]1CCCC[C@H]1C ZINC001589321066 953874968 /nfs/dbraw/zinc/87/49/68/953874968.db2.gz LPOAWCCEKRUMOA-PMPSAXMXSA-N 0 1 394.516 1.356 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3[C@H](C)CCC[C@@H]3C(=O)[O-])CC2)C1 ZINC001589326425 953916661 /nfs/dbraw/zinc/91/66/61/953916661.db2.gz UBZZCHJGPCGXEZ-JFIYKMOQSA-N 0 1 393.528 1.811 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3[C@H](C)CCC[C@@H]3C(=O)[O-])CC2)C1 ZINC001589326425 953916672 /nfs/dbraw/zinc/91/66/72/953916672.db2.gz UBZZCHJGPCGXEZ-JFIYKMOQSA-N 0 1 393.528 1.811 20 0 GDADMN Cc1cc(N2CCC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)nc(C)[nH+]1 ZINC000646152240 953932008 /nfs/dbraw/zinc/93/20/08/953932008.db2.gz SHIGDRBVCXKNGD-UHFFFAOYSA-N 0 1 375.473 1.959 20 0 GDADMN CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC(=O)[O-])CC1 ZINC000650505467 954020565 /nfs/dbraw/zinc/02/05/65/954020565.db2.gz FCHHDTFIPCFUCO-QGZVFWFLSA-N 0 1 381.517 1.717 20 0 GDADMN O=C([O-])[C@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC=CCC1 ZINC000653307880 954121832 /nfs/dbraw/zinc/12/18/32/954121832.db2.gz ZHNMNPBHEIWKTG-OAQYLSRUSA-N 0 1 385.464 1.258 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1=O ZINC000655578738 954217221 /nfs/dbraw/zinc/21/72/21/954217221.db2.gz FMCNKKSCLJINDL-BPKGMFCQSA-N 0 1 393.528 1.571 20 0 GDADMN C[C@H]1CN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC001589375240 954247514 /nfs/dbraw/zinc/24/75/14/954247514.db2.gz LRDSSLFVBVYHNQ-DZGCQCFKSA-N 0 1 383.489 1.545 20 0 GDADMN C[C@@H]1CN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC[C@H]1C(=O)[O-] ZINC001589388013 954315325 /nfs/dbraw/zinc/31/53/25/954315325.db2.gz QTUPYHJBHNOLMF-XYPHTWIQSA-N 0 1 388.468 1.711 20 0 GDADMN C[C@@H]1CN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC[C@H]1C(=O)[O-] ZINC001589388013 954315340 /nfs/dbraw/zinc/31/53/40/954315340.db2.gz QTUPYHJBHNOLMF-XYPHTWIQSA-N 0 1 388.468 1.711 20 0 GDADMN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cccc(OCC(=O)[O-])c2)C[C@H](C)O1 ZINC000659753665 954355054 /nfs/dbraw/zinc/35/50/54/954355054.db2.gz ONUKMHZOFJXNHT-UXLLHSPISA-N 0 1 376.453 1.864 20 0 GDADMN C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cccc(OCC(=O)[O-])c2)C[C@H](C)O1 ZINC000659753665 954355067 /nfs/dbraw/zinc/35/50/67/954355067.db2.gz ONUKMHZOFJXNHT-UXLLHSPISA-N 0 1 376.453 1.864 20 0 GDADMN C[C@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC[C@H]1C(=O)[O-] ZINC001589395987 954372874 /nfs/dbraw/zinc/37/28/74/954372874.db2.gz QDFBNQGFXHYIJF-FUHWJXTLSA-N 0 1 393.528 1.670 20 0 GDADMN COc1ccc(CC[N@@H+](CC(C)C)[C@@H]2CCN(CC(=O)[O-])C2=O)cc1OC ZINC000662203525 954378541 /nfs/dbraw/zinc/37/85/41/954378541.db2.gz FGCLYXHQWDTMTR-MRXNPFEDSA-N 0 1 378.469 1.890 20 0 GDADMN CCN(CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)[C@H](C)C(=O)[O-] ZINC000662215191 954385908 /nfs/dbraw/zinc/38/59/08/954385908.db2.gz IWLPZFRZTCJFOD-MRXNPFEDSA-N 0 1 377.485 1.525 20 0 GDADMN CO[C@](C)(C(=O)[O-])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000663058998 954427647 /nfs/dbraw/zinc/42/76/47/954427647.db2.gz CAUSEVBYZHYRKU-SFHVURJKSA-N 0 1 383.876 1.458 20 0 GDADMN C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CC1 ZINC001593760263 954478019 /nfs/dbraw/zinc/47/80/19/954478019.db2.gz YHDVJLHZEGGNAG-UEXGIBASSA-N 0 1 387.480 1.640 20 0 GDADMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCCCC1 ZINC001593760267 954480310 /nfs/dbraw/zinc/48/03/10/954480310.db2.gz YNQNUUVUXLEATA-UHFFFAOYSA-N 0 1 385.468 1.927 20 0 GDADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001594895329 954561034 /nfs/dbraw/zinc/56/10/34/954561034.db2.gz FHXJGAGALWMQGA-ZWUHOBOKSA-N 0 1 394.390 1.311 20 0 GDADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001594895329 954561049 /nfs/dbraw/zinc/56/10/49/954561049.db2.gz FHXJGAGALWMQGA-ZWUHOBOKSA-N 0 1 394.390 1.311 20 0 GDADMN C[NH+]1CCN([C@@H](CNC(=O)Nc2cccnc2C(=O)[O-])c2cccs2)CC1 ZINC001593780723 954654768 /nfs/dbraw/zinc/65/47/68/954654768.db2.gz FIVQWOQHVGRYEE-AWEZNQCLSA-N 0 1 389.481 1.952 20 0 GDADMN C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](Cc3ccncc3)C(=O)[O-])s2)CC1 ZINC001593784372 954682107 /nfs/dbraw/zinc/68/21/07/954682107.db2.gz HFVHPYLOGDKQOU-MRXNPFEDSA-N 0 1 388.493 1.316 20 0 GDADMN CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)ccc1C ZINC001593799005 954843748 /nfs/dbraw/zinc/84/37/48/954843748.db2.gz LZDUNICQURWUNU-AWEZNQCLSA-N 0 1 397.497 1.418 20 0 GDADMN CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)ccc1C ZINC001593799005 954843763 /nfs/dbraw/zinc/84/37/63/954843763.db2.gz LZDUNICQURWUNU-AWEZNQCLSA-N 0 1 397.497 1.418 20 0 GDADMN COC(=O)C1CC2(C1)C[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)C[C@@H]2C(=O)[O-] ZINC001593823973 955071710 /nfs/dbraw/zinc/07/17/10/955071710.db2.gz HWPLDCPFTKRGOQ-CZDRUDQFSA-N 0 1 388.420 1.414 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)C[C@@H]2C(=O)[O-] ZINC001593823973 955071720 /nfs/dbraw/zinc/07/17/20/955071720.db2.gz HWPLDCPFTKRGOQ-CZDRUDQFSA-N 0 1 388.420 1.414 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](C[C@@H](O)c1cc(OC)ccc1OC)C[C@@H]2C(=O)[O-] ZINC001593824288 955076169 /nfs/dbraw/zinc/07/61/69/955076169.db2.gz KSMVUVMHJGPFGX-ZXNHSCLQSA-N 0 1 393.436 1.323 20 0 GDADMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccnc(Br)c1)C[C@@H]2C(=O)[O-] ZINC001593824813 955087426 /nfs/dbraw/zinc/08/74/26/955087426.db2.gz 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ZINC000820570623 606166277 /nfs/dbraw/zinc/16/62/77/606166277.db2.gz OQBNJCXZWLQWDE-JSGCOSHPSA-N 0 1 381.444 1.557 20 0 GDADMN COc1cccc([C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)N2CCCC2)c1 ZINC000821859636 606245392 /nfs/dbraw/zinc/24/53/92/606245392.db2.gz RMOULZFQPMGTRC-KRWDZBQOSA-N 0 1 381.440 1.770 20 0 GDADMN C[C@H]1CCCC[C@H]1OCCNCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820703592 606309056 /nfs/dbraw/zinc/30/90/56/606309056.db2.gz IDGXALQAKAPQMK-WMLDXEAASA-N 0 1 393.513 1.825 20 0 GDADMN CC[C@H](CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1ccccc1F ZINC000820907752 606372155 /nfs/dbraw/zinc/37/21/55/606372155.db2.gz GPUPINAOMWPCTM-RHSMWYFYSA-N 0 1 384.415 1.979 20 0 GDADMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2cccc(-c3nn[nH]n3)c2)C[C@@H](C)O1 ZINC000820751867 606534663 /nfs/dbraw/zinc/53/46/63/606534663.db2.gz IJWZAUBLZILDJO-IIDMSEBBSA-N 0 1 384.484 1.509 20 0 GDADMN CN1CCN(c2ncccc2CNC(=O)c2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821628190 606536046 /nfs/dbraw/zinc/53/60/46/606536046.db2.gz CDLWZUJDOIMSSM-UHFFFAOYSA-N 0 1 384.469 1.005 20 0 GDADMN CC[C@@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CCN1C[C@H](C)O ZINC000820988283 606596906 /nfs/dbraw/zinc/59/69/06/606596906.db2.gz DSHIDGQBVLSBHI-WCQYABFASA-N 0 1 377.424 1.315 20 0 GDADMN C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000820316613 606699099 /nfs/dbraw/zinc/69/90/99/606699099.db2.gz WAPBGZMDWDTNPF-STQMWFEESA-N 0 1 397.487 1.302 20 0 GDADMN C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000820316613 606699101 /nfs/dbraw/zinc/69/91/01/606699101.db2.gz WAPBGZMDWDTNPF-STQMWFEESA-N 0 1 397.487 1.302 20 0 GDADMN C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857641 606699438 /nfs/dbraw/zinc/69/94/38/606699438.db2.gz TUWZVRMZJRUKIW-GFCCVEGCSA-N 0 1 389.508 1.216 20 0 GDADMN C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857641 606699439 /nfs/dbraw/zinc/69/94/39/606699439.db2.gz TUWZVRMZJRUKIW-GFCCVEGCSA-N 0 1 389.508 1.216 20 0 GDADMN COc1cc(C[N@@H+]2CC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc(OC)c1 ZINC000821716626 606728192 /nfs/dbraw/zinc/72/81/92/606728192.db2.gz CPINONDBLLMQPN-CQSZACIVSA-N 0 1 381.440 1.965 20 0 GDADMN COc1cc(C[N@H+]2CC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc(OC)c1 ZINC000821716626 606728193 /nfs/dbraw/zinc/72/81/93/606728193.db2.gz CPINONDBLLMQPN-CQSZACIVSA-N 0 1 381.440 1.965 20 0 GDADMN COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000821649919 606755350 /nfs/dbraw/zinc/75/53/50/606755350.db2.gz GMHAGLXNXHPUGN-LSDHHAIUSA-N 0 1 382.428 1.387 20 0 GDADMN COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000821649919 606755352 /nfs/dbraw/zinc/75/53/52/606755352.db2.gz GMHAGLXNXHPUGN-LSDHHAIUSA-N 0 1 382.428 1.387 20 0 GDADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@@]2(CCOC2)C1 ZINC000819876352 606771716 /nfs/dbraw/zinc/77/17/16/606771716.db2.gz FZMJXHBKYYKGRG-BBATYDOGSA-N 0 1 388.497 1.856 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCSc1ccccc1 ZINC000820788345 606780020 /nfs/dbraw/zinc/78/00/20/606780020.db2.gz DQOYINXINZYKGU-AWEZNQCLSA-N 0 1 382.497 1.960 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCSc1ccccc1 ZINC000820788345 606780022 /nfs/dbraw/zinc/78/00/22/606780022.db2.gz DQOYINXINZYKGU-AWEZNQCLSA-N 0 1 382.497 1.960 20 0 GDADMN Cc1ccccc1OCCC[N@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822366834 606784701 /nfs/dbraw/zinc/78/47/01/606784701.db2.gz VEWRSKZJWQCVHW-INIZCTEOSA-N 0 1 394.483 1.945 20 0 GDADMN Cc1ccccc1OCCC[N@@H+]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822366834 606784702 /nfs/dbraw/zinc/78/47/02/606784702.db2.gz VEWRSKZJWQCVHW-INIZCTEOSA-N 0 1 394.483 1.945 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1-c1nn[nH]n1 ZINC000821970214 606819191 /nfs/dbraw/zinc/81/91/91/606819191.db2.gz LMYPYQURFSSHNL-LLVKDONJSA-N 0 1 399.436 1.378 20 0 GDADMN COC(=O)CCCCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821660153 606884682 /nfs/dbraw/zinc/88/46/82/606884682.db2.gz HTNZTYJDENXYOL-UHFFFAOYSA-N 0 1 389.384 1.157 20 0 GDADMN O=S(=O)([N-][C@H]1CC[N@H+]2CCCC[C@@H]12)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572535 606887753 /nfs/dbraw/zinc/88/77/53/606887753.db2.gz IRDOUHJLZRUTTQ-STQMWFEESA-N 0 1 384.412 1.050 20 0 GDADMN CC[C@@]1(C)CCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820951242 606920031 /nfs/dbraw/zinc/92/00/31/606920031.db2.gz WWGSAIKUOGZJHY-IBGZPJMESA-N 0 1 383.456 1.710 20 0 GDADMN CC(C)n1nccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000820214448 606994750 /nfs/dbraw/zinc/99/47/50/606994750.db2.gz BWWRJIMZUJVWOV-UHFFFAOYSA-N 0 1 397.443 1.472 20 0 GDADMN O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)c1ncccc1O ZINC000823346799 607049793 /nfs/dbraw/zinc/04/97/93/607049793.db2.gz RAVWMIXZSFEAIH-UHFFFAOYSA-N 0 1 381.396 1.181 20 0 GDADMN O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000823705346 607129480 /nfs/dbraw/zinc/12/94/80/607129480.db2.gz GFVWFLNQZMGJQQ-DLBZAZTESA-N 0 1 394.483 1.990 20 0 GDADMN O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000823705346 607129482 /nfs/dbraw/zinc/12/94/82/607129482.db2.gz GFVWFLNQZMGJQQ-DLBZAZTESA-N 0 1 394.483 1.990 20 0 GDADMN Cc1cccc([C@@H](O)CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000822289196 607141547 /nfs/dbraw/zinc/14/15/47/607141547.db2.gz UOVVAPKSSJAILN-AWEZNQCLSA-N 0 1 395.391 1.465 20 0 GDADMN COCn1nccc1S(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000530374729 649971013 /nfs/dbraw/zinc/97/10/13/649971013.db2.gz AVGXTGHTJNDWNV-CJNGLKHVSA-N 0 1 384.527 1.910 20 0 GDADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823314587 607202928 /nfs/dbraw/zinc/20/29/28/607202928.db2.gz RGFZWXKZRUGIJF-LBPRGKRZSA-N 0 1 391.863 1.706 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1nc2cc(Cl)ccc2s1 ZINC000823131668 607206074 /nfs/dbraw/zinc/20/60/74/607206074.db2.gz LREBUSRJJXVMAF-UHFFFAOYSA-N 0 1 389.832 1.080 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(OCc2cccnc2)c1 ZINC000823136364 607209276 /nfs/dbraw/zinc/20/92/76/607209276.db2.gz XSCSVRIUDLWAOD-UHFFFAOYSA-N 0 1 377.368 1.071 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000823123198 607209359 /nfs/dbraw/zinc/20/93/59/607209359.db2.gz RQBPGXXKFBDQNK-JTQLQIEISA-N 0 1 390.810 1.484 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000823127193 607220645 /nfs/dbraw/zinc/22/06/45/607220645.db2.gz WKDLQZGWJMIHCM-UHFFFAOYSA-N 0 1 392.345 1.673 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000823136035 607221751 /nfs/dbraw/zinc/22/17/51/607221751.db2.gz GVXMZEVEMHXTLI-UHFFFAOYSA-N 0 1 395.427 1.616 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000823122524 607222308 /nfs/dbraw/zinc/22/23/08/607222308.db2.gz DXCKGFCIIHTUQV-UHFFFAOYSA-N 0 1 392.345 1.178 20 0 GDADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(Oc2ccccc2)c1 ZINC000822237561 607222359 /nfs/dbraw/zinc/22/23/59/607222359.db2.gz ZSUWULLISISSEQ-UHFFFAOYSA-N 0 1 390.407 1.875 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCOc1ccc2ccccc2c1 ZINC000823131263 607224744 /nfs/dbraw/zinc/22/47/44/607224744.db2.gz DREXARJCOQEYKA-UHFFFAOYSA-N 0 1 378.396 1.197 20 0 GDADMN CCN1CCC[C@@H]1CN(C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825452808 607816192 /nfs/dbraw/zinc/81/61/92/607816192.db2.gz QIBNFWYSRPQZSA-OAHLLOKOSA-N 0 1 378.502 1.057 20 0 GDADMN CCN1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825459097 607825726 /nfs/dbraw/zinc/82/57/26/607825726.db2.gz IAOXDKPNZFJVQH-AWEZNQCLSA-N 0 1 385.472 1.528 20 0 GDADMN CC(C)(C)c1nc(-c2nn[nH]n2)c(NNC(=S)NC[C@H]2CCCCO2)o1 ZINC000824141493 607966866 /nfs/dbraw/zinc/96/68/66/607966866.db2.gz IEAFXTZKLHHEKK-SECBINFHSA-N 0 1 380.478 1.512 20 0 GDADMN COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826132891 608003113 /nfs/dbraw/zinc/00/31/13/608003113.db2.gz HWYYFBUWMHOKFP-KPZWWZAWSA-N 0 1 390.444 1.727 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cccc(C)c3)CC2)c1-c1nnn[n-]1 ZINC000826073340 608020159 /nfs/dbraw/zinc/02/01/59/608020159.db2.gz OOFGBXNCXBHIPJ-UHFFFAOYSA-N 0 1 380.456 1.721 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cccc(C)c3)CC2)c1-c1nn[n-]n1 ZINC000826073340 608020160 /nfs/dbraw/zinc/02/01/60/608020160.db2.gz OOFGBXNCXBHIPJ-UHFFFAOYSA-N 0 1 380.456 1.721 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826077408 608021246 /nfs/dbraw/zinc/02/12/46/608021246.db2.gz HGNVNIBOENUZBU-NWDGAFQWSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826077408 608021247 /nfs/dbraw/zinc/02/12/47/608021247.db2.gz HGNVNIBOENUZBU-NWDGAFQWSA-N 0 1 376.465 1.276 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000826182856 608032972 /nfs/dbraw/zinc/03/29/72/608032972.db2.gz WKOQAMIUEZYNGW-KRWDZBQOSA-N 0 1 383.456 1.554 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cnn(-c2ccccc2)c1 ZINC000825933318 608034172 /nfs/dbraw/zinc/03/41/72/608034172.db2.gz BNYMYEMSSKJBLK-UHFFFAOYSA-N 0 1 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945647833 /nfs/dbraw/zinc/64/78/33/945647833.db2.gz GVZBFCNBSDABFC-YPMHNXCESA-N 0 1 386.485 1.537 20 0 GDADMN CCc1cnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)o1 ZINC000821499477 945710681 /nfs/dbraw/zinc/71/06/81/945710681.db2.gz LQMXHNSJOOCKJU-UHFFFAOYSA-N 0 1 396.411 1.987 20 0 GDADMN CNC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821629933 945757821 /nfs/dbraw/zinc/75/78/21/945757821.db2.gz GTVPZOAAMWJUBA-VHSXEESVSA-N 0 1 379.852 1.161 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279862 945790724 /nfs/dbraw/zinc/79/07/24/945790724.db2.gz YCKUJGLTYNTSKU-CMPLNLGQSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279862 945790733 /nfs/dbraw/zinc/79/07/33/945790733.db2.gz YCKUJGLTYNTSKU-CMPLNLGQSA-N 0 1 387.444 1.855 20 0 GDADMN CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573452762 945854305 /nfs/dbraw/zinc/85/43/05/945854305.db2.gz HONAQQGUXZQIJF-FUHWJXTLSA-N 0 1 381.415 1.558 20 0 GDADMN C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282868 945867185 /nfs/dbraw/zinc/86/71/85/945867185.db2.gz TUVFNMJJULYKPM-ZIAGYGMSSA-N 0 1 387.463 1.893 20 0 GDADMN Cc1cc(N[C@H]2CCCCCN(C(=O)CC(C)(C)O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571284128 945896843 /nfs/dbraw/zinc/89/68/43/945896843.db2.gz LWACTOLUMNYODJ-AWEZNQCLSA-N 0 1 387.488 1.336 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21)c1ccccc1 ZINC001571285307 945913877 /nfs/dbraw/zinc/91/38/77/945913877.db2.gz ANNSKEYPZBIMIM-URLYPYJESA-N 0 1 387.856 1.841 20 0 GDADMN C[C@]1(C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CCOC1 ZINC001571287213 945967656 /nfs/dbraw/zinc/96/76/56/945967656.db2.gz AWPHFYWMQFSZAO-IBGZPJMESA-N 0 1 388.447 1.513 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCO2)CCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571287480 945974968 /nfs/dbraw/zinc/97/49/68/945974968.db2.gz FKSVCGNPTQEKFN-IFIJOSMWSA-N 0 1 388.447 1.654 20 0 GDADMN O=C(N[C@H]1CCC[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1ncn[nH]1 ZINC001571290746 946055086 /nfs/dbraw/zinc/05/50/86/946055086.db2.gz NUOGJVRJCHFVLP-UWVGGRQHSA-N 0 1 388.823 1.186 20 0 GDADMN O=C(N[C@H]1CCC[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1nc[nH]n1 ZINC001571290746 946055101 /nfs/dbraw/zinc/05/51/01/946055101.db2.gz NUOGJVRJCHFVLP-UWVGGRQHSA-N 0 1 388.823 1.186 20 0 GDADMN Cc1nc(CN2CCCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)oc1C ZINC000822441102 946091712 /nfs/dbraw/zinc/09/17/12/946091712.db2.gz STTVNEVLENNITB-SFHVURJKSA-N 0 1 397.483 1.713 20 0 GDADMN Cc1nscc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294095 946125009 /nfs/dbraw/zinc/12/50/09/946125009.db2.gz AJQVMKHLHNSVML-XYPYZODXSA-N 0 1 389.510 1.991 20 0 GDADMN Cc1nscc1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571294095 946125018 /nfs/dbraw/zinc/12/50/18/946125018.db2.gz AJQVMKHLHNSVML-XYPYZODXSA-N 0 1 389.510 1.991 20 0 GDADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(C(F)F)o1 ZINC001571295299 946159666 /nfs/dbraw/zinc/15/96/66/946159666.db2.gz XAZOSMXUAHPUQE-UHFFFAOYSA-N 0 1 390.354 1.230 20 0 GDADMN CCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001571298363 946213416 /nfs/dbraw/zinc/21/34/16/946213416.db2.gz FNCQWKPNFPNZBN-HOTGVXAUSA-N 0 1 390.451 1.713 20 0 GDADMN O=C(Cc1ccccc1)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571298800 946231536 /nfs/dbraw/zinc/23/15/36/946231536.db2.gz RDZZPIAHNMJDNX-CABCVRRESA-N 0 1 390.451 1.161 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298873 946233627 /nfs/dbraw/zinc/23/36/27/946233627.db2.gz LGXRSSIXYFANTG-CABCVRRESA-N 0 1 390.451 1.130 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)c3scnc3Cl)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299016 946234798 /nfs/dbraw/zinc/23/47/98/946234798.db2.gz GWDAAZYBASHSEN-SECBINFHSA-N 0 1 390.860 1.429 20 0 GDADMN O=C(NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571298987 946234870 /nfs/dbraw/zinc/23/48/70/946234870.db2.gz SVGAIZXKRARTQE-DRPJVOAASA-N 0 1 390.451 1.189 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001571299240 946243938 /nfs/dbraw/zinc/24/39/38/946243938.db2.gz PPHVBTCPTMOFKB-HZPDHXFCSA-N 0 1 390.451 1.849 20 0 GDADMN C[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCN1C1CCCC1 ZINC001571299374 946248713 /nfs/dbraw/zinc/24/87/13/946248713.db2.gz LSDTXRKKUGRBQD-CQSZACIVSA-N 0 1 390.513 1.645 20 0 GDADMN O=C([C@@H]1CCc2cccnc21)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571299529 946254511 /nfs/dbraw/zinc/25/45/11/946254511.db2.gz SZDJEBCAKQYFRT-DZGCQCFKSA-N 0 1 390.451 1.069 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H](c1ccccc1)C1CC1 ZINC001571299563 946255003 /nfs/dbraw/zinc/25/50/03/946255003.db2.gz XFTKFYJYHWCZIN-NVXWUHKLSA-N 0 1 390.451 1.545 20 0 GDADMN CC1(C)C[C@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F ZINC001571308737 946436303 /nfs/dbraw/zinc/43/63/03/946436303.db2.gz SPSZKWLJLLAFMT-MNOVXSKESA-N 0 1 392.414 1.281 20 0 GDADMN O=S(=O)(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccnc1-c1nn[nH]n1 ZINC001571311385 946487411 /nfs/dbraw/zinc/48/74/11/946487411.db2.gz WKTBQGFGPXYQRR-GHMZBOCLSA-N 0 1 392.466 1.522 20 0 GDADMN Cc1ccc(C)c(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1 ZINC001571315863 946560985 /nfs/dbraw/zinc/56/09/85/946560985.db2.gz QAXHSCFFKCSRFV-GDBMZVCRSA-N 0 1 392.467 1.457 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)cnn1 ZINC001571316313 946572504 /nfs/dbraw/zinc/57/25/04/946572504.db2.gz ZHEPWSGZQHFDNS-KRWDZBQOSA-N 0 1 392.467 1.606 20 0 GDADMN Cc1ncncc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001571316546 946579569 /nfs/dbraw/zinc/57/95/69/946579569.db2.gz FXZFDNRMHLTIRM-QGZVFWFLSA-N 0 1 392.467 1.606 20 0 GDADMN O=C(NC[C@H]1C[C@@H](NCc2ncc(Cl)s2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571317689 946618821 /nfs/dbraw/zinc/61/88/21/946618821.db2.gz QVOOCMUZZSKYCR-WAAGHKOSSA-N 0 1 392.876 1.603 20 0 GDADMN CC[NH+](CC)CCCC1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000825412057 947181474 /nfs/dbraw/zinc/18/14/74/947181474.db2.gz IXTFMGIIHQRMJU-UHFFFAOYSA-N 0 1 389.508 1.966 20 0 GDADMN CC[NH+](CC)CCCC1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000825412057 947181480 /nfs/dbraw/zinc/18/14/80/947181480.db2.gz IXTFMGIIHQRMJU-UHFFFAOYSA-N 0 1 389.508 1.966 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC001573585963 947274093 /nfs/dbraw/zinc/27/40/93/947274093.db2.gz KCMIKTVIUFQSCL-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573585963 947274103 /nfs/dbraw/zinc/27/41/03/947274103.db2.gz KCMIKTVIUFQSCL-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)[NH+]1CCCCCC1 ZINC001573586584 947291376 /nfs/dbraw/zinc/29/13/76/947291376.db2.gz REXXXMZNCJTFGO-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)[NH+]1CCCCCC1 ZINC001573586584 947291386 /nfs/dbraw/zinc/29/13/86/947291386.db2.gz REXXXMZNCJTFGO-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(F)F ZINC001573597936 947439074 /nfs/dbraw/zinc/43/90/74/947439074.db2.gz PNAAPXMDNXEPSE-NXEZZACHSA-N 0 1 388.444 1.128 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(F)F ZINC001573597936 947439084 /nfs/dbraw/zinc/43/90/84/947439084.db2.gz PNAAPXMDNXEPSE-NXEZZACHSA-N 0 1 388.444 1.128 20 0 GDADMN C[C@H](C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573597854 947440838 /nfs/dbraw/zinc/44/08/38/947440838.db2.gz PBWCHDPTDQCEIR-ZDUSSCGKSA-N 0 1 383.460 1.084 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000327410155 971396873 /nfs/dbraw/zinc/39/68/73/971396873.db2.gz ALFZFNXEIQAHGM-MRXNPFEDSA-N 0 1 388.873 1.763 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573613440 947562707 /nfs/dbraw/zinc/56/27/07/947562707.db2.gz AHNHBUSGPCLNBS-BHYGNILZSA-N 0 1 392.467 1.500 20 0 GDADMN C[C@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573614149 947578770 /nfs/dbraw/zinc/57/87/70/947578770.db2.gz CJDTUUSVVSLDKR-ORAYPTAESA-N 0 1 381.440 1.731 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573350485 947598473 /nfs/dbraw/zinc/59/84/73/947598473.db2.gz CHWWQZRUKDGLAX-OAHLLOKOSA-N 0 1 390.451 1.898 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)C(F)(F)F ZINC001573616211 947619631 /nfs/dbraw/zinc/61/96/31/947619631.db2.gz VSHWQCQDTNZSMI-BXKDBHETSA-N 0 1 383.378 1.531 20 0 GDADMN C=Cc1ccc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)cc1 ZINC001573355048 947639181 /nfs/dbraw/zinc/63/91/81/947639181.db2.gz LFHOPCJCBZBQTR-IYBDPMFKSA-N 0 1 388.435 1.508 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618937 947657215 /nfs/dbraw/zinc/65/72/15/947657215.db2.gz UCKZRCGLGDLCDB-NEPJUHHUSA-N 0 1 379.415 1.838 20 0 GDADMN C/C(=C\C(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573361796 947696873 /nfs/dbraw/zinc/69/68/73/947696873.db2.gz DXJZGFPQKRMUBQ-ACCUITESSA-N 0 1 382.472 1.736 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573627435 947724857 /nfs/dbraw/zinc/72/48/57/947724857.db2.gz BHOIHWMMDUEXEU-YPMHNXCESA-N 0 1 384.469 1.347 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573367947 947765218 /nfs/dbraw/zinc/76/52/18/947765218.db2.gz JPDRNNNUZRFVKD-CABCVRRESA-N 0 1 385.472 1.400 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](C)CN(C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573375877 947828015 /nfs/dbraw/zinc/82/80/15/947828015.db2.gz QZECCXNSQUHCBL-LBPRGKRZSA-N 0 1 376.436 1.702 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573376148 947832713 /nfs/dbraw/zinc/83/27/13/947832713.db2.gz RYIHECQXXZMPIO-QGZVFWFLSA-N 0 1 385.472 1.530 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573377736 947852947 /nfs/dbraw/zinc/85/29/47/947852947.db2.gz SDPZSKWJTZENIZ-AWEZNQCLSA-N 0 1 386.460 1.233 20 0 GDADMN Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826299267 947864833 /nfs/dbraw/zinc/86/48/33/947864833.db2.gz XSZYMEWPDXIBGF-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826299267 947864842 /nfs/dbraw/zinc/86/48/42/947864842.db2.gz XSZYMEWPDXIBGF-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN CC(=O)CCCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001573380867 947865594 /nfs/dbraw/zinc/86/55/94/947865594.db2.gz ITZKWOWZIYHSFQ-UHFFFAOYSA-N 0 1 386.460 1.069 20 0 GDADMN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1-c1nn[nH]n1 ZINC000826299799 947869307 /nfs/dbraw/zinc/86/93/07/947869307.db2.gz VVBPCFIXODDNKM-UHFFFAOYSA-N 0 1 398.448 1.868 20 0 GDADMN CC(=O)CCCC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001573381505 947874012 /nfs/dbraw/zinc/87/40/12/947874012.db2.gz WPOLSISVZAGAQS-UHFFFAOYSA-N 0 1 376.486 1.816 20 0 GDADMN CC(=O)CCCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001573381505 947874021 /nfs/dbraw/zinc/87/40/21/947874021.db2.gz WPOLSISVZAGAQS-UHFFFAOYSA-N 0 1 376.486 1.816 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573381499 947875136 /nfs/dbraw/zinc/87/51/36/947875136.db2.gz WKWNBTLMKCUJKE-HIFRSBDPSA-N 0 1 385.472 1.803 20 0 GDADMN C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573655191 947973917 /nfs/dbraw/zinc/97/39/17/947973917.db2.gz WJTWTXYUEKNGSN-UWVGGRQHSA-N 0 1 382.419 1.313 20 0 GDADMN CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573414615 948095085 /nfs/dbraw/zinc/09/50/85/948095085.db2.gz LAUYCVKEDVWXNU-MRXNPFEDSA-N 0 1 378.440 1.674 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573673801 948114613 /nfs/dbraw/zinc/11/46/13/948114613.db2.gz LHYWQMJHZLYUMK-LSDHHAIUSA-N 0 1 384.488 1.221 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@H](C)c1ccsc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573680659 948183908 /nfs/dbraw/zinc/18/39/08/948183908.db2.gz PCUZUIIZYPRDOO-YPMHNXCESA-N 0 1 386.485 1.497 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573681437 948203253 /nfs/dbraw/zinc/20/32/53/948203253.db2.gz WYBOCPMLHPPKIV-NEPJUHHUSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573681437 948203262 /nfs/dbraw/zinc/20/32/62/948203262.db2.gz WYBOCPMLHPPKIV-NEPJUHHUSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1ccsc1 ZINC001573691698 948246432 /nfs/dbraw/zinc/24/64/32/948246432.db2.gz IEQMVWDPBJTOSL-NSHDSACASA-N 0 1 384.469 1.395 20 0 GDADMN O=C(CN1CC[C@@H](COc2ccccc2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410642 948248059 /nfs/dbraw/zinc/24/80/59/948248059.db2.gz TYHOHLMWRVRNJV-QGZVFWFLSA-N 0 1 392.463 1.884 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)[C@@H]1CCCO1 ZINC001573692647 948269421 /nfs/dbraw/zinc/26/94/21/948269421.db2.gz RMVIVPYGIYPUCM-CJNGLKHVSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)c1cccnc1 ZINC001573693267 948279059 /nfs/dbraw/zinc/27/90/59/948279059.db2.gz VYFQCCGVHYINAI-GFCCVEGCSA-N 0 1 383.481 1.865 20 0 GDADMN C[C@@H](C(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573694264 948291569 /nfs/dbraw/zinc/29/15/69/948291569.db2.gz BYQIYFXGQWGBJS-CWTRNNRKSA-N 0 1 388.447 1.105 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21)C1CC1 ZINC001573695690 948308507 /nfs/dbraw/zinc/30/85/07/948308507.db2.gz IHQVJIVCVOYFMO-GNCDUGFZSA-N 0 1 384.459 1.846 20 0 GDADMN C[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573704770 948382212 /nfs/dbraw/zinc/38/22/12/948382212.db2.gz AJSHAOUSOXHYQA-PCAWENJQSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573704770 948382222 /nfs/dbraw/zinc/38/22/22/948382222.db2.gz AJSHAOUSOXHYQA-PCAWENJQSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573704769 948383046 /nfs/dbraw/zinc/38/30/46/948383046.db2.gz AJSHAOUSOXHYQA-MVZIDQBPSA-N 0 1 386.485 1.227 20 0 GDADMN C[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573704769 948383051 /nfs/dbraw/zinc/38/30/51/948383051.db2.gz AJSHAOUSOXHYQA-MVZIDQBPSA-N 0 1 386.485 1.227 20 0 GDADMN O=C1[C@@H](N2CCC(n3cccn3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476676 948383668 /nfs/dbraw/zinc/38/36/68/948383668.db2.gz MLPDZSFLBBLQKO-SFHVURJKSA-N 0 1 392.467 1.896 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F)C1CC1 ZINC001573705447 948400208 /nfs/dbraw/zinc/40/02/08/948400208.db2.gz FQVGPUDHDCDBIP-JQWIXIFHSA-N 0 1 392.414 1.281 20 0 GDADMN C[C@@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573707571 948435458 /nfs/dbraw/zinc/43/54/58/948435458.db2.gz QDOLCSDNEPVSJS-CQSZACIVSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@@H](C(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1 ZINC001573717964 948513022 /nfs/dbraw/zinc/51/30/22/948513022.db2.gz FXQSWBKJBSGKDQ-CYBMUJFWSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)c1ccco1 ZINC001573719721 948529360 /nfs/dbraw/zinc/52/93/60/948529360.db2.gz OHHYVBOTHWBAKM-MRVPVSSYSA-N 0 1 381.849 1.926 20 0 GDADMN C[C@H]([C@H](C)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573727542 948556237 /nfs/dbraw/zinc/55/62/37/948556237.db2.gz ADHROTUDKBCXLT-CRWXNKLISA-N 0 1 386.504 1.704 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001573731894 948597951 /nfs/dbraw/zinc/59/79/51/948597951.db2.gz JUTKSDCHRKXYRB-QWRGUYRKSA-N 0 1 386.847 1.452 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573741085 948649264 /nfs/dbraw/zinc/64/92/64/948649264.db2.gz XKKUVARKITWFTL-NGFQHRJXSA-N 0 1 391.439 1.081 20 0 GDADMN C[C@H](C(=O)O[C@@H](C)c1cccc(OC(F)F)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573754375 948740930 /nfs/dbraw/zinc/74/09/30/948740930.db2.gz FRVMOMKFMNIQRD-BDAKNGLRSA-N 0 1 379.327 1.925 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574416567 948753864 /nfs/dbraw/zinc/75/38/64/948753864.db2.gz YGBQUNOMILTCEN-UHFFFAOYSA-N 0 1 381.444 1.384 20 0 GDADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001573755407 948762793 /nfs/dbraw/zinc/76/27/93/948762793.db2.gz DGLRCNZRJWRFJQ-UPJWGTAASA-N 0 1 389.891 1.731 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnc[nH]1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574915455 948767139 /nfs/dbraw/zinc/76/71/39/948767139.db2.gz UIHASYOQXHVCGG-JTQLQIEISA-N 0 1 389.851 1.435 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574418197 948777047 /nfs/dbraw/zinc/77/70/47/948777047.db2.gz VETYXHQOAJMPTL-LBPRGKRZSA-N 0 1 379.428 1.184 20 0 GDADMN CC(C)[C@H](F)C(=O)NCCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574080138 948787272 /nfs/dbraw/zinc/78/72/72/948787272.db2.gz ICKNHJZWTWDCQK-INIZCTEOSA-N 0 1 375.452 1.979 20 0 GDADMN C[C@H](CNC(=O)CCc1ccon1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917117 948807406 /nfs/dbraw/zinc/80/74/06/948807406.db2.gz RKSVOPHRINYIFK-LLVKDONJSA-N 0 1 375.458 1.486 20 0 GDADMN C[C@H](CNC(=O)CCc1ccon1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574917117 948807425 /nfs/dbraw/zinc/80/74/25/948807425.db2.gz RKSVOPHRINYIFK-LLVKDONJSA-N 0 1 375.458 1.486 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575225983 948812810 /nfs/dbraw/zinc/81/28/10/948812810.db2.gz HTMFZQHMRXRUDX-XYPYZODXSA-N 0 1 392.414 1.353 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccn(C)n1 ZINC001574684080 948856001 /nfs/dbraw/zinc/85/60/01/948856001.db2.gz BFTNALIOLCHJES-SSDOTTSWSA-N 0 1 381.853 1.331 20 0 GDADMN CC(C)c1cnc(CNC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001574424777 948862330 /nfs/dbraw/zinc/86/23/30/948862330.db2.gz VEIWOHPUHDZWIZ-AULYBMBSSA-N 0 1 384.444 1.604 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573763364 948867401 /nfs/dbraw/zinc/86/74/01/948867401.db2.gz DOCRLCKMESDVTH-NSHDSACASA-N 0 1 379.415 1.625 20 0 GDADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574919362 948873618 /nfs/dbraw/zinc/87/36/18/948873618.db2.gz XNSSAXMSKRRISU-CQSZACIVSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574919362 948873635 /nfs/dbraw/zinc/87/36/35/948873635.db2.gz XNSSAXMSKRRISU-CQSZACIVSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)CCC[NH+](C)C ZINC001574685193 948904804 /nfs/dbraw/zinc/90/48/04/948904804.db2.gz SGKDYUHODGREJN-VIFPVBQESA-N 0 1 386.913 1.625 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)CCC[NH+](C)C ZINC001574685193 948904817 /nfs/dbraw/zinc/90/48/17/948904817.db2.gz SGKDYUHODGREJN-VIFPVBQESA-N 0 1 386.913 1.625 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnn(C)c1 ZINC001574685812 948922451 /nfs/dbraw/zinc/92/24/51/948922451.db2.gz ZXPSLKXFTMQDGA-SSDOTTSWSA-N 0 1 381.853 1.331 20 0 GDADMN CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089373 948957617 /nfs/dbraw/zinc/95/76/17/948957617.db2.gz JPHFAIODFDLSAQ-YJYMSZOUSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573772601 948964440 /nfs/dbraw/zinc/96/44/40/948964440.db2.gz VWMSEZJQPWOEMT-NXEZZACHSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)c1ncsc1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574433884 948966419 /nfs/dbraw/zinc/96/64/19/948966419.db2.gz USYUIMRGFNWOCI-UHFFFAOYSA-N 0 1 384.469 1.638 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575240122 948970963 /nfs/dbraw/zinc/97/09/63/948970963.db2.gz ZQJQWBMJWHNGSY-NSHDSACASA-N 0 1 392.414 1.567 20 0 GDADMN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573773472 948987243 /nfs/dbraw/zinc/98/72/43/948987243.db2.gz CDVYEJQQDGMEAM-LBPRGKRZSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573773472 948987255 /nfs/dbraw/zinc/98/72/55/948987255.db2.gz CDVYEJQQDGMEAM-LBPRGKRZSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573774675 949018703 /nfs/dbraw/zinc/01/87/03/949018703.db2.gz QAHTXTNHMYSXKR-CYBMUJFWSA-N 0 1 392.529 1.711 20 0 GDADMN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573774675 949018723 /nfs/dbraw/zinc/01/87/23/949018723.db2.gz QAHTXTNHMYSXKR-CYBMUJFWSA-N 0 1 392.529 1.711 20 0 GDADMN CC(C)[C@]1(C)C[C@@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091664 949027666 /nfs/dbraw/zinc/02/76/66/949027666.db2.gz PZSJMHNKFODEOD-ACJLOTCBSA-N 0 1 384.488 1.459 20 0 GDADMN CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)CCO1 ZINC001574091748 949030142 /nfs/dbraw/zinc/03/01/42/949030142.db2.gz LQVVJMUAMAQNAA-YOEHRIQHSA-N 0 1 387.488 1.608 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574930068 949105217 /nfs/dbraw/zinc/10/52/17/949105217.db2.gz JCWQAORUFRVVOT-LBPRGKRZSA-N 0 1 376.436 1.559 20 0 GDADMN C[C@H](CNC(=O)COC1CCCCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574931192 949115409 /nfs/dbraw/zinc/11/54/09/949115409.db2.gz OIKMUVFCNPZPBD-CYBMUJFWSA-N 0 1 390.463 1.949 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573786836 949150964 /nfs/dbraw/zinc/15/09/64/949150964.db2.gz FETVKYAERZDTRE-OKILXGFUSA-N 0 1 378.440 1.116 20 0 GDADMN C[C@H](NC(=O)C12CCC(CC1)C2(C)C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575252064 949157124 /nfs/dbraw/zinc/15/71/24/949157124.db2.gz DRGMQEYRIVBPEP-BLLWQLBWSA-N 0 1 384.488 1.600 20 0 GDADMN CC(C)(C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573786966 949158250 /nfs/dbraw/zinc/15/82/50/949158250.db2.gz LGYLKEWKKXFMNK-MQMHXKEQSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](c1cnccn1)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575517217 949227991 /nfs/dbraw/zinc/22/79/91/949227991.db2.gz UTTHAPVTPAGYMZ-OCCSQVGLSA-N 0 1 381.444 1.330 20 0 GDADMN C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575255347 949232149 /nfs/dbraw/zinc/23/21/49/949232149.db2.gz ZGBXFRIHTIQRKO-STQMWFEESA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575255854 949240935 /nfs/dbraw/zinc/24/09/35/949240935.db2.gz RWOFPJASDODVAY-JLTOFOAXSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H](NC(=O)C1=COCCC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575258486 949301696 /nfs/dbraw/zinc/30/16/96/949301696.db2.gz IABMKBGYJZOSJV-SFYZADRCSA-N 0 1 383.865 1.976 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001574457655 949333069 /nfs/dbraw/zinc/33/30/69/949333069.db2.gz MFSUVPKQYJGOFF-INIZCTEOSA-N 0 1 380.456 1.648 20 0 GDADMN CC(C)CC(=O)N1CCO[C@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001574110084 949350430 /nfs/dbraw/zinc/35/04/30/949350430.db2.gz PCXNZPNOVXABDU-SECBINFHSA-N 0 1 385.881 1.662 20 0 GDADMN CC(C)n1ccc(CNC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C2CC2)n1 ZINC001574460169 949371628 /nfs/dbraw/zinc/37/16/28/949371628.db2.gz RJFCXXXVOJMGKB-INIZCTEOSA-N 0 1 383.460 1.270 20 0 GDADMN CC(C)n1ccc(CNC[C@H]2CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574460151 949373636 /nfs/dbraw/zinc/37/36/36/949373636.db2.gz QJCIZQHJSFDQET-OAHLLOKOSA-N 0 1 383.460 1.367 20 0 GDADMN CC(C)n1cccc1C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574463853 949389281 /nfs/dbraw/zinc/38/92/81/949389281.db2.gz DANBTRGBHZUWRG-UHFFFAOYSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573802019 949406906 /nfs/dbraw/zinc/40/69/06/949406906.db2.gz BVVJABYDSPQKKW-OAHLLOKOSA-N 0 1 392.467 1.923 20 0 GDADMN C[C@@H](CNC(=O)Cc1cncs1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574945053 949407123 /nfs/dbraw/zinc/40/71/23/949407123.db2.gz JMSUAQGUAJTUDU-JTQLQIEISA-N 0 1 375.433 1.299 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)c1 ZINC001574464395 949412036 /nfs/dbraw/zinc/41/20/36/949412036.db2.gz NQHLPBGDPSEAMM-OAHLLOKOSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H]1CCC[C@H](C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576155818 949417541 /nfs/dbraw/zinc/41/75/41/949417541.db2.gz VGJJAOJEAHCEMO-ZFWWWQNUSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574705581 949428938 /nfs/dbraw/zinc/42/89/38/949428938.db2.gz ISGVKPBYQNDQDZ-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705581 949428984 /nfs/dbraw/zinc/42/89/84/949428984.db2.gz ISGVKPBYQNDQDZ-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705581 949428994 /nfs/dbraw/zinc/42/89/94/949428994.db2.gz ISGVKPBYQNDQDZ-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575265252 949443547 /nfs/dbraw/zinc/44/35/47/949443547.db2.gz SNSUDYNHBCGHNI-OLZOCXBDSA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575265252 949443557 /nfs/dbraw/zinc/44/35/57/949443557.db2.gz SNSUDYNHBCGHNI-OLZOCXBDSA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@@H](C)CNCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001574468906 949470299 /nfs/dbraw/zinc/47/02/99/949470299.db2.gz UXVOLQTZLYNIPG-LBPRGKRZSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNCc1ccon1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576157542 949487627 /nfs/dbraw/zinc/48/76/27/949487627.db2.gz RHNSVZTUCOOFGU-SGTLLEGYSA-N 0 1 384.444 1.651 20 0 GDADMN C[C@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575870615 949488954 /nfs/dbraw/zinc/48/89/54/949488954.db2.gz VVBYHINPJHVOHA-WDEREUQCSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCc2cccnc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574709409 949507052 /nfs/dbraw/zinc/50/70/52/949507052.db2.gz ZGTMSVTXHMJJLN-UKRRQHHQSA-N 0 1 392.467 1.458 20 0 GDADMN CC1(C(=O)N2CCC[C@@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)CCCC1 ZINC001575538126 949514552 /nfs/dbraw/zinc/51/45/52/949514552.db2.gz CNXMSZNCLANWHY-LJQANCHMSA-N 0 1 385.472 1.029 20 0 GDADMN C[C@H](CC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574471888 949544009 /nfs/dbraw/zinc/54/40/09/949544009.db2.gz OPRNPIQDEUTGAK-WLYUNCDWSA-N 0 1 380.456 1.538 20 0 GDADMN C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574472693 949558919 /nfs/dbraw/zinc/55/89/19/949558919.db2.gz VPVWRTCZIMMVQL-JEYLPNPQSA-N 0 1 392.467 1.674 20 0 GDADMN C[C@H](NC(=O)CC1(c2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270229 949582899 /nfs/dbraw/zinc/58/28/99/949582899.db2.gz YWFPFDDYSUMKBI-KBPBESRZSA-N 0 1 392.467 1.506 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574956681 949585531 /nfs/dbraw/zinc/58/55/31/949585531.db2.gz LTEMSLYNSBEVAR-CXMBCZLWSA-N 0 1 388.447 1.415 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ncc[nH]1 ZINC001573812048 949614199 /nfs/dbraw/zinc/61/41/99/949614199.db2.gz PTKDJHJHLWUXPW-CYBMUJFWSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ncc[nH]1 ZINC001573812048 949614211 /nfs/dbraw/zinc/61/42/11/949614211.db2.gz PTKDJHJHLWUXPW-CYBMUJFWSA-N 0 1 388.501 1.515 20 0 GDADMN C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574476882 949625269 /nfs/dbraw/zinc/62/52/69/949625269.db2.gz LJGIMZYNFKSEAP-HNNXBMFYSA-N 0 1 382.472 1.605 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957875 949637347 /nfs/dbraw/zinc/63/73/47/949637347.db2.gz BOWCAXDKZUCEKP-DDTOSNHZSA-N 0 1 386.485 1.060 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574957875 949637358 /nfs/dbraw/zinc/63/73/58/949637358.db2.gz BOWCAXDKZUCEKP-DDTOSNHZSA-N 0 1 386.485 1.060 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715472 949653118 /nfs/dbraw/zinc/65/31/18/949653118.db2.gz CYLRTRDKYLGLAX-ZFWWWQNUSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1 ZINC001574477616 949663957 /nfs/dbraw/zinc/66/39/57/949663957.db2.gz SOVYYERWXMHHQY-MAUKXSAKSA-N 0 1 386.500 1.962 20 0 GDADMN C[C@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575877462 949666600 /nfs/dbraw/zinc/66/66/00/949666600.db2.gz ZUTAFIXJFHDINS-BLLLJJGKSA-N 0 1 390.463 1.636 20 0 GDADMN CC(C)CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001574131834 949669768 /nfs/dbraw/zinc/66/97/68/949669768.db2.gz LVIMNFYYZVXEFO-IAGOWNOFSA-N 0 1 386.500 1.600 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(CCF)CC1 ZINC001573817350 949702448 /nfs/dbraw/zinc/70/24/48/949702448.db2.gz ZUZAYABSBPOEST-NSHDSACASA-N 0 1 376.440 1.161 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574960273 949723283 /nfs/dbraw/zinc/72/32/83/949723283.db2.gz WBBZCLDIMFBGMN-KGYLQXTDSA-N 0 1 384.469 1.108 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573818295 949727946 /nfs/dbraw/zinc/72/79/46/949727946.db2.gz KBJKGXFRYLLPKX-AWEZNQCLSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@H]1CCCC[C@@H]1CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576170594 949729940 /nfs/dbraw/zinc/72/99/40/949729940.db2.gz MCWMUKMAXMEJSJ-BYNSBNAKSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576170738 949732067 /nfs/dbraw/zinc/73/20/67/949732067.db2.gz NVBPFVKUTXVNQU-CZUORRHYSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@]1(C(=O)N2C[C@H]3CCN(Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)CCOC1 ZINC001575558776 949741849 /nfs/dbraw/zinc/74/18/49/949741849.db2.gz RVVQSYLQYLAWQL-RVZJWNSFSA-N 0 1 388.497 1.388 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574137881 949771201 /nfs/dbraw/zinc/77/12/01/949771201.db2.gz YOYRBQQRZDRFGT-CABCVRRESA-N 0 1 387.488 1.395 20 0 GDADMN C[C@H](CN(C)C(=O)CC1OCCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718571 949785953 /nfs/dbraw/zinc/78/59/53/949785953.db2.gz ZIOGVUUFSZNHJL-LLVKDONJSA-N 0 1 380.474 1.018 20 0 GDADMN C[C@H](CN(C)C(=O)CC1OCCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718571 949785966 /nfs/dbraw/zinc/78/59/66/949785966.db2.gz ZIOGVUUFSZNHJL-LLVKDONJSA-N 0 1 380.474 1.018 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172076 949791823 /nfs/dbraw/zinc/79/18/23/949791823.db2.gz UOKLIXOPBBYEMI-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172076 949791850 /nfs/dbraw/zinc/79/18/50/949791850.db2.gz UOKLIXOPBBYEMI-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)C[C@@H](C)CN1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574139278 949810797 /nfs/dbraw/zinc/81/07/97/949810797.db2.gz JFOBBYVYSOVIRF-KGLIPLIRSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1ccncc1-c1nn[nH]n1 ZINC001574965799 949819262 /nfs/dbraw/zinc/81/92/62/949819262.db2.gz LZAXKBUUSFUBFD-VIFPVBQESA-N 0 1 391.357 1.579 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575282238 949826015 /nfs/dbraw/zinc/82/60/15/949826015.db2.gz JJGFGGVOGGCHAM-CHWSQXEVSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574484196 949867069 /nfs/dbraw/zinc/86/70/69/949867069.db2.gz FGCMCRWGMYHXIT-GJZGRUSLSA-N 0 1 380.456 1.539 20 0 GDADMN CC(C)(C)C1CC(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)C1 ZINC001573825396 949878348 /nfs/dbraw/zinc/87/83/48/949878348.db2.gz UMKNUERJXOTTDV-JXQTWKCFSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1cnccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725286 949898724 /nfs/dbraw/zinc/89/87/24/949898724.db2.gz RFNHNLUSHXTRCW-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1cnccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725286 949898740 /nfs/dbraw/zinc/89/87/40/949898740.db2.gz RFNHNLUSHXTRCW-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725910 949914657 /nfs/dbraw/zinc/91/46/57/949914657.db2.gz VSDVNTBDDATHKM-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725910 949914677 /nfs/dbraw/zinc/91/46/77/949914677.db2.gz VSDVNTBDDATHKM-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN CC(C)(C)/C=C\C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573827192 949915139 /nfs/dbraw/zinc/91/51/39/949915139.db2.gz KRFFQENIPMJDSP-YHAOYDPOSA-N 0 1 384.488 1.864 20 0 GDADMN C[C@@H](NC(=O)CN1CCc2ccccc21)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575284843 949923351 /nfs/dbraw/zinc/92/33/51/949923351.db2.gz KLIOIKRHGBXKLT-ZIAGYGMSSA-N 0 1 392.467 1.051 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cncs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574728450 949983786 /nfs/dbraw/zinc/98/37/86/949983786.db2.gz AECIEYBTJLKHBL-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)n1cccc1 ZINC001574490430 949998999 /nfs/dbraw/zinc/99/89/99/949998999.db2.gz RMKOYJQOAWYKDI-OAGGEKHMSA-N 0 1 392.467 1.609 20 0 GDADMN CC(C)(C)CC(=O)N1CCO[C@@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573831445 950002993 /nfs/dbraw/zinc/00/29/93/950002993.db2.gz YMXWPDFUPGMNLZ-HNNXBMFYSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574490774 950017881 /nfs/dbraw/zinc/01/78/81/950017881.db2.gz YPXHGOJVSWQWGW-KBMXLJTQSA-N 0 1 390.451 1.640 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891661 950022401 /nfs/dbraw/zinc/02/24/01/950022401.db2.gz MKGTTWMXOOCGIV-SMDDNHRTSA-N 0 1 382.403 1.583 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891874 950039891 /nfs/dbraw/zinc/03/98/91/950039891.db2.gz ORVMYONGJADNEV-FZMZJTMJSA-N 0 1 382.403 1.583 20 0 GDADMN CC(C)C[C@@H](CN[C@@H](C)c1cnccn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574150847 950042732 /nfs/dbraw/zinc/04/27/32/950042732.db2.gz FJYVZGNRFUHHID-JSGCOSHPSA-N 0 1 383.460 1.480 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CCc1ccns1 ZINC001575892236 950056980 /nfs/dbraw/zinc/05/69/80/950056980.db2.gz USWGOTROKPHBCL-AAEUAGOBSA-N 0 1 386.485 1.477 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CCc1ccns1 ZINC001575892238 950057533 /nfs/dbraw/zinc/05/75/33/950057533.db2.gz USWGOTROKPHBCL-WCQYABFASA-N 0 1 386.485 1.477 20 0 GDADMN C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574492004 950057996 /nfs/dbraw/zinc/05/79/96/950057996.db2.gz IEHCOBVRRGDMFP-SGTLLEGYSA-N 0 1 382.428 1.529 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC(C)(C)O ZINC001574151408 950077156 /nfs/dbraw/zinc/07/71/56/950077156.db2.gz QSLFWSXXXOYFHB-GFCCVEGCSA-N 0 1 380.518 1.710 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC(C)(C)O ZINC001574151408 950077173 /nfs/dbraw/zinc/07/71/73/950077173.db2.gz QSLFWSXXXOYFHB-GFCCVEGCSA-N 0 1 380.518 1.710 20 0 GDADMN CC(C)(C)CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573836256 950079420 /nfs/dbraw/zinc/07/94/20/950079420.db2.gz IGYRKNDHMNHTMM-QGZVFWFLSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)(C)CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573836256 950079440 /nfs/dbraw/zinc/07/94/40/950079440.db2.gz IGYRKNDHMNHTMM-QGZVFWFLSA-N 0 1 378.502 1.417 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ncc[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574732989 950088003 /nfs/dbraw/zinc/08/80/03/950088003.db2.gz ORBNZUQPVFICEQ-ZETCQYMHSA-N 0 1 381.853 1.201 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183444 950093425 /nfs/dbraw/zinc/09/34/25/950093425.db2.gz SARYGDUFCMLEEM-DYVFJYSZSA-N 0 1 378.440 1.431 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cncn2C)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896126 950123951 /nfs/dbraw/zinc/12/39/51/950123951.db2.gz KHIBQVVNXYSGLD-BBRMVZONSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001574493949 950147784 /nfs/dbraw/zinc/14/77/84/950147784.db2.gz VPDJWBJGRKRJHH-AWEZNQCLSA-N 0 1 380.456 1.800 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575898762 950155615 /nfs/dbraw/zinc/15/56/15/950155615.db2.gz UFDZQVXIAWOJRM-CZUORRHYSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@]1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCCC2)CCCOC1 ZINC001575584194 950166050 /nfs/dbraw/zinc/16/60/50/950166050.db2.gz WRHOKNGLCORVDS-SFHVURJKSA-N 0 1 385.472 1.341 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574494587 950168285 /nfs/dbraw/zinc/16/82/85/950168285.db2.gz LQKGPVDVIJFHOQ-TVQRCGJNSA-N 0 1 383.378 1.579 20 0 GDADMN CC(C)(C)CC[C@@H](CO)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001573843256 950170986 /nfs/dbraw/zinc/17/09/86/950170986.db2.gz TWMBBMMJZKFNNT-JTQLQIEISA-N 0 1 389.428 1.610 20 0 GDADMN C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585239 950190304 /nfs/dbraw/zinc/19/03/04/950190304.db2.gz XXNCFISQNIHDFV-VCMHEYGDSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585239 950190313 /nfs/dbraw/zinc/19/03/13/950190313.db2.gz XXNCFISQNIHDFV-VCMHEYGDSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191808 950212668 /nfs/dbraw/zinc/21/26/68/950212668.db2.gz ILSRDKSQBACAKD-HIFRSBDPSA-N 0 1 378.440 1.289 20 0 GDADMN CC(C)(C)CCC[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844977 950214186 /nfs/dbraw/zinc/21/41/86/950214186.db2.gz PSHLMAYECJKGJF-IBGZPJMESA-N 0 1 389.504 1.578 20 0 GDADMN C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576192012 950216596 /nfs/dbraw/zinc/21/65/96/950216596.db2.gz JJEZXJCOCKBVMQ-STQMWFEESA-N 0 1 375.452 1.606 20 0 GDADMN C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576192012 950216609 /nfs/dbraw/zinc/21/66/09/950216609.db2.gz JJEZXJCOCKBVMQ-STQMWFEESA-N 0 1 375.452 1.606 20 0 GDADMN C[C@H]1[C@@H](NCc2cc(C3CC3)no2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575901198 950225521 /nfs/dbraw/zinc/22/55/21/950225521.db2.gz MCVALCGEGQPQKA-GWCFXTLKSA-N 0 1 382.428 1.453 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574157524 950241927 /nfs/dbraw/zinc/24/19/27/950241927.db2.gz CGXYWBMOLSOZAU-GJZGRUSLSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573847070 950261436 /nfs/dbraw/zinc/26/14/36/950261436.db2.gz ZDGMGNRYZZBRII-MELADBBJSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(F)CCOCC1 ZINC001574159619 950311913 /nfs/dbraw/zinc/31/19/13/950311913.db2.gz WTIHTSCEFWPWPH-CYBMUJFWSA-N 0 1 391.451 1.145 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 ZINC001574501517 950337281 /nfs/dbraw/zinc/33/72/81/950337281.db2.gz FFIYPDDSNIOPJQ-KSSFIOAISA-N 0 1 384.484 1.620 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573855243 950364548 /nfs/dbraw/zinc/36/45/48/950364548.db2.gz MVPGARSTNCKUEY-XDQVBPFNSA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001574503050 950400879 /nfs/dbraw/zinc/40/08/79/950400879.db2.gz SPRMTUKXMJKYIO-RHSMWYFYSA-N 0 1 380.456 1.405 20 0 GDADMN CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001589721415 950429425 /nfs/dbraw/zinc/42/94/25/950429425.db2.gz UOGPCPCDNTWLBP-UHFFFAOYSA-N 0 1 377.445 1.188 20 0 GDADMN CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001589721415 950429436 /nfs/dbraw/zinc/42/94/36/950429436.db2.gz UOGPCPCDNTWLBP-UHFFFAOYSA-N 0 1 377.445 1.188 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576202577 950430812 /nfs/dbraw/zinc/43/08/12/950430812.db2.gz BIKLLGZBRWFYCQ-RDBSUJKOSA-N 0 1 387.513 1.055 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576202577 950430838 /nfs/dbraw/zinc/43/08/38/950430838.db2.gz BIKLLGZBRWFYCQ-RDBSUJKOSA-N 0 1 387.513 1.055 20 0 GDADMN CC1(C(=O)NCc2ccc3c(c2)CN(c2ccnc(-c4nn[nH]n4)n2)C3)CCC1 ZINC001575600045 950438494 /nfs/dbraw/zinc/43/84/94/950438494.db2.gz PBIIKJNMYFIXBF-UHFFFAOYSA-N 0 1 390.451 1.983 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N[C@H](C)c1ccc(F)cc1F ZINC001574993583 950463263 /nfs/dbraw/zinc/46/32/63/950463263.db2.gz LIMULOLFVOFZLO-NXEZZACHSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@H](CC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574508672 950482334 /nfs/dbraw/zinc/48/23/34/950482334.db2.gz LSQDVWSZEADMQX-KGLIPLIRSA-N 0 1 380.456 1.579 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573867174 950524089 /nfs/dbraw/zinc/52/40/89/950524089.db2.gz RWAIOLLSKZXRJR-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)OCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573867174 950524104 /nfs/dbraw/zinc/52/41/04/950524104.db2.gz RWAIOLLSKZXRJR-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN CC1CCN(CC(=O)NC[C@H]2CCCN2c2ncccc2-c2nn[nH]n2)CC1 ZINC001576205735 950534781 /nfs/dbraw/zinc/53/47/81/950534781.db2.gz NWBRFNPWQWSVOJ-OAHLLOKOSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@@H](NC(=O)C[C@H](C)C1CC1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574511062 950552047 /nfs/dbraw/zinc/55/20/47/950552047.db2.gz FMDRIPHFXMRDGY-QWHCGFSZSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)ccc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574998882 950563022 /nfs/dbraw/zinc/56/30/22/950563022.db2.gz BXUTUQFZCKRWMF-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN C[C@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575000061 950595520 /nfs/dbraw/zinc/59/55/20/950595520.db2.gz ADEYIYQWBMZDCD-SNVBAGLBSA-N 0 1 384.469 1.462 20 0 GDADMN CC1CCN(CC(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576208242 950605112 /nfs/dbraw/zinc/60/51/12/950605112.db2.gz NTOOWXRDWPMXNN-KOMQPUFPSA-N 0 1 384.488 1.300 20 0 GDADMN CC(C)CCC(=O)N[C@@]1(CO)CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574173903 950606167 /nfs/dbraw/zinc/60/61/67/950606167.db2.gz ARKFFNOYDIPDLM-FQEVSTJZSA-N 0 1 386.500 1.746 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccccc1O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574759135 950630113 /nfs/dbraw/zinc/63/01/13/950630113.db2.gz KXPIPODXCQZROY-LBPRGKRZSA-N 0 1 384.415 1.962 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574515698 950634198 /nfs/dbraw/zinc/63/41/98/950634198.db2.gz DYUVGNIZCYMWBQ-GMTAPVOTSA-N 0 1 383.378 1.579 20 0 GDADMN CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCCC(=O)[O-])CC1 ZINC001589744287 950645287 /nfs/dbraw/zinc/64/52/87/950645287.db2.gz NTSOZGVOOLHYTC-QGZVFWFLSA-N 0 1 375.469 1.133 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001575922136 950647328 /nfs/dbraw/zinc/64/73/28/950647328.db2.gz OUFRFVYSZUCTCI-OLZOCXBDSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1ccsc1 ZINC001575923528 950663801 /nfs/dbraw/zinc/66/38/01/950663801.db2.gz BTGBIUHHLFJZGG-FZMZJTMJSA-N 0 1 385.453 1.225 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575926315 950704224 /nfs/dbraw/zinc/70/42/24/950704224.db2.gz JFUCNNGMXPIBOL-BXUZGUMPSA-N 0 1 378.440 1.216 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575926316 950707279 /nfs/dbraw/zinc/70/72/79/950707279.db2.gz JFUCNNGMXPIBOL-FZMZJTMJSA-N 0 1 378.440 1.216 20 0 GDADMN CC1(C)CC(C(=O)NC2CC3(C2)CC(Nc2ccncc2-c2nn[nH]n2)C3)C1 ZINC001575628747 950723629 /nfs/dbraw/zinc/72/36/29/950723629.db2.gz FZWCMNADLGEYEM-UHFFFAOYSA-N 0 1 381.484 1.959 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575926958 950726489 /nfs/dbraw/zinc/72/64/89/950726489.db2.gz MZKWFWYILQEXEJ-MLGOLLRUSA-N 0 1 381.415 1.467 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cncc(F)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574763768 950731322 /nfs/dbraw/zinc/73/13/22/950731322.db2.gz KIKCEWCURVSTTA-NSHDSACASA-N 0 1 387.394 1.790 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576216600 950737497 /nfs/dbraw/zinc/73/74/97/950737497.db2.gz DUNBUOYATRTIGO-VXGBXAGGSA-N 0 1 391.426 1.625 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001575631195 950770881 /nfs/dbraw/zinc/77/08/81/950770881.db2.gz LEDHWTONFQOODA-MQMHXKEQSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncccc1[O-])[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574764992 950770854 /nfs/dbraw/zinc/77/08/54/950770854.db2.gz BGQPIJOXQVBRBJ-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COC1CCCCC1 ZINC001575928096 950772106 /nfs/dbraw/zinc/77/21/06/950772106.db2.gz YMYVEGFTDXMERQ-XJKSGUPXSA-N 0 1 385.472 1.434 20 0 GDADMN CC(C)CCC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O ZINC001574184978 950787043 /nfs/dbraw/zinc/78/70/43/950787043.db2.gz QDZRVEBMHNLTQC-RKDXNWHRSA-N 0 1 385.881 1.079 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cnccn1 ZINC001575930156 950792336 /nfs/dbraw/zinc/79/23/36/950792336.db2.gz DTGUVDWTTYVBQP-HTQZYQBOSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576218789 950795543 /nfs/dbraw/zinc/79/55/43/950795543.db2.gz RPABEUZJPWQUKY-NXEZZACHSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCN1C(=O)c1ccn[nH]1 ZINC001575935546 950883629 /nfs/dbraw/zinc/88/36/29/950883629.db2.gz XWBIXBPFCBJIFC-BQBZGAKWSA-N 0 1 379.837 1.415 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cscn1 ZINC001574774038 950998494 /nfs/dbraw/zinc/99/84/94/950998494.db2.gz BJLCECGJQXZTBT-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575023757 951083525 /nfs/dbraw/zinc/08/35/25/951083525.db2.gz PGEUCDHMDZBFTN-QMMMGPOBSA-N 0 1 392.345 1.386 20 0 GDADMN C[C@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575024327 951097936 /nfs/dbraw/zinc/09/79/36/951097936.db2.gz AXUGBJUKFNNPLB-LLVKDONJSA-N 0 1 386.485 1.297 20 0 GDADMN C[C@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575024327 951097952 /nfs/dbraw/zinc/09/79/52/951097952.db2.gz AXUGBJUKFNNPLB-LLVKDONJSA-N 0 1 386.485 1.297 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](CCO)CC2CC2)c(C(=O)[O-])c1C ZINC001591425943 951136310 /nfs/dbraw/zinc/13/63/10/951136310.db2.gz KKUCNPYRINHUII-UHFFFAOYSA-N 0 1 384.454 1.574 20 0 GDADMN O=C([O-])c1cc(S(=O)(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c[nH]1 ZINC000380826666 971719824 /nfs/dbraw/zinc/71/98/24/971719824.db2.gz RENVZEXZGLGNGX-CVEARBPZSA-N 0 1 389.477 1.856 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)c(C(=O)[O-])c1C ZINC001591467179 951152406 /nfs/dbraw/zinc/15/24/06/951152406.db2.gz WOTRRDJPIRVGBD-MWLCHTKSSA-N 0 1 384.454 1.573 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)c(C(=O)[O-])c1C ZINC001591467179 951152414 /nfs/dbraw/zinc/15/24/14/951152414.db2.gz WOTRRDJPIRVGBD-MWLCHTKSSA-N 0 1 384.454 1.573 20 0 GDADMN C[C@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575028616 951177949 /nfs/dbraw/zinc/17/79/49/951177949.db2.gz OSXSTOKTLDCCON-SECBINFHSA-N 0 1 390.810 1.704 20 0 GDADMN CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)cc1 ZINC001592691558 951350584 /nfs/dbraw/zinc/35/05/84/951350584.db2.gz MFMIGTOULOPTOK-WGAFOPHPSA-N 0 1 390.436 1.610 20 0 GDADMN C[C@@H](CNC(=O)c1cn2c(n1)CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575043734 951402784 /nfs/dbraw/zinc/40/27/84/951402784.db2.gz MOIFBHORASFZDB-NSHDSACASA-N 0 1 384.419 1.057 20 0 GDADMN C[C@@H](CNC(=O)c1cnc2ccccc2c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575045134 951425888 /nfs/dbraw/zinc/42/58/88/951425888.db2.gz ZXAXFVFWXIAIQH-CYBMUJFWSA-N 0 1 388.435 1.710 20 0 GDADMN C[C@@H](CNC(=O)c1cnccn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575045777 951432748 /nfs/dbraw/zinc/43/27/48/951432748.db2.gz HLBFHPPMOMUWKQ-ZETCQYMHSA-N 0 1 379.837 1.021 20 0 GDADMN C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575047216 951453983 /nfs/dbraw/zinc/45/39/83/951453983.db2.gz ZPHJNVIUBXUXAF-NSHDSACASA-N 0 1 379.428 1.184 20 0 GDADMN C[C@@H](CNC(=O)c1csc(=O)[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575055799 951511663 /nfs/dbraw/zinc/51/16/63/951511663.db2.gz AEJLKTSTTFLPEU-QMMMGPOBSA-N 0 1 377.405 1.076 20 0 GDADMN C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575060773 951547485 /nfs/dbraw/zinc/54/74/85/951547485.db2.gz GISUKMFKFXSPLC-QMMMGPOBSA-N 0 1 378.849 1.626 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067559 951615638 /nfs/dbraw/zinc/61/56/38/951615638.db2.gz VGVLPKOBACAQAR-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067559 951615640 /nfs/dbraw/zinc/61/56/40/951615640.db2.gz VGVLPKOBACAQAR-SNVBAGLBSA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067558 951616025 /nfs/dbraw/zinc/61/60/25/951616025.db2.gz VGVLPKOBACAQAR-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067558 951616031 /nfs/dbraw/zinc/61/60/31/951616031.db2.gz VGVLPKOBACAQAR-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN C[C@H](CNC(=O)c1nn(C)cc1Cl)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575067732 951621873 /nfs/dbraw/zinc/62/18/73/951621873.db2.gz XFYOXYFICGMBQJ-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN C[C@@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067798 951623804 /nfs/dbraw/zinc/62/38/04/951623804.db2.gz ZHOFIKSHBVNORC-JTQLQIEISA-N 0 1 387.469 1.703 20 0 GDADMN C[C@@H](CNC(=O)c1noc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067798 951623808 /nfs/dbraw/zinc/62/38/08/951623808.db2.gz ZHOFIKSHBVNORC-JTQLQIEISA-N 0 1 387.469 1.703 20 0 GDADMN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ncccc1[O-] ZINC001575079832 951697256 /nfs/dbraw/zinc/69/72/56/951697256.db2.gz GYTYTDCOZOQQJK-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1CCOCC1 ZINC001575089140 951746257 /nfs/dbraw/zinc/74/62/57/951746257.db2.gz DWPKZKQDQQGMDU-ZDUSSCGKSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575090142 951757001 /nfs/dbraw/zinc/75/70/01/951757001.db2.gz JQWAHZBMLJBPDQ-GUYCJALGSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575090142 951757009 /nfs/dbraw/zinc/75/70/09/951757009.db2.gz JQWAHZBMLJBPDQ-GUYCJALGSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C1(C(F)F)CC1 ZINC001575090926 951764763 /nfs/dbraw/zinc/76/47/63/951764763.db2.gz OCBCDGZRFAHRPZ-SNVBAGLBSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575091784 951783510 /nfs/dbraw/zinc/78/35/10/951783510.db2.gz YCHJQUYXBNYFMT-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1ccnc1 ZINC001575098102 951818977 /nfs/dbraw/zinc/81/89/77/951818977.db2.gz ARIYCMRKTCZFNR-CHWSQXEVSA-N 0 1 388.501 1.618 20 0 GDADMN C[C@@H](CNC(=O)c1ocnc1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099052 951829229 /nfs/dbraw/zinc/82/92/29/951829229.db2.gz HWYLLBYZFYUBOG-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@@H](CNC(=O)c1ocnc1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099052 951829236 /nfs/dbraw/zinc/82/92/36/951829236.db2.gz HWYLLBYZFYUBOG-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099266 951830780 /nfs/dbraw/zinc/83/07/80/951830780.db2.gz JMHVIBXQNSAUJC-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099266 951830789 /nfs/dbraw/zinc/83/07/89/951830789.db2.gz JMHVIBXQNSAUJC-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100928 951850672 /nfs/dbraw/zinc/85/06/72/951850672.db2.gz WXEHCASITQHTCK-CYBMUJFWSA-N 0 1 392.529 1.977 20 0 GDADMN C[C@@H](CNC(=O)CCC1CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100928 951850676 /nfs/dbraw/zinc/85/06/76/951850676.db2.gz WXEHCASITQHTCK-CYBMUJFWSA-N 0 1 392.529 1.977 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccccn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100999 951851836 /nfs/dbraw/zinc/85/18/36/951851836.db2.gz XMKNRICUDDJCRK-CYBMUJFWSA-N 0 1 385.497 1.798 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccccn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100999 951851839 /nfs/dbraw/zinc/85/18/39/951851839.db2.gz XMKNRICUDDJCRK-CYBMUJFWSA-N 0 1 385.497 1.798 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)COC1CCCC1 ZINC001575101123 951854548 /nfs/dbraw/zinc/85/45/48/951854548.db2.gz ZVCAUYXSOGIYAZ-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)COC1CCCC1 ZINC001575101123 951854559 /nfs/dbraw/zinc/85/45/59/951854559.db2.gz ZVCAUYXSOGIYAZ-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccnc(F)c1 ZINC001575101529 951861526 /nfs/dbraw/zinc/86/15/26/951861526.db2.gz GNDOFHPUZZMSGR-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccnc(F)c1 ZINC001575101529 951861532 /nfs/dbraw/zinc/86/15/32/951861532.db2.gz GNDOFHPUZZMSGR-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ncccc1F ZINC001575101533 951861795 /nfs/dbraw/zinc/86/17/95/951861795.db2.gz GTOKNTIGTOZFJY-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ncccc1F ZINC001575101533 951861804 /nfs/dbraw/zinc/86/18/04/951861804.db2.gz GTOKNTIGTOZFJY-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575103456 951876237 /nfs/dbraw/zinc/87/62/37/951876237.db2.gz UNNVSMVSCOZIOT-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001575103456 951876244 /nfs/dbraw/zinc/87/62/44/951876244.db2.gz UNNVSMVSCOZIOT-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN CC(C)c1nnc(CNC[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)s1 ZINC001575118151 951983574 /nfs/dbraw/zinc/98/35/74/951983574.db2.gz QKRZWPYTQPELOE-JTQLQIEISA-N 0 1 389.489 1.325 20 0 GDADMN C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575137046 952132909 /nfs/dbraw/zinc/13/29/09/952132909.db2.gz SIPLPQSUUMSCIO-ZDUSSCGKSA-N 0 1 387.463 1.893 20 0 GDADMN C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575137045 952133212 /nfs/dbraw/zinc/13/32/12/952133212.db2.gz SIPLPQSUUMSCIO-CYBMUJFWSA-N 0 1 387.463 1.893 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575142083 952145134 /nfs/dbraw/zinc/14/51/34/952145134.db2.gz IJFHEJFTPLOZHH-CQSZACIVSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C12CCC(CC1)C2(C)C ZINC001575141568 952145676 /nfs/dbraw/zinc/14/56/76/952145676.db2.gz IEPUIJSEZCNQOA-GLIABKTBSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575142106 952146445 /nfs/dbraw/zinc/14/64/45/952146445.db2.gz IVLPCYHUJDXQOG-ZDUSSCGKSA-N 0 1 380.456 1.315 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(F)c(F)cc1F ZINC001575146442 952194579 /nfs/dbraw/zinc/19/45/79/952194579.db2.gz LCYWPMPVVOBMOI-SECBINFHSA-N 0 1 391.357 1.674 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575147124 952198746 /nfs/dbraw/zinc/19/87/46/952198746.db2.gz QRGBLEJMEPRHFG-GFCCVEGCSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCCc1cccnc1 ZINC001575147122 952199139 /nfs/dbraw/zinc/19/91/39/952199139.db2.gz QOHNESHEGINQCK-AWEZNQCLSA-N 0 1 380.456 1.360 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1cn(-c3ccccc3Br)nn1)C2 ZINC001595192602 952291844 /nfs/dbraw/zinc/29/18/44/952291844.db2.gz RVHPQMXMAIPWDI-ZBEGNZNMSA-N 0 1 393.241 1.563 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)COCC1CC1 ZINC001575164506 952293516 /nfs/dbraw/zinc/29/35/16/952293516.db2.gz DZNIYNNKBZRJRZ-QMMMGPOBSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@](CNc1ncccc1-c1nn[nH]n1)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC001575165713 952314347 /nfs/dbraw/zinc/31/43/47/952314347.db2.gz VFTIDEYVJCRHPC-LPMFXHHGSA-N 0 1 393.455 1.485 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575166301 952324054 /nfs/dbraw/zinc/32/40/54/952324054.db2.gz VCAZTEFFDXGXCY-DTWKUNHWSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001575187170 952438054 /nfs/dbraw/zinc/43/80/54/952438054.db2.gz ADFPAPSDELEBTK-CHWSQXEVSA-N 0 1 383.431 1.618 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001575196817 952476993 /nfs/dbraw/zinc/47/69/93/952476993.db2.gz JKNYDQGDVDAHKV-LBPRGKRZSA-N 0 1 382.428 1.001 20 0 GDADMN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571117546 952483538 /nfs/dbraw/zinc/48/35/38/952483538.db2.gz MXBHLEJMGYZBKT-DFBGVHRSSA-N 0 1 375.452 1.605 20 0 GDADMN Cc1cc(NCC[C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571117801 952484567 /nfs/dbraw/zinc/48/45/67/952484567.db2.gz QVEXLNHHTROVGO-DGCLKSJQSA-N 0 1 375.452 1.637 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571118367 952488516 /nfs/dbraw/zinc/48/85/16/952488516.db2.gz WFEPICSECFBGLU-FPCVCCKLSA-N 0 1 375.436 1.546 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[nH]n2)cn1 ZINC001575199318 952489681 /nfs/dbraw/zinc/48/96/81/952489681.db2.gz CEKYCEBVEALUKD-SRMUXQRQSA-N 0 1 393.455 1.090 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CC(Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200220 952492587 /nfs/dbraw/zinc/49/25/87/952492587.db2.gz APQODSAWRZJDQC-NUYPLMSZSA-N 0 1 381.444 1.265 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001575200650 952496700 /nfs/dbraw/zinc/49/67/00/952496700.db2.gz DWGZHJVNHJMHRR-IUODEOHRSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](Nc1ncccc1-c1nn[nH]n1)C1CC1 ZINC001575201118 952501017 /nfs/dbraw/zinc/50/10/17/952501017.db2.gz NLSIRTFAQIVUEL-IAQYHMDHSA-N 0 1 381.444 1.170 20 0 GDADMN O=C([C@H]1C[C@@H]1C(F)F)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571124470 952539027 /nfs/dbraw/zinc/53/90/27/952539027.db2.gz JTIJLAAUNZCWAQ-WOPDTQHZSA-N 0 1 377.399 1.378 20 0 GDADMN CC(F)(F)C(=O)NC[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575210726 952540764 /nfs/dbraw/zinc/54/07/64/952540764.db2.gz HIDNCRHJEYDGKE-LLVKDONJSA-N 0 1 382.390 1.989 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571124682 952542660 /nfs/dbraw/zinc/54/26/60/952542660.db2.gz RBZWMMSZRAHPNV-ZWNOBZJWSA-N 0 1 377.399 1.378 20 0 GDADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C1CCC(F)(F)CC1 ZINC001571124690 952542972 /nfs/dbraw/zinc/54/29/72/952542972.db2.gz REXUAKPILMEYOO-TXEJJXNPSA-N 0 1 377.399 1.568 20 0 GDADMN Cc1cccnc1C(=O)N[C@@H](C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571127607 952558406 /nfs/dbraw/zinc/55/84/06/952558406.db2.gz JSBBXKICRDLNRX-AWEZNQCLSA-N 0 1 377.452 1.820 20 0 GDADMN Cc1cccnc1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571128379 952566118 /nfs/dbraw/zinc/56/61/18/952566118.db2.gz RWMKHUWLTDBNSO-QGZVFWFLSA-N 0 1 377.452 1.965 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575214680 952566223 /nfs/dbraw/zinc/56/62/23/952566223.db2.gz NXBSTWONFOHCDP-UHFFFAOYSA-N 0 1 380.403 1.163 20 0 GDADMN O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cnccn1 ZINC001571128603 952568805 /nfs/dbraw/zinc/56/88/05/952568805.db2.gz VCVAMDKGUTYXDB-KNVOCYPGSA-N 0 1 377.821 1.140 20 0 GDADMN Cc1cnccc1CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571134529 952591902 /nfs/dbraw/zinc/59/19/02/952591902.db2.gz KDGMFUGRKHLJQM-UHFFFAOYSA-N 0 1 378.440 1.033 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571134801 952595416 /nfs/dbraw/zinc/59/54/16/952595416.db2.gz MZRFQCZXWDPZQD-HUUCEWRRSA-N 0 1 378.440 1.473 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571134800 952595487 /nfs/dbraw/zinc/59/54/87/952595487.db2.gz MZRFQCZXWDPZQD-GJZGRUSLSA-N 0 1 378.440 1.473 20 0 GDADMN Cc1ccccc1CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135503 952604278 /nfs/dbraw/zinc/60/42/78/952604278.db2.gz ZGUDDTZWJLXWKQ-OAHLLOKOSA-N 0 1 378.440 1.033 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1n[nH]c2c1CCC2 ZINC001571140563 952627546 /nfs/dbraw/zinc/62/75/46/952627546.db2.gz CZGCMDCSNNAOAB-CQSZACIVSA-N 0 1 378.440 1.083 20 0 GDADMN Cc1ccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)nc1C ZINC001571153344 952686566 /nfs/dbraw/zinc/68/65/66/952686566.db2.gz OTLGYJIAIUWYSB-UHFFFAOYSA-N 0 1 380.380 1.635 20 0 GDADMN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1(F)CCOCC1 ZINC001571165586 952753088 /nfs/dbraw/zinc/75/30/88/952753088.db2.gz GFHUEHKPTYDZOC-PHIMTYICSA-N 0 1 380.449 1.184 20 0 GDADMN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1(F)CCOCC1 ZINC001571165586 952753092 /nfs/dbraw/zinc/75/30/92/952753092.db2.gz GFHUEHKPTYDZOC-PHIMTYICSA-N 0 1 380.449 1.184 20 0 GDADMN CCn1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001571170162 952783960 /nfs/dbraw/zinc/78/39/60/952783960.db2.gz UHTRWROZOANSAP-MRXNPFEDSA-N 0 1 380.456 1.478 20 0 GDADMN O=C(c1ccon1)N1CCC[C@H]1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571172048 952801728 /nfs/dbraw/zinc/80/17/28/952801728.db2.gz LEDSRTFOVDBKII-ZETCQYMHSA-N 0 1 380.821 1.681 20 0 GDADMN Cc1ccccc1OCCN1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571179608 952854535 /nfs/dbraw/zinc/85/45/35/952854535.db2.gz GWBBMMCNBGWTRG-UHFFFAOYSA-N 0 1 381.440 1.244 20 0 GDADMN Cc1cc(CC(=O)N2CCCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)no1 ZINC001571179612 952855255 /nfs/dbraw/zinc/85/52/55/952855255.db2.gz HHOVVOMWBPYFMC-UHFFFAOYSA-N 0 1 381.440 1.440 20 0 GDADMN Cc1onc(CC(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1-c1nnn[n-]1 ZINC001571181382 952862767 /nfs/dbraw/zinc/86/27/67/952862767.db2.gz VRGTTYJGZIAXAK-UHFFFAOYSA-N 0 1 381.440 1.981 20 0 GDADMN Cc1onc(CC(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1-c1nnn[n-]1 ZINC001571181382 952862769 /nfs/dbraw/zinc/86/27/69/952862769.db2.gz VRGTTYJGZIAXAK-UHFFFAOYSA-N 0 1 381.440 1.981 20 0 GDADMN Cc1onc(CC(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1-c1nn[n-]n1 ZINC001571181382 952862773 /nfs/dbraw/zinc/86/27/73/952862773.db2.gz VRGTTYJGZIAXAK-UHFFFAOYSA-N 0 1 381.440 1.981 20 0 GDADMN Cc1onc(CC(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1-c1nn[n-]n1 ZINC001571181382 952862775 /nfs/dbraw/zinc/86/27/75/952862775.db2.gz VRGTTYJGZIAXAK-UHFFFAOYSA-N 0 1 381.440 1.981 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC001571182648 952867173 /nfs/dbraw/zinc/86/71/73/952867173.db2.gz AISHNHJJXOQVOM-HIFRSBDPSA-N 0 1 381.440 1.558 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1C[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001571182767 952868417 /nfs/dbraw/zinc/86/84/17/952868417.db2.gz FAVJMCHYTJJNOW-MLGOLLRUSA-N 0 1 381.440 1.454 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccncc1F ZINC001571183258 952875348 /nfs/dbraw/zinc/87/53/48/952875348.db2.gz USCQDUHUUUCJTB-HNNXBMFYSA-N 0 1 381.415 1.795 20 0 GDADMN CCCn1nccc1C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571183810 952883726 /nfs/dbraw/zinc/88/37/26/952883726.db2.gz JWHXCQNLQZLZSO-STQMWFEESA-N 0 1 381.444 1.005 20 0 GDADMN C[C@H](N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C)c1cnccn1 ZINC001571184319 952891469 /nfs/dbraw/zinc/89/14/69/952891469.db2.gz WCLUIUNQNBVPRH-XHDPSFHLSA-N 0 1 381.444 1.186 20 0 GDADMN Cc1c[nH]c(C(=O)N[C@@H](C)C2CCN(c3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001571185710 952903093 /nfs/dbraw/zinc/90/30/93/952903093.db2.gz OTEHAOARMMISGK-LBPRGKRZSA-N 0 1 381.444 1.328 20 0 GDADMN CN(C[C@H]1CCCCN1C(=O)Cc1ncc[nH]1)c1ccncc1-c1nn[nH]n1 ZINC001571186579 952907717 /nfs/dbraw/zinc/90/77/17/952907717.db2.gz XMMSMZSIEQNKQX-CYBMUJFWSA-N 0 1 381.444 1.045 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]1 ZINC001571187777 952910135 /nfs/dbraw/zinc/91/01/35/952910135.db2.gz BVZYVDABCUHSIT-ZDUSSCGKSA-N 0 1 381.444 1.309 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571188833 952920553 /nfs/dbraw/zinc/92/05/53/952920553.db2.gz NMDUOGOSSUQFKN-ZDUSSCGKSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1ncc(C(=O)N2C[C@@H](C)[C@H](CCNc3ccc(-c4nn[nH]n4)cn3)C2)[nH]1 ZINC001571188994 952922641 /nfs/dbraw/zinc/92/26/41/952922641.db2.gz LMWIOOHTJMNNOW-BXUZGUMPSA-N 0 1 381.444 1.504 20 0 GDADMN Cc1ncn(C)c1C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189262 952926709 /nfs/dbraw/zinc/92/67/09/952926709.db2.gz UGTPEPVOMIJTPT-GOSISDBHSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)n1C ZINC001571189372 952929721 /nfs/dbraw/zinc/92/97/21/952929721.db2.gz VUWJMWRPXAFTRW-CHWSQXEVSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001571191293 952945778 /nfs/dbraw/zinc/94/57/78/952945778.db2.gz PMUUYGMFYRTYIV-DMRZNYOFSA-N 0 1 381.484 1.886 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)CCc2ccco2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571199178 952996034 /nfs/dbraw/zinc/99/60/34/952996034.db2.gz MTQHVQLEPDJIFM-ZDUSSCGKSA-N 0 1 382.428 1.167 20 0 GDADMN CCc1nc(C(=O)N2C[C@@H](CNc3ccncc3-c3nn[nH]n3)[C@H](C)C2)co1 ZINC001571199084 952996288 /nfs/dbraw/zinc/99/62/88/952996288.db2.gz LHXSXTKTXCGMLP-VXGBXAGGSA-N 0 1 382.428 1.054 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H](F)c1ccccc1 ZINC001571199773 953004606 /nfs/dbraw/zinc/00/46/06/953004606.db2.gz BPTISMBDWNPOEI-UKRRQHHQSA-N 0 1 382.403 1.453 20 0 GDADMN Cc1cc(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571200994 953013172 /nfs/dbraw/zinc/01/31/72/953013172.db2.gz HPSHUUJDBNZZCP-CQSZACIVSA-N 0 1 382.428 1.737 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)[C@H](C)C2)no1 ZINC001571201355 953017623 /nfs/dbraw/zinc/01/76/23/953017623.db2.gz KOOYVRXFUYBVFX-YPMHNXCESA-N 0 1 382.428 1.190 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571202417 953025612 /nfs/dbraw/zinc/02/56/12/953025612.db2.gz WHXHHDQFQMRGDW-TXEJJXNPSA-N 0 1 382.428 1.416 20 0 GDADMN Cc1nocc1CN1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@H]12 ZINC001571205666 953040194 /nfs/dbraw/zinc/04/01/94/953040194.db2.gz KKMCNCZDIAWVTN-YJBOKZPZSA-N 0 1 382.428 1.418 20 0 GDADMN Cc1nocc1CN1C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001571207178 953060113 /nfs/dbraw/zinc/06/01/13/953060113.db2.gz WRSCJAUTMMVGTA-BLLLJJGKSA-N 0 1 382.428 1.228 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571212456 953088112 /nfs/dbraw/zinc/08/81/12/953088112.db2.gz MAENUTWJTTVHBC-AEGPPILISA-N 0 1 382.472 1.378 20 0 GDADMN CN(C[C@@H]1CCCCN1C(=O)[C@H]1CC12CCC2)c1ccnc(-c2nn[nH]n2)n1 ZINC001571212986 953091766 /nfs/dbraw/zinc/09/17/66/953091766.db2.gz PFTWITZIXYDDIT-UONOGXRCSA-N 0 1 382.472 1.664 20 0 GDADMN O=C(c1ccns1)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571217652 953110332 /nfs/dbraw/zinc/11/03/32/953110332.db2.gz GXSSQLJERLGACY-UHFFFAOYSA-N 0 1 382.862 1.396 20 0 GDADMN O=C(c1cnco1)N1CC2(C1)CCN(Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC001571217860 953111105 /nfs/dbraw/zinc/11/11/05/953111105.db2.gz QWMGAHDQGSYJKP-UHFFFAOYSA-N 0 1 383.387 1.342 20 0 GDADMN O=C(c1ccc(=O)[nH]c1)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571217887 953111957 /nfs/dbraw/zinc/11/19/57/953111957.db2.gz RIBIRUDQMMNLBP-AWEZNQCLSA-N 0 1 383.387 1.111 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C12CCC(CC1)CC2 ZINC001571218452 953115255 /nfs/dbraw/zinc/11/52/55/953115255.db2.gz OFJCEVDPEAPWQT-BIWSTMPVSA-N 0 1 382.472 1.712 20 0 GDADMN COCc1ccc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571219957 953128271 /nfs/dbraw/zinc/12/82/71/953128271.db2.gz UZCCMUJPUDYWIU-GFCCVEGCSA-N 0 1 383.412 1.318 20 0 GDADMN CC1(C)CN(Cc2cccc(F)c2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571229799 953171970 /nfs/dbraw/zinc/17/19/70/953171970.db2.gz NZFYOPXZFUNUNX-INIZCTEOSA-N 0 1 383.431 1.974 20 0 GDADMN Cc1cc(N2C[C@@H]3CCCN(C(=O)[C@@H]4CCOC4)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233121 953190596 /nfs/dbraw/zinc/19/05/96/953190596.db2.gz PAHXBTOMXIXZPF-JJRVBVJISA-N 0 1 383.456 1.034 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)Cc3cccs3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233931 953197541 /nfs/dbraw/zinc/19/75/41/953197541.db2.gz IGRMRABGXBVQEG-ZBEGNZNMSA-N 0 1 383.481 1.555 20 0 GDADMN Cn1cccc1C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@H]21 ZINC001571234286 953200219 /nfs/dbraw/zinc/20/02/19/953200219.db2.gz SHVVLMYWVRPZPS-IUODEOHRSA-N 0 1 383.481 1.613 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1nc(-c2nn[nH]n2)c(Cl)s1)[C@@H]1CCCO1 ZINC001571234516 953202857 /nfs/dbraw/zinc/20/28/57/953202857.db2.gz ANPCAWNWFMQLIF-IUCAKERBSA-N 0 1 383.865 1.241 20 0 GDADMN CCOC(=O)C1=CC[C@H](NC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)C1 ZINC001571235182 953209694 /nfs/dbraw/zinc/20/96/94/953209694.db2.gz WEHKNXJNHPJALF-ZETCQYMHSA-N 0 1 383.821 1.750 20 0 GDADMN Cc1nc[nH]c1C(=O)N1C[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001571238909 953233800 /nfs/dbraw/zinc/23/38/00/953233800.db2.gz BYOAVXCGTYKBSF-YGRLFVJLSA-N 0 1 384.419 1.430 20 0 GDADMN Cc1c[nH]nc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571239555 953240303 /nfs/dbraw/zinc/24/03/03/953240303.db2.gz MJEAXEKCYBLLFT-IAQYHMDHSA-N 0 1 384.419 1.288 20 0 GDADMN O=C(NC[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncc[nH]1 ZINC001571241575 953247123 /nfs/dbraw/zinc/24/71/23/953247123.db2.gz DTRZAKPOYOHMLL-GFCCVEGCSA-N 0 1 384.419 1.371 20 0 GDADMN Cc1ncc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)s1 ZINC001571244614 953265198 /nfs/dbraw/zinc/26/51/98/953265198.db2.gz CGBXPACUMCGVFY-LBPRGKRZSA-N 0 1 384.469 1.474 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)Cc3cscn3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244659 953265768 /nfs/dbraw/zinc/26/57/68/953265768.db2.gz DCZGIAYUBAIXHN-SMDDNHRTSA-N 0 1 384.469 1.093 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@@H]2C)cnn1 ZINC001571244749 953266568 /nfs/dbraw/zinc/26/65/68/953266568.db2.gz HJYQDECHIRAMHA-FZMZJTMJSA-N 0 1 384.469 1.419 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@@H]2C)cnn1 ZINC001571244749 953266571 /nfs/dbraw/zinc/26/65/71/953266571.db2.gz HJYQDECHIRAMHA-FZMZJTMJSA-N 0 1 384.469 1.419 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)c2nccs2)CCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571244826 953267628 /nfs/dbraw/zinc/26/76/28/953267628.db2.gz JVFFTYKIZBAKSQ-QWHCGFSZSA-N 0 1 384.469 1.814 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245160 953270894 /nfs/dbraw/zinc/27/08/94/953270894.db2.gz DUHZAVGRNGFKQO-FZMZJTMJSA-N 0 1 384.469 1.493 20 0 GDADMN Cc1cc(C)c(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571245247 953271564 /nfs/dbraw/zinc/27/15/64/953271564.db2.gz QHUKZNYAXYOATB-GFCCVEGCSA-N 0 1 384.469 1.474 20 0 GDADMN CCc1ncsc1C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571245300 953272082 /nfs/dbraw/zinc/27/20/82/953272082.db2.gz RLOMJHSQHGXGCN-LLVKDONJSA-N 0 1 384.469 1.537 20 0 GDADMN Cc1ncc(C(=O)NC2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)s1 ZINC001571245522 953274558 /nfs/dbraw/zinc/27/45/58/953274558.db2.gz UFTKGSBOZMPXMX-UHFFFAOYSA-N 0 1 384.469 1.734 20 0 GDADMN Cc1cnc(CNC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@@H]2C)o1 ZINC001571247583 953283861 /nfs/dbraw/zinc/28/38/61/953283861.db2.gz ARCPZZDAIXCWTG-SMDDNHRTSA-N 0 1 384.444 1.379 20 0 GDADMN O=C(N[C@@H]1C[C@H](NCc2cscn2)C12CCC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247672 953284199 /nfs/dbraw/zinc/28/41/99/953284199.db2.gz BXNYMCPWRGIHLC-UONOGXRCSA-N 0 1 384.469 1.482 20 0 GDADMN O=C(c1ncccn1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571248106 953289957 /nfs/dbraw/zinc/28/99/57/953289957.db2.gz MAXPPPGEBCBICE-GFCCVEGCSA-N 0 1 384.469 1.503 20 0 GDADMN O=C(c1ncccn1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571248106 953289961 /nfs/dbraw/zinc/28/99/61/953289961.db2.gz MAXPPPGEBCBICE-GFCCVEGCSA-N 0 1 384.469 1.503 20 0 GDADMN CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571248707 953296381 /nfs/dbraw/zinc/29/63/81/953296381.db2.gz YCEGGCDDLYLRHK-NXHRZFHOSA-N 0 1 384.484 1.762 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571249898 953308128 /nfs/dbraw/zinc/30/81/28/953308128.db2.gz MHTIBUMDBYRAMI-GDBMZVCRSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571249898 953308134 /nfs/dbraw/zinc/30/81/34/953308134.db2.gz MHTIBUMDBYRAMI-GDBMZVCRSA-N 0 1 384.488 1.397 20 0 GDADMN CC(C)[C@@](O)(C[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001571251417 953317193 /nfs/dbraw/zinc/31/71/93/953317193.db2.gz XJXZNWUGRGBKFP-IBGZPJMESA-N 0 1 384.488 1.580 20 0 GDADMN CC(C)[C@@](O)(C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001571251417 953317196 /nfs/dbraw/zinc/31/71/96/953317196.db2.gz XJXZNWUGRGBKFP-IBGZPJMESA-N 0 1 384.488 1.580 20 0 GDADMN CC(C)[C@@](O)(C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001571251417 953317199 /nfs/dbraw/zinc/31/71/99/953317199.db2.gz XJXZNWUGRGBKFP-IBGZPJMESA-N 0 1 384.488 1.580 20 0 GDADMN CC(C)[C@@](O)(C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001571251417 953317204 /nfs/dbraw/zinc/31/72/04/953317204.db2.gz XJXZNWUGRGBKFP-IBGZPJMESA-N 0 1 384.488 1.580 20 0 GDADMN CC1(C)CCC(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571251503 953317463 /nfs/dbraw/zinc/31/74/63/953317463.db2.gz YXBSHMXXAOOXDB-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571252893 953334240 /nfs/dbraw/zinc/33/42/40/953334240.db2.gz YIZFDDKFMUBASF-MGPQQGTHSA-N 0 1 384.488 1.411 20 0 GDADMN O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC3CCCC3)C1)O2 ZINC001594750251 953415631 /nfs/dbraw/zinc/41/56/31/953415631.db2.gz SHHPPYVUCQHOKJ-RXCRORICSA-N 0 1 379.501 1.963 20 0 GDADMN CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCCC[C@H]2CCC(=O)[O-])ccc1C ZINC000424263287 953444178 /nfs/dbraw/zinc/44/41/78/953444178.db2.gz RPZGOTQMBQEBKR-HNNXBMFYSA-N 0 1 397.497 1.561 20 0 GDADMN COC(=O)c1cc(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(C(=O)OC)c1 ZINC000521050682 953553907 /nfs/dbraw/zinc/55/39/07/953553907.db2.gz YRFYMXNCGGROOP-NWDGAFQWSA-N 0 1 392.408 1.383 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564965985 953607315 /nfs/dbraw/zinc/60/73/15/953607315.db2.gz VKVDSALHWUTDDR-LVQVYYBASA-N 0 1 376.453 1.716 20 0 GDADMN CN(C(=O)c1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000571325067 953660067 /nfs/dbraw/zinc/66/00/67/953660067.db2.gz JAXOSPIIMIXBNO-HNNXBMFYSA-N 0 1 397.435 1.593 20 0 GDADMN 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CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCC(=O)NCC(=O)[O-])C[C@@H]1C(F)(F)F ZINC001590176507 989508278 /nfs/dbraw/zinc/50/82/78/989508278.db2.gz JPBAEFFZOUMCCA-QWRGUYRKSA-N 0 1 397.394 1.212 20 0 GDADMN CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC001590185940 989547006 /nfs/dbraw/zinc/54/70/06/989547006.db2.gz WZMSTZOFGPQRFL-VGWMRTNUSA-N 0 1 386.489 1.606 20 0 GDADMN CN(C(=O)CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1C(=O)[O-] ZINC001598022520 990215882 /nfs/dbraw/zinc/21/58/82/990215882.db2.gz HPFLFOJNBUOYDL-MRXNPFEDSA-N 0 1 375.469 1.438 20 0 GDADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+]([C@H]2CCCN(CCC(=O)[O-])C2=O)C1 ZINC001598067246 990357901 /nfs/dbraw/zinc/35/79/01/990357901.db2.gz SZXNTKFYZSTVOO-CABCVRRESA-N 0 1 383.489 1.783 20 0 GDADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001598117441 990521970 /nfs/dbraw/zinc/52/19/70/990521970.db2.gz JCPWHRBFOQGNSD-OAHLLOKOSA-N 0 1 382.505 1.263 20 0 GDADMN CN(C)C(=O)CC[NH+]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CC1 ZINC001598126359 990557783 /nfs/dbraw/zinc/55/77/83/990557783.db2.gz NMGRHZLRLXITFL-UHFFFAOYSA-N 0 1 386.452 1.145 20 0 GDADMN CC(C)(CS(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)CCOCC1)C(=O)[O-] ZINC001590789304 990612893 /nfs/dbraw/zinc/61/28/93/990612893.db2.gz QOBZZULFHRZYNG-UHFFFAOYSA-N 0 1 398.525 1.652 20 0 GDADMN CN(C)C(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC(C(=O)[O-])=NO3)CC2)c1 ZINC001598157284 990650946 /nfs/dbraw/zinc/65/09/46/990650946.db2.gz QPLLKQOWIGMOCI-UHFFFAOYSA-N 0 1 388.424 1.022 20 0 GDADMN C[NH+](C)CC(=O)Nc1ccc(NC(=O)COCc2ocnc2C(=O)[O-])cc1 ZINC001598197029 990803731 /nfs/dbraw/zinc/80/37/31/990803731.db2.gz OADQHTDBFBLPSF-UHFFFAOYSA-N 0 1 376.369 1.028 20 0 GDADMN CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)C1 ZINC001590899038 990852986 /nfs/dbraw/zinc/85/29/86/990852986.db2.gz ONIDQQZBAPSLDT-NTXUUIFSSA-N 0 1 385.530 1.260 20 0 GDADMN CC(C)[C@H](CNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)[NH+]1CCOCC1 ZINC001590983099 991157337 /nfs/dbraw/zinc/15/73/37/991157337.db2.gz CUXWQVBXXJNYNU-GHTZIAJQSA-N 0 1 389.496 1.781 20 0 GDADMN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001599701655 991228316 /nfs/dbraw/zinc/22/83/16/991228316.db2.gz FUPATLUOQCWLGA-LIVBEALHSA-N 0 1 375.469 1.916 20 0 GDADMN CC(C)[C@H](NC(=O)C[NH2+][C@](C)(CO)C(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC001591002183 991263561 /nfs/dbraw/zinc/26/35/61/991263561.db2.gz PTMSDYBDZIVNKQ-PKOBYXMFSA-N 0 1 380.441 1.086 20 0 GDADMN CN(C)c1cc(NC(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc[nH+]1 ZINC001598307194 991268519 /nfs/dbraw/zinc/26/85/19/991268519.db2.gz HRYNJCPYKGDQII-LBPRGKRZSA-N 0 1 389.437 1.834 20 0 GDADMN CN(C)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@](C(=O)[O-])(C(F)(F)F)C3)C2=O)cc1 ZINC001598321573 991323205 /nfs/dbraw/zinc/32/32/05/991323205.db2.gz CUOAPPODNFEGRW-DYVFJYSZSA-N 0 1 399.369 1.724 20 0 GDADMN CN(C)c1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@](C(=O)[O-])(C(F)(F)F)C3)C2=O)cc1 ZINC001598321573 991323215 /nfs/dbraw/zinc/32/32/15/991323215.db2.gz CUOAPPODNFEGRW-DYVFJYSZSA-N 0 1 399.369 1.724 20 0 GDADMN CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001598424060 991768154 /nfs/dbraw/zinc/76/81/54/991768154.db2.gz VNIUANFSXYQRIE-UHFFFAOYSA-N 0 1 398.891 1.933 20 0 GDADMN C[N@@H+](C[C@@H](O)c1cccc(Br)c1)[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001598436019 991824757 /nfs/dbraw/zinc/82/47/57/991824757.db2.gz BERZHIVJOUOKFV-LSDHHAIUSA-N 0 1 399.285 1.880 20 0 GDADMN C[N@@H+](C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)[O-])[C@@H]1CCC[C@H]1O ZINC001598437026 991837360 /nfs/dbraw/zinc/83/73/60/991837360.db2.gz MBFMKHHYLYDIJC-ARFHVFGLSA-N 0 1 375.425 1.155 20 0 GDADMN C[N@@H+](C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)[O-])C[C@H]1CCCO1 ZINC001598437065 991838903 /nfs/dbraw/zinc/83/89/03/991838903.db2.gz MYWBOHJAPJHNMW-JKSUJKDBSA-N 0 1 375.425 1.421 20 0 GDADMN COc1nsc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1Br ZINC001599741205 991859149 /nfs/dbraw/zinc/85/91/49/991859149.db2.gz URWPFIUUJDZJQG-LURJTMIESA-N 0 1 375.204 1.063 20 0 GDADMN C[N@@H+](CCCCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)C1CC1 ZINC001598476279 992083049 /nfs/dbraw/zinc/08/30/49/992083049.db2.gz MXPGCRATLILHPY-UHFFFAOYSA-N 0 1 383.470 1.784 20 0 GDADMN CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC001599767279 992196971 /nfs/dbraw/zinc/19/69/71/992196971.db2.gz GAFBGKLGQPKKFM-MSOLQXFVSA-N 0 1 391.445 1.341 20 0 GDADMN CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC001599767279 992196977 /nfs/dbraw/zinc/19/69/77/992196977.db2.gz GAFBGKLGQPKKFM-MSOLQXFVSA-N 0 1 391.445 1.341 20 0 GDADMN C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598487464 992225091 /nfs/dbraw/zinc/22/50/91/992225091.db2.gz QCRWVCPVBRXHEZ-GFCCVEGCSA-N 0 1 398.257 1.837 20 0 GDADMN C[N@@H+](CCNC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)CC(=O)[O-] ZINC001598488557 992247892 /nfs/dbraw/zinc/24/78/92/992247892.db2.gz COTDZYCDQQVQRX-LJQANCHMSA-N 0 1 377.441 1.168 20 0 GDADMN CC(C)C[N@H+](CC(=O)[O-])CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001591304661 992253624 /nfs/dbraw/zinc/25/36/24/992253624.db2.gz BFZWFTNLIJXXJZ-MRXNPFEDSA-N 0 1 381.517 1.526 20 0 GDADMN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001591304661 992253633 /nfs/dbraw/zinc/25/36/33/992253633.db2.gz BFZWFTNLIJXXJZ-MRXNPFEDSA-N 0 1 381.517 1.526 20 0 GDADMN C[N@@H+](CCNC(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)C1CCCCC1 ZINC001598488990 992255315 /nfs/dbraw/zinc/25/53/15/992255315.db2.gz RSMYIFYIMPQCDU-UHFFFAOYSA-N 0 1 383.395 1.982 20 0 GDADMN C[N@@H+](CCNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)CC(=O)[O-] ZINC001598490440 992280441 /nfs/dbraw/zinc/28/04/41/992280441.db2.gz KGTTUAQMXYGSRD-UHFFFAOYSA-N 0 1 396.494 1.061 20 0 GDADMN C[N@@H+](CCNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)CC(=O)[O-] ZINC001598492856 992325383 /nfs/dbraw/zinc/32/53/83/992325383.db2.gz MGHNDCIIKUVULF-UHFFFAOYSA-N 0 1 385.399 1.548 20 0 GDADMN C[N@@H+](CCNS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)CC(=O)[O-] ZINC001598493909 992338535 /nfs/dbraw/zinc/33/85/35/992338535.db2.gz HLLDIQADFFLJAE-UHFFFAOYSA-N 0 1 375.756 1.049 20 0 GDADMN C[N@@H+](CCNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)CC(=O)[O-] ZINC001598494847 992346186 /nfs/dbraw/zinc/34/61/86/992346186.db2.gz CCOPMSZCABYGKW-UHFFFAOYSA-N 0 1 385.449 1.742 20 0 GDADMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591355862 992347680 /nfs/dbraw/zinc/34/76/80/992347680.db2.gz CMVQQLDYKMMGJI-NEPJUHHUSA-N 0 1 382.486 1.113 20 0 GDADMN C[N@@H+](CCNS(=O)(=O)Cc1ccc(Cl)cc1Br)CC(=O)[O-] ZINC001598496275 992367156 /nfs/dbraw/zinc/36/71/56/992367156.db2.gz YZWVSKQHKIYPAA-UHFFFAOYSA-N 0 1 399.694 1.538 20 0 GDADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001598506789 992513315 /nfs/dbraw/zinc/51/33/15/992513315.db2.gz BXQXNFCOZAEJIN-BXUZGUMPSA-N 0 1 375.252 1.719 20 0 GDADMN CC(C)Cn1c(CCC(N)=O)nn(C[N@@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1=S ZINC001591513808 992670434 /nfs/dbraw/zinc/67/04/34/992670434.db2.gz JEWWQXXJVIKPSF-SJCJKPOMSA-N 0 1 383.518 1.488 20 0 GDADMN CC(C)Cn1c(CCC(N)=O)nn(C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1=S ZINC001591513808 992670438 /nfs/dbraw/zinc/67/04/38/992670438.db2.gz JEWWQXXJVIKPSF-SJCJKPOMSA-N 0 1 383.518 1.488 20 0 GDADMN CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC001591542355 992722112 /nfs/dbraw/zinc/72/21/12/992722112.db2.gz IUPHYTBCBITMFP-UZLBHIALSA-N 0 1 379.501 1.421 20 0 GDADMN CC(C)[N@H+]1CC[C@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)[C@@H](c2cnn(C)c2)C1 ZINC001591611318 992864723 /nfs/dbraw/zinc/86/47/23/992864723.db2.gz NPBVOXCWUIWGLA-DAYGRLMNSA-N 0 1 380.514 1.311 20 0 GDADMN CC(C)N1CC[C@H]([N@H+]2C[C@H](C(=O)[O-])C3(CN(C(=O)OC(C)(C)C)C3)C2)C1=O ZINC001591618228 992882753 /nfs/dbraw/zinc/88/27/53/992882753.db2.gz PAWWIBXTWVKPGC-KGLIPLIRSA-N 0 1 381.473 1.249 20 0 GDADMN C[N@H+]1C[C@@H](OC(=O)C2(c3cncc(Br)c3)CC2)C[C@]1(C)C(=O)[O-] ZINC001598569031 993175525 /nfs/dbraw/zinc/17/55/25/993175525.db2.gz GSVGGTUDLGBLGB-SWLSCSKDSA-N 0 1 383.242 1.966 20 0 GDADMN C[N@H+]1C[C@@H]2CC[C@H](NS(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)[C@@H]2C1 ZINC001598573225 993233579 /nfs/dbraw/zinc/23/35/79/993233579.db2.gz CFPMKQXZRICQEM-PLMOITTCSA-N 0 1 376.837 1.796 20 0 GDADMN C[N@@H+]1C[C@H](OC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)C[C@@]1(C)C(=O)[O-] ZINC001598573423 993237841 /nfs/dbraw/zinc/23/78/41/993237841.db2.gz HVDPKZCQYOOQDI-ACJLOTCBSA-N 0 1 381.450 1.717 20 0 GDADMN C[N@H+]1C[C@H](OC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)C[C@@]1(C)C(=O)[O-] ZINC001598573423 993237849 /nfs/dbraw/zinc/23/78/49/993237849.db2.gz HVDPKZCQYOOQDI-ACJLOTCBSA-N 0 1 381.450 1.717 20 0 GDADMN C[N@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C(=O)[O-])C2)C1 ZINC001598586937 993397468 /nfs/dbraw/zinc/39/74/68/993397468.db2.gz XWDOEXHWILUQOF-IFXJQAMLSA-N 0 1 379.505 1.234 20 0 GDADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001598594855 993489049 /nfs/dbraw/zinc/48/90/49/993489049.db2.gz MCXLXMJXTBDTNL-RXVVDRJESA-N 0 1 384.480 1.749 20 0 GDADMN C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)c1ccc(N2CCCC2=O)cc1 ZINC001593062891 993583455 /nfs/dbraw/zinc/58/34/55/993583455.db2.gz NGEWSBFGQABWIR-ZBFHGGJFSA-N 0 1 388.468 1.532 20 0 GDADMN COc1ccc(F)cc1[C@H](C)NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001599583740 993584575 /nfs/dbraw/zinc/58/45/75/993584575.db2.gz YWDMOVPDRNAARX-DJJJIMSYSA-N 0 1 395.431 1.466 20 0 GDADMN C[N@H+]1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)C[C@@H](C(=O)[O-])C1 ZINC001598605444 993643104 /nfs/dbraw/zinc/64/31/04/993643104.db2.gz KLEGWFHOQBCGGB-GJZGRUSLSA-N 0 1 397.516 1.887 20 0 GDADMN CN(C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)c1c(F)cccc1F ZINC001598608314 993716947 /nfs/dbraw/zinc/71/69/47/993716947.db2.gz XHOKLHSRXWVAIY-DOMZBBRYSA-N 0 1 384.427 1.225 20 0 GDADMN C[N@H+]1CCN(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C[C@H](C(=O)[O-])C1 ZINC001598608875 993728510 /nfs/dbraw/zinc/72/85/10/993728510.db2.gz MEZYZYMODIFWKS-CJNGLKHVSA-N 0 1 390.440 1.284 20 0 GDADMN C[N@H+]1CCN(C(=O)c2nc(Br)sc2Cl)C[C@@H](C(=O)[O-])C1 ZINC001598609998 993750628 /nfs/dbraw/zinc/75/06/28/993750628.db2.gz ABJDIIYUVTXHPW-LURJTMIESA-N 0 1 382.667 1.647 20 0 GDADMN C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC001593116288 993808051 /nfs/dbraw/zinc/80/80/51/993808051.db2.gz ANGLGBDMYMSZOL-HZMBPMFUSA-N 0 1 387.383 1.869 20 0 GDADMN C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC001593116288 993808056 /nfs/dbraw/zinc/80/80/56/993808056.db2.gz ANGLGBDMYMSZOL-HZMBPMFUSA-N 0 1 387.383 1.869 20 0 GDADMN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001598613315 993826363 /nfs/dbraw/zinc/82/63/63/993826363.db2.gz PKGAQKDCVSBVKR-QGZVFWFLSA-N 0 1 389.496 1.893 20 0 GDADMN C[N@@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])[C@@H](CO)C1 ZINC001598614719 993856458 /nfs/dbraw/zinc/85/64/58/993856458.db2.gz BWDRVOGRKQCUEZ-SNVBAGLBSA-N 0 1 376.240 1.238 20 0 GDADMN C[N@H+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])[C@@H](CO)C1 ZINC001598614719 993856467 /nfs/dbraw/zinc/85/64/67/993856467.db2.gz BWDRVOGRKQCUEZ-SNVBAGLBSA-N 0 1 376.240 1.238 20 0 GDADMN COc1ccc(OC)c([C@@H](O)C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001599604227 993861038 /nfs/dbraw/zinc/86/10/38/993861038.db2.gz QRAILPULMBWKJS-WBMJQRKESA-N 0 1 376.413 1.364 20 0 GDADMN COc1ccc(OC)c([C@H](O)C[N@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001599604221 993861082 /nfs/dbraw/zinc/86/10/82/993861082.db2.gz QRAILPULMBWKJS-BLLLJJGKSA-N 0 1 376.413 1.364 20 0 GDADMN C[NH+]1CCN(CCCCNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC001598615270 993867286 /nfs/dbraw/zinc/86/72/86/993867286.db2.gz BPWMSJJCJOALTG-RBUKOAKNSA-N 0 1 388.512 1.524 20 0 GDADMN CN1CC[N@@H+](CCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@H](c2ccccc2)C1 ZINC001598618253 993935778 /nfs/dbraw/zinc/93/57/78/993935778.db2.gz YBGMCFYAFJDMQY-KSZLIROESA-N 0 1 375.469 1.114 20 0 GDADMN C[N@@H+]1CCN(CCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@H](c2ccccc2)C1 ZINC001598618253 993935788 /nfs/dbraw/zinc/93/57/88/993935788.db2.gz YBGMCFYAFJDMQY-KSZLIROESA-N 0 1 375.469 1.114 20 0 GDADMN C[N@H+]1CCN(CCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[C@H](c2ccccc2)C1 ZINC001598618253 993935793 /nfs/dbraw/zinc/93/57/93/993935793.db2.gz YBGMCFYAFJDMQY-KSZLIROESA-N 0 1 375.469 1.114 20 0 GDADMN C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001598618956 993956678 /nfs/dbraw/zinc/95/66/78/993956678.db2.gz CBCHOFNGTVMJKJ-IIMDRIAPSA-N 0 1 386.496 1.355 20 0 GDADMN C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1 ZINC001598618956 993956685 /nfs/dbraw/zinc/95/66/85/993956685.db2.gz CBCHOFNGTVMJKJ-IIMDRIAPSA-N 0 1 386.496 1.355 20 0 GDADMN C[NH+]1CCN(Cc2ccc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)s2)CC1 ZINC001598619613 993977521 /nfs/dbraw/zinc/97/75/21/993977521.db2.gz OMLHYNPBFVADBO-HNNXBMFYSA-N 0 1 395.525 1.591 20 0 GDADMN C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C[C@H](C(=O)[O-])C1 ZINC001598620721 994001436 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CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736798589 598268848 /nfs/dbraw/zinc/26/88/48/598268848.db2.gz AUJJJBMTOHQQQY-UHFFFAOYSA-N 0 1 379.490 1.147 20 0 GDADMN CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736798589 598268850 /nfs/dbraw/zinc/26/88/50/598268850.db2.gz AUJJJBMTOHQQQY-UHFFFAOYSA-N 0 1 379.490 1.147 20 0 GDADMN CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736798589 598268851 /nfs/dbraw/zinc/26/88/51/598268851.db2.gz AUJJJBMTOHQQQY-UHFFFAOYSA-N 0 1 379.490 1.147 20 0 GDADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1)N1CCC(CCN2CCOCC2)CC1 ZINC000738102909 598269881 /nfs/dbraw/zinc/26/98/81/598269881.db2.gz WYFUMTBAZXTXPS-UHFFFAOYSA-N 0 1 399.499 1.511 20 0 GDADMN CCCN(CC[NH+](C)C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736478830 598288076 /nfs/dbraw/zinc/28/80/76/598288076.db2.gz FFFAHRYEFJMJFS-UHFFFAOYSA-N 0 1 375.477 1.317 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000737200386 598288743 /nfs/dbraw/zinc/28/87/43/598288743.db2.gz LXZZQMCWDJERMG-HNNXBMFYSA-N 0 1 399.499 1.604 20 0 GDADMN O=C(COc1ccc(-c2nn[nH]n2)cc1)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000737918355 598311112 /nfs/dbraw/zinc/31/11/12/598311112.db2.gz BQOFDPBHDNLNKJ-UHFFFAOYSA-N 0 1 394.370 1.486 20 0 GDADMN O=C(COc1ccc(-c2nn[nH]n2)cc1)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000737918355 598311114 /nfs/dbraw/zinc/31/11/14/598311114.db2.gz BQOFDPBHDNLNKJ-UHFFFAOYSA-N 0 1 394.370 1.486 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000737062850 598361024 /nfs/dbraw/zinc/36/10/24/598361024.db2.gz RCLRUDSOHJVSLD-JTQLQIEISA-N 0 1 387.421 2.000 20 0 GDADMN COc1ccc(NC(=S)NNc2oc(C(C)(C)C)nc2-c2nn[nH]n2)cn1 ZINC000737103313 598378738 /nfs/dbraw/zinc/37/87/38/598378738.db2.gz GNBOBAXXPYWXOT-UHFFFAOYSA-N 0 1 389.445 1.869 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC(OC(C)C)CC2)cc1-c1nn[nH]n1 ZINC000737187787 598431614 /nfs/dbraw/zinc/43/16/14/598431614.db2.gz VCTBSNDYEDGGJW-UHFFFAOYSA-N 0 1 378.458 1.719 20 0 GDADMN COc1ccc(COCCC[NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)cc1 ZINC000737098728 598466488 /nfs/dbraw/zinc/46/64/88/598466488.db2.gz YSPPJSPJSUKBDJ-UHFFFAOYSA-N 0 1 394.439 1.615 20 0 GDADMN COc1ccc(COCCC[NH2+]Cc2cnc3c(-c4nn[n-]n4)cnn3c2)cc1 ZINC000737098728 598466489 /nfs/dbraw/zinc/46/64/89/598466489.db2.gz YSPPJSPJSUKBDJ-UHFFFAOYSA-N 0 1 394.439 1.615 20 0 GDADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000735559924 598726979 /nfs/dbraw/zinc/72/69/79/598726979.db2.gz AULBMZOKTZFOJH-HUUCEWRRSA-N 0 1 397.483 1.528 20 0 GDADMN O=C(NCCSCc1ccccc1-c1nn[nH]n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000738085433 598731315 /nfs/dbraw/zinc/73/13/15/598731315.db2.gz JCAUHWVOSYHPSC-OAHLLOKOSA-N 0 1 387.513 1.590 20 0 GDADMN O=C(COC(=O)c1c(F)cc(O)cc1F)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737904931 599369040 /nfs/dbraw/zinc/36/90/40/599369040.db2.gz UVWMNWYHFWMREX-UHFFFAOYSA-N 0 1 375.291 1.646 20 0 GDADMN C[C@@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820410380 599388176 /nfs/dbraw/zinc/38/81/76/599388176.db2.gz DYVMPECQKYHDSP-CHWSQXEVSA-N 0 1 391.435 1.891 20 0 GDADMN C[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820759620 599406764 /nfs/dbraw/zinc/40/67/64/599406764.db2.gz MGOOXMCKVHCNPO-ZNMIVQPWSA-N 0 1 387.488 1.726 20 0 GDADMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000820803621 599453690 /nfs/dbraw/zinc/45/36/90/599453690.db2.gz DHAHWABFONNVQF-HOCLYGCPSA-N 0 1 385.472 1.514 20 0 GDADMN O=C(CNCc1cnc2ccc(-c3nn[nH]n3)cn12)Nc1ccc(Cl)cc1 ZINC000737895652 599487476 /nfs/dbraw/zinc/48/74/76/599487476.db2.gz ONQDVFLVUVOBGQ-UHFFFAOYSA-N 0 1 382.815 1.896 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000737198754 599560356 /nfs/dbraw/zinc/56/03/56/599560356.db2.gz CSJDFNQIVPTLGT-HNNXBMFYSA-N 0 1 387.488 1.315 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000737198754 599560358 /nfs/dbraw/zinc/56/03/58/599560358.db2.gz CSJDFNQIVPTLGT-HNNXBMFYSA-N 0 1 387.488 1.315 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000737198754 599560360 /nfs/dbraw/zinc/56/03/60/599560360.db2.gz CSJDFNQIVPTLGT-HNNXBMFYSA-N 0 1 387.488 1.315 20 0 GDADMN c1cc(CCN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc2c1OCC2 ZINC000823766634 599569320 /nfs/dbraw/zinc/56/93/20/599569320.db2.gz GTYIFZPUZHCNNU-UHFFFAOYSA-N 0 1 377.452 1.561 20 0 GDADMN C[C@H]1CCCCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736266051 599580110 /nfs/dbraw/zinc/58/01/10/599580110.db2.gz FDDRECLELIVTPI-DJJJIMSYSA-N 0 1 383.456 1.856 20 0 GDADMN c1cn(CN2CCC(C3OCCO3)CC2)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000738407281 599580348 /nfs/dbraw/zinc/58/03/48/599580348.db2.gz YPBXHTHXHLXQHN-UHFFFAOYSA-N 0 1 381.440 1.773 20 0 GDADMN CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821623276 599600939 /nfs/dbraw/zinc/60/09/39/599600939.db2.gz HZIUGYGDTQDNLQ-SNVBAGLBSA-N 0 1 397.361 1.034 20 0 GDADMN CCc1cc(CNC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)n[nH]1 ZINC000736676101 599602725 /nfs/dbraw/zinc/60/27/25/599602725.db2.gz QGHCGFNSVIIBGR-UHFFFAOYSA-N 0 1 399.434 1.323 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1-c1nn[nH]n1 ZINC000737187063 599604472 /nfs/dbraw/zinc/60/44/72/599604472.db2.gz OOODUBVSCWQWBU-UHFFFAOYSA-N 0 1 386.441 1.432 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000822004809 599653943 /nfs/dbraw/zinc/65/39/43/599653943.db2.gz LAOBBFSROBTGGY-KGLIPLIRSA-N 0 1 385.472 1.212 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000822004809 599653944 /nfs/dbraw/zinc/65/39/44/599653944.db2.gz LAOBBFSROBTGGY-KGLIPLIRSA-N 0 1 385.472 1.212 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000822004809 599653945 /nfs/dbraw/zinc/65/39/45/599653945.db2.gz LAOBBFSROBTGGY-KGLIPLIRSA-N 0 1 385.472 1.212 20 0 GDADMN C[C@H](NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820349809 599682144 /nfs/dbraw/zinc/68/21/44/599682144.db2.gz ITSZROFKQMEDCO-RRQGHBQHSA-N 0 1 385.472 1.168 20 0 GDADMN O=C(CCN1CCN(c2ccccn2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822969232 599693083 /nfs/dbraw/zinc/69/30/83/599693083.db2.gz KJNMZCQNWQOKLQ-UHFFFAOYSA-N 0 1 392.467 1.090 20 0 GDADMN COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000650505320 599754409 /nfs/dbraw/zinc/75/44/09/599754409.db2.gz ZYXXPUBQGZRNAX-AWEZNQCLSA-N 0 1 377.441 1.233 20 0 GDADMN CNS(=O)(=O)c1ccccc1N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000581553455 599772750 /nfs/dbraw/zinc/77/27/50/599772750.db2.gz PUYUCYGQSSSVNN-UHFFFAOYSA-N 0 1 389.477 1.615 20 0 GDADMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000736347740 599784335 /nfs/dbraw/zinc/78/43/35/599784335.db2.gz YHNOTMXDVBYCOW-DOTOQJQBSA-N 0 1 378.469 1.609 20 0 GDADMN C[NH+]1CCN(c2cc(C(=O)Nc3ccc4[nH]nc(C(=O)[O-])c4c3)ccn2)CC1 ZINC000737528677 599826303 /nfs/dbraw/zinc/82/63/03/599826303.db2.gz LMRNWMIPOHTUGL-UHFFFAOYSA-N 0 1 380.408 1.660 20 0 GDADMN COC(=O)c1cc(NC(=O)C[N@@H+]2CCc3ccc(O)cc3CC2)cc(C(=O)[O-])c1 ZINC000737665450 599955374 /nfs/dbraw/zinc/95/53/74/599955374.db2.gz IEBZWLKBPXMSPM-UHFFFAOYSA-N 0 1 398.415 1.916 20 0 GDADMN COC(=O)c1cc(NC(=O)C[N@H+]2CCc3ccc(O)cc3CC2)cc(C(=O)[O-])c1 ZINC000737665450 599955376 /nfs/dbraw/zinc/95/53/76/599955376.db2.gz IEBZWLKBPXMSPM-UHFFFAOYSA-N 0 1 398.415 1.916 20 0 GDADMN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000737506634 599968489 /nfs/dbraw/zinc/96/84/89/599968489.db2.gz ZXXFOWJCNGLLPW-QAPCUYQASA-N 0 1 396.451 1.478 20 0 GDADMN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000737505527 599975391 /nfs/dbraw/zinc/97/53/91/599975391.db2.gz MUVALVLAVCYIMT-CRAIPNDOSA-N 0 1 396.451 1.650 20 0 GDADMN O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000738547135 599985900 /nfs/dbraw/zinc/98/59/00/599985900.db2.gz 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SGTPCILWGPMGMI-OKZBNKHCSA-N 0 1 375.469 1.782 20 0 GDADMN CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000818140938 602298613 /nfs/dbraw/zinc/29/86/13/602298613.db2.gz SGTPCILWGPMGMI-OKZBNKHCSA-N 0 1 375.469 1.782 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818113151 602298741 /nfs/dbraw/zinc/29/87/41/602298741.db2.gz LOQPRNJMWCLGMU-CIRFHOKZSA-N 0 1 375.469 1.638 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000833019596 602334609 /nfs/dbraw/zinc/33/46/09/602334609.db2.gz QIEVVGNFPCKSDB-UHFFFAOYSA-N 0 1 376.392 1.378 20 0 GDADMN Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000833019596 602334611 /nfs/dbraw/zinc/33/46/11/602334611.db2.gz QIEVVGNFPCKSDB-UHFFFAOYSA-N 0 1 376.392 1.378 20 0 GDADMN Cn1cc(NC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC000830950402 602375276 /nfs/dbraw/zinc/37/52/76/602375276.db2.gz KLRYFSFACVAURT-HNNXBMFYSA-N 0 1 391.497 1.895 20 0 GDADMN CC(C)[C@H](NC(=O)[O-])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000736368802 602387814 /nfs/dbraw/zinc/38/78/14/602387814.db2.gz PEFMLEKREKUPJX-ROUUACIJSA-N 0 1 376.501 1.774 20 0 GDADMN CC(C)[C@H](NC(=O)[O-])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000736368802 602387816 /nfs/dbraw/zinc/38/78/16/602387816.db2.gz PEFMLEKREKUPJX-ROUUACIJSA-N 0 1 376.501 1.774 20 0 GDADMN CC(C)[C@H](NC(=O)[O-])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000736368802 602387819 /nfs/dbraw/zinc/38/78/19/602387819.db2.gz PEFMLEKREKUPJX-ROUUACIJSA-N 0 1 376.501 1.774 20 0 GDADMN CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000739365613 602393645 /nfs/dbraw/zinc/39/36/45/602393645.db2.gz HPSQPNCLENRIAN-QGZVFWFLSA-N 0 1 376.457 1.102 20 0 GDADMN C[C@@H](NC(=O)[O-])C1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000739022767 602451279 /nfs/dbraw/zinc/45/12/79/602451279.db2.gz DYJWODAARQUPKT-UKRRQHHQSA-N 0 1 377.441 1.311 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000739097684 602509295 /nfs/dbraw/zinc/50/92/95/602509295.db2.gz SGXCUFPQSASZST-QRWLVFNGSA-N 0 1 391.516 1.965 20 0 GDADMN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000739725443 602518988 /nfs/dbraw/zinc/51/89/88/602518988.db2.gz FCPLQSZPYKKGBZ-OALUTQOASA-N 0 1 388.512 1.494 20 0 GDADMN CN(C[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1)C(=O)[O-] ZINC000739660659 602528198 /nfs/dbraw/zinc/52/81/98/602528198.db2.gz KKHQIKGQQYGSTM-QGZVFWFLSA-N 0 1 389.496 1.783 20 0 GDADMN COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739781650 602528448 /nfs/dbraw/zinc/52/84/48/602528448.db2.gz SNZUOVYXFFTRBC-CQSZACIVSA-N 0 1 378.429 1.413 20 0 GDADMN CN(C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1)C(=O)[O-] ZINC000739661779 602531085 /nfs/dbraw/zinc/53/10/85/602531085.db2.gz XSGXESOHHTZKBS-HNNXBMFYSA-N 0 1 378.448 1.406 20 0 GDADMN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1)C(=O)[O-] ZINC000739662153 602531687 /nfs/dbraw/zinc/53/16/87/602531687.db2.gz WQHKUOCUXSLNKD-OAHLLOKOSA-N 0 1 375.473 1.942 20 0 GDADMN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1)C(=O)[O-] ZINC000739662153 602531689 /nfs/dbraw/zinc/53/16/89/602531689.db2.gz WQHKUOCUXSLNKD-OAHLLOKOSA-N 0 1 375.473 1.942 20 0 GDADMN COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(N(C)C(=O)[O-])CC2)c1 ZINC000738104789 602533094 /nfs/dbraw/zinc/53/30/94/602533094.db2.gz MJBYCYIDZPVYIV-ZDUSSCGKSA-N 0 1 379.457 1.955 20 0 GDADMN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1)C(=O)[O-] ZINC000739661219 602537447 /nfs/dbraw/zinc/53/74/47/602537447.db2.gz ODDDRNXPDRNWEG-GFCCVEGCSA-N 0 1 380.470 1.134 20 0 GDADMN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1)C(=O)[O-] ZINC000739661219 602537449 /nfs/dbraw/zinc/53/74/49/602537449.db2.gz ODDDRNXPDRNWEG-GFCCVEGCSA-N 0 1 380.470 1.134 20 0 GDADMN COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000739952428 602538102 /nfs/dbraw/zinc/53/81/02/602538102.db2.gz NJSCPFWJCHOVGT-AWEZNQCLSA-N 0 1 392.456 1.024 20 0 GDADMN COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000739952428 602538104 /nfs/dbraw/zinc/53/81/04/602538104.db2.gz NJSCPFWJCHOVGT-AWEZNQCLSA-N 0 1 392.456 1.024 20 0 GDADMN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1)C(=O)[O-] ZINC000739658773 602540284 /nfs/dbraw/zinc/54/02/84/602540284.db2.gz BHKRFRMBDNPYLH-JTQLQIEISA-N 0 1 380.470 1.206 20 0 GDADMN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1)C(=O)[O-] ZINC000739658773 602540285 /nfs/dbraw/zinc/54/02/85/602540285.db2.gz BHKRFRMBDNPYLH-JTQLQIEISA-N 0 1 380.470 1.206 20 0 GDADMN CN(C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739662242 602543485 /nfs/dbraw/zinc/54/34/85/602543485.db2.gz XVCLWIAVNNKCGQ-YOEHRIQHSA-N 0 1 379.432 1.657 20 0 GDADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])C[C@@H](C)O1 ZINC000739172228 602564305 /nfs/dbraw/zinc/56/43/05/602564305.db2.gz CYBWHPPGQIRUHF-BFYDXBDKSA-N 0 1 377.485 1.869 20 0 GDADMN 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ZINC000821242925 606694768 /nfs/dbraw/zinc/69/47/68/606694768.db2.gz XPJRJPDRQACSHK-QMTHXVAHSA-N 0 1 387.513 1.931 20 0 GDADMN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC000821242925 606694769 /nfs/dbraw/zinc/69/47/69/606694769.db2.gz XPJRJPDRQACSHK-QMTHXVAHSA-N 0 1 387.513 1.931 20 0 GDADMN CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000820038813 606713902 /nfs/dbraw/zinc/71/39/02/606713902.db2.gz SGLVFNABMJGSLA-CQSZACIVSA-N 0 1 380.456 1.969 20 0 GDADMN CC(C)[C@@H]1CC[N@@H+](CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000820038813 606713903 /nfs/dbraw/zinc/71/39/03/606713903.db2.gz SGLVFNABMJGSLA-CQSZACIVSA-N 0 1 380.456 1.969 20 0 GDADMN O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000823607162 606844713 /nfs/dbraw/zinc/84/47/13/606844713.db2.gz REOUCFZMJPQHER-CQSZACIVSA-N 0 1 394.476 1.645 20 0 GDADMN CN(CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000821602891 606884700 /nfs/dbraw/zinc/88/47/00/606884700.db2.gz ZTVHQBFSSQLRCI-UHFFFAOYSA-N 0 1 394.407 1.560 20 0 GDADMN O=S(=O)(NCc1ccc(F)c(F)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578374 606889689 /nfs/dbraw/zinc/88/96/89/606889689.db2.gz NDWCXKOYLADCFB-UHFFFAOYSA-N 0 1 387.318 1.902 20 0 GDADMN CO[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC000821677197 606894385 /nfs/dbraw/zinc/89/43/85/606894385.db2.gz QWTVLALZIHDCEB-LLVKDONJSA-N 0 1 375.401 1.484 20 0 GDADMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CN1Cc1ccccc1 ZINC000820667811 606897325 /nfs/dbraw/zinc/89/73/25/606897325.db2.gz ODKCKZPSIWMPLA-PBHICJAKSA-N 0 1 398.492 1.808 20 0 GDADMN CCCN(CCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821099596 606919289 /nfs/dbraw/zinc/91/92/89/606919289.db2.gz KICLROZMTKSQAE-OAHLLOKOSA-N 0 1 379.486 1.535 20 0 GDADMN CC(C)n1nccc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820214481 606986421 /nfs/dbraw/zinc/98/64/21/606986421.db2.gz DXIGZKXSMODNNE-UHFFFAOYSA-N 0 1 394.483 1.992 20 0 GDADMN O=C1[C@H](N2CC[C@@]3(O)CCCC[C@@H]3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504373 607107432 /nfs/dbraw/zinc/10/74/32/607107432.db2.gz PQNKCFTUZCBADH-MDYRTPRTSA-N 0 1 382.468 1.599 20 0 GDADMN CC[C@@H](C(=O)O[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)N(CC)CC ZINC000820847535 607111312 /nfs/dbraw/zinc/11/13/12/607111312.db2.gz FTSJKXJUHHCHNO-JKSUJKDBSA-N 0 1 386.456 1.636 20 0 GDADMN O=C(NCCCF)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823188054 607155727 /nfs/dbraw/zinc/15/57/27/607155727.db2.gz UACNOXKDWCMWDO-UHFFFAOYSA-N 0 1 390.379 1.306 20 0 GDADMN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1 ZINC000821338276 607159833 /nfs/dbraw/zinc/15/98/33/607159833.db2.gz ULADNFCTUFYSQU-SECBINFHSA-N 0 1 392.441 1.105 20 0 GDADMN COc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OC1CCCC1 ZINC000821832093 607207588 /nfs/dbraw/zinc/20/75/88/607207588.db2.gz ZHSOMQWIKQYOPR-UHFFFAOYSA-N 0 1 384.400 1.427 20 0 GDADMN CCc1cccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)c1 ZINC000821492879 607207975 /nfs/dbraw/zinc/20/79/75/607207975.db2.gz YDRDBUIJQSMZPI-UHFFFAOYSA-N 0 1 391.395 1.847 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000823135929 607208321 /nfs/dbraw/zinc/20/83/21/607208321.db2.gz AOEVUZIAYROHHU-UHFFFAOYSA-N 0 1 381.331 1.423 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000823123142 607211655 /nfs/dbraw/zinc/21/16/55/607211655.db2.gz PDHNRAURGNTHQM-UHFFFAOYSA-N 0 1 386.419 1.927 20 0 GDADMN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820295161 607212390 /nfs/dbraw/zinc/21/23/90/607212390.db2.gz ZPXLLGKLGCSLMZ-QMMMGPOBSA-N 0 1 381.227 1.512 20 0 GDADMN COc1cccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1OC1CCCC1 ZINC000821868609 607216729 /nfs/dbraw/zinc/21/67/29/607216729.db2.gz SLEVQPUFQMCXHS-UHFFFAOYSA-N 0 1 398.427 1.105 20 0 GDADMN CCCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000821083259 607218694 /nfs/dbraw/zinc/21/86/94/607218694.db2.gz WLPMNYZMMWSLDE-UONOGXRCSA-N 0 1 388.476 1.435 20 0 GDADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(-c2ccncc2)cc1 ZINC000820333449 607220628 /nfs/dbraw/zinc/22/06/28/607220628.db2.gz CBQHPMUHVXINKR-LBPRGKRZSA-N 0 1 375.396 1.398 20 0 GDADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000821062173 607222253 /nfs/dbraw/zinc/22/22/53/607222253.db2.gz VDMOASQRKNRDIU-UHFFFAOYSA-N 0 1 397.487 1.397 20 0 GDADMN CCCC[N@H+](CC)Cc1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821062173 607222254 /nfs/dbraw/zinc/22/22/54/607222254.db2.gz VDMOASQRKNRDIU-UHFFFAOYSA-N 0 1 397.487 1.397 20 0 GDADMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821062173 607222255 /nfs/dbraw/zinc/22/22/55/607222255.db2.gz VDMOASQRKNRDIU-UHFFFAOYSA-N 0 1 397.487 1.397 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1-c1nn[nH]n1 ZINC000826229993 607811840 /nfs/dbraw/zinc/81/18/40/607811840.db2.gz ZIKPEUAREJJZAW-SNVBAGLBSA-N 0 1 398.452 1.093 20 0 GDADMN CCN1CCN([C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000825459436 607831628 /nfs/dbraw/zinc/83/16/28/607831628.db2.gz KOXMYZZGLKPISY-NEPJUHHUSA-N 0 1 377.880 1.873 20 0 GDADMN CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)Nc3sccc3-c3nn[nH]n3)[C@@H]2C1 ZINC000826145323 607858961 /nfs/dbraw/zinc/85/89/61/607858961.db2.gz DHQJKBFTMKBCPJ-BNOWGMLFSA-N 0 1 392.485 1.525 20 0 GDADMN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000826323722 607913056 /nfs/dbraw/zinc/91/30/56/607913056.db2.gz OYXAZQBHSPTAIF-JTQLQIEISA-N 0 1 375.462 1.566 20 0 GDADMN O=C(c1cnco1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826475100 607969224 /nfs/dbraw/zinc/96/92/24/607969224.db2.gz SCPNSOBMZGMGID-UHFFFAOYSA-N 0 1 382.340 1.065 20 0 GDADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000826090776 607986567 /nfs/dbraw/zinc/98/65/67/607986567.db2.gz OKOOEUGZJWSFRG-NSHDSACASA-N 0 1 390.444 1.765 20 0 GDADMN COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826132894 608002892 /nfs/dbraw/zinc/00/28/92/608002892.db2.gz HWYYFBUWMHOKFP-XIKOKIGWSA-N 0 1 390.444 1.727 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000826073393 608020713 /nfs/dbraw/zinc/02/07/13/608020713.db2.gz QIUQVOVERRBLIU-NSHDSACASA-N 0 1 384.444 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000826073393 608020714 /nfs/dbraw/zinc/02/07/14/608020714.db2.gz QIUQVOVERRBLIU-NSHDSACASA-N 0 1 384.444 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1-c1nnn[n-]1 ZINC000826073625 608021210 /nfs/dbraw/zinc/02/12/10/608021210.db2.gz ZWBGOUAKMBQECY-UHFFFAOYSA-N 0 1 398.446 1.941 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1-c1nn[n-]n1 ZINC000826073625 608021211 /nfs/dbraw/zinc/02/12/11/608021211.db2.gz ZWBGOUAKMBQECY-UHFFFAOYSA-N 0 1 398.446 1.941 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826077639 608022016 /nfs/dbraw/zinc/02/20/16/608022016.db2.gz PBGNSQCKDMJJNX-UHFFFAOYSA-N 0 1 390.398 1.591 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826077639 608022017 /nfs/dbraw/zinc/02/20/17/608022017.db2.gz PBGNSQCKDMJJNX-UHFFFAOYSA-N 0 1 390.398 1.591 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000826077796 608022157 /nfs/dbraw/zinc/02/21/57/608022157.db2.gz WHJWIJKOEDSFNT-GFCCVEGCSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000826077796 608022158 /nfs/dbraw/zinc/02/21/58/608022158.db2.gz WHJWIJKOEDSFNT-GFCCVEGCSA-N 0 1 398.471 1.883 20 0 GDADMN C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824915544 608033608 /nfs/dbraw/zinc/03/36/08/608033608.db2.gz GEGSXSBAFRKPJE-CPCZMJQVSA-N 0 1 389.508 1.120 20 0 GDADMN C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824915544 608033609 /nfs/dbraw/zinc/03/36/09/608033609.db2.gz GEGSXSBAFRKPJE-CPCZMJQVSA-N 0 1 389.508 1.120 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccccc1OC(F)F ZINC000825933941 608034695 /nfs/dbraw/zinc/03/46/95/608034695.db2.gz JCNSTXRDNXWTKV-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccccc1OC(F)F ZINC000825933941 608034696 /nfs/dbraw/zinc/03/46/96/608034696.db2.gz JCNSTXRDNXWTKV-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccccc1OC(F)F ZINC000825933941 608034697 /nfs/dbraw/zinc/03/46/97/608034697.db2.gz JCNSTXRDNXWTKV-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccccc1OC(F)F ZINC000825933941 608034698 /nfs/dbraw/zinc/03/46/98/608034698.db2.gz JCNSTXRDNXWTKV-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824901370 608043033 /nfs/dbraw/zinc/04/30/33/608043033.db2.gz YRQFOWMSANPSEX-GHMZBOCLSA-N 0 1 376.486 1.591 20 0 GDADMN C[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000824901370 608043034 /nfs/dbraw/zinc/04/30/34/608043034.db2.gz YRQFOWMSANPSEX-GHMZBOCLSA-N 0 1 376.486 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O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)c1cccnn1 ZINC001571298971 946236045 /nfs/dbraw/zinc/23/60/45/946236045.db2.gz SOQOEWUODOJUGT-ALOPSCKCSA-N 0 1 390.451 1.582 20 0 GDADMN CN(C(=O)[C@H]1CCCO1)C1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299358 946249825 /nfs/dbraw/zinc/24/98/25/946249825.db2.gz LQAWETFVTWTIQM-SSDMNJCBSA-N 0 1 390.513 1.966 20 0 GDADMN CN(C(=O)[C@H]1CCCO1)C1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299358 946249830 /nfs/dbraw/zinc/24/98/30/946249830.db2.gz LQAWETFVTWTIQM-SSDMNJCBSA-N 0 1 390.513 1.966 20 0 GDADMN O=C(COC1CCCC1)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300169 946274847 /nfs/dbraw/zinc/27/48/47/946274847.db2.gz WEKHFXSUCNBIQY-UHFFFAOYSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(COC1CCCC1)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300169 946274854 /nfs/dbraw/zinc/27/48/54/946274854.db2.gz WEKHFXSUCNBIQY-UHFFFAOYSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300155 946275714 /nfs/dbraw/zinc/27/57/14/946275714.db2.gz VVUZJVUXYDFXQC-KBPBESRZSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300155 946275721 /nfs/dbraw/zinc/27/57/21/946275721.db2.gz VVUZJVUXYDFXQC-KBPBESRZSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300155 946275733 /nfs/dbraw/zinc/27/57/33/946275733.db2.gz VVUZJVUXYDFXQC-KBPBESRZSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300155 946275741 /nfs/dbraw/zinc/27/57/41/946275741.db2.gz VVUZJVUXYDFXQC-KBPBESRZSA-N 0 1 390.513 1.826 20 0 GDADMN CO[C@@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300329 946280657 /nfs/dbraw/zinc/28/06/57/946280657.db2.gz ZUCKMDLHLBHOQT-HUUCEWRRSA-N 0 1 390.513 1.824 20 0 GDADMN O=C(N1CCC(c2n[nH]c(=O)o2)CC1)C(F)(F)c1ccccc1-c1nn[nH]n1 ZINC001571302030 946290531 /nfs/dbraw/zinc/29/05/31/946290531.db2.gz MBDFNGLRVFLBOQ-UHFFFAOYSA-N 0 1 391.338 1.453 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571302345 946300041 /nfs/dbraw/zinc/30/00/41/946300041.db2.gz VJNXIFCPRWYXIE-JHJVBQTASA-N 0 1 391.426 1.625 20 0 GDADMN Cc1cc(NCC2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302326 946300644 /nfs/dbraw/zinc/30/06/44/946300644.db2.gz UUIIVIRNQJEITA-STQMWFEESA-N 0 1 391.426 1.544 20 0 GDADMN Cc1cncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)c1 ZINC001571302679 946311455 /nfs/dbraw/zinc/31/14/55/946311455.db2.gz FQKRCBLIPNXCPU-CFVMTHIKSA-N 0 1 391.439 1.147 20 0 GDADMN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC001571308063 946428828 /nfs/dbraw/zinc/42/88/28/946428828.db2.gz LAHFZAQIHJYYEM-ZETCQYMHSA-N 0 1 392.217 1.602 20 0 GDADMN O=S(=O)(CCN1CCC[C@@H](N2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823563010 946447311 /nfs/dbraw/zinc/44/73/11/946447311.db2.gz YQBIHOONNVGSHG-MRXNPFEDSA-N 0 1 390.513 1.201 20 0 GDADMN Cc1cc(C)cc(CC(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315801 946557499 /nfs/dbraw/zinc/55/74/99/946557499.db2.gz OKIDWWXQITUXES-UHFFFAOYSA-N 0 1 392.467 1.245 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)ncn1 ZINC001571315870 946561716 /nfs/dbraw/zinc/56/17/16/946561716.db2.gz QFGBXIXCEQDQNR-KRWDZBQOSA-N 0 1 392.467 1.606 20 0 GDADMN Cc1cc(C)cc(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316003 946563036 /nfs/dbraw/zinc/56/30/36/946563036.db2.gz RKBXIRCVIQIFTQ-INIZCTEOSA-N 0 1 392.467 1.601 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)nn1 ZINC001571316066 946563088 /nfs/dbraw/zinc/56/30/88/946563088.db2.gz SYADUNMUVUKQQI-PBHICJAKSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cnccc1CC(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571316401 946576858 /nfs/dbraw/zinc/57/68/58/946576858.db2.gz BKIOPOURUMPSPX-OAHLLOKOSA-N 0 1 392.467 1.493 20 0 GDADMN Cc1ccccc1CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001571317100 946599473 /nfs/dbraw/zinc/59/94/73/946599473.db2.gz VEHGXFPGGOHOLG-OAHLLOKOSA-N 0 1 392.467 1.539 20 0 GDADMN Cc1cncc(CC(=O)N2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)c1 ZINC001571317173 946602273 /nfs/dbraw/zinc/60/22/73/946602273.db2.gz XCBQOEKPDKHTLF-UHFFFAOYSA-N 0 1 392.467 1.555 20 0 GDADMN Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571317221 946603923 /nfs/dbraw/zinc/60/39/23/946603923.db2.gz YHDXQURTLXXUGM-CABCVRRESA-N 0 1 392.467 1.516 20 0 GDADMN C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824598789 946848802 /nfs/dbraw/zinc/84/88/02/946848802.db2.gz IWCMUOGJHFSUGV-AWEZNQCLSA-N 0 1 386.481 1.637 20 0 GDADMN CC[NH+](CC)[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000825405491 947176012 /nfs/dbraw/zinc/17/60/12/947176012.db2.gz BUFKIYZACOKCJM-INIZCTEOSA-N 0 1 397.483 1.775 20 0 GDADMN CC[NH+](CC)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000825405491 947176026 /nfs/dbraw/zinc/17/60/26/947176026.db2.gz BUFKIYZACOKCJM-INIZCTEOSA-N 0 1 397.483 1.775 20 0 GDADMN CCN1CCN(c2ccc(CNc3nccc(C)c3-c3nn[nH]n3)cn2)CC1 ZINC000825465058 947197816 /nfs/dbraw/zinc/19/78/16/947197816.db2.gz GZPUMISGSUPVEB-UHFFFAOYSA-N 0 1 379.472 1.719 20 0 GDADMN C[C@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573613519 947564487 /nfs/dbraw/zinc/56/44/87/947564487.db2.gz BNZZLJHXCMPTIA-XOBRGWDASA-N 0 1 392.467 1.533 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573613786 947571013 /nfs/dbraw/zinc/57/10/13/947571013.db2.gz IUYIZYBWWKGVRG-JCGIZDLHSA-N 0 1 392.467 1.500 20 0 GDADMN C[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573613824 947571917 /nfs/dbraw/zinc/57/19/17/947571917.db2.gz AGEXZPXNLPJHDO-JTQLQIEISA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573614222 947581926 /nfs/dbraw/zinc/58/19/26/947581926.db2.gz DGPWQGBEIRZACF-CQSZACIVSA-N 0 1 380.456 1.539 20 0 GDADMN C=Cc1ccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)cc1 ZINC001573351114 947610280 /nfs/dbraw/zinc/61/02/80/947610280.db2.gz KPRCXVXINQHBKW-OAHLLOKOSA-N 0 1 390.451 1.684 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573616208 947619514 /nfs/dbraw/zinc/61/95/14/947619514.db2.gz VSCBDKKHKNUUBU-XIKOKIGWSA-N 0 1 382.428 1.126 20 0 GDADMN COc1cccc2c1CCN(C[C@@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826217905 947642226 /nfs/dbraw/zinc/64/22/26/947642226.db2.gz HICVZIHMYWHZGR-MRXNPFEDSA-N 0 1 381.436 1.673 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618422 947650958 /nfs/dbraw/zinc/65/09/58/947650958.db2.gz SAABLXFCQHBJIF-UONOGXRCSA-N 0 1 381.444 1.004 20 0 GDADMN C=Cc1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001573356643 947652951 /nfs/dbraw/zinc/65/29/51/947652951.db2.gz ZNLXJHDDVPWSHI-UHFFFAOYSA-N 0 1 376.424 1.699 20 0 GDADMN Cc1c(Cl)cnc(N2CCCN(Cc3cnn(C)c3)CC2)c1-c1nn[nH]n1 ZINC000826237866 947697286 /nfs/dbraw/zinc/69/72/86/947697286.db2.gz NXYGEISJZKWAAO-UHFFFAOYSA-N 0 1 387.879 1.669 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573625195 947698437 /nfs/dbraw/zinc/69/84/37/947698437.db2.gz NPOAHCMJQREXFL-QWHCGFSZSA-N 0 1 381.415 1.639 20 0 GDADMN CC(=O)CCCC(=O)N(C)C[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573367953 947765625 /nfs/dbraw/zinc/76/56/25/947765625.db2.gz JQJWTUDVSIBSBZ-LBPRGKRZSA-N 0 1 376.436 1.702 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001573628951 947769662 /nfs/dbraw/zinc/76/96/62/947769662.db2.gz PIQVPTZKSNVHSB-ZIAGYGMSSA-N 0 1 381.440 1.873 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573372791 947782519 /nfs/dbraw/zinc/78/25/19/947782519.db2.gz CMNPIEJYSPHLMF-UONOGXRCSA-N 0 1 386.460 1.019 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573373952 947802138 /nfs/dbraw/zinc/80/21/38/947802138.db2.gz HFWCQXLUAZKSPP-OAHLLOKOSA-N 0 1 385.472 1.805 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573375109 947816348 /nfs/dbraw/zinc/81/63/48/947816348.db2.gz QURLBTWVARSHIK-YOEHRIQHSA-N 0 1 385.472 1.624 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573384638 947906954 /nfs/dbraw/zinc/90/69/54/947906954.db2.gz URNWECJEKCHDFO-CYBMUJFWSA-N 0 1 386.460 1.137 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573651872 947924669 /nfs/dbraw/zinc/92/46/69/947924669.db2.gz QDPILRLLGCFXDA-WOPDTQHZSA-N 0 1 382.453 1.311 20 0 GDADMN C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001573652143 947931481 /nfs/dbraw/zinc/93/14/81/947931481.db2.gz BGOUNIGBCIZORP-ADLMAVQZSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573654282 947965400 /nfs/dbraw/zinc/96/54/00/947965400.db2.gz QLTRYQOZMPGFDZ-CMPLNLGQSA-N 0 1 384.469 1.251 20 0 GDADMN Cc1onc(CC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1-c1nn[nH]n1 ZINC000826344807 948013837 /nfs/dbraw/zinc/01/38/37/948013837.db2.gz SLJAFLZHNQAACL-UHFFFAOYSA-N 0 1 395.467 1.829 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573659469 948015903 /nfs/dbraw/zinc/01/59/03/948015903.db2.gz WFTUBRXUVHMJHV-GFCCVEGCSA-N 0 1 382.428 1.529 20 0 GDADMN Cc1onc(CC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1-c1nnn[n-]1 ZINC000826346372 948037235 /nfs/dbraw/zinc/03/72/35/948037235.db2.gz KYQIKXTXSHNQDF-OAHLLOKOSA-N 0 1 375.477 1.578 20 0 GDADMN Cc1onc(CC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1-c1nn[n-]n1 ZINC000826346372 948037243 /nfs/dbraw/zinc/03/72/43/948037243.db2.gz KYQIKXTXSHNQDF-OAHLLOKOSA-N 0 1 375.477 1.578 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001573665268 948069560 /nfs/dbraw/zinc/06/95/60/948069560.db2.gz JZRYKPBKXIRMOH-WMLDXEAASA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573666255 948084798 /nfs/dbraw/zinc/08/47/98/948084798.db2.gz RNXMUFHROKEILI-LSDHHAIUSA-N 0 1 380.456 1.800 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573670385 948101364 /nfs/dbraw/zinc/10/13/64/948101364.db2.gz BIWJMSHHJVOSDN-NEPJUHHUSA-N 0 1 382.403 1.294 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573670387 948102257 /nfs/dbraw/zinc/10/22/57/948102257.db2.gz BIWJMSHHJVOSDN-RYUDHWBXSA-N 0 1 382.403 1.294 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573673800 948115880 /nfs/dbraw/zinc/11/58/80/948115880.db2.gz LHYWQMJHZLYUMK-HUUCEWRRSA-N 0 1 384.488 1.221 20 0 GDADMN NC(=O)[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388700 948196365 /nfs/dbraw/zinc/19/63/65/948196365.db2.gz HGZWJKHZRUUNBN-WBVHZDCISA-N 0 1 397.870 1.915 20 0 GDADMN NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(CCCn2ccnc2)CC1 ZINC000826389451 948198967 /nfs/dbraw/zinc/19/89/67/948198967.db2.gz YSSAWQYCDZFOJM-GOSISDBHSA-N 0 1 394.483 1.782 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)c1ccco1 ZINC001573692323 948260739 /nfs/dbraw/zinc/26/07/39/948260739.db2.gz ODJLZUMLUCNQEN-LBPRGKRZSA-N 0 1 382.428 1.316 20 0 GDADMN O=C(NCCc1nc[nH]n1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1 ZINC000826439659 948297654 /nfs/dbraw/zinc/29/76/54/948297654.db2.gz DTLZEMHCWNFCMF-UHFFFAOYSA-N 0 1 399.806 1.188 20 0 GDADMN C[C@H](C(=O)NC[C@@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573695613 948307104 /nfs/dbraw/zinc/30/71/04/948307104.db2.gz HNWYVEVXKRQYDE-BUXKBTBVSA-N 0 1 388.447 1.105 20 0 GDADMN C[C@H](C(=O)NC[C@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573695617 948307795 /nfs/dbraw/zinc/30/77/95/948307795.db2.gz HNWYVEVXKRQYDE-HXPMCKFVSA-N 0 1 388.447 1.105 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C(=O)[O-] ZINC001602757171 971470370 /nfs/dbraw/zinc/47/03/70/971470370.db2.gz CYYAJDIYOYEMQS-ZYHUDNBSSA-N 0 1 381.420 1.446 20 0 GDADMN O=S(=O)(Nc1ccc(-c2nn[nH]n2)cn1)c1ccc(OCC(F)F)cc1 ZINC000826492485 948406490 /nfs/dbraw/zinc/40/64/90/948406490.db2.gz NCYSFFQZMCJBKW-UHFFFAOYSA-N 0 1 382.352 1.706 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573707501 948433139 /nfs/dbraw/zinc/43/31/39/948433139.db2.gz POEJMUDPJPZVGK-UONOGXRCSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573707501 948433143 /nfs/dbraw/zinc/43/31/43/948433143.db2.gz POEJMUDPJPZVGK-UONOGXRCSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573707501 948433148 /nfs/dbraw/zinc/43/31/48/948433148.db2.gz POEJMUDPJPZVGK-UONOGXRCSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573707501 948433154 /nfs/dbraw/zinc/43/31/54/948433154.db2.gz POEJMUDPJPZVGK-UONOGXRCSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573714990 948480406 /nfs/dbraw/zinc/48/04/06/948480406.db2.gz MMTSQUZJEJMOSM-GJZGRUSLSA-N 0 1 380.456 1.657 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573714984 948480488 /nfs/dbraw/zinc/48/04/88/948480488.db2.gz MLDXWGZBXSRVQZ-ZIAGYGMSSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H](C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001573731799 948596838 /nfs/dbraw/zinc/59/68/38/948596838.db2.gz ZEINRHDOSRQYOH-LBPRGKRZSA-N 0 1 390.451 1.839 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CCCC1 ZINC001573740656 948639481 /nfs/dbraw/zinc/63/94/81/948639481.db2.gz MGNPNQNCZRJIRX-FSPWUOQZSA-N 0 1 384.484 1.354 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573740820 948642908 /nfs/dbraw/zinc/64/29/08/948642908.db2.gz TVNOKADDCOKAHO-NZPGVSJUSA-N 0 1 392.467 1.546 20 0 GDADMN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573741007 948647436 /nfs/dbraw/zinc/64/74/36/948647436.db2.gz WRLXFRDDQMKTOH-LOWDOPEQSA-N 0 1 380.412 1.279 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573746470 948682049 /nfs/dbraw/zinc/68/20/49/948682049.db2.gz KCDVYBGVNWJFFV-IJLUTSLNSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccccc1F ZINC001573746880 948686123 /nfs/dbraw/zinc/68/61/23/948686123.db2.gz MKPQXGNLUQGPFA-UPJWGTAASA-N 0 1 381.415 1.686 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573748974 948699329 /nfs/dbraw/zinc/69/93/29/948699329.db2.gz XUKYSOSYBSCHNR-NQBHXWOUSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@@H](C)C(C)(C)C ZINC001573752507 948714688 /nfs/dbraw/zinc/71/46/88/948714688.db2.gz NOYFNQFHTNSDNE-NTASLKFISA-N 0 1 384.488 1.526 20 0 GDADMN C[C@H](CNC(=O)CCc1cccc(F)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574914318 948748257 /nfs/dbraw/zinc/74/82/57/948748257.db2.gz IIQGBVZUOBOWCX-LLVKDONJSA-N 0 1 387.394 1.511 20 0 GDADMN CC(F)(F)C1(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001575221691 948752722 /nfs/dbraw/zinc/75/27/22/948752722.db2.gz BCAXRYNDNSWORA-UHFFFAOYSA-N 0 1 376.411 1.850 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575223303 948763090 /nfs/dbraw/zinc/76/30/90/948763090.db2.gz NKLWARYSGXODPO-RYUDHWBXSA-N 0 1 391.426 1.958 20 0 GDADMN C[C@H](CNC(=O)CCc1ccccc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574915480 948767445 /nfs/dbraw/zinc/76/74/45/948767445.db2.gz VGSXYLLXTPXRBG-LBPRGKRZSA-N 0 1 384.419 1.015 20 0 GDADMN C[C@H](C(=O)Nc1cnn([C@H](C)c2ccccc2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755676 948777774 /nfs/dbraw/zinc/77/77/74/948777774.db2.gz SDIMYDRIGCHXDO-VXGBXAGGSA-N 0 1 378.400 1.464 20 0 GDADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001573755851 948785920 /nfs/dbraw/zinc/78/59/20/948785920.db2.gz UAMRKBUBKUSFCR-LOWVWBTDSA-N 0 1 388.497 1.855 20 0 GDADMN CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001575225144 948797607 /nfs/dbraw/zinc/79/76/07/948797607.db2.gz XFCLGUWDPACIHA-OLZOCXBDSA-N 0 1 377.399 1.568 20 0 GDADMN C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2)C(C)(F)F ZINC001573756183 948801865 /nfs/dbraw/zinc/80/18/65/948801865.db2.gz NEUXNKCQMOKUFC-RLFDGXBXSA-N 0 1 392.414 1.423 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574422369 948835603 /nfs/dbraw/zinc/83/56/03/948835603.db2.gz ZORHKMCHPWNFFM-NSHDSACASA-N 0 1 390.469 1.525 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573761286 948839250 /nfs/dbraw/zinc/83/92/50/948839250.db2.gz GCZXMURKUNLFMO-NSHDSACASA-N 0 1 379.415 1.625 20 0 GDADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918790 948859385 /nfs/dbraw/zinc/85/93/85/948859385.db2.gz QLYVQRQYBKZKBK-CQSZACIVSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918790 948859407 /nfs/dbraw/zinc/85/94/07/948859407.db2.gz QLYVQRQYBKZKBK-CQSZACIVSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cn1ccnc1 ZINC001574684105 948860203 /nfs/dbraw/zinc/86/02/03/948860203.db2.gz BWXUHPNHAQOYBQ-QMMMGPOBSA-N 0 1 381.853 1.180 20 0 GDADMN CC[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001589565691 948864794 /nfs/dbraw/zinc/86/47/94/948864794.db2.gz ZBZKENMDFIDWRR-QKLQHJQFSA-N 0 1 376.453 1.416 20 0 GDADMN CC[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001589565691 948864812 /nfs/dbraw/zinc/86/48/12/948864812.db2.gz ZBZKENMDFIDWRR-QKLQHJQFSA-N 0 1 376.453 1.416 20 0 GDADMN CC(C)c1ncc(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001574427497 948904642 /nfs/dbraw/zinc/90/46/42/948904642.db2.gz GEWIDJFZUJQYOZ-JTQLQIEISA-N 0 1 387.473 1.231 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C[C@@H]1CCCO1 ZINC001574685658 948915040 /nfs/dbraw/zinc/91/50/40/948915040.db2.gz YOMOGAWZUDFUNB-BDAKNGLRSA-N 0 1 385.881 1.852 20 0 GDADMN CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001574428083 948923619 /nfs/dbraw/zinc/92/36/19/948923619.db2.gz ZQBJECQIAWJOHZ-MGCOHNPYSA-N 0 1 385.457 1.031 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573772890 948970781 /nfs/dbraw/zinc/97/07/81/948970781.db2.gz XWWCRLFZXSSDLQ-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574925828 948979321 /nfs/dbraw/zinc/97/93/21/948979321.db2.gz DZOVXOSZDFSZEC-AWEZNQCLSA-N 0 1 380.456 1.339 20 0 GDADMN C[C@H](Oc1cccnc1)C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575501468 949014071 /nfs/dbraw/zinc/01/40/71/949014071.db2.gz HWWVSESTTSNLOH-AWEZNQCLSA-N 0 1 381.440 1.277 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091915 949038635 /nfs/dbraw/zinc/03/86/35/949038635.db2.gz MUHGUJOIWIYIDT-CABCVRRESA-N 0 1 384.488 1.411 20 0 GDADMN CC(C)(C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573775671 949048638 /nfs/dbraw/zinc/04/86/38/949048638.db2.gz ZVOUTJHWFRUNEQ-MRXNPFEDSA-N 0 1 384.488 1.443 20 0 GDADMN CC(C)c1occc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441686 949072898 /nfs/dbraw/zinc/07/28/98/949072898.db2.gz SDZILZRLUQSJJG-LBPRGKRZSA-N 0 1 382.428 1.369 20 0 GDADMN CC(C)(C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573780380 949095791 /nfs/dbraw/zinc/09/57/91/949095791.db2.gz XRJXKSSWEJBIEP-UHFFFAOYSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@H](CNC(=O)COC1CCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574930222 949105581 /nfs/dbraw/zinc/10/55/81/949105581.db2.gz JYHWQSYFIJVFQS-GFCCVEGCSA-N 0 1 376.436 1.559 20 0 GDADMN CC(C)(C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573781629 949112840 /nfs/dbraw/zinc/11/28/40/949112840.db2.gz LENSLESXESRVGF-SNVBAGLBSA-N 0 1 380.403 1.281 20 0 GDADMN CC(C)c1occc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574446211 949125614 /nfs/dbraw/zinc/12/56/14/949125614.db2.gz KBQSUFCVZOEYFM-UHFFFAOYSA-N 0 1 382.428 1.560 20 0 GDADMN C[C@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575251287 949135375 /nfs/dbraw/zinc/13/53/75/949135375.db2.gz AHYQGPZTSYSIAX-UONOGXRCSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)c1ocnc1C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001574447078 949149222 /nfs/dbraw/zinc/14/92/22/949149222.db2.gz FLESOEJLWJOLTI-LBPRGKRZSA-N 0 1 382.428 1.512 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)Cc2cncs2)CC1 ZINC001575853856 949217795 /nfs/dbraw/zinc/21/77/95/949217795.db2.gz OBMDDVCCDFXOQX-UHFFFAOYSA-N 0 1 384.469 1.176 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574699086 949230252 /nfs/dbraw/zinc/23/02/52/949230252.db2.gz SGXPASJORYHGEC-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574699086 949230271 /nfs/dbraw/zinc/23/02/71/949230271.db2.gz SGXPASJORYHGEC-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001589605169 949244387 /nfs/dbraw/zinc/24/43/87/949244387.db2.gz LSKQVSNDHKLBJQ-SJCJKPOMSA-N 0 1 383.470 1.238 20 0 GDADMN C[C@H]1CCC[C@H](C(=O)N2CCC(N(C)c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576152205 949245119 /nfs/dbraw/zinc/24/51/19/949245119.db2.gz IZNLLCJYOGKZEA-KBPBESRZSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](c1ncccn1)N1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 ZINC001575521224 949260239 /nfs/dbraw/zinc/26/02/39/949260239.db2.gz DRFYKXBWWASHDQ-FRRDWIJNSA-N 0 1 381.444 1.044 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001589605878 949265753 /nfs/dbraw/zinc/26/57/53/949265753.db2.gz YNVJRCWGTXHHDH-PBHICJAKSA-N 0 1 390.546 1.565 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001574452957 949276085 /nfs/dbraw/zinc/27/60/85/949276085.db2.gz SNYZXAWSYZYONK-CYBMUJFWSA-N 0 1 386.485 1.710 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001574452957 949276106 /nfs/dbraw/zinc/27/61/06/949276106.db2.gz SNYZXAWSYZYONK-CYBMUJFWSA-N 0 1 386.485 1.710 20 0 GDADMN C[C@@H](c1ncccn1)N1CC[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522545 949283115 /nfs/dbraw/zinc/28/31/15/949283115.db2.gz MOGKVSVGVKZOTB-QWHCGFSZSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574941236 949301785 /nfs/dbraw/zinc/30/17/85/949301785.db2.gz PRFPIAHSMGBJOU-ZDUSSCGKSA-N 0 1 392.467 1.117 20 0 GDADMN C[C@H](NC(=O)[C@H]1CCC1(F)F)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575259937 949341926 /nfs/dbraw/zinc/34/19/26/949341926.db2.gz SPYGEEXKVLWCLO-JOYOIKCWSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccco1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942322 949347138 /nfs/dbraw/zinc/34/71/38/949347138.db2.gz YLMOKWSQPMOOFQ-QMMMGPOBSA-N 0 1 381.849 1.753 20 0 GDADMN C[C@@H]1CCC[C@H](OCC(=O)NCCNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576154622 949347911 /nfs/dbraw/zinc/34/79/11/949347911.db2.gz QIQIVDIYSJLKPB-CJNGLKHVSA-N 0 1 390.463 1.807 20 0 GDADMN CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574110136 949349913 /nfs/dbraw/zinc/34/99/13/949349913.db2.gz RCADUOXJDOWVRH-TZMCWYRMSA-N 0 1 378.502 1.680 20 0 GDADMN CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574110136 949349936 /nfs/dbraw/zinc/34/99/36/949349936.db2.gz RCADUOXJDOWVRH-TZMCWYRMSA-N 0 1 378.502 1.680 20 0 GDADMN CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001573799391 949367671 /nfs/dbraw/zinc/36/76/71/949367671.db2.gz LZZTZGAPSUGKTF-SFYZADRCSA-N 0 1 385.881 1.079 20 0 GDADMN CC(C)n1ccc(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574460145 949370591 /nfs/dbraw/zinc/37/05/91/949370591.db2.gz QEJOCVPTBFAPKP-NNUKFRKNSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264389 949423633 /nfs/dbraw/zinc/42/36/33/949423633.db2.gz NYTFRCKWBCCMMF-BXUZGUMPSA-N 0 1 376.486 1.434 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706849 949462687 /nfs/dbraw/zinc/46/26/87/949462687.db2.gz MYNRYWLTFVFOGO-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706849 949462700 /nfs/dbraw/zinc/46/27/00/949462700.db2.gz MYNRYWLTFVFOGO-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@@H](NC(=O)CC(C)(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575266586 949485950 /nfs/dbraw/zinc/48/59/50/949485950.db2.gz ZSQWSRLUWPVZNX-SNVBAGLBSA-N 0 1 382.390 1.988 20 0 GDADMN CC(C)CC(=O)NC[C@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)CCO1 ZINC001574121409 949513793 /nfs/dbraw/zinc/51/37/93/949513793.db2.gz QBHMTMZFWFXDEQ-VIFPVBQESA-N 0 1 385.881 1.344 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575871933 949523013 /nfs/dbraw/zinc/52/30/13/949523013.db2.gz DBTPDFRNUVYXED-ZYHUDNBSSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574471857 949537947 /nfs/dbraw/zinc/53/79/47/949537947.db2.gz NSBJDNGXIDKNRT-PNESKVBLSA-N 0 1 382.428 1.267 20 0 GDADMN CC(C)CC(=O)NCc1ccc(CCNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001574123138 949539818 /nfs/dbraw/zinc/53/98/18/949539818.db2.gz IPFHQWYLIPWYGP-UHFFFAOYSA-N 0 1 380.456 1.396 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccncn1 ZINC001573811144 949590465 /nfs/dbraw/zinc/59/04/65/949590465.db2.gz IFIGEIHXMBOHLK-AWEZNQCLSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccncn1 ZINC001573811144 949590484 /nfs/dbraw/zinc/59/04/84/949590484.db2.gz IFIGEIHXMBOHLK-AWEZNQCLSA-N 0 1 386.485 1.653 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574957002 949593837 /nfs/dbraw/zinc/59/38/37/949593837.db2.gz PKRSMKMFASDYRM-IWSPIJDZSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574957002 949593857 /nfs/dbraw/zinc/59/38/57/949593857.db2.gz PKRSMKMFASDYRM-IWSPIJDZSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574957002 949593872 /nfs/dbraw/zinc/59/38/72/949593872.db2.gz PKRSMKMFASDYRM-IWSPIJDZSA-N 0 1 384.897 1.233 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574957002 949593888 /nfs/dbraw/zinc/59/38/88/949593888.db2.gz PKRSMKMFASDYRM-IWSPIJDZSA-N 0 1 384.897 1.233 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnns1 ZINC001573811318 949595561 /nfs/dbraw/zinc/59/55/61/949595561.db2.gz JYOIKQDMDNOEOZ-GFCCVEGCSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnns1 ZINC001573811318 949595577 /nfs/dbraw/zinc/59/55/77/949595577.db2.gz JYOIKQDMDNOEOZ-GFCCVEGCSA-N 0 1 392.514 1.714 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576167536 949609071 /nfs/dbraw/zinc/60/90/71/949609071.db2.gz QDSUVLCXGKVRRP-GDBMZVCRSA-N 0 1 392.467 1.416 20 0 GDADMN C[C@]1(C(=O)N2CCCCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCOC1 ZINC001575546848 949618607 /nfs/dbraw/zinc/61/86/07/949618607.db2.gz SDFWCEVNQNZPQQ-LIRRHRJNSA-N 0 1 385.472 1.293 20 0 GDADMN C[C@@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575272435 949647100 /nfs/dbraw/zinc/64/71/00/949647100.db2.gz QRUFALZFHZNCLV-HIFRSBDPSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576169040 949662578 /nfs/dbraw/zinc/66/25/78/949662578.db2.gz IAIRIRKSWZTKNW-UONOGXRCSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574958463 949676570 /nfs/dbraw/zinc/67/65/70/949676570.db2.gz KEAQMDRGFRAWJQ-AEGPPILISA-N 0 1 378.440 1.047 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]12C[C@H]1CCCC2 ZINC001573816611 949681415 /nfs/dbraw/zinc/68/14/15/949681415.db2.gz SOURJGIRZUIVQD-QHRIQVFBSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574958624 949685384 /nfs/dbraw/zinc/68/53/84/949685384.db2.gz LPGNUHPBLYZJBT-VHDGCEQUSA-N 0 1 378.440 1.401 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574716431 949692797 /nfs/dbraw/zinc/69/27/97/949692797.db2.gz OJQSEVWBABAWJG-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001574478839 949722393 /nfs/dbraw/zinc/72/23/93/949722393.db2.gz BJIGVWAGJCSJJM-CXAGYDPISA-N 0 1 385.472 1.292 20 0 GDADMN C[C@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576171006 949742248 /nfs/dbraw/zinc/74/22/48/949742248.db2.gz OMPKMCSVEZRCBU-GUYCJALGSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@H](NC(=O)CCc1ccncn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277177 949747127 /nfs/dbraw/zinc/74/71/27/949747127.db2.gz OMPFMRGIXZIAGG-AWEZNQCLSA-N 0 1 392.467 1.226 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(F)cn1 ZINC001573819031 949750777 /nfs/dbraw/zinc/75/07/77/949750777.db2.gz RFPMWKPVLKJWGH-HNNXBMFYSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@@H](NC(=O)COc1ccccc1F)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575281304 949808552 /nfs/dbraw/zinc/80/85/52/949808552.db2.gz FNRQJONGYBKCCT-VXGBXAGGSA-N 0 1 385.403 1.207 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574139528 949821170 /nfs/dbraw/zinc/82/11/70/949821170.db2.gz KCSOBFMXZGJSOO-KGLIPLIRSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@H](CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574483761 949842405 /nfs/dbraw/zinc/84/24/05/949842405.db2.gz LEHWBDNZHNVOPN-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001574483761 949842425 /nfs/dbraw/zinc/84/24/25/949842425.db2.gz LEHWBDNZHNVOPN-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCC1 ZINC001575565953 949889727 /nfs/dbraw/zinc/88/97/27/949889727.db2.gz ZDWLINRCKIDONO-BFHYXJOUSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574484665 949895542 /nfs/dbraw/zinc/89/55/42/949895542.db2.gz LPNPINKIRDWYKJ-QWRGUYRKSA-N 0 1 383.378 1.675 20 0 GDADMN CC(C)(C)/C=C\C(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573826013 949897528 /nfs/dbraw/zinc/89/75/28/949897528.db2.gz DWESNQQPXNAKKG-VSKVDJIOSA-N 0 1 385.472 1.315 20 0 GDADMN C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575569315 949915183 /nfs/dbraw/zinc/91/51/83/949915183.db2.gz IQPARSNOVKYEFV-KRWDZBQOSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@@H](NC(=O)COCC(F)F)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575284806 949917941 /nfs/dbraw/zinc/91/79/41/949917941.db2.gz WRTHOBLBQUCFGL-SECBINFHSA-N 0 1 386.428 1.146 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574489640 949966952 /nfs/dbraw/zinc/96/69/52/949966952.db2.gz KBJVNNRYPHUPPR-GIPNMCIBSA-N 0 1 383.378 1.531 20 0 GDADMN CC1(C(=O)NC[C@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)CC(F)(F)C1 ZINC001575572100 949968119 /nfs/dbraw/zinc/96/81/19/949968119.db2.gz DFIPHIYQIMYHIV-ZDUSSCGKSA-N 0 1 377.399 1.426 20 0 GDADMN CC(C)(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573830655 949982443 /nfs/dbraw/zinc/98/24/43/949982443.db2.gz NCRKQKGFURGYTC-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573830655 949982457 /nfs/dbraw/zinc/98/24/57/949982457.db2.gz NCRKQKGFURGYTC-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H]1CCN(C(=O)CCCC2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182036 950032718 /nfs/dbraw/zinc/03/27/18/950032718.db2.gz KQCIYSWXUSWTFF-DZGCQCFKSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cnoc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574730909 950044981 /nfs/dbraw/zinc/04/49/81/950044981.db2.gz SQNGPFNABRAMBY-SSDOTTSWSA-N 0 1 382.837 1.466 20 0 GDADMN C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574492002 950056336 /nfs/dbraw/zinc/05/63/36/950056336.db2.gz IEHCOBVRRGDMFP-KPZWWZAWSA-N 0 1 382.428 1.529 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182738 950063858 /nfs/dbraw/zinc/06/38/58/950063858.db2.gz PDPBIAYDVNIIMF-OCCSQVGLSA-N 0 1 382.428 1.415 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575894589 950106418 /nfs/dbraw/zinc/10/64/18/950106418.db2.gz FJRGXTIMFARJTF-MWLCHTKSSA-N 0 1 388.819 1.690 20 0 GDADMN C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183942 950109973 /nfs/dbraw/zinc/10/99/73/950109973.db2.gz SHWAVNLRJVGCQE-ZBFHGGJFSA-N 0 1 392.467 1.274 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574152738 950117936 /nfs/dbraw/zinc/11/79/36/950117936.db2.gz JAKLKJRWTXVXKC-GOEBONIOSA-N 0 1 386.504 1.546 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574152738 950117946 /nfs/dbraw/zinc/11/79/46/950117946.db2.gz JAKLKJRWTXVXKC-GOEBONIOSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cc(F)ccc1Cl ZINC001574977594 950121106 /nfs/dbraw/zinc/12/11/06/950121106.db2.gz MBIVVPBLCFFUJK-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N[C@@H](C)c1ccc(F)cc1F ZINC001574978351 950134355 /nfs/dbraw/zinc/13/43/55/950134355.db2.gz RZJSTOPUULTWON-UWVGGRQHSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cccnn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575899747 950179580 /nfs/dbraw/zinc/17/95/80/950179580.db2.gz YMWUTEHSSMDSPP-XJKSGUPXSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CCCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOC1 ZINC001575584969 950181330 /nfs/dbraw/zinc/18/13/30/950181330.db2.gz UPRMDOPIQBOZJW-AUUYWEPGSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574155548 950195823 /nfs/dbraw/zinc/19/58/23/950195823.db2.gz NIZOXEWLEMZRNF-QWHCGFSZSA-N 0 1 384.444 1.418 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001574497641 950234132 /nfs/dbraw/zinc/23/41/32/950234132.db2.gz ALBXACJNCABYMT-CYBMUJFWSA-N 0 1 378.440 1.333 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574984231 950259898 /nfs/dbraw/zinc/25/98/98/950259898.db2.gz WUBCHZFFSYXBMW-JTQLQIEISA-N 0 1 388.501 1.857 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574984231 950259914 /nfs/dbraw/zinc/25/99/14/950259914.db2.gz WUBCHZFFSYXBMW-JTQLQIEISA-N 0 1 388.501 1.857 20 0 GDADMN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192741 950261207 /nfs/dbraw/zinc/26/12/07/950261207.db2.gz QPURLYYXMRNRPG-OWYFMNJBSA-N 0 1 381.484 1.626 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574498829 950283638 /nfs/dbraw/zinc/28/36/38/950283638.db2.gz PZORIFUEKSLHKP-NHYWBVRUSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001574498688 950284897 /nfs/dbraw/zinc/28/48/97/950284897.db2.gz PRHPCUXNECEONK-ZDUSSCGKSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263156075 950300491 /nfs/dbraw/zinc/30/04/91/950300491.db2.gz FTVCFSWXXPHTCC-OAGGEKHMSA-N 0 1 377.460 1.905 20 0 GDADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159358 950305172 /nfs/dbraw/zinc/30/51/72/950305172.db2.gz GCQYITIHPRIIHI-CJNGLKHVSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159358 950305193 /nfs/dbraw/zinc/30/51/93/950305193.db2.gz GCQYITIHPRIIHI-CJNGLKHVSA-N 0 1 389.508 1.186 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC001576193938 950320806 /nfs/dbraw/zinc/32/08/06/950320806.db2.gz WOXTVRMCDAOOAC-DYVFJYSZSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC001576193938 950320828 /nfs/dbraw/zinc/32/08/28/950320828.db2.gz WOXTVRMCDAOOAC-DYVFJYSZSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906922 950322168 /nfs/dbraw/zinc/32/21/68/950322168.db2.gz KPZOOICXJQQSGV-ZWNOBZJWSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(F)cn1 ZINC001575906922 950322188 /nfs/dbraw/zinc/32/21/88/950322188.db2.gz KPZOOICXJQQSGV-ZWNOBZJWSA-N 0 1 387.444 1.855 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCc2cc(-c3nn[nH]n3)ccn2)C1 ZINC001573853722 950331669 /nfs/dbraw/zinc/33/16/69/950331669.db2.gz UQNLVSIMWVGYRM-GOSISDBHSA-N 0 1 389.460 1.113 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575597029 950397725 /nfs/dbraw/zinc/39/77/25/950397725.db2.gz LHQKBPQWNZFHNY-VEVIJQCQSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575597029 950397749 /nfs/dbraw/zinc/39/77/49/950397749.db2.gz LHQKBPQWNZFHNY-VEVIJQCQSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)Cc1ccc(F)c(F)c1 ZINC001574991322 950399622 /nfs/dbraw/zinc/39/96/22/950399622.db2.gz KCUDBNCODIPPCT-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576198352 950405174 /nfs/dbraw/zinc/40/51/74/950405174.db2.gz SDWPGGJUVQNPRQ-KBPBESRZSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576198352 950405191 /nfs/dbraw/zinc/40/51/91/950405191.db2.gz SDWPGGJUVQNPRQ-KBPBESRZSA-N 0 1 387.463 1.751 20 0 GDADMN CC(C)(C)OC(=O)NC1(C(=O)Nc2nc3cc(-c4nn[nH]n4)ccc3[nH]2)CC1 ZINC001573860994 950430060 /nfs/dbraw/zinc/43/00/60/950430060.db2.gz OFDWHIMKOXQXOM-UHFFFAOYSA-N 0 1 384.400 1.739 20 0 GDADMN C[C@@H](CC(=O)NCCN(C)Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cccn1 ZINC001574508666 950480870 /nfs/dbraw/zinc/48/08/70/950480870.db2.gz LMQPNZDGHQOCBN-ZDUSSCGKSA-N 0 1 386.435 1.402 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N[C@H]1CCc2c1c(F)ccc2F ZINC001574994485 950484547 /nfs/dbraw/zinc/48/45/47/950484547.db2.gz RXQPSEPBUBAPMA-OTYXRUKQSA-N 0 1 387.394 1.868 20 0 GDADMN CC(C)(C)OCC(=O)N1CCCC[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001573866527 950505846 /nfs/dbraw/zinc/50/58/46/950505846.db2.gz GHMHXENMKIPDDO-AWEZNQCLSA-N 0 1 387.488 1.682 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575615598 950570799 /nfs/dbraw/zinc/57/07/99/950570799.db2.gz CSDABZWJHSBAJR-GFCCVEGCSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575615875 950582365 /nfs/dbraw/zinc/58/23/65/950582365.db2.gz JQWTUTKMYFJWBD-LBPRGKRZSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(F)F)ncn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575000007 950591350 /nfs/dbraw/zinc/59/13/50/950591350.db2.gz ODASOHYKXUCVJQ-SECBINFHSA-N 0 1 389.370 1.244 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(=O)[nH]c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574755752 950595252 /nfs/dbraw/zinc/59/52/52/950595252.db2.gz VFPISDOHLMYJAA-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001575919364 950608532 /nfs/dbraw/zinc/60/85/32/950608532.db2.gz HAPNOXNDHBCURI-YPMHNXCESA-N 0 1 384.469 1.174 20 0 GDADMN CC1(C)C(C(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001575620239 950626304 /nfs/dbraw/zinc/62/63/04/950626304.db2.gz UQAHGQUXOYOKLS-VXGBXAGGSA-N 0 1 384.488 1.600 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573873576 950648162 /nfs/dbraw/zinc/64/81/62/950648162.db2.gz ROSUMEZJKQTPFA-OCAPTIKFSA-N 0 1 385.881 1.851 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573873620 950654137 /nfs/dbraw/zinc/65/41/37/950654137.db2.gz UYHOWDSYUPLADT-ZACQAIPSSA-N 0 1 384.484 1.903 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc2ccccc12 ZINC001575924316 950672307 /nfs/dbraw/zinc/67/23/07/950672307.db2.gz SBTRODPOKPDXNS-BXUZGUMPSA-N 0 1 390.407 1.540 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925193 950679773 /nfs/dbraw/zinc/67/97/73/950679773.db2.gz GPASDOHIRFTCKB-BXUZGUMPSA-N 0 1 391.439 1.066 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760800 950680947 /nfs/dbraw/zinc/68/09/47/950680947.db2.gz LGAPFQHBWMJJBJ-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574760800 950680956 /nfs/dbraw/zinc/68/09/56/950680956.db2.gz LGAPFQHBWMJJBJ-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CCCC2)C1 ZINC001575625866 950700377 /nfs/dbraw/zinc/70/03/77/950700377.db2.gz ZDCJDIBEKGISQJ-AWEZNQCLSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574763459 950713995 /nfs/dbraw/zinc/71/39/95/950713995.db2.gz BJQFTEBTSVUVIV-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnc2n1CCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574763459 950714013 /nfs/dbraw/zinc/71/40/13/950714013.db2.gz BJQFTEBTSVUVIV-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN CC1(C)CC(C(=O)NC[C@@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575629372 950735755 /nfs/dbraw/zinc/73/57/55/950735755.db2.gz NJUWHYJJHLPVKX-ZDUSSCGKSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC001575927111 950736107 /nfs/dbraw/zinc/73/61/07/950736107.db2.gz NMJUUAZXKPROCD-DYVFJYSZSA-N 0 1 392.467 1.465 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001575927762 950755370 /nfs/dbraw/zinc/75/53/70/950755370.db2.gz UBENQMPKKWEMPN-CJNGLKHVSA-N 0 1 378.440 1.113 20 0 GDADMN CC1(C)CC(CC(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575630779 950771300 /nfs/dbraw/zinc/77/13/00/950771300.db2.gz IGANEEWOWSRIRZ-IBGZPJMESA-N 0 1 384.488 1.555 20 0 GDADMN CC1(C)CC(CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001575632181 950792556 /nfs/dbraw/zinc/79/25/56/950792556.db2.gz DCSMGFBODPMGBE-IAGOWNOFSA-N 0 1 384.484 1.354 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576218792 950794467 /nfs/dbraw/zinc/79/44/67/950794467.db2.gz RPABEUZJPWQUKY-ZJUUUORDSA-N 0 1 380.403 1.019 20 0 GDADMN CC1(C)CC(CC(=O)NC2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001575632487 950799219 /nfs/dbraw/zinc/79/92/19/950799219.db2.gz JMWGXIVDQFLZHH-UHFFFAOYSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)CCCC(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574188651 950853284 /nfs/dbraw/zinc/85/32/84/950853284.db2.gz YPZKPSPACFXBJR-OAHLLOKOSA-N 0 1 387.488 1.539 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)CCc1cn[nH]c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574524363 950856668 /nfs/dbraw/zinc/85/66/68/950856668.db2.gz VWXSZOFQGSMMNL-NEPJUHHUSA-N 0 1 388.501 1.657 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)CCc1cn[nH]c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574524363 950856690 /nfs/dbraw/zinc/85/66/90/950856690.db2.gz VWXSZOFQGSMMNL-NEPJUHHUSA-N 0 1 388.501 1.657 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574767826 950870949 /nfs/dbraw/zinc/87/09/49/950870949.db2.gz QTNPOSJYHKJTMJ-SNVBAGLBSA-N 0 1 384.469 1.590 20 0 GDADMN CC(C)(CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573893435 950885020 /nfs/dbraw/zinc/88/50/20/950885020.db2.gz FZNIIKRCUSMVGC-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574527493 950889646 /nfs/dbraw/zinc/88/96/46/950889646.db2.gz CMYQEOIDBCDJMY-OLZOCXBDSA-N 0 1 381.440 1.654 20 0 GDADMN C[C@H]1[C@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c[nH]nc21 ZINC001575936446 950912466 /nfs/dbraw/zinc/91/24/66/950912466.db2.gz DVPNGPAZIMYZII-XHDPSFHLSA-N 0 1 389.423 1.853 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccc1[O-] ZINC001574527995 950920608 /nfs/dbraw/zinc/92/06/08/950920608.db2.gz JNFPVKQZSYWPFB-WDEREUQCSA-N 0 1 387.469 1.716 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ncccc1O 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COCC(=O)N1CCC2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001571122788 952526234 /nfs/dbraw/zinc/52/62/34/952526234.db2.gz LEXWOSSMZREZSX-UHFFFAOYSA-N 0 1 376.486 1.389 20 0 GDADMN COCC(=O)N1CCC2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001571122788 952526237 /nfs/dbraw/zinc/52/62/37/952526237.db2.gz LEXWOSSMZREZSX-UHFFFAOYSA-N 0 1 376.486 1.389 20 0 GDADMN C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123132 952529635 /nfs/dbraw/zinc/52/96/35/952529635.db2.gz PYEXGEDMQJFUDV-BYNQJWBRSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123132 952529639 /nfs/dbraw/zinc/52/96/39/952529639.db2.gz PYEXGEDMQJFUDV-BYNQJWBRSA-N 0 1 376.486 1.338 20 0 GDADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1nc(Cl)cs1 ZINC001571123829 952531787 /nfs/dbraw/zinc/53/17/87/952531787.db2.gz WOAVUULHRHAPET-OCAPTIKFSA-N 0 1 376.833 1.166 20 0 GDADMN CO[C@@H](C)C(=O)N1CC[C@H](CN(C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571123702 952532740 /nfs/dbraw/zinc/53/27/40/952532740.db2.gz UMYYOIGJWOSHPR-QWHCGFSZSA-N 0 1 376.436 1.321 20 0 GDADMN Cc1cnc(C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571134094 952584611 /nfs/dbraw/zinc/58/46/11/952584611.db2.gz DNKSREMFSQZXCX-OAHLLOKOSA-N 0 1 378.440 1.217 20 0 GDADMN CCc1cccnc1C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571134240 952587137 /nfs/dbraw/zinc/58/71/37/952587137.db2.gz CXDGHYSICRXAHP-MQMHXKEQSA-N 0 1 378.440 1.262 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cccnn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571134343 952590015 /nfs/dbraw/zinc/59/00/15/952590015.db2.gz DLFZCUNCNBIXAK-CZUORRHYSA-N 0 1 378.440 1.440 20 0 GDADMN Cc1ccncc1CN1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001571134460 952590816 /nfs/dbraw/zinc/59/08/16/952590816.db2.gz IJQCLQOJWOHKQD-SUMWQHHRSA-N 0 1 378.440 1.245 20 0 GDADMN Cc1cc(C)cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134716 952593623 /nfs/dbraw/zinc/59/36/23/952593623.db2.gz KIUVALLVKXGOEP-HNNXBMFYSA-N 0 1 378.440 1.412 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571135570 952605574 /nfs/dbraw/zinc/60/55/74/952605574.db2.gz XFMILKGEMUIUNJ-DYVFJYSZSA-N 0 1 378.440 1.440 20 0 GDADMN CCOc1ccccc1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571141289 952632573 /nfs/dbraw/zinc/63/25/73/952632573.db2.gz JOXGEMDBUPPSOX-JOCQHMNTSA-N 0 1 379.424 1.455 20 0 GDADMN O=C(Cc1ccc[nH]1)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571141999 952638436 /nfs/dbraw/zinc/63/84/36/952638436.db2.gz MXFJSLOUZWEZHY-SECBINFHSA-N 0 1 378.849 1.560 20 0 GDADMN O=C(c1ncc[nH]1)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571142348 952640994 /nfs/dbraw/zinc/64/09/94/952640994.db2.gz PULOMPHHACFISF-HOTGVXAUSA-N 0 1 378.440 1.326 20 0 GDADMN CCC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571142804 952645795 /nfs/dbraw/zinc/64/57/95/952645795.db2.gz ZFZPCDREEDSFCM-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN CCC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571142804 952645799 /nfs/dbraw/zinc/64/57/99/952645799.db2.gz ZFZPCDREEDSFCM-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN CCc1cncc(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001571147517 952662800 /nfs/dbraw/zinc/66/28/00/952662800.db2.gz MSQPZIAEJVIEJP-UHFFFAOYSA-N 0 1 379.428 1.013 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)n1 ZINC001571156772 952704799 /nfs/dbraw/zinc/70/47/99/952704799.db2.gz JIWWGSHMIWVSOY-QWHCGFSZSA-N 0 1 379.428 1.147 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571159489 952719852 /nfs/dbraw/zinc/71/98/52/952719852.db2.gz WGXRGNFLGLVPCY-OCCSQVGLSA-N 0 1 380.412 1.299 20 0 GDADMN O=C(Cc1ccccc1)N[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571166727 952764446 /nfs/dbraw/zinc/76/44/46/952764446.db2.gz PDNZARGTPYEQLT-KRWDZBQOSA-N 0 1 380.427 1.939 20 0 GDADMN CCn1cccc1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571169916 952781018 /nfs/dbraw/zinc/78/10/18/952781018.db2.gz QJGVGKTZSNSMAB-CQSZACIVSA-N 0 1 380.456 1.530 20 0 GDADMN Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC001571170098 952782639 /nfs/dbraw/zinc/78/26/39/952782639.db2.gz SRVGHRCQMASNFA-LRDDRELGSA-N 0 1 380.456 1.681 20 0 GDADMN Cc1[nH]ccc1C(=O)NC[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571170905 952790917 /nfs/dbraw/zinc/79/09/17/952790917.db2.gz ZEINPGKICQFHPE-CQSZACIVSA-N 0 1 380.456 1.853 20 0 GDADMN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)[C@H]1CC12CC2 ZINC001571172561 952808474 /nfs/dbraw/zinc/80/84/74/952808474.db2.gz XETJLOGYVWUHCY-XJFOESAGSA-N 0 1 380.456 1.320 20 0 GDADMN CCC(=O)N1C[C@@H](c2ccccc2F)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571178640 952844323 /nfs/dbraw/zinc/84/43/23/952844323.db2.gz PIDHRXSGQPKEHY-WMLDXEAASA-N 0 1 381.415 1.639 20 0 GDADMN CN(C[C@H]1CCN(C(=O)c2ccccc2F)C1)c1ccncc1-c1nn[nH]n1 ZINC001571178947 952850935 /nfs/dbraw/zinc/85/09/35/952850935.db2.gz YSWDQWXGDILJNY-CYBMUJFWSA-N 0 1 381.415 1.999 20 0 GDADMN Cc1ccc(CC(=O)N[C@@H]2C[C@@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571179654 952855661 /nfs/dbraw/zinc/85/56/61/952855661.db2.gz IFTBOQYCLGACBE-HDJSIYSDSA-N 0 1 381.440 1.443 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)Cc3ccoc3)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180433 952858861 /nfs/dbraw/zinc/85/88/61/952858861.db2.gz OLRYQPGEIDVQLA-DZGCQCFKSA-N 0 1 381.440 1.879 20 0 GDADMN Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)Cc2ccoc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180271 952859310 /nfs/dbraw/zinc/85/93/10/952859310.db2.gz OFECGVOMVLZKNH-GDBMZVCRSA-N 0 1 381.440 1.525 20 0 GDADMN Cc1nocc1C(=O)N[C@H]1CC[C@H](C)N(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571180461 952860708 /nfs/dbraw/zinc/86/07/08/952860708.db2.gz OUIQJIABSRIWGN-LRDDRELGSA-N 0 1 381.440 1.946 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)on1 ZINC001571181410 952863930 /nfs/dbraw/zinc/86/39/30/952863930.db2.gz WERLZFQMQNBLRE-CZUORRHYSA-N 0 1 381.440 1.946 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)on1 ZINC001571181408 952864379 /nfs/dbraw/zinc/86/43/79/952864379.db2.gz WERLZFQMQNBLRE-BBRMVZONSA-N 0 1 381.440 1.946 20 0 GDADMN CCCc1n[nH]cc1C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571183543 952880063 /nfs/dbraw/zinc/88/00/63/952880063.db2.gz DFSDVNHOKRQXOJ-GFCCVEGCSA-N 0 1 381.444 1.194 20 0 GDADMN CCc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571183587 952880079 /nfs/dbraw/zinc/88/00/79/952880079.db2.gz FJQOWFXNQGKLPP-AAEUAGOBSA-N 0 1 381.444 1.367 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571183755 952882170 /nfs/dbraw/zinc/88/21/70/952882170.db2.gz IWBJPKSXOKPHJU-CHWSQXEVSA-N 0 1 381.444 1.124 20 0 GDADMN CCc1nc[nH]c1C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183739 952882520 /nfs/dbraw/zinc/88/25/20/952882520.db2.gz ILHZGOVMLHSCKE-GFCCVEGCSA-N 0 1 381.444 1.076 20 0 GDADMN O=C(Cc1ccn[nH]1)N1CCC[C@@H](CCNc2ncccc2-c2nn[nH]n2)C1 ZINC001571188977 952922945 /nfs/dbraw/zinc/92/29/45/952922945.db2.gz LCZCPFAOQXRUDQ-ZDUSSCGKSA-N 0 1 381.444 1.268 20 0 GDADMN Cc1cc(N2CC[C@@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571192169 952947691 /nfs/dbraw/zinc/94/76/91/952947691.db2.gz SJCOKHRLSQGJQE-YCPHGPKFSA-N 0 1 381.484 1.901 20 0 GDADMN Cc1ccc(F)c(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571195481 952976443 /nfs/dbraw/zinc/97/64/43/952976443.db2.gz AKVFZQAVVLFIBQ-GFCCVEGCSA-N 0 1 382.403 1.503 20 0 GDADMN CCc1ncoc1C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571199555 953001528 /nfs/dbraw/zinc/00/15/28/953001528.db2.gz UXVOSHQUAFIBMO-CQSZACIVSA-N 0 1 382.428 1.197 20 0 GDADMN CCCc1occc1C(=O)N1CCC[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 ZINC001571199726 953004332 /nfs/dbraw/zinc/00/43/32/953004332.db2.gz AITISTPEKUTOEC-GFCCVEGCSA-N 0 1 382.428 1.341 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H](F)c1ccccc1 ZINC001571199774 953004406 /nfs/dbraw/zinc/00/44/06/953004406.db2.gz BPTISMBDWNPOEI-ZFWWWQNUSA-N 0 1 382.403 1.453 20 0 GDADMN Cc1cc(CC(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)no1 ZINC001571200565 953010564 /nfs/dbraw/zinc/01/05/64/953010564.db2.gz DTNHKJJJQSAISQ-CYBMUJFWSA-N 0 1 382.428 1.194 20 0 GDADMN Cc1nc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2C)co1 ZINC001571201329 953016214 /nfs/dbraw/zinc/01/62/14/953016214.db2.gz KCKLZHMGHYECMN-WCQYABFASA-N 0 1 382.428 1.394 20 0 GDADMN Cc1cnoc1C(=O)N1CCC[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571202740 953028087 /nfs/dbraw/zinc/02/80/87/953028087.db2.gz XRVBRRCAQULODE-OLZOCXBDSA-N 0 1 382.428 1.333 20 0 GDADMN Cc1conc1C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001571202848 953028639 /nfs/dbraw/zinc/02/86/39/953028639.db2.gz ZNKXBDQNALTQTB-IUODEOHRSA-N 0 1 382.428 1.475 20 0 GDADMN Cc1ccc(CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)o1 ZINC001571202808 953029224 /nfs/dbraw/zinc/02/92/24/953029224.db2.gz YZJIFKIFVDYJDA-CYBMUJFWSA-N 0 1 382.428 1.016 20 0 GDADMN Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)c4ccsn4)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571210351 953071246 /nfs/dbraw/zinc/07/12/46/953071246.db2.gz PNDMSOAABGUPIG-UOJUARBOSA-N 0 1 382.453 1.139 20 0 GDADMN O=C(N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)c1cccs1 ZINC001571210339 953071370 /nfs/dbraw/zinc/07/13/70/953071370.db2.gz PFTGZLMSZRDQKZ-YVEFUNNKSA-N 0 1 382.453 1.650 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001571211732 953080659 /nfs/dbraw/zinc/08/06/59/953080659.db2.gz DPOAFHXBLPRPQR-YUELXQCFSA-N 0 1 382.472 1.663 20 0 GDADMN Cc1nc(NC[C@@H]2CCCC[C@H]2NC(=O)c2cnn[nH]2)ccc1-c1nn[nH]n1 ZINC001571212311 953087265 /nfs/dbraw/zinc/08/72/65/953087265.db2.gz LKKAOTNOHWMBCW-WCQYABFASA-N 0 1 382.432 1.089 20 0 GDADMN COc1ccc(F)cc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571217557 953109396 /nfs/dbraw/zinc/10/93/96/953109396.db2.gz NJDXIYXTSJFAIQ-LBPRGKRZSA-N 0 1 383.387 1.158 20 0 GDADMN C[C@H](NC(=O)c1cccn1C)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571229865 953172782 /nfs/dbraw/zinc/17/27/82/953172782.db2.gz PTJIHEMQHRBQCK-LBPRGKRZSA-N 0 1 383.431 1.595 20 0 GDADMN CN(C[C@@H]1CCCN(C(=O)C2=COCCC2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571230413 953176853 /nfs/dbraw/zinc/17/68/53/953176853.db2.gz CQKAWUYUJRLBJP-AWEZNQCLSA-N 0 1 383.456 1.631 20 0 GDADMN CC[C@@H]1CN(C(=O)C2=CCOCC2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571231518 953184704 /nfs/dbraw/zinc/18/47/04/953184704.db2.gz ZGMVUUIGCDVXOS-CZUORRHYSA-N 0 1 383.456 1.069 20 0 GDADMN CCc1ncsc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571233785 953196049 /nfs/dbraw/zinc/19/60/49/953196049.db2.gz DBEPVAOZDQEECE-ZDUSSCGKSA-N 0 1 383.481 1.890 20 0 GDADMN Cc1nsc(C)c1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571234016 953198549 /nfs/dbraw/zinc/19/85/49/953198549.db2.gz KPMOJHLJILLSKE-OAHLLOKOSA-N 0 1 383.481 1.944 20 0 GDADMN Cc1ncccc1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571234216 953199985 /nfs/dbraw/zinc/19/99/85/953199985.db2.gz QADZBXNUDCHZOY-AWEZNQCLSA-N 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1 375.469 1.782 20 0 GDADMN CCO[C@H]1C[C@]([NH2+]CC(=O)Nc2ccsc2C(=O)OC)(C(=O)[O-])C1(C)C ZINC001596833757 985470984 /nfs/dbraw/zinc/47/09/84/985470984.db2.gz QDUBUINEYRYPQG-GTNSWQLSSA-N 0 1 384.454 1.721 20 0 GDADMN CCO[C@@H]1C[C@]([NH2+]CC(=O)NCCCN2CCCCCC2=O)(C(=O)[O-])C1(C)C ZINC001596833944 985473036 /nfs/dbraw/zinc/47/30/36/985473036.db2.gz SSNGNESSGDIZEV-QRWLVFNGSA-N 0 1 397.516 1.143 20 0 GDADMN C[C@H]1CN(C(=O)c2ccc(NCc3cnn(C)c3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC001594492935 985607687 /nfs/dbraw/zinc/60/76/87/985607687.db2.gz JSFJAIGCBFWQTG-HNNXBMFYSA-N 0 1 385.468 1.653 20 0 GDADMN C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3CC2CC2)CC[N@H+]1CCC(=O)[O-] ZINC001594494712 985628215 /nfs/dbraw/zinc/62/82/15/985628215.db2.gz VEVMSMGVTMGZCG-ZDUSSCGKSA-N 0 1 386.452 1.773 20 0 GDADMN CC(C)[C@@H](C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001594496061 985638651 /nfs/dbraw/zinc/63/86/51/985638651.db2.gz HDBKTZIIIYTOJB-IVSAIRAKSA-N 0 1 393.488 1.274 20 0 GDADMN 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C[C@@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)[C@@H](C)C[N@H+]1CCO ZINC001594508710 985757285 /nfs/dbraw/zinc/75/72/85/985757285.db2.gz ZAINANTYUVAGNC-OLZOCXBDSA-N 0 1 395.525 1.651 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1 ZINC001594513703 985801691 /nfs/dbraw/zinc/80/16/91/985801691.db2.gz NYAFVMGGYHVIRR-OAHLLOKOSA-N 0 1 395.500 1.951 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC001594515124 985863756 /nfs/dbraw/zinc/86/37/56/985863756.db2.gz FAFZRTTXDMZJHS-DJIMGWMZSA-N 0 1 376.457 1.492 20 0 GDADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC001594516680 985911254 /nfs/dbraw/zinc/91/12/54/985911254.db2.gz ZQKGGJIVOHDUJV-FHERZECASA-N 0 1 381.517 1.715 20 0 GDADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCC[C@@H]1OCCc2ccccc21 ZINC001594516767 985915298 /nfs/dbraw/zinc/91/52/98/985915298.db2.gz RXYMFEJUNNMRFE-QAPCUYQASA-N 0 1 375.469 1.881 20 0 GDADMN 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0 1 397.431 1.522 20 0 GDADMN COC(=O)c1cc(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc(C(=O)[O-])c1 ZINC001598930318 997738195 /nfs/dbraw/zinc/73/81/95/997738195.db2.gz MLLMRHXMPZKQLD-ZWKOTPCHSA-N 0 1 397.431 1.522 20 0 GDADMN COc1cc(NC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)cc(OC)c1 ZINC001599434167 997813386 /nfs/dbraw/zinc/81/33/86/997813386.db2.gz DSUXGBAKQHTJDP-SFHVURJKSA-N 0 1 379.413 1.097 20 0 GDADMN COc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001599540145 997823471 /nfs/dbraw/zinc/82/34/71/997823471.db2.gz HIQDJOVKDSIYGD-MRXNPFEDSA-N 0 1 377.422 1.124 20 0 GDADMN COc1c(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)cccc1C(=O)[O-] ZINC001599336707 997850437 /nfs/dbraw/zinc/85/04/37/997850437.db2.gz KRFPMQDUGCDFGX-UHFFFAOYSA-N 0 1 377.441 1.570 20 0 GDADMN COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC001599231282 997861161 /nfs/dbraw/zinc/86/11/61/997861161.db2.gz QGUDLONGCMPNIR-UHFFFAOYSA-N 0 1 399.513 1.539 20 0 GDADMN COc1cc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1C(=O)[O-] ZINC001599440068 997916002 /nfs/dbraw/zinc/91/60/02/997916002.db2.gz WTHXDCGLAGJDCM-OAHLLOKOSA-N 0 1 392.456 1.458 20 0 GDADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)cc(C(=O)[O-])c1 ZINC001598938906 997923566 /nfs/dbraw/zinc/92/35/66/997923566.db2.gz HFSHSKJZIPGRFR-JEOXALJRSA-N 0 1 376.409 1.345 20 0 GDADMN COC(=O)c1cc(NC(=O)[C@@H](C)SC[C@@H]2C[N@H+](C)CCO2)cc(C(=O)[O-])c1 ZINC001598939171 997930102 /nfs/dbraw/zinc/93/01/02/997930102.db2.gz IOPWETVDSZIGDB-ABAIWWIYSA-N 0 1 396.465 1.562 20 0 GDADMN COC(=O)c1cc(NC(=O)[C@@H](C)SC[C@@H]2C[N@@H+](C)CCO2)cc(C(=O)[O-])c1 ZINC001598939171 997930113 /nfs/dbraw/zinc/93/01/13/997930113.db2.gz IOPWETVDSZIGDB-ABAIWWIYSA-N 0 1 396.465 1.562 20 0 GDADMN COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001599240687 998035349 /nfs/dbraw/zinc/03/53/49/998035349.db2.gz PODMRMLXZHRZII-LLVKDONJSA-N 0 1 376.862 1.427 20 0 GDADMN COc1cc(OC)c(NC(=O)CC[N@@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1Cl ZINC001599448314 998047325 /nfs/dbraw/zinc/04/73/25/998047325.db2.gz PETOTFZPKWTTTC-MNOVXSKESA-N 0 1 386.832 1.453 20 0 GDADMN COCC[N@H+]1CC[C@@H](NC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001599244113 998108455 /nfs/dbraw/zinc/10/84/55/998108455.db2.gz USUJVXHTKKDYEM-OAHLLOKOSA-N 0 1 375.425 1.693 20 0 GDADMN COCCOC(=O)Nc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001599245757 998140232 /nfs/dbraw/zinc/14/02/32/998140232.db2.gz DNDONISOWVHWBC-CYBMUJFWSA-N 0 1 394.428 1.362 20 0 GDADMN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1C(=O)[O-] ZINC001598952924 998188169 /nfs/dbraw/zinc/18/81/69/998188169.db2.gz BPNWPGMAJBOETJ-HOTGVXAUSA-N 0 1 396.465 1.467 20 0 GDADMN COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1C(=O)[O-] ZINC001598953294 998194463 /nfs/dbraw/zinc/19/44/63/998194463.db2.gz KMMQFZDAMXXEMU-CHWSQXEVSA-N 0 1 398.481 1.713 20 0 GDADMN 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/nfs/dbraw/zinc/77/28/76/602772876.db2.gz AUQRJKBCUOLSKO-DZGCQCFKSA-N 0 1 379.457 1.640 20 0 GDADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740162118 602789180 /nfs/dbraw/zinc/78/91/80/602789180.db2.gz GRMGRFVFCFURHQ-HRCADAONSA-N 0 1 390.484 1.725 20 0 GDADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740162118 602789183 /nfs/dbraw/zinc/78/91/83/602789183.db2.gz GRMGRFVFCFURHQ-HRCADAONSA-N 0 1 390.484 1.725 20 0 GDADMN C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[C@H]1NC(=O)[O-] ZINC000739181730 602799649 /nfs/dbraw/zinc/79/96/49/602799649.db2.gz UACUHOLQWVQVPW-WCQYABFASA-N 0 1 392.847 1.837 20 0 GDADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[C@H]1NC(=O)[O-] ZINC000739181730 602799652 /nfs/dbraw/zinc/79/96/52/602799652.db2.gz UACUHOLQWVQVPW-WCQYABFASA-N 0 1 392.847 1.837 20 0 GDADMN COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCCN(C(=O)[O-])CC2)cc1OC ZINC000739906379 602822089 /nfs/dbraw/zinc/82/20/89/602822089.db2.gz ZWVUQAYNFSVLGK-AWEZNQCLSA-N 0 1 379.457 1.736 20 0 GDADMN COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCCN(C(=O)[O-])CC2)cc1OC ZINC000739906379 602822091 /nfs/dbraw/zinc/82/20/91/602822091.db2.gz ZWVUQAYNFSVLGK-AWEZNQCLSA-N 0 1 379.457 1.736 20 0 GDADMN O=C([O-])N1CC[NH+](CCCNC(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000740430730 602831552 /nfs/dbraw/zinc/83/15/52/602831552.db2.gz CCSIZWJTPFUQEQ-KRWDZBQOSA-N 0 1 389.500 1.640 20 0 GDADMN C[C@H](NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738982719 602833979 /nfs/dbraw/zinc/83/39/79/602833979.db2.gz JNDRMUDQJBPNLN-RDJZCZTQSA-N 0 1 392.504 1.416 20 0 GDADMN C[C@H](NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738982719 602833981 /nfs/dbraw/zinc/83/39/81/602833981.db2.gz JNDRMUDQJBPNLN-RDJZCZTQSA-N 0 1 392.504 1.416 20 0 GDADMN O=C([O-])N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000740430634 602852792 /nfs/dbraw/zinc/85/27/92/602852792.db2.gz AYFQVQQGWSSLTG-JKSUJKDBSA-N 0 1 389.452 1.363 20 0 GDADMN Cc1ccc(C(=O)N2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1NC(=O)[O-] ZINC000830198017 602868735 /nfs/dbraw/zinc/86/87/35/602868735.db2.gz FYKMVYYXFCNKES-DOTOQJQBSA-N 0 1 390.484 1.562 20 0 GDADMN Cc1ccc(C(=O)N2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1NC(=O)[O-] ZINC000830198017 602868737 /nfs/dbraw/zinc/86/87/37/602868737.db2.gz FYKMVYYXFCNKES-DOTOQJQBSA-N 0 1 390.484 1.562 20 0 GDADMN C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000738626494 602872459 /nfs/dbraw/zinc/87/24/59/602872459.db2.gz CMJLMPGZXZXIPA-HNNXBMFYSA-N 0 1 380.464 1.100 20 0 GDADMN C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000738626494 602872464 /nfs/dbraw/zinc/87/24/64/602872464.db2.gz CMJLMPGZXZXIPA-HNNXBMFYSA-N 0 1 380.464 1.100 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000738949580 602874968 /nfs/dbraw/zinc/87/49/68/602874968.db2.gz AGQJUZAKHZVMPJ-LSDHHAIUSA-N 0 1 380.464 1.619 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000738949580 602874971 /nfs/dbraw/zinc/87/49/71/602874971.db2.gz AGQJUZAKHZVMPJ-LSDHHAIUSA-N 0 1 380.464 1.619 20 0 GDADMN C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCN1CCN(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000738949574 602875024 /nfs/dbraw/zinc/87/50/24/602875024.db2.gz AGQJUZAKHZVMPJ-CABCVRRESA-N 0 1 380.464 1.619 20 0 GDADMN C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCN1CCN(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000738949574 602875026 /nfs/dbraw/zinc/87/50/26/602875026.db2.gz AGQJUZAKHZVMPJ-CABCVRRESA-N 0 1 380.464 1.619 20 0 GDADMN COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000739969239 602886334 /nfs/dbraw/zinc/88/63/34/602886334.db2.gz WVUZIUWLFBGADT-RHSMWYFYSA-N 0 1 379.457 1.477 20 0 GDADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000824255713 607594646 /nfs/dbraw/zinc/59/46/46/607594646.db2.gz URWHCXIPLDBHGG-UHFFFAOYSA-N 0 1 396.492 1.747 20 0 GDADMN C[C@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823667888 602945096 /nfs/dbraw/zinc/94/50/96/602945096.db2.gz AGLRWCQZJBAAPG-YTQUADARSA-N 0 1 388.512 1.870 20 0 GDADMN CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1 ZINC000739460670 602955346 /nfs/dbraw/zinc/95/53/46/602955346.db2.gz QERLKVIMWISGBI-MOPGFXCFSA-N 0 1 388.512 1.877 20 0 GDADMN O=C([O-])N1CCC[C@@H](CNC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000740516240 602975256 /nfs/dbraw/zinc/97/52/56/602975256.db2.gz MGQAVSCPTHLFOS-FUHWJXTLSA-N 0 1 390.484 1.437 20 0 GDADMN CC(C)[C@@H](CNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)NC(=O)[O-] ZINC000738786953 602975535 /nfs/dbraw/zinc/97/55/35/602975535.db2.gz SLXZURJQSHLYOP-SJORKVTESA-N 0 1 378.473 1.339 20 0 GDADMN O=C([O-])N1CCCC[C@@H](NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000740517543 602976838 /nfs/dbraw/zinc/97/68/38/602976838.db2.gz GSGASSKRPMRNJX-MSOLQXFVSA-N 0 1 390.484 1.580 20 0 GDADMN CC(C)(CC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)NC(=O)[O-] ZINC000738734625 602991355 /nfs/dbraw/zinc/99/13/55/602991355.db2.gz HBSYUDIPRZRICK-MRXNPFEDSA-N 0 1 390.484 1.436 20 0 GDADMN C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738956185 602999014 /nfs/dbraw/zinc/99/90/14/602999014.db2.gz FQJZFFNJNYLOIX-RYQLBKOJSA-N 0 1 375.469 1.782 20 0 GDADMN C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738956185 602999017 /nfs/dbraw/zinc/99/90/17/602999017.db2.gz FQJZFFNJNYLOIX-RYQLBKOJSA-N 0 1 375.469 1.782 20 0 GDADMN CCCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739348604 603002404 /nfs/dbraw/zinc/00/24/04/603002404.db2.gz FTCUMYVTXFMMPQ-ZWKOTPCHSA-N 0 1 375.469 1.878 20 0 GDADMN CCCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739348604 603002409 /nfs/dbraw/zinc/00/24/09/603002409.db2.gz FTCUMYVTXFMMPQ-ZWKOTPCHSA-N 0 1 375.469 1.878 20 0 GDADMN O=C([O-])N1CCC[C@@H](CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000740425687 603003444 /nfs/dbraw/zinc/00/34/44/603003444.db2.gz USYSPTDAZGLPPF-ZWKOTPCHSA-N 0 1 375.469 1.784 20 0 GDADMN O=C([O-])N1CCC[C@@H](CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000740425687 603003449 /nfs/dbraw/zinc/00/34/49/603003449.db2.gz USYSPTDAZGLPPF-ZWKOTPCHSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1(NC(=O)[O-])CCCCC1 ZINC000738910994 603015293 /nfs/dbraw/zinc/01/52/93/603015293.db2.gz JJACTJHUAXXPLR-MRXNPFEDSA-N 0 1 389.500 1.679 20 0 GDADMN CSCC[C@@H](NC(=O)[O-])C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000740018567 603042097 /nfs/dbraw/zinc/04/20/97/603042097.db2.gz RZAMTUZGKMPSLM-OAHLLOKOSA-N 0 1 386.562 1.442 20 0 GDADMN C[N@@H+](CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000739690410 603051403 /nfs/dbraw/zinc/05/14/03/603051403.db2.gz PSFLRRYSCFHGAG-UHFFFAOYSA-N 0 1 388.346 1.944 20 0 GDADMN CC[C@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000826683758 603058656 /nfs/dbraw/zinc/05/86/56/603058656.db2.gz XVHUTNJEBVYGGS-JCGIZDLHSA-N 0 1 375.469 1.395 20 0 GDADMN CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824284067 607604149 /nfs/dbraw/zinc/60/41/49/607604149.db2.gz BFDGKYREIWVVQU-UHFFFAOYSA-N 0 1 396.492 1.747 20 0 GDADMN CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824284067 607604151 /nfs/dbraw/zinc/60/41/51/607604151.db2.gz BFDGKYREIWVVQU-UHFFFAOYSA-N 0 1 396.492 1.747 20 0 GDADMN CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824284067 607604153 /nfs/dbraw/zinc/60/41/53/607604153.db2.gz BFDGKYREIWVVQU-UHFFFAOYSA-N 0 1 396.492 1.747 20 0 GDADMN CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824284067 607604155 /nfs/dbraw/zinc/60/41/55/607604155.db2.gz BFDGKYREIWVVQU-UHFFFAOYSA-N 0 1 396.492 1.747 20 0 GDADMN CN1CC[NH+](Cc2ccc(CNC(=O)N[C@H](CNC(=O)[O-])C3CC3)cc2)CC1 ZINC000739736976 603078142 /nfs/dbraw/zinc/07/81/42/603078142.db2.gz KPLIDAPEQMLJOX-GOSISDBHSA-N 0 1 389.500 1.279 20 0 GDADMN C[C@@H](NC(=O)NCCCN(C)C(=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738974668 603085448 /nfs/dbraw/zinc/08/54/48/603085448.db2.gz RCJVGXHNBFFWQV-WBVHZDCISA-N 0 1 378.473 1.575 20 0 GDADMN C[C@@H](NC(=O)NCCCN(C)C(=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738974668 603085453 /nfs/dbraw/zinc/08/54/53/603085453.db2.gz RCJVGXHNBFFWQV-WBVHZDCISA-N 0 1 378.473 1.575 20 0 GDADMN CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CC2)cn1 ZINC000739568180 603093551 /nfs/dbraw/zinc/09/35/51/603093551.db2.gz YWLGPGANLRDYHF-INIZCTEOSA-N 0 1 378.477 1.167 20 0 GDADMN CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CC2)cn1 ZINC000739568180 603093556 /nfs/dbraw/zinc/09/35/56/603093556.db2.gz YWLGPGANLRDYHF-INIZCTEOSA-N 0 1 378.477 1.167 20 0 GDADMN CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCN3C(=O)[O-])CC2)cn1 ZINC000739378489 603125510 /nfs/dbraw/zinc/12/55/10/603125510.db2.gz TWPABCNGVAEBQY-KRWDZBQOSA-N 0 1 392.504 1.653 20 0 GDADMN CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCN3C(=O)[O-])CC2)cn1 ZINC000739378489 603125512 /nfs/dbraw/zinc/12/55/12/603125512.db2.gz TWPABCNGVAEBQY-KRWDZBQOSA-N 0 1 392.504 1.653 20 0 GDADMN C[N@H+](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000825941150 607610071 /nfs/dbraw/zinc/61/00/71/607610071.db2.gz AXJPUEBWYWZEPQ-UHFFFAOYSA-N 0 1 384.893 1.673 20 0 GDADMN C[N@@H+](CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000825941150 607610072 /nfs/dbraw/zinc/61/00/72/607610072.db2.gz AXJPUEBWYWZEPQ-UHFFFAOYSA-N 0 1 384.893 1.673 20 0 GDADMN C[C@@H](CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)[N@H+]1CCc2ccccc2C1 ZINC000738910212 603166631 /nfs/dbraw/zinc/16/66/31/603166631.db2.gz HJYQYLGCSSZEND-INIZCTEOSA-N 0 1 388.512 1.624 20 0 GDADMN O=C([O-])N1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000739419384 603254363 /nfs/dbraw/zinc/25/43/63/603254363.db2.gz FTVVFANRKOZPRW-INIZCTEOSA-N 0 1 393.463 1.389 20 0 GDADMN CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000739233918 603274276 /nfs/dbraw/zinc/27/42/76/603274276.db2.gz NTFBTLASUADXFQ-XYJFISCASA-N 0 1 376.501 1.996 20 0 GDADMN CN(C(=O)c1ccc(NC(=O)C(C)(C)NC(=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000737522862 603282064 /nfs/dbraw/zinc/28/20/64/603282064.db2.gz QNWCESWEISCYNI-OAHLLOKOSA-N 0 1 376.457 1.838 20 0 GDADMN O=C([O-])N1CC[C@@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000740488612 603303054 /nfs/dbraw/zinc/30/30/54/603303054.db2.gz HFFHXIOMVFMUBS-QGZVFWFLSA-N 0 1 376.457 1.132 20 0 GDADMN CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C1 ZINC000739361201 603311510 /nfs/dbraw/zinc/31/15/10/603311510.db2.gz DGRMYHBNTYSSAB-AWEZNQCLSA-N 0 1 388.468 1.509 20 0 GDADMN COc1ccc(C[N@H+](C[C@H]2CCN(C(=O)[O-])C2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000739909753 603323502 /nfs/dbraw/zinc/32/35/02/603323502.db2.gz YAQRZLIMSKIPFI-HOTGVXAUSA-N 0 1 382.482 1.684 20 0 GDADMN COc1ccc(C[N@@H+](C[C@H]2CCN(C(=O)[O-])C2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000739909753 603323505 /nfs/dbraw/zinc/32/35/05/603323505.db2.gz YAQRZLIMSKIPFI-HOTGVXAUSA-N 0 1 382.482 1.684 20 0 GDADMN Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000740186907 603332797 /nfs/dbraw/zinc/33/27/97/603332797.db2.gz MUQOMXPDVXFHEK-FUHWJXTLSA-N 0 1 375.469 1.563 20 0 GDADMN CCCN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344137 603365530 /nfs/dbraw/zinc/36/55/30/603365530.db2.gz CSDPRPQUELYTAU-NVXWUHKLSA-N 0 1 381.521 1.329 20 0 GDADMN CCCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344137 603365533 /nfs/dbraw/zinc/36/55/33/603365533.db2.gz CSDPRPQUELYTAU-NVXWUHKLSA-N 0 1 381.521 1.329 20 0 GDADMN C[N@H+]1CCCN(c2ccc(NC(=O)CN(C[C@H]3CCCO3)C(=O)[O-])cc2)CC1 ZINC000739732449 603397803 /nfs/dbraw/zinc/39/78/03/603397803.db2.gz VODQVHNPJNLGGT-GOSISDBHSA-N 0 1 390.484 1.926 20 0 GDADMN C[C@@H](c1ccc(NC(=O)C(=O)N(C)CCCNC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000739057673 603423992 /nfs/dbraw/zinc/42/39/92/603423992.db2.gz MGUKLUUSPQGGRI-AWEZNQCLSA-N 0 1 392.456 1.134 20 0 GDADMN Cc1cc(N2CCC[C@@H](OC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])C2)nc(C)[nH+]1 ZINC000830079198 603440692 /nfs/dbraw/zinc/44/06/92/603440692.db2.gz QVILKIINZADRES-JKSUJKDBSA-N 0 1 392.456 1.764 20 0 GDADMN O=S(=O)(N[C@H]1CCc2c1cccc2O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826489587 607631438 /nfs/dbraw/zinc/63/14/38/607631438.db2.gz UVFVFQJWUYPCEP-ZDUSSCGKSA-N 0 1 393.375 1.816 20 0 GDADMN O=S(=O)(NCC1(O)CCCCCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826490446 607631591 /nfs/dbraw/zinc/63/15/91/607631591.db2.gz VUBZDFPOINYADJ-UHFFFAOYSA-N 0 1 387.412 1.509 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000830573672 603487991 /nfs/dbraw/zinc/48/79/91/603487991.db2.gz RSNHFMXPCGOPEP-LJQANCHMSA-N 0 1 388.512 1.713 20 0 GDADMN C[N@H+](CCN1CCN(C(=O)[O-])CC1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000828315897 603495567 /nfs/dbraw/zinc/49/55/67/603495567.db2.gz ICLOFELWXCMDCH-OAHLLOKOSA-N 0 1 382.411 1.298 20 0 GDADMN C[N@@H+](CCN1CCN(C(=O)[O-])CC1)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000828315897 603495569 /nfs/dbraw/zinc/49/55/69/603495569.db2.gz ICLOFELWXCMDCH-OAHLLOKOSA-N 0 1 382.411 1.298 20 0 GDADMN C[C@@](O)(CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000824671080 607635267 /nfs/dbraw/zinc/63/52/67/607635267.db2.gz WLCOPDFYHCASMB-MRXNPFEDSA-N 0 1 395.391 1.331 20 0 GDADMN COc1ccc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1NC(=O)[O-] ZINC000829459469 603581763 /nfs/dbraw/zinc/58/17/63/603581763.db2.gz CLIZBBPJEPRFCV-SWLSCSKDSA-N 0 1 378.429 1.970 20 0 GDADMN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000826836674 603586616 /nfs/dbraw/zinc/58/66/16/603586616.db2.gz OTUKHWLNDRAUKU-CABCVRRESA-N 0 1 380.489 1.173 20 0 GDADMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000825902658 603590238 /nfs/dbraw/zinc/59/02/38/603590238.db2.gz ZUHFKNNUAYKKJK-IAGOWNOFSA-N 0 1 378.517 1.743 20 0 GDADMN O=C([O-])N1CC2(C1)CC(=O)N(C[NH+]1CCC(Oc3ccc(F)cc3)CC1)C2 ZINC000831859363 603592418 /nfs/dbraw/zinc/59/24/18/603592418.db2.gz ZDTWSVYUQHNGHO-UHFFFAOYSA-N 0 1 377.416 1.839 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827215201 603592768 /nfs/dbraw/zinc/59/27/68/603592768.db2.gz OIGGSCBGTOOBLY-XJKSGUPXSA-N 0 1 376.457 1.896 20 0 GDADMN Cc1nc([C@H]2CCC[N@H+](CN3C[C@@H]4CN(C(=O)[O-])CCN4C3=O)C2)sc1C ZINC000830737571 603601150 /nfs/dbraw/zinc/60/11/50/603601150.db2.gz JYWGPGOJXLFNOQ-GJZGRUSLSA-N 0 1 393.513 1.997 20 0 GDADMN Cc1nc([C@H]2CCC[N@@H+](CN3C[C@@H]4CN(C(=O)[O-])CCN4C3=O)C2)sc1C ZINC000830737571 603601151 /nfs/dbraw/zinc/60/11/51/603601151.db2.gz JYWGPGOJXLFNOQ-GJZGRUSLSA-N 0 1 393.513 1.997 20 0 GDADMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(CN2C[C@H]3CN(C(=O)[O-])CCN3C2=O)C1 ZINC000828382723 603607419 /nfs/dbraw/zinc/60/74/19/603607419.db2.gz KWYLYJXOILZADR-ZWKOTPCHSA-N 0 1 387.484 1.250 20 0 GDADMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CN2C[C@@H]3CN(C(=O)[O-])CCN3C2=O)C1 ZINC000828382717 603607981 /nfs/dbraw/zinc/60/79/81/603607981.db2.gz KWYLYJXOILZADR-MSOLQXFVSA-N 0 1 387.484 1.250 20 0 GDADMN Cc1cc(N2CCC(NC(=O)NC[C@H]3CCCCN3C(=O)[O-])CC2)nc(C)[nH+]1 ZINC000830078493 603638742 /nfs/dbraw/zinc/63/87/42/603638742.db2.gz MJAJGHTZBYGBAH-MRXNPFEDSA-N 0 1 390.488 1.894 20 0 GDADMN CC(C)(CNC(=O)[O-])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000823964941 603652090 /nfs/dbraw/zinc/65/20/90/603652090.db2.gz OZVBZFPJFCRLEM-CQSZACIVSA-N 0 1 376.457 1.616 20 0 GDADMN C[C@@H](CNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000825899639 603689619 /nfs/dbraw/zinc/68/96/19/603689619.db2.gz CYZBISMBKLNOET-KBPBESRZSA-N 0 1 376.457 1.772 20 0 GDADMN C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN(C)C(=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000825918860 603689899 /nfs/dbraw/zinc/68/98/99/603689899.db2.gz IMAOXTMUWNNYPB-CABCVRRESA-N 0 1 390.484 1.972 20 0 GDADMN CCN(Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1)C(=O)[O-] ZINC000827166739 603694322 /nfs/dbraw/zinc/69/43/22/603694322.db2.gz GMHYXOWQOLDIMQ-IAGOWNOFSA-N 0 1 388.468 1.868 20 0 GDADMN CCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN(CC)C(=O)[O-])CC1 ZINC000826920605 603703985 /nfs/dbraw/zinc/70/39/85/603703985.db2.gz IVRLWAJHKKQGHO-UHFFFAOYSA-N 0 1 376.457 1.679 20 0 GDADMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000825924364 603704090 /nfs/dbraw/zinc/70/40/90/603704090.db2.gz HNVZNYZHIKOIFH-HUUCEWRRSA-N 0 1 390.484 1.972 20 0 GDADMN C[C@H]1CCC[N@H+](CC(=O)NCCCN2CCCCCC2=O)[C@@H]1CNC(=O)[O-] ZINC000825925823 603715160 /nfs/dbraw/zinc/71/51/60/603715160.db2.gz SBKKVTFBAMHADA-JKSUJKDBSA-N 0 1 382.505 1.263 20 0 GDADMN C[C@H]1CCC[N@@H+](CC(=O)NCCCN2CCCCCC2=O)[C@@H]1CNC(=O)[O-] ZINC000825925823 603715162 /nfs/dbraw/zinc/71/51/62/603715162.db2.gz SBKKVTFBAMHADA-JKSUJKDBSA-N 0 1 382.505 1.263 20 0 GDADMN CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])c1 ZINC000827265503 603727241 /nfs/dbraw/zinc/72/72/41/603727241.db2.gz LXYIVRSMHSHFPC-CJNGLKHVSA-N 0 1 376.457 1.743 20 0 GDADMN CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])c1 ZINC000827265503 603727244 /nfs/dbraw/zinc/72/72/44/603727244.db2.gz LXYIVRSMHSHFPC-CJNGLKHVSA-N 0 1 376.457 1.743 20 0 GDADMN O=C([O-])NC[C@@H]1CCCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000832551580 603736971 /nfs/dbraw/zinc/73/69/71/603736971.db2.gz PYZJKJIYBXZTQK-KRWDZBQOSA-N 0 1 390.488 1.035 20 0 GDADMN O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000826496477 607649266 /nfs/dbraw/zinc/64/92/66/607649266.db2.gz XQGVWZFMJLYKKP-CYBMUJFWSA-N 0 1 394.476 1.502 20 0 GDADMN O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000826496477 607649267 /nfs/dbraw/zinc/64/92/67/607649267.db2.gz XQGVWZFMJLYKKP-CYBMUJFWSA-N 0 1 394.476 1.502 20 0 GDADMN COc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1NC(=O)[O-] ZINC000829434441 603756351 /nfs/dbraw/zinc/75/63/51/603756351.db2.gz LZIHTANDCBPIHA-CYBMUJFWSA-N 0 1 376.413 1.420 20 0 GDADMN COc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1NC(=O)[O-] ZINC000829434441 603756354 /nfs/dbraw/zinc/75/63/54/603756354.db2.gz LZIHTANDCBPIHA-CYBMUJFWSA-N 0 1 376.413 1.420 20 0 GDADMN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCCN(Cc2cccnc2)C(=O)[O-])C1 ZINC000826043327 603762538 /nfs/dbraw/zinc/76/25/38/603762538.db2.gz YEPBIQISMSHNAG-DOTOQJQBSA-N 0 1 377.489 1.980 20 0 GDADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000824906556 603778545 /nfs/dbraw/zinc/77/85/45/603778545.db2.gz DFXMGMRQEKBXPD-FUHWJXTLSA-N 0 1 389.500 1.639 20 0 GDADMN CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccc(CNC(=O)[O-])cc3)C[C@@H]2C)CC1 ZINC000823562121 603779506 /nfs/dbraw/zinc/77/95/06/603779506.db2.gz RLALZOGHROYISH-KBXCAEBGSA-N 0 1 388.468 1.079 20 0 GDADMN O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000826495245 607649863 /nfs/dbraw/zinc/64/98/63/607649863.db2.gz IIWLILVSODSKQS-CYBMUJFWSA-N 0 1 394.476 1.502 20 0 GDADMN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)C1 ZINC000826040689 603781302 /nfs/dbraw/zinc/78/13/02/603781302.db2.gz CAIBSBAMGWGZKZ-CJNGLKHVSA-N 0 1 392.456 1.116 20 0 GDADMN COc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1NC(=O)[O-] ZINC000829145982 603783106 /nfs/dbraw/zinc/78/31/06/603783106.db2.gz DZWPYNCFSFYYKO-BXUZGUMPSA-N 0 1 378.429 1.569 20 0 GDADMN CC(=O)N1CC[NH+]([C@H]2CN(C(=O)CCCCCCNC(=O)[O-])C[C@@H]2C)CC1 ZINC000823562273 603792925 /nfs/dbraw/zinc/79/29/25/603792925.db2.gz SKEGUMKMUGJVPH-RDJZCZTQSA-N 0 1 382.505 1.216 20 0 GDADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830488947 603796737 /nfs/dbraw/zinc/79/67/37/603796737.db2.gz LGUFKBJDSLCQAC-GJZGRUSLSA-N 0 1 376.457 1.431 20 0 GDADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830488947 603796743 /nfs/dbraw/zinc/79/67/43/603796743.db2.gz LGUFKBJDSLCQAC-GJZGRUSLSA-N 0 1 376.457 1.431 20 0 GDADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827156811 603798258 /nfs/dbraw/zinc/79/82/58/603798258.db2.gz NKFCCUAFVVKBIG-HNNXBMFYSA-N 0 1 379.457 1.736 20 0 GDADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827156811 603798259 /nfs/dbraw/zinc/79/82/59/603798259.db2.gz NKFCCUAFVVKBIG-HNNXBMFYSA-N 0 1 379.457 1.736 20 0 GDADMN CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000828466631 603809031 /nfs/dbraw/zinc/80/90/31/603809031.db2.gz PXRLKNXZKTVONI-WMZOPIPTSA-N 0 1 389.500 1.463 20 0 GDADMN C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000828466631 603809037 /nfs/dbraw/zinc/80/90/37/603809037.db2.gz PXRLKNXZKTVONI-WMZOPIPTSA-N 0 1 389.500 1.463 20 0 GDADMN CCOCC[N@@H+]1CCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C[C@H]1C ZINC000827399590 603813855 /nfs/dbraw/zinc/81/38/55/603813855.db2.gz KPWACXGAPCFWEK-OAHLLOKOSA-N 0 1 375.469 1.361 20 0 GDADMN CCOCC[N@H+]1CCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C[C@H]1C ZINC000827399590 603813859 /nfs/dbraw/zinc/81/38/59/603813859.db2.gz KPWACXGAPCFWEK-OAHLLOKOSA-N 0 1 375.469 1.361 20 0 GDADMN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825220039 607652303 /nfs/dbraw/zinc/65/23/03/607652303.db2.gz OVBYOAHEEYRPHF-RYUDHWBXSA-N 0 1 380.449 1.253 20 0 GDADMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825220039 607652304 /nfs/dbraw/zinc/65/23/04/607652304.db2.gz OVBYOAHEEYRPHF-RYUDHWBXSA-N 0 1 380.449 1.253 20 0 GDADMN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825220039 607652305 /nfs/dbraw/zinc/65/23/05/607652305.db2.gz OVBYOAHEEYRPHF-RYUDHWBXSA-N 0 1 380.449 1.253 20 0 GDADMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825220039 607652306 /nfs/dbraw/zinc/65/23/06/607652306.db2.gz OVBYOAHEEYRPHF-RYUDHWBXSA-N 0 1 380.449 1.253 20 0 GDADMN CN(C(=O)[O-])[C@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000827881661 603841263 /nfs/dbraw/zinc/84/12/63/603841263.db2.gz GWPNIHGTZYOLBO-KRWDZBQOSA-N 0 1 388.468 1.092 20 0 GDADMN 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C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCOCC(F)(F)F ZINC000820788710 606779761 /nfs/dbraw/zinc/77/97/61/606779761.db2.gz MSRLGDJZUCOLBV-NSHDSACASA-N 0 1 386.382 1.136 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCOCC(F)(F)F ZINC000820788710 606779762 /nfs/dbraw/zinc/77/97/62/606779762.db2.gz MSRLGDJZUCOLBV-NSHDSACASA-N 0 1 386.382 1.136 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCCOCC(F)(F)F ZINC000820788710 606779763 /nfs/dbraw/zinc/77/97/63/606779763.db2.gz MSRLGDJZUCOLBV-NSHDSACASA-N 0 1 386.382 1.136 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCCOCC(F)(F)F ZINC000820788710 606779764 /nfs/dbraw/zinc/77/97/64/606779764.db2.gz MSRLGDJZUCOLBV-NSHDSACASA-N 0 1 386.382 1.136 20 0 GDADMN O=C(N1CCNCC1)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000530225203 649968334 /nfs/dbraw/zinc/96/83/34/649968334.db2.gz VPTGKCNROZHLOK-UHFFFAOYSA-N 0 1 385.281 1.731 20 0 GDADMN C[C@H](c1ccccc1)N(CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CC(N)=O ZINC000822006195 606883766 /nfs/dbraw/zinc/88/37/66/606883766.db2.gz YVOKQQSIDGPVFQ-CQSZACIVSA-N 0 1 393.451 1.744 20 0 GDADMN CN(C)c1ncccc1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821591164 606886629 /nfs/dbraw/zinc/88/66/29/606886629.db2.gz ZBKXFURBHWGRIU-UHFFFAOYSA-N 0 1 395.395 1.084 20 0 GDADMN CC1(C)[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H]2CCCO[C@H]21 ZINC000820585891 606893398 /nfs/dbraw/zinc/89/33/98/606893398.db2.gz RDUKBHTUQMKOHV-CUOATXAZSA-N 0 1 399.423 1.627 20 0 GDADMN CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821342297 607121625 /nfs/dbraw/zinc/12/16/25/607121625.db2.gz ATVSWEWQNSEWBY-UHFFFAOYSA-N 0 1 397.804 1.221 20 0 GDADMN Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)cc1C ZINC000822267253 607208250 /nfs/dbraw/zinc/20/82/50/607208250.db2.gz PUMOXLIHCSWSBB-UHFFFAOYSA-N 0 1 391.395 1.901 20 0 GDADMN CC[C@@H](C)[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc2ccccc2[nH]1 ZINC000820859474 607208813 /nfs/dbraw/zinc/20/88/13/607208813.db2.gz DZABNUGTAGSSJY-QMTHXVAHSA-N 0 1 380.416 1.238 20 0 GDADMN CC[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(-c2ccccc2)c[nH]1 ZINC000820913684 607210299 /nfs/dbraw/zinc/21/02/99/607210299.db2.gz JEHOHIFGIPTYOF-GFCCVEGCSA-N 0 1 378.400 1.116 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000823135948 607213738 /nfs/dbraw/zinc/21/37/38/607213738.db2.gz BMCZEIOQJDEKKP-AWEZNQCLSA-N 0 1 390.411 1.219 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000823127176 607215711 /nfs/dbraw/zinc/21/57/11/607215711.db2.gz VYURSBMUPRDLGV-INIZCTEOSA-N 0 1 390.407 1.395 20 0 GDADMN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821678240 607218256 /nfs/dbraw/zinc/21/82/56/607218256.db2.gz LNDXBMPTTNOQKP-ZANVPECISA-N 0 1 376.808 1.004 20 0 GDADMN COc1ccc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)cc1 ZINC000821727064 607219637 /nfs/dbraw/zinc/21/96/37/607219637.db2.gz AOGZGUPGDFVRIE-UHFFFAOYSA-N 0 1 390.407 1.450 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821154589 607220397 /nfs/dbraw/zinc/22/03/97/607220397.db2.gz PQTHMIXKXOKAKX-HNNXBMFYSA-N 0 1 386.435 1.713 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000823126044 607223138 /nfs/dbraw/zinc/22/31/38/607223138.db2.gz GEGINCABZCFYGZ-INIZCTEOSA-N 0 1 378.371 1.503 20 0 GDADMN O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000823482949 607224096 /nfs/dbraw/zinc/22/40/96/607224096.db2.gz CXXNZYHZOWDSTF-ZDUSSCGKSA-N 0 1 376.486 1.645 20 0 GDADMN O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000823482949 607224097 /nfs/dbraw/zinc/22/40/97/607224097.db2.gz CXXNZYHZOWDSTF-ZDUSSCGKSA-N 0 1 376.486 1.645 20 0 GDADMN COc1ccc(CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](C)C2CC2)cc1 ZINC000821794470 607236587 /nfs/dbraw/zinc/23/65/87/607236587.db2.gz IAOIRQNKTUQJTG-LBPRGKRZSA-N 0 1 382.428 1.294 20 0 GDADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC(Cn2ccnn2)CC1 ZINC000826369649 607801694 /nfs/dbraw/zinc/80/16/94/607801694.db2.gz LMKVGBXWCPZDLD-UHFFFAOYSA-N 0 1 390.398 1.972 20 0 GDADMN O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488210 607818985 /nfs/dbraw/zinc/81/89/85/607818985.db2.gz KNNVPTZLGYHEFQ-OWYVNGRQSA-N 0 1 397.407 1.381 20 0 GDADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl ZINC000824414070 607834102 /nfs/dbraw/zinc/83/41/02/607834102.db2.gz TUFDVPOXVJWUMX-JTQLQIEISA-N 0 1 398.298 1.539 20 0 GDADMN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c(F)c1 ZINC000530380900 649972010 /nfs/dbraw/zinc/97/20/10/649972010.db2.gz JDNUXLFXGUVUJX-CHWSQXEVSA-N 0 1 376.475 1.278 20 0 GDADMN CC[C@H](C(=O)OCc1cccc(C(=O)OC)c1-c1nn[nH]n1)N(CC)CC ZINC000825039776 607914377 /nfs/dbraw/zinc/91/43/77/607914377.db2.gz WCPHQHGJZVJKIY-CQSZACIVSA-N 0 1 375.429 1.817 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)nc(Cl)c2)c1-c1nnn[n-]1 ZINC000826077799 608019848 /nfs/dbraw/zinc/01/98/48/608019848.db2.gz WJTFHFBEDGTAJH-UHFFFAOYSA-N 0 1 396.242 1.696 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)nc(Cl)c2)c1-c1nn[n-]n1 ZINC000826077799 608019849 /nfs/dbraw/zinc/01/98/49/608019849.db2.gz WJTFHFBEDGTAJH-UHFFFAOYSA-N 0 1 396.242 1.696 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826073160 608020796 /nfs/dbraw/zinc/02/07/96/608020796.db2.gz HDPVFONMKIRNTL-UHFFFAOYSA-N 0 1 386.435 1.797 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826073160 608020797 /nfs/dbraw/zinc/02/07/97/608020797.db2.gz HDPVFONMKIRNTL-UHFFFAOYSA-N 0 1 386.435 1.797 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000826073392 608020904 /nfs/dbraw/zinc/02/09/04/608020904.db2.gz QIUQVOVERRBLIU-LLVKDONJSA-N 0 1 384.444 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000826073392 608020905 /nfs/dbraw/zinc/02/09/05/608020905.db2.gz QIUQVOVERRBLIU-LLVKDONJSA-N 0 1 384.444 1.493 20 0 GDADMN CCc1nc(C)c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)s1 ZINC000825744775 608020962 /nfs/dbraw/zinc/02/09/62/608020962.db2.gz DVAANKPJXMMIGX-UHFFFAOYSA-N 0 1 375.462 1.321 20 0 GDADMN CCc1nc(C)c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)s1 ZINC000825744775 608020963 /nfs/dbraw/zinc/02/09/63/608020963.db2.gz DVAANKPJXMMIGX-UHFFFAOYSA-N 0 1 375.462 1.321 20 0 GDADMN CC[C@H](Cc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825127617 608021067 /nfs/dbraw/zinc/02/10/67/608021067.db2.gz OHPQAVQRFASGEM-CQSZACIVSA-N 0 1 382.472 1.949 20 0 GDADMN CC[C@H](Cc1ccccc1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825127617 608021068 /nfs/dbraw/zinc/02/10/68/608021068.db2.gz OHPQAVQRFASGEM-CQSZACIVSA-N 0 1 382.472 1.949 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(F)cc2Cl)c1-c1nnn[n-]1 ZINC000826077565 608022082 /nfs/dbraw/zinc/02/20/82/608022082.db2.gz MRHKVDACLGMWIW-UHFFFAOYSA-N 0 1 392.826 1.716 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(F)cc2Cl)c1-c1nn[n-]n1 ZINC000826077565 608022083 /nfs/dbraw/zinc/02/20/83/608022083.db2.gz MRHKVDACLGMWIW-UHFFFAOYSA-N 0 1 392.826 1.716 20 0 GDADMN Cc1ccc(N2CC[C@@H]([N@H+](C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)C2=O)cc1 ZINC000826289627 608036522 /nfs/dbraw/zinc/03/65/22/608036522.db2.gz HHXXNKCMPOTTOA-OAHLLOKOSA-N 0 1 395.471 1.150 20 0 GDADMN Cc1ccc(N2CC[C@@H]([N@@H+](C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)C2=O)cc1 ZINC000826289627 608036523 /nfs/dbraw/zinc/03/65/23/608036523.db2.gz HHXXNKCMPOTTOA-OAHLLOKOSA-N 0 1 395.471 1.150 20 0 GDADMN CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@H]1O ZINC000825210690 608045285 /nfs/dbraw/zinc/04/52/85/608045285.db2.gz IWVCQSOCNUPJNU-WCQYABFASA-N 0 1 390.513 1.838 20 0 GDADMN CC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C[C@H]1O ZINC000825210690 608045286 /nfs/dbraw/zinc/04/52/86/608045286.db2.gz IWVCQSOCNUPJNU-WCQYABFASA-N 0 1 390.513 1.838 20 0 GDADMN C[C@@H]1OCC[C@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825020195 608114572 /nfs/dbraw/zinc/11/45/72/608114572.db2.gz JFQASEUNLFCNRB-WMLDXEAASA-N 0 1 385.472 1.261 20 0 GDADMN C[C@@H]1C[C@H](CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO1 ZINC000824883729 608125212 /nfs/dbraw/zinc/12/52/12/608125212.db2.gz IWNSMTYKFIFNBX-NXEZZACHSA-N 0 1 387.412 1.628 20 0 GDADMN C[C@]1(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO[C@@H]1C1CC1 ZINC000824838509 608128073 /nfs/dbraw/zinc/12/80/73/608128073.db2.gz RBJCGRYGROLZJC-HIFRSBDPSA-N 0 1 385.396 1.381 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)[C@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000825740135 608204545 /nfs/dbraw/zinc/20/45/45/608204545.db2.gz OCFFIWOOEGEMFF-IAQYHMDHSA-N 0 1 384.444 1.828 20 0 GDADMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824857159 608218231 /nfs/dbraw/zinc/21/82/31/608218231.db2.gz BSLJHZLUHMAWRH-KDOFPFPSSA-N 0 1 384.484 1.762 20 0 GDADMN CC(C)(C)c1nc(CCN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000824141057 608237216 /nfs/dbraw/zinc/23/72/16/608237216.db2.gz BWGYMQKLHOWIKX-CQSZACIVSA-N 0 1 385.497 1.979 20 0 GDADMN CCN1C[C@@H](C)N(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@@H]1C ZINC000825443783 608246808 /nfs/dbraw/zinc/24/68/08/608246808.db2.gz GAOMQSZMXCCQAM-LSDHHAIUSA-N 0 1 399.499 1.917 20 0 GDADMN O=C(CN[C@]1(CO)CCc2ccccc21)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826412433 608254311 /nfs/dbraw/zinc/25/43/11/608254311.db2.gz NUEVWUWLXPZRSQ-IBGZPJMESA-N 0 1 398.854 1.882 20 0 GDADMN O=C(CN[C@@]1(CO)CCc2ccccc21)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826412434 608254590 /nfs/dbraw/zinc/25/45/90/608254590.db2.gz NUEVWUWLXPZRSQ-LJQANCHMSA-N 0 1 398.854 1.882 20 0 GDADMN C[C@H](CCO)N(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000824405949 608267877 /nfs/dbraw/zinc/26/78/77/608267877.db2.gz BVMTYZYSQIPLNB-MRXNPFEDSA-N 0 1 394.479 1.756 20 0 GDADMN Cc1nn(-c2ccccc2)c(CN2CCC([N@H+](C)CCO)CC2)c1-c1nn[n-]n1 ZINC000826331907 608312773 /nfs/dbraw/zinc/31/27/73/608312773.db2.gz CKTIRXXKVFQNKM-UHFFFAOYSA-N 0 1 396.499 1.249 20 0 GDADMN Cc1nn(-c2ccccc2)c(CN2CCC([N@@H+](C)CCO)CC2)c1-c1nn[n-]n1 ZINC000826331907 608312774 /nfs/dbraw/zinc/31/27/74/608312774.db2.gz CKTIRXXKVFQNKM-UHFFFAOYSA-N 0 1 396.499 1.249 20 0 GDADMN CCC[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CCN1CCOC ZINC000825255570 608313891 /nfs/dbraw/zinc/31/38/91/608313891.db2.gz XOQHZCSOHFLLNZ-DOOKAGJSSA-N 0 1 384.484 1.839 20 0 GDADMN CC[C@H]1CN(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)CCN1C[C@H](C)O ZINC000825205493 608337346 /nfs/dbraw/zinc/33/73/46/608337346.db2.gz WKDRSNMZIAJJOP-JSGCOSHPSA-N 0 1 389.460 1.184 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H](N(C)Cc2noc(C)n2)C1 ZINC000826168289 608366966 /nfs/dbraw/zinc/36/69/66/608366966.db2.gz IWGNRLOCRNVPQF-OAHLLOKOSA-N 0 1 384.444 1.273 20 0 GDADMN c1cc(OCC[NH+]2CCCC2)ccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826517545 608415957 /nfs/dbraw/zinc/41/59/57/608415957.db2.gz HMFNDYFNNMVSRU-UHFFFAOYSA-N 0 1 380.456 1.786 20 0 GDADMN c1cc(OCC[NH+]2CCCC2)ccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826517545 608415959 /nfs/dbraw/zinc/41/59/59/608415959.db2.gz HMFNDYFNNMVSRU-UHFFFAOYSA-N 0 1 380.456 1.786 20 0 GDADMN C[C@H]1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1ccnc1 ZINC000824952786 608452317 /nfs/dbraw/zinc/45/23/17/608452317.db2.gz ATDJTYHAUICZGZ-WMLDXEAASA-N 0 1 380.456 1.263 20 0 GDADMN COC(=O)C1(NC(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000826125033 608461624 /nfs/dbraw/zinc/46/16/24/608461624.db2.gz ZNIAOSJXAFHODG-ZDUSSCGKSA-N 0 1 386.456 1.509 20 0 GDADMN COc1cccc(S(=O)(=O)CCN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826217718 608463120 /nfs/dbraw/zinc/46/31/20/608463120.db2.gz ZLWRVXRZRXDKLL-CYBMUJFWSA-N 0 1 387.465 2.000 20 0 GDADMN COc1cccc(S(=O)(=O)CCN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826217719 608463334 /nfs/dbraw/zinc/46/33/34/608463334.db2.gz ZLWRVXRZRXDKLL-ZDUSSCGKSA-N 0 1 387.465 2.000 20 0 GDADMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1sccc1C(N)=O ZINC000824531392 608464747 /nfs/dbraw/zinc/46/47/47/608464747.db2.gz PJNLGARXFQEWIH-UWVGGRQHSA-N 0 1 385.453 1.705 20 0 GDADMN COc1ccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1O ZINC000826195503 608502416 /nfs/dbraw/zinc/50/24/16/608502416.db2.gz WOVDMDVQPWNEAO-UHFFFAOYSA-N 0 1 380.452 1.899 20 0 GDADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000826412294 608528352 /nfs/dbraw/zinc/52/83/52/608528352.db2.gz JEWVHOWHRNZXNA-IAGOWNOFSA-N 0 1 382.468 1.615 20 0 GDADMN CCOC(=O)[C@H]1CCCCN1C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825499736 608533261 /nfs/dbraw/zinc/53/32/61/608533261.db2.gz SRQRMZWALUDLLY-MRXNPFEDSA-N 0 1 398.467 1.390 20 0 GDADMN Cn1cc([C@H](NCC(=O)NCc2cccc(-c3nn[nH]n3)c2)C(C)(C)C)cn1 ZINC000826359733 608553955 /nfs/dbraw/zinc/55/39/55/608553955.db2.gz PDGPMWXMMBLRHM-KRWDZBQOSA-N 0 1 382.472 1.593 20 0 GDADMN CS(=O)(=O)C[C@H](NC[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826222524 608554173 /nfs/dbraw/zinc/55/41/73/608554173.db2.gz ZSQISVCGDLYAHQ-DLBZAZTESA-N 0 1 387.465 1.276 20 0 GDADMN Fc1ccc(N2CCN(Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)nc1 ZINC000826375436 608563031 /nfs/dbraw/zinc/56/30/31/608563031.db2.gz NMHDIHVHNGQUMX-UHFFFAOYSA-N 0 1 378.415 1.976 20 0 GDADMN COc1ccc([C@H](C)C[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000826188161 608590644 /nfs/dbraw/zinc/59/06/44/608590644.db2.gz PABDMVRZFHVHDF-CABCVRRESA-N 0 1 394.483 1.980 20 0 GDADMN COc1ccc([C@H](C)C[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000826188161 608590645 /nfs/dbraw/zinc/59/06/45/608590645.db2.gz PABDMVRZFHVHDF-CABCVRRESA-N 0 1 394.483 1.980 20 0 GDADMN COc1ccc([C@H](C)C[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000826188161 608590647 /nfs/dbraw/zinc/59/06/47/608590647.db2.gz PABDMVRZFHVHDF-CABCVRRESA-N 0 1 394.483 1.980 20 0 GDADMN COc1ccc([C@H](C)C[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000826188161 608590650 /nfs/dbraw/zinc/59/06/50/608590650.db2.gz PABDMVRZFHVHDF-CABCVRRESA-N 0 1 394.483 1.980 20 0 GDADMN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824109145 608652882 /nfs/dbraw/zinc/65/28/82/608652882.db2.gz NWRHJLSLCYUJFI-CYBMUJFWSA-N 0 1 398.471 1.861 20 0 GDADMN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC1CCN(CCOC(C)C)CC1 ZINC000530535598 649977901 /nfs/dbraw/zinc/97/79/01/649977901.db2.gz SXNXFYJKEFNEMH-HZPDHXFCSA-N 0 1 376.519 1.137 20 0 GDADMN O=C(NCc1n[nH]c(-c2ccccc2)n1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826444119 609218475 /nfs/dbraw/zinc/21/84/75/609218475.db2.gz QYERDZNCWLAISG-HNNXBMFYSA-N 0 1 376.380 1.002 20 0 GDADMN O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826444119 609218477 /nfs/dbraw/zinc/21/84/77/609218477.db2.gz QYERDZNCWLAISG-HNNXBMFYSA-N 0 1 376.380 1.002 20 0 GDADMN COCCC[C@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826155001 609374830 /nfs/dbraw/zinc/37/48/30/609374830.db2.gz CGUTWCKRTYNYEG-LBPRGKRZSA-N 0 1 389.460 1.443 20 0 GDADMN O=C1[C@H](NCc2cccc3c2OCO3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476424 609413651 /nfs/dbraw/zinc/41/36/51/609413651.db2.gz HKPVVHFZAJOGFE-MRXNPFEDSA-N 0 1 392.419 1.881 20 0 GDADMN NC(=O)[C@@H](NCCc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389403 609516048 /nfs/dbraw/zinc/51/60/48/609516048.db2.gz XBZCUZBQXACAOC-HNNXBMFYSA-N 0 1 376.342 1.643 20 0 GDADMN C[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824936923 609538796 /nfs/dbraw/zinc/53/87/96/609538796.db2.gz NHQNWUHYPSPGMZ-NSHDSACASA-N 0 1 384.893 1.673 20 0 GDADMN CCc1nc([C@H]2CN(c3ncc(Cl)c(C)c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000825739562 609576062 /nfs/dbraw/zinc/57/60/62/609576062.db2.gz FYYBZPTUZMVMMY-SNVBAGLBSA-N 0 1 375.824 1.482 20 0 GDADMN CCN1C[C@H](C)N(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C[C@H]1C ZINC000825443832 609602964 /nfs/dbraw/zinc/60/29/64/609602964.db2.gz GWZOTHWYOOIXOT-CABCVRRESA-N 0 1 394.483 1.916 20 0 GDADMN C[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000530883322 649983446 /nfs/dbraw/zinc/98/34/46/649983446.db2.gz MRRJDXWSQRIGIN-NEPJUHHUSA-N 0 1 388.295 1.637 20 0 GDADMN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000531865297 649998905 /nfs/dbraw/zinc/99/89/05/649998905.db2.gz BTLFCAQPHSWEHP-OAHLLOKOSA-N 0 1 375.535 1.313 20 0 GDADMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000532196680 650018793 /nfs/dbraw/zinc/01/87/93/650018793.db2.gz CSCBYUIOKTYNGV-MEBBXXQBSA-N 0 1 383.901 1.986 20 0 GDADMN CC(C)N(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C[C@H](C)O ZINC000532961544 650038951 /nfs/dbraw/zinc/03/89/51/650038951.db2.gz QZHGDJQQGMLDNB-LBPRGKRZSA-N 0 1 391.921 1.620 20 0 GDADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)NCCCO)cc1 ZINC000533623910 650210953 /nfs/dbraw/zinc/21/09/53/650210953.db2.gz KJPARHXMADJIBO-UHFFFAOYSA-N 0 1 384.845 1.230 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@@H]1CCCS1 ZINC000534904358 650234604 /nfs/dbraw/zinc/23/46/04/650234604.db2.gz TVVJQQXMKNGXLI-LBPRGKRZSA-N 0 1 394.540 1.631 20 0 GDADMN Cc1nn2cc(S(=O)(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)cnc2c1Cl ZINC000535753661 650255532 /nfs/dbraw/zinc/25/55/32/650255532.db2.gz LMRKPFKCLZZSOT-VIFPVBQESA-N 0 1 383.865 1.972 20 0 GDADMN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1F ZINC000536660392 650276932 /nfs/dbraw/zinc/27/69/32/650276932.db2.gz JRVPSXPANCOFKQ-UHFFFAOYSA-N 0 1 381.410 1.822 20 0 GDADMN C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000536835547 650281488 /nfs/dbraw/zinc/28/14/88/650281488.db2.gz XWLGVIBJBMNIBW-GFCCVEGCSA-N 0 1 377.532 1.427 20 0 GDADMN C[C@@H](C(=O)N1CC(N(C)C)C1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000537119317 650287269 /nfs/dbraw/zinc/28/72/69/650287269.db2.gz GXNWIMJBYCXAJN-VIFPVBQESA-N 0 1 380.242 1.206 20 0 GDADMN Cc1nc(S(=O)(=O)NC[C@H](CO)Cc2ccco2)sc1Br ZINC000538979773 650326743 /nfs/dbraw/zinc/32/67/43/650326743.db2.gz KKHWCAIROXZAQN-SECBINFHSA-N 0 1 395.300 1.937 20 0 GDADMN C[C@@H](N[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc([S@](C)=O)cc1 ZINC000539369862 650333086 /nfs/dbraw/zinc/33/30/86/650333086.db2.gz QGSHWTBYPDRFRH-GDGGTJPCSA-N 0 1 386.539 1.109 20 0 GDADMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)cn1 ZINC000539471898 650335227 /nfs/dbraw/zinc/33/52/27/650335227.db2.gz GMHHRMHRBKYBCS-UHFFFAOYSA-N 0 1 376.360 1.821 20 0 GDADMN CCN(CC)c1ncc(CNCCS(=O)(=O)NC[C@H]2CCCCO2)s1 ZINC000540613570 650364998 /nfs/dbraw/zinc/36/49/98/650364998.db2.gz DSRIBJKHMMVZPL-CQSZACIVSA-N 0 1 390.575 1.567 20 0 GDADMN Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000540627151 650366253 /nfs/dbraw/zinc/36/62/53/650366253.db2.gz FQIIAUMACKUTDX-CQSZACIVSA-N 0 1 385.873 1.922 20 0 GDADMN C[C@H](CN1CCOCC1)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000541237267 650380242 /nfs/dbraw/zinc/38/02/42/650380242.db2.gz CRCSGZIQRJTGKN-CYBMUJFWSA-N 0 1 398.301 1.814 20 0 GDADMN C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cccc(S(N)(=O)=O)c1 ZINC000542133864 650399481 /nfs/dbraw/zinc/39/94/81/650399481.db2.gz FBUKQDXZVSNKLD-GWCFXTLKSA-N 0 1 379.404 1.538 20 0 GDADMN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)c1ncn[nH]1 ZINC000542827150 650413891 /nfs/dbraw/zinc/41/38/91/650413891.db2.gz WALSJHKYBFBURU-NSHDSACASA-N 0 1 392.213 1.563 20 0 GDADMN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)c1nc[nH]n1 ZINC000542827150 650413893 /nfs/dbraw/zinc/41/38/93/650413893.db2.gz WALSJHKYBFBURU-NSHDSACASA-N 0 1 392.213 1.563 20 0 GDADMN CC[C@H]1C(=O)NCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000543434155 650422153 /nfs/dbraw/zinc/42/21/53/650422153.db2.gz MPGFSQCQJZHXTP-ZDUSSCGKSA-N 0 1 378.226 1.641 20 0 GDADMN COC(=O)c1ncsc1S(=O)(=O)NCCOc1ccc(Cl)cc1 ZINC000543074415 650418271 /nfs/dbraw/zinc/41/82/71/650418271.db2.gz PBTZQUPSDWGOPN-UHFFFAOYSA-N 0 1 376.843 1.940 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@@]1(C)CCO[C@H]1C ZINC000544103388 650434636 /nfs/dbraw/zinc/43/46/36/650434636.db2.gz MLRDAOYADMSDSG-NHYWBVRUSA-N 0 1 392.499 1.303 20 0 GDADMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cn1C ZINC000544816380 650445979 /nfs/dbraw/zinc/44/59/79/650445979.db2.gz BSHXNEGZJNHUJX-UHFFFAOYSA-N 0 1 385.829 1.755 20 0 GDADMN CCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000546782782 650486362 /nfs/dbraw/zinc/48/63/62/650486362.db2.gz OJLHMZGDODVZEH-DTWKUNHWSA-N 0 1 385.305 1.686 20 0 GDADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000547275455 650493405 /nfs/dbraw/zinc/49/34/05/650493405.db2.gz DFSDRFRSSURHDK-SJCJKPOMSA-N 0 1 383.286 1.841 20 0 GDADMN C[C@@H]1CN(CC(C)(C)O)CCN1c1ncc(I)cn1 ZINC000548036459 650528516 /nfs/dbraw/zinc/52/85/16/650528516.db2.gz UPACUOYLGAYLJJ-SNVBAGLBSA-N 0 1 376.242 1.363 20 0 GDADMN O=S(=O)(Nc1ncccc1F)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000548147012 650532549 /nfs/dbraw/zinc/53/25/49/650532549.db2.gz KUOOSIZHRQRLKU-UHFFFAOYSA-N 0 1 385.442 1.806 20 0 GDADMN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CN(C)[C@H]1CCSC1 ZINC000549204201 650572000 /nfs/dbraw/zinc/57/20/00/650572000.db2.gz FXTKXVOTUVKCSV-GJZGRUSLSA-N 0 1 385.555 1.297 20 0 GDADMN COc1ccc(CCNCc2ncc(CSC)s2)cc1S(N)(=O)=O ZINC000549780927 650583157 /nfs/dbraw/zinc/58/31/57/650583157.db2.gz YPYLDNOFJOLEOV-UHFFFAOYSA-N 0 1 387.552 1.994 20 0 GDADMN C[N@H+]1CC[C@H](C[N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000916187387 660188613 /nfs/dbraw/zinc/18/86/13/660188613.db2.gz YEMHCMWBBIHUAA-BGJPBQGDSA-N 0 1 385.433 1.819 20 0 GDADMN O=C([O-])[C@@H]1[C@@H]2CCC[N@H+]2CCN1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000551915824 650615456 /nfs/dbraw/zinc/61/54/56/650615456.db2.gz ZGUOHJULWMINTF-XVKPBYJWSA-N 0 1 385.294 1.977 20 0 GDADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCc2nc[nH]n2)s1 ZINC000552588504 650629307 /nfs/dbraw/zinc/62/93/07/650629307.db2.gz BNKOEMLMLRRVAV-GFCCVEGCSA-N 0 1 383.499 1.077 20 0 GDADMN CC[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)C[C@@H](C)[S@]1=O ZINC000553069433 650637487 /nfs/dbraw/zinc/63/74/87/650637487.db2.gz ZIJVHSCKBVDBSI-UTDUZKHQSA-N 0 1 394.465 1.001 20 0 GDADMN CN(C)[C@@H](CNC(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1ccsc1 ZINC000553390979 650644775 /nfs/dbraw/zinc/64/47/75/650644775.db2.gz SDVFOADKIUFCLJ-LBPRGKRZSA-N 0 1 378.420 1.767 20 0 GDADMN COc1cc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)sc1S(N)(=O)=O ZINC000553528437 650650704 /nfs/dbraw/zinc/65/07/04/650650704.db2.gz NYHXFYWEPQWEKP-LLVKDONJSA-N 0 1 387.527 1.351 20 0 GDADMN 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383.460 1.764 20 0 GDADMN CC[NH+](CC)Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821197378 945651607 /nfs/dbraw/zinc/65/16/07/945651607.db2.gz JZWORNMLQOQQNV-UHFFFAOYSA-N 0 1 383.460 1.764 20 0 GDADMN CCc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)nn1C ZINC001571272069 945653699 /nfs/dbraw/zinc/65/36/99/945653699.db2.gz OHSCAXBEGJIHNA-LLVKDONJSA-N 0 1 386.485 1.228 20 0 GDADMN CCc1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)nn1C ZINC001571272069 945653706 /nfs/dbraw/zinc/65/37/06/945653706.db2.gz OHSCAXBEGJIHNA-LLVKDONJSA-N 0 1 386.485 1.228 20 0 GDADMN CCc1n[nH]cc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272736 945669810 /nfs/dbraw/zinc/66/98/10/945669810.db2.gz ZCYROVUXAQWUJR-NSHDSACASA-N 0 1 386.485 1.466 20 0 GDADMN CCc1n[nH]cc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272736 945669817 /nfs/dbraw/zinc/66/98/17/945669817.db2.gz ZCYROVUXAQWUJR-NSHDSACASA-N 0 1 386.485 1.466 20 0 GDADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)NN3C[C@H]4CCC[C@@H]4C3)CC2)o1 ZINC001571273385 945685958 /nfs/dbraw/zinc/68/59/58/945685958.db2.gz WPDPRHQJDPXVCU-ZIAGYGMSSA-N 0 1 386.460 1.143 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3ccc(Cl)[nH]3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571275521 945706975 /nfs/dbraw/zinc/70/69/75/945706975.db2.gz VMJXFSGMJNOKCI-PWSUYJOCSA-N 0 1 386.847 1.949 20 0 GDADMN Cc1noc(C)c1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281405 945804354 /nfs/dbraw/zinc/80/43/54/945804354.db2.gz HYQZNNOQUSHLKI-LBPRGKRZSA-N 0 1 387.469 1.927 20 0 GDADMN Cc1noc(C)c1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281405 945804363 /nfs/dbraw/zinc/80/43/63/945804363.db2.gz HYQZNNOQUSHLKI-LBPRGKRZSA-N 0 1 387.469 1.927 20 0 GDADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)c1nccs1 ZINC001571282534 945848888 /nfs/dbraw/zinc/84/88/88/945848888.db2.gz JQZBXMKLRNALMG-GFCCVEGCSA-N 0 1 387.444 1.714 20 0 GDADMN O=C(NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)c1nccs1 ZINC001571282534 945848902 /nfs/dbraw/zinc/84/89/02/945848902.db2.gz JQZBXMKLRNALMG-GFCCVEGCSA-N 0 1 387.444 1.714 20 0 GDADMN O=C(NCC1CN(CCOC2CCCCCC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571284866 945904917 /nfs/dbraw/zinc/90/49/17/945904917.db2.gz VIMVBASCTYFIJU-UHFFFAOYSA-N 0 1 387.488 1.596 20 0 GDADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1sccc1F ZINC001571286638 945955733 /nfs/dbraw/zinc/95/57/33/945955733.db2.gz NGBXWKQPZFYXSL-VHSXEESVSA-N 0 1 388.432 1.384 20 0 GDADMN O=C(NC[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1CCCCO1 ZINC001571288778 945993490 /nfs/dbraw/zinc/99/34/90/945993490.db2.gz TYPJIWWUAMYXMV-WMLDXEAASA-N 0 1 388.447 1.656 20 0 GDADMN COc1cc(CN[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571289557 946010627 /nfs/dbraw/zinc/01/06/27/946010627.db2.gz HMAXJEYJGICKAG-KOLCDFICSA-N 0 1 388.457 1.053 20 0 GDADMN O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1(F)CCCCC1 ZINC001571289790 946017594 /nfs/dbraw/zinc/01/75/94/946017594.db2.gz MOACHKZKHVEBIN-QWHCGFSZSA-N 0 1 388.451 1.448 20 0 GDADMN CCN(C(=O)C1=CCOCC1)[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289952 946022771 /nfs/dbraw/zinc/02/27/71/946022771.db2.gz QNAVUSXIUXNEEU-CQSZACIVSA-N 0 1 388.497 1.698 20 0 GDADMN CCN(C(=O)C1=CCOCC1)[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289952 946022781 /nfs/dbraw/zinc/02/27/81/946022781.db2.gz QNAVUSXIUXNEEU-CQSZACIVSA-N 0 1 388.497 1.698 20 0 GDADMN O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccoc1Cl ZINC001571290650 946051941 /nfs/dbraw/zinc/05/19/41/946051941.db2.gz KVORYUHIAUNKJO-NXEZZACHSA-N 0 1 388.819 1.336 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(Cl)no3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571290760 946052333 /nfs/dbraw/zinc/05/23/33/946052333.db2.gz OCOWOVMNDHJYOZ-SNVBAGLBSA-N 0 1 388.819 1.610 20 0 GDADMN O=C(Cc1ccccc1)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571294113 946125893 /nfs/dbraw/zinc/12/58/93/946125893.db2.gz AXRZZNMDXSAHCK-GOSISDBHSA-N 0 1 389.463 1.980 20 0 GDADMN O=C([C@H]1C[C@@H]1C(F)F)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571295363 946161059 /nfs/dbraw/zinc/16/10/59/946161059.db2.gz YWDCVLLVJMUADL-BQBZGAKWSA-N 0 1 389.819 1.526 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)ccn1 ZINC001571298188 946208431 /nfs/dbraw/zinc/20/84/31/946208431.db2.gz BRKVEMJQAZASKF-MAUKXSAKSA-N 0 1 390.451 1.624 20 0 GDADMN O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1=COCCO1 ZINC001571298435 946215566 /nfs/dbraw/zinc/21/55/66/946215566.db2.gz NUCMGAXZMNJUQK-RYUDHWBXSA-N 0 1 390.469 1.333 20 0 GDADMN O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1=COCCO1 ZINC001571298435 946215576 /nfs/dbraw/zinc/21/55/76/946215576.db2.gz NUCMGAXZMNJUQK-RYUDHWBXSA-N 0 1 390.469 1.333 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC001571298998 946235182 /nfs/dbraw/zinc/23/51/82/946235182.db2.gz GTCOKOKFUFCNCK-CQSZACIVSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC001571298998 946235192 /nfs/dbraw/zinc/23/51/92/946235192.db2.gz GTCOKOKFUFCNCK-CQSZACIVSA-N 0 1 390.513 1.778 20 0 GDADMN O=C([C@H]1Cc2ccccc21)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571298989 946236131 /nfs/dbraw/zinc/23/61/31/946236131.db2.gz MUESECMFAJVNNN-INIZCTEOSA-N 0 1 390.451 1.069 20 0 GDADMN O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571299688 946258662 /nfs/dbraw/zinc/25/86/62/946258662.db2.gz ZBIMUDYSEAJOJY-HRCADAONSA-N 0 1 390.451 1.285 20 0 GDADMN C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299696 946258866 /nfs/dbraw/zinc/25/88/66/946258866.db2.gz OQRIUVWYDQKOAX-GXTWGEPZSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299696 946258876 /nfs/dbraw/zinc/25/88/76/946258876.db2.gz OQRIUVWYDQKOAX-GXTWGEPZSA-N 0 1 390.513 1.824 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001571300077 946272549 /nfs/dbraw/zinc/27/25/49/946272549.db2.gz TYFVKZZEONQVEB-UGSOOPFHSA-N 0 1 390.513 1.778 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001571300077 946272560 /nfs/dbraw/zinc/27/25/60/946272560.db2.gz TYFVKZZEONQVEB-UGSOOPFHSA-N 0 1 390.513 1.778 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCO1 ZINC001571300270 946277944 /nfs/dbraw/zinc/27/79/44/946277944.db2.gz YGRCCEMDPIOXSD-XUXIUFHCSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001571300270 946277956 /nfs/dbraw/zinc/27/79/56/946277956.db2.gz YGRCCEMDPIOXSD-XUXIUFHCSA-N 0 1 390.513 1.728 20 0 GDADMN CC(C)(C(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)C(F)F ZINC001571302201 946295679 /nfs/dbraw/zinc/29/56/79/946295679.db2.gz REQVDEUWIZQEFJ-GOSISDBHSA-N 0 1 391.426 1.982 20 0 GDADMN CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CC2(CCOCC2)C1 ZINC001573497023 946336183 /nfs/dbraw/zinc/33/61/83/946336183.db2.gz IVNBMNLXIMYNDQ-INIZCTEOSA-N 0 1 388.447 1.513 20 0 GDADMN Cc1cnccc1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571306182 946390480 /nfs/dbraw/zinc/39/04/80/946390480.db2.gz QLDMOKRSCMFJKO-GOSISDBHSA-N 0 1 391.479 1.846 20 0 GDADMN Cc1cnc(C(=O)N2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)CC2)cn1 ZINC001571306249 946394081 /nfs/dbraw/zinc/39/40/81/946394081.db2.gz RBXGLXHGOKVQQY-UHFFFAOYSA-N 0 1 391.848 1.037 20 0 GDADMN CN(Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571308547 946433512 /nfs/dbraw/zinc/43/35/12/946433512.db2.gz QPLMIPHFQOBQOV-UGSOOPFHSA-N 0 1 392.410 1.167 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)c(C)[nH]1 ZINC001571316111 946566352 /nfs/dbraw/zinc/56/63/52/946566352.db2.gz UJYPAEUSOZQAMU-KRWDZBQOSA-N 0 1 392.467 1.996 20 0 GDADMN Cc1ccc(CC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)cn1 ZINC001571316197 946569407 /nfs/dbraw/zinc/56/94/07/946569407.db2.gz WANWKQNXSKIAND-ZBFHGGJFSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C23CCC3)n1C ZINC001571316251 946571387 /nfs/dbraw/zinc/57/13/87/946571387.db2.gz XNHXSDUIBZIIOH-DLBZAZTESA-N 0 1 392.467 1.484 20 0 GDADMN Cc1ccccc1[C@@H](C)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316488 946579916 /nfs/dbraw/zinc/57/99/16/946579916.db2.gz DLHBKVATBPEZMZ-CABCVRRESA-N 0 1 392.467 1.806 20 0 GDADMN CC(C)(C)c1nc([C@@H]2CN(c3nc4ccccn4c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000824136999 946599937 /nfs/dbraw/zinc/59/99/37/946599937.db2.gz WALOYRPXUCPALD-NSHDSACASA-N 0 1 394.443 1.508 20 0 GDADMN CC(C)(C)c1nnc([C@@H]2CN(c3nc4ccccn4c3-c3nn[nH]n3)CCO2)[nH]1 ZINC000824136999 946599939 /nfs/dbraw/zinc/59/99/39/946599939.db2.gz WALOYRPXUCPALD-NSHDSACASA-N 0 1 394.443 1.508 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)c2cc[nH]c2)C1)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317387 946609183 /nfs/dbraw/zinc/60/91/83/946609183.db2.gz FUTUDKSANYBJMO-VIFPVBQESA-N 0 1 392.876 1.903 20 0 GDADMN CC[N@@H+](CCNS(=O)(=O)c1c2ccccc2sc1-c1nnn[n-]1)C1CC1 ZINC001571317447 946611191 /nfs/dbraw/zinc/61/11/91/946611191.db2.gz ILWILJCRJXSBOS-UHFFFAOYSA-N 0 1 392.510 1.844 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21)c1cnco1 ZINC001571317562 946614047 /nfs/dbraw/zinc/61/40/47/946614047.db2.gz MSUAJPFIMLEPDQ-WHUPJOBBSA-N 0 1 392.832 1.077 20 0 GDADMN C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C1CCC1 ZINC000824489008 946735945 /nfs/dbraw/zinc/73/59/45/946735945.db2.gz IBCCIESLIJMRIJ-LLVKDONJSA-N 0 1 386.460 1.752 20 0 GDADMN CC(=O)Nc1cccc(CN(C)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001573547038 946827147 /nfs/dbraw/zinc/82/71/47/946827147.db2.gz UXNYLIXMDODKDU-UHFFFAOYSA-N 0 1 382.428 1.015 20 0 GDADMN CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C[C@H]1O ZINC000825210193 947121438 /nfs/dbraw/zinc/12/14/38/947121438.db2.gz FWBJGPIGENMTFW-CMPLNLGQSA-N 0 1 376.486 1.448 20 0 GDADMN CC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C[C@H]1O ZINC000825210193 947121445 /nfs/dbraw/zinc/12/14/45/947121445.db2.gz FWBJGPIGENMTFW-CMPLNLGQSA-N 0 1 376.486 1.448 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1F ZINC001573586193 947279879 /nfs/dbraw/zinc/27/98/79/947279879.db2.gz LNJSHKBRGMZPHT-NWDGAFQWSA-N 0 1 384.419 1.280 20 0 GDADMN C=C/C(C)=C/CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573317213 947293862 /nfs/dbraw/zinc/29/38/62/947293862.db2.gz MQVUVKNPOBEJTF-YGLIYXGISA-N 0 1 382.472 1.900 20 0 GDADMN C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586915 947297294 /nfs/dbraw/zinc/29/72/94/947297294.db2.gz UMLXFEBMBXVJHC-GJZGRUSLSA-N 0 1 386.504 1.785 20 0 GDADMN C=C/C(C)=C/CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001573319180 947325835 /nfs/dbraw/zinc/32/58/35/947325835.db2.gz VCGCVGGYSXCKBV-HMBIXPHWSA-N 0 1 382.472 1.758 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573592954 947356382 /nfs/dbraw/zinc/35/63/82/947356382.db2.gz GSXLTCYKSRTGMO-GUYCJALGSA-N 0 1 380.456 1.395 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573595121 947415118 /nfs/dbraw/zinc/41/51/18/947415118.db2.gz FPDGEYTWPDLTHU-GOEBONIOSA-N 0 1 380.456 1.357 20 0 GDADMN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)n1cccn1 ZINC001573597294 947435077 /nfs/dbraw/zinc/43/50/77/947435077.db2.gz MSOPOXSWATXTON-ZDUSSCGKSA-N 0 1 388.501 1.666 20 0 GDADMN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)n1cccn1 ZINC001573597294 947435081 /nfs/dbraw/zinc/43/50/81/947435081.db2.gz MSOPOXSWATXTON-ZDUSSCGKSA-N 0 1 388.501 1.666 20 0 GDADMN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)s1)n1cccn1 ZINC001573597294 947435102 /nfs/dbraw/zinc/43/51/02/947435102.db2.gz MSOPOXSWATXTON-ZDUSSCGKSA-N 0 1 388.501 1.666 20 0 GDADMN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)s1)n1cccn1 ZINC001573597294 947435110 /nfs/dbraw/zinc/43/51/10/947435110.db2.gz MSOPOXSWATXTON-ZDUSSCGKSA-N 0 1 388.501 1.666 20 0 GDADMN CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1(C)C ZINC000826144484 947454815 /nfs/dbraw/zinc/45/48/15/947454815.db2.gz LAYCMHSVINABIG-FOUMNBMASA-N 0 1 376.486 1.683 20 0 GDADMN CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1(C)C ZINC000826144487 947456654 /nfs/dbraw/zinc/45/66/54/947456654.db2.gz LAYCMHSVINABIG-OJAKKHQRSA-N 0 1 376.486 1.683 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573613455 947563532 /nfs/dbraw/zinc/56/35/32/947563532.db2.gz APUFFIYYNJMXKW-BONVTDFDSA-N 0 1 383.378 1.533 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000826184422 947566638 /nfs/dbraw/zinc/56/66/38/947566638.db2.gz WJPJGRKZKLJVKF-NSHDSACASA-N 0 1 388.453 1.374 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573350483 947599367 /nfs/dbraw/zinc/59/93/67/947599367.db2.gz CHWWQZRUKDGLAX-HNNXBMFYSA-N 0 1 390.451 1.898 20 0 GDADMN C[C@@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)c1ccco1 ZINC001573615391 947603564 /nfs/dbraw/zinc/60/35/64/947603564.db2.gz DTGWKVCJQSRQJX-CYBMUJFWSA-N 0 1 381.440 1.731 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573352126 947624895 /nfs/dbraw/zinc/62/48/95/947624895.db2.gz VXJLMDDTNGZZJT-BBRMVZONSA-N 0 1 390.451 1.684 20 0 GDADMN C/C(=C\C(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573363992 947716466 /nfs/dbraw/zinc/71/64/66/947716466.db2.gz OTGCVLPFPZXTKN-SJKUJVLLSA-N 0 1 382.472 1.616 20 0 GDADMN CC(=O)CCCC(=O)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573367736 947764009 /nfs/dbraw/zinc/76/40/09/947764009.db2.gz HJTLQHQINMOSOM-UHFFFAOYSA-N 0 1 385.472 1.484 20 0 GDADMN CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573373567 947795549 /nfs/dbraw/zinc/79/55/49/947795549.db2.gz DPFIPYLZARTWSN-UGSOOPFHSA-N 0 1 384.444 1.034 20 0 GDADMN C[C@@H](C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573638016 947831986 /nfs/dbraw/zinc/83/19/86/947831986.db2.gz YPYBTZSKTBLMKS-QAPCUYQASA-N 0 1 384.484 1.716 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[NH+]1CCCCCC1 ZINC001573638762 947842498 /nfs/dbraw/zinc/84/24/98/947842498.db2.gz URVVEQYFZYHYAP-HNNXBMFYSA-N 0 1 384.488 1.175 20 0 GDADMN CC(=O)CCCC(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001573377664 947849805 /nfs/dbraw/zinc/84/98/05/947849805.db2.gz PYZOMXJEVDZUAW-UHFFFAOYSA-N 0 1 383.865 1.385 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573384167 947899176 /nfs/dbraw/zinc/89/91/76/947899176.db2.gz IHONWVJEVCTCNJ-BMFZPTHFSA-N 0 1 383.456 1.555 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)[C@@H]1C ZINC001573384622 947906075 /nfs/dbraw/zinc/90/60/75/947906075.db2.gz ULROVAJIGRWBCO-ZJUUUORDSA-N 0 1 397.892 1.819 20 0 GDADMN C[C@H](C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C)n1cccc1 ZINC001573652727 947946675 /nfs/dbraw/zinc/94/66/75/947946675.db2.gz HAMJSIOFKASZTJ-CJNGLKHVSA-N 0 1 382.472 1.689 20 0 GDADMN C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CCC1 ZINC001573653279 947956329 /nfs/dbraw/zinc/95/63/29/947956329.db2.gz KIKLBEZAGZUBAJ-IUODEOHRSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573654284 947965145 /nfs/dbraw/zinc/96/51/45/947965145.db2.gz QLTRYQOZMPGFDZ-PWSUYJOCSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](C(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573654708 947971214 /nfs/dbraw/zinc/97/12/14/947971214.db2.gz SWYOKSZWRAQMRA-ZUOKHONESA-N 0 1 392.467 1.579 20 0 GDADMN Cc1onc(CC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826347007 948048584 /nfs/dbraw/zinc/04/85/84/948048584.db2.gz AWCBQXBTOOVHBN-CHWSQXEVSA-N 0 1 375.477 1.580 20 0 GDADMN Cc1onc(CC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826347007 948048588 /nfs/dbraw/zinc/04/85/88/948048588.db2.gz AWCBQXBTOOVHBN-CHWSQXEVSA-N 0 1 375.477 1.580 20 0 GDADMN C[C@H](C(=O)N[C@]1(CO)CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573664635 948057757 /nfs/dbraw/zinc/05/77/57/948057757.db2.gz WBZVBOJFUCSNCX-VBKZILBWSA-N 0 1 384.484 1.356 20 0 GDADMN C[C@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1)[C@@H]1CCCO1 ZINC001573664718 948059736 /nfs/dbraw/zinc/05/97/36/948059736.db2.gz XTJZSUBMHRIXBO-BBRMVZONSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573667328 948096398 /nfs/dbraw/zinc/09/63/98/948096398.db2.gz YYPDCXAJPANEPH-WDEREUQCSA-N 0 1 383.378 1.935 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cccnc1 ZINC001573672728 948109785 /nfs/dbraw/zinc/10/97/85/948109785.db2.gz IUGCYKQFLNUTMQ-GXTWGEPZSA-N 0 1 383.481 1.817 20 0 GDADMN C[C@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCCO1 ZINC001573676188 948125366 /nfs/dbraw/zinc/12/53/66/948125366.db2.gz SJUKYBUKTHSUAE-SWLSCSKDSA-N 0 1 390.513 1.824 20 0 GDADMN CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573433613 948202940 /nfs/dbraw/zinc/20/29/40/948202940.db2.gz MMKAAUBZOAMQFR-RDJZCZTQSA-N 0 1 390.513 1.824 20 0 GDADMN CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573433613 948202949 /nfs/dbraw/zinc/20/29/49/948202949.db2.gz MMKAAUBZOAMQFR-RDJZCZTQSA-N 0 1 390.513 1.824 20 0 GDADMN O=C(C=Cc1ccccc1-c1nn[nH]n1)OCCOCCNC(=O)C(F)(F)F ZINC000826402132 948223649 /nfs/dbraw/zinc/22/36/49/948223649.db2.gz NNMCRTMIOBKUMW-AATRIKPKSA-N 0 1 399.329 1.118 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1)[C@H]1CCCO1 ZINC001573690835 948230785 /nfs/dbraw/zinc/23/07/85/948230785.db2.gz BXOVFMMEAYAULM-TZMCWYRMSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1)[C@H]1CCCO1 ZINC001573690835 948230794 /nfs/dbraw/zinc/23/07/94/948230794.db2.gz BXOVFMMEAYAULM-TZMCWYRMSA-N 0 1 390.513 1.872 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@@H](C)C(=O)[O-] ZINC001602757781 971472934 /nfs/dbraw/zinc/47/29/34/971472934.db2.gz MAOWCIPMVZGXSN-IJEWVQPXSA-N 0 1 385.505 1.933 20 0 GDADMN O=C1CCCc2cc(S(=O)(=O)Nc3ccccc3-c3nn[nH]n3)ccc2N1 ZINC000826480716 948394331 /nfs/dbraw/zinc/39/43/31/948394331.db2.gz NHYHOJUJCDMABP-UHFFFAOYSA-N 0 1 384.421 1.942 20 0 GDADMN C[C@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573706356 948417830 /nfs/dbraw/zinc/41/78/30/948417830.db2.gz ITXASTNCENIHDJ-AWEZNQCLSA-N 0 1 392.467 1.581 20 0 GDADMN C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573706782 948424626 /nfs/dbraw/zinc/42/46/26/948424626.db2.gz LZZMGKBVZJWRIB-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573707909 948441819 /nfs/dbraw/zinc/44/18/19/948441819.db2.gz QHYNDYIXGJIBOB-JTQLQIEISA-N 0 1 383.378 1.580 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708569 948453506 /nfs/dbraw/zinc/45/35/06/948453506.db2.gz VUMFPHUYPSCVGD-KBPBESRZSA-N 0 1 378.440 1.403 20 0 GDADMN C[C@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573708753 948458356 /nfs/dbraw/zinc/45/83/56/948458356.db2.gz XBFRNCCACQOEJO-LLVKDONJSA-N 0 1 379.415 1.886 20 0 GDADMN CC1(C)CCN(CCNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)C1 ZINC001214002786 948495788 /nfs/dbraw/zinc/49/57/88/948495788.db2.gz DLXKVRXPYKCKLT-UHFFFAOYSA-N 0 1 384.893 1.530 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)c1ccco1 ZINC001573719722 948528702 /nfs/dbraw/zinc/52/87/02/948528702.db2.gz OHHYVBOTHWBAKM-QMMMGPOBSA-N 0 1 381.849 1.926 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573727546 948555687 /nfs/dbraw/zinc/55/56/87/948555687.db2.gz ADHROTUDKBCXLT-XUXIUFHCSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H](C)n1cccn1 ZINC001573742692 948664648 /nfs/dbraw/zinc/66/46/48/948664648.db2.gz QFMKTJKWGFPUHM-HTQZYQBOSA-N 0 1 381.853 1.351 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H](C)C(C)(C)C ZINC001573746533 948684899 /nfs/dbraw/zinc/68/48/99/948684899.db2.gz KTOMPIAJQGUHAK-AAVRWANBSA-N 0 1 386.504 1.704 20 0 GDADMN CC(C)[C@@H](F)C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574075634 948747041 /nfs/dbraw/zinc/74/70/41/948747041.db2.gz XPTFLTFCSQIPNF-GXTWGEPZSA-N 0 1 376.440 1.326 20 0 GDADMN CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574416517 948750177 /nfs/dbraw/zinc/75/01/77/948750177.db2.gz WKHYRCJZNPUINW-CQSZACIVSA-N 0 1 378.440 1.529 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)CC1 ZINC001575222112 948755759 /nfs/dbraw/zinc/75/57/59/948755759.db2.gz FADWFOUOSVTYIU-ZDUSSCGKSA-N 0 1 377.399 1.426 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001575222221 948756071 /nfs/dbraw/zinc/75/60/71/948756071.db2.gz GTQTVDCAJMPSIZ-CQSZACIVSA-N 0 1 376.411 1.993 20 0 GDADMN CC(C)c1cccc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)c1 ZINC001574418500 948775567 /nfs/dbraw/zinc/77/55/67/948775567.db2.gz XGVNJNWTKRJJPM-UHFFFAOYSA-N 0 1 392.467 1.967 20 0 GDADMN CC(C)c1cccc(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574418510 948776592 /nfs/dbraw/zinc/77/65/92/948776592.db2.gz XMXIPGMJXNGIFM-LBPRGKRZSA-N 0 1 381.444 1.170 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001575225145 948797046 /nfs/dbraw/zinc/79/70/46/948797046.db2.gz XFCLGUWDPACIHA-QWHCGFSZSA-N 0 1 377.399 1.568 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574080665 948801412 /nfs/dbraw/zinc/80/14/12/948801412.db2.gz ULCUVSGOKYGDHT-CLWVCHIJSA-N 0 1 376.411 1.546 20 0 GDADMN CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420602 948802885 /nfs/dbraw/zinc/80/28/85/948802885.db2.gz ZSDQJWBQCIPWRD-ZDUSSCGKSA-N 0 1 378.440 1.789 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574080880 948803576 /nfs/dbraw/zinc/80/35/76/948803576.db2.gz UUWNEVSYBBDCIL-LQKXBSAESA-N 0 1 376.411 1.546 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575226226 948812173 /nfs/dbraw/zinc/81/21/73/948812173.db2.gz JMNUFHREZDMLCG-KRWDZBQOSA-N 0 1 392.414 1.521 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574081113 948820516 /nfs/dbraw/zinc/82/05/16/948820516.db2.gz QBKQKXMTUFAGIQ-SMDDNHRTSA-N 0 1 376.440 1.372 20 0 GDADMN CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574082029 948846613 /nfs/dbraw/zinc/84/66/13/948846613.db2.gz ZPENFTAOWAOZOP-UMVBOHGHSA-N 0 1 390.467 1.407 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574684056 948857266 /nfs/dbraw/zinc/85/72/66/948857266.db2.gz APTZRHBIPSADLT-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574684056 948857288 /nfs/dbraw/zinc/85/72/88/948857288.db2.gz APTZRHBIPSADLT-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574684056 948857307 /nfs/dbraw/zinc/85/73/07/948857307.db2.gz APTZRHBIPSADLT-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574684056 948857329 /nfs/dbraw/zinc/85/73/29/948857329.db2.gz APTZRHBIPSADLT-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C1=COCCC1 ZINC001574684492 948875044 /nfs/dbraw/zinc/87/50/44/948875044.db2.gz HJSUZMNPVTVJNJ-QMMMGPOBSA-N 0 1 383.865 1.978 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@]1(C)CCOC1 ZINC001574684675 948884075 /nfs/dbraw/zinc/88/40/75/948884075.db2.gz KOAYXEUPAMEJEP-XLKFXECMSA-N 0 1 385.881 1.710 20 0 GDADMN CC(F)(F)CCC(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001575234326 948897768 /nfs/dbraw/zinc/89/77/68/948897768.db2.gz AYLGAFKOZBZVEK-OLZOCXBDSA-N 0 1 391.426 1.982 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C1=CCOCC1 ZINC001574685002 948899610 /nfs/dbraw/zinc/89/96/10/948899610.db2.gz QSLUGFTXDZTHLT-MRVPVSSYSA-N 0 1 383.865 1.630 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573765318 948905140 /nfs/dbraw/zinc/90/51/40/948905140.db2.gz YBDXRRDNBCIZJX-AWEZNQCLSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cccnn1 ZINC001574685681 948913339 /nfs/dbraw/zinc/91/33/39/948913339.db2.gz ZAYOKSPQOARGCF-ZETCQYMHSA-N 0 1 379.837 1.387 20 0 GDADMN C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[NH+]1CCCC1 ZINC001574685655 948915275 /nfs/dbraw/zinc/91/52/75/948915275.db2.gz YMPVWLWLDMTHCS-VIFPVBQESA-N 0 1 384.897 1.379 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573771052 948934262 /nfs/dbraw/zinc/93/42/62/948934262.db2.gz AJKCDXSVCWFSJZ-VHSXEESVSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)c1ncncc1C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574432977 948946767 /nfs/dbraw/zinc/94/67/67/948946767.db2.gz RIHWVTLOEMQVEF-UHFFFAOYSA-N 0 1 392.467 1.642 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573772602 948964943 /nfs/dbraw/zinc/96/49/43/948964943.db2.gz VWMSEZJQPWOEMT-UWVGGRQHSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)c1nc(CNC(=O)NC(C)(C)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC001574435664 948997740 /nfs/dbraw/zinc/99/77/40/948997740.db2.gz XSPLJAQVBBJYNS-UHFFFAOYSA-N 0 1 383.460 1.929 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001574694662 949085450 /nfs/dbraw/zinc/08/54/50/949085450.db2.gz UBOHHTLNDMCTLK-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001574694662 949085467 /nfs/dbraw/zinc/08/54/67/949085467.db2.gz UBOHHTLNDMCTLK-UKRRQHHQSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575249433 949098334 /nfs/dbraw/zinc/09/83/34/949098334.db2.gz BUOYGFKCIQOGFZ-OLZOCXBDSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575249433 949098353 /nfs/dbraw/zinc/09/83/53/949098353.db2.gz BUOYGFKCIQOGFZ-OLZOCXBDSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)(C(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCOCC1 ZINC001573782008 949117688 /nfs/dbraw/zinc/11/76/88/949117688.db2.gz OBLXGLUEIMLUDI-UHFFFAOYSA-N 0 1 392.529 1.977 20 0 GDADMN CC(C)(C(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCOCC1 ZINC001573782008 949117694 /nfs/dbraw/zinc/11/76/94/949117694.db2.gz OBLXGLUEIMLUDI-UHFFFAOYSA-N 0 1 392.529 1.977 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251465 949141423 /nfs/dbraw/zinc/14/14/23/949141423.db2.gz NMAQBNLYAATFGZ-QWHCGFSZSA-N 0 1 380.456 1.362 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574447517 949160883 /nfs/dbraw/zinc/16/08/83/949160883.db2.gz QZGHCYHTCZONIK-OAHLLOKOSA-N 0 1 381.440 1.982 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001574447600 949165119 /nfs/dbraw/zinc/16/51/19/949165119.db2.gz UHPGPMXLPPPWLD-NSHDSACASA-N 0 1 385.432 1.057 20 0 GDADMN C[C@@H](CNC(=O)COc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574934813 949179684 /nfs/dbraw/zinc/17/96/84/949179684.db2.gz ROIULLLNFLRALK-NSHDSACASA-N 0 1 390.444 1.741 20 0 GDADMN C[C@@H](CNC(=O)COc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574934813 949179698 /nfs/dbraw/zinc/17/96/98/949179698.db2.gz ROIULLLNFLRALK-NSHDSACASA-N 0 1 390.444 1.741 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccccc1 ZINC001573787561 949183151 /nfs/dbraw/zinc/18/31/51/949183151.db2.gz WNLLFKJRBSCZCS-FOLVSLTJSA-N 0 1 390.451 1.185 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574448392 949186606 /nfs/dbraw/zinc/18/66/06/949186606.db2.gz KIZILCVNJVMABA-OAHLLOKOSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)Cc1cnc[nH]1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574698717 949204854 /nfs/dbraw/zinc/20/48/54/949204854.db2.gz NUTFRCIGBLLHES-GHMZBOCLSA-N 0 1 387.423 1.262 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574451142 949214768 /nfs/dbraw/zinc/21/47/68/949214768.db2.gz DMVGABKNYONZPT-QWHCGFSZSA-N 0 1 396.455 1.806 20 0 GDADMN CC(C)c1oncc1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1 ZINC001574451553 949237479 /nfs/dbraw/zinc/23/74/79/949237479.db2.gz SATWZWBVWZUTQM-UHFFFAOYSA-N 0 1 382.428 1.560 20 0 GDADMN CC(C)n1cc(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001574452483 949261797 /nfs/dbraw/zinc/26/17/97/949261797.db2.gz KQFXWLDMLLYRGE-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574452876 949268107 /nfs/dbraw/zinc/26/81/07/949268107.db2.gz PGYKZJXERUQZRW-KRWDZBQOSA-N 0 1 380.456 1.648 20 0 GDADMN CC1=C(C)C[C@@H](C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)C)CC1 ZINC001575860078 949286031 /nfs/dbraw/zinc/28/60/31/949286031.db2.gz CHAVFWWLBKNSGS-LSDHHAIUSA-N 0 1 384.488 1.768 20 0 GDADMN CC1=C(C)C[C@@](C)(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575860201 949292183 /nfs/dbraw/zinc/29/21/83/949292183.db2.gz DFZOKJOKJXKEDS-LIRRHRJNSA-N 0 1 384.488 1.864 20 0 GDADMN C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576154228 949322187 /nfs/dbraw/zinc/32/21/87/949322187.db2.gz OGOJMZWYJAKWGC-BFUOFWGJSA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)n1ccc(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC001574457670 949332950 /nfs/dbraw/zinc/33/29/50/949332950.db2.gz MIUUMHDXVHGMQP-UHFFFAOYSA-N 0 1 386.485 1.758 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575259936 949342865 /nfs/dbraw/zinc/34/28/65/949342865.db2.gz SPYGEEXKVLWCLO-CABZTGNLSA-N 0 1 382.440 1.910 20 0 GDADMN CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574458811 949349226 /nfs/dbraw/zinc/34/92/26/949349226.db2.gz YUKIRULTJNTLNW-MLGOLLRUSA-N 0 1 381.444 1.034 20 0 GDADMN CC(C)n1ccc(CNC[C@@H]2CCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574459788 949361965 /nfs/dbraw/zinc/36/19/65/949361965.db2.gz KREZWJJYCDFCPX-AWEZNQCLSA-N 0 1 383.460 1.367 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)c1 ZINC001574463932 949392846 /nfs/dbraw/zinc/39/28/46/949392846.db2.gz BVTXLIYPZLKKBI-OAHLLOKOSA-N 0 1 381.444 1.082 20 0 GDADMN CC1(C(=O)N2CCC(CCNc3ccnc(-c4nn[nH]n4)n3)CC2)CCCC1 ZINC001575534097 949425286 /nfs/dbraw/zinc/42/52/86/949425286.db2.gz JMUUTQYPJXRFIR-UHFFFAOYSA-N 0 1 384.488 1.700 20 0 GDADMN CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574465193 949435299 /nfs/dbraw/zinc/43/52/99/949435299.db2.gz SBODKPNLYZOVGP-CZUORRHYSA-N 0 1 380.456 1.639 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574465663 949444617 /nfs/dbraw/zinc/44/46/17/949444617.db2.gz UXQZXHRTLAGMLM-GFCCVEGCSA-N 0 1 389.485 1.191 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574465663 949444638 /nfs/dbraw/zinc/44/46/38/949444638.db2.gz UXQZXHRTLAGMLM-GFCCVEGCSA-N 0 1 389.485 1.191 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574467946 949448770 /nfs/dbraw/zinc/44/87/70/949448770.db2.gz AHNGHKSDDSTLNP-UHFFFAOYSA-N 0 1 382.472 1.848 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[NH+](C)C ZINC001576156580 949450003 /nfs/dbraw/zinc/45/00/03/949450003.db2.gz NGWMXPHGDHBTAR-ACJLOTCBSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[NH+](C)C ZINC001576156580 949450014 /nfs/dbraw/zinc/45/00/14/949450014.db2.gz NGWMXPHGDHBTAR-ACJLOTCBSA-N 0 1 387.492 1.085 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706850 949463477 /nfs/dbraw/zinc/46/34/77/949463477.db2.gz MYNRYWLTFVFOGO-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574706850 949463489 /nfs/dbraw/zinc/46/34/89/949463489.db2.gz MYNRYWLTFVFOGO-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001574469151 949472124 /nfs/dbraw/zinc/47/21/24/949472124.db2.gz XQSMXJSOUYOLTI-ZDUSSCGKSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575537435 949494644 /nfs/dbraw/zinc/49/46/44/949494644.db2.gz UUTGWSFFNODLCY-HNAYVOBHSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)n1nccc1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574470363 949499428 /nfs/dbraw/zinc/49/94/28/949499428.db2.gz OHBQCQFIBQRRPG-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN CC1(C(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CC(F)(F)C1 ZINC001575537814 949501241 /nfs/dbraw/zinc/50/12/41/949501241.db2.gz XXOYWFGHZKQVLA-UHFFFAOYSA-N 0 1 377.399 1.522 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001576159048 949512546 /nfs/dbraw/zinc/51/25/46/949512546.db2.gz WBUNAUZGZSFCDA-KBPBESRZSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](NC(=O)CCC(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575268189 949514553 /nfs/dbraw/zinc/51/45/53/949514553.db2.gz LVSZBFLNNKJKPO-SNVBAGLBSA-N 0 1 382.390 1.988 20 0 GDADMN CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCC1 ZINC001575538684 949525512 /nfs/dbraw/zinc/52/55/12/949525512.db2.gz IXAIPPHLGDFJMS-SFHVURJKSA-N 0 1 390.513 1.562 20 0 GDADMN CC1(C(=O)N2CCC[C@](CO)([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCC1 ZINC001575538684 949525531 /nfs/dbraw/zinc/52/55/31/949525531.db2.gz IXAIPPHLGDFJMS-SFHVURJKSA-N 0 1 390.513 1.562 20 0 GDADMN CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574122454 949527551 /nfs/dbraw/zinc/52/75/51/949527551.db2.gz WXBGURLNJZOZFH-INIZCTEOSA-N 0 1 392.467 1.923 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574711259 949531095 /nfs/dbraw/zinc/53/10/95/949531095.db2.gz FMFAGJYOQGLBEN-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574711259 949531153 /nfs/dbraw/zinc/53/11/53/949531153.db2.gz FMFAGJYOQGLBEN-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574711259 949531179 /nfs/dbraw/zinc/53/11/79/949531179.db2.gz FMFAGJYOQGLBEN-BDAKNGLRSA-N 0 1 384.897 1.187 20 0 GDADMN CC1(C(=O)N2CCC[C@](CO)(NCc3cc(-c4nn[nH]n4)ccc3F)C2)CC1 ZINC001575538918 949538604 /nfs/dbraw/zinc/53/86/04/949538604.db2.gz KZTQCJLFQGGEHH-IBGZPJMESA-N 0 1 388.447 1.249 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574711726 949549877 /nfs/dbraw/zinc/54/98/77/949549877.db2.gz KVFSXJOQXHCTNK-ZDUSSCGKSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574711726 949549891 /nfs/dbraw/zinc/54/98/91/949549891.db2.gz KVFSXJOQXHCTNK-ZDUSSCGKSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC2(C)CC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164582 949558632 /nfs/dbraw/zinc/55/86/32/949558632.db2.gz HOLZZHRTCSUMOR-KGLIPLIRSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164894 949560046 /nfs/dbraw/zinc/56/00/46/949560046.db2.gz IEWVZEJNEDELPG-QWHCGFSZSA-N 0 1 388.451 1.257 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCCN1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576165335 949569360 /nfs/dbraw/zinc/56/93/60/949569360.db2.gz JRLUJTBEDWQIHO-CXAGYDPISA-N 0 1 387.488 1.452 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574714493 949628499 /nfs/dbraw/zinc/62/84/99/949628499.db2.gz DRFLLIBEQBOPKF-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001574477051 949632888 /nfs/dbraw/zinc/63/28/88/949632888.db2.gz ODCPWCUSSQCPJT-HNNXBMFYSA-N 0 1 382.472 1.999 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957847 949637514 /nfs/dbraw/zinc/63/75/14/949637514.db2.gz ATQPMWOICVMQAB-BYCMXARLSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574957847 949637525 /nfs/dbraw/zinc/63/75/25/949637525.db2.gz ATQPMWOICVMQAB-BYCMXARLSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@H](CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001574477262 949646953 /nfs/dbraw/zinc/64/69/53/949646953.db2.gz PNDSGTRIPIUVRK-PBHICJAKSA-N 0 1 387.488 1.752 20 0 GDADMN C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574957994 949648063 /nfs/dbraw/zinc/64/80/63/949648063.db2.gz KOHOMAMBPBPQQC-TVZGQMOCSA-N 0 1 378.440 1.189 20 0 GDADMN C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574477458 949655019 /nfs/dbraw/zinc/65/50/19/949655019.db2.gz RHJVGMDTWOKMIS-UONOGXRCSA-N 0 1 389.504 1.377 20 0 GDADMN C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574958786 949693180 /nfs/dbraw/zinc/69/31/80/949693180.db2.gz WQJILUVBLMAQBG-HXFLIBJXSA-N 0 1 383.865 1.033 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880247 949700343 /nfs/dbraw/zinc/70/03/43/949700343.db2.gz SWDGLKFWXOJMMY-JSGCOSHPSA-N 0 1 382.428 1.356 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+](C)C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574717311 949734372 /nfs/dbraw/zinc/73/43/72/949734372.db2.gz OYMLLJZOWVWYLV-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+](C)C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574717311 949734382 /nfs/dbraw/zinc/73/43/82/949734382.db2.gz OYMLLJZOWVWYLV-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170929 949744454 /nfs/dbraw/zinc/74/44/54/949744454.db2.gz OJCHOFULFMBBIJ-UKRRQHHQSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170929 949744469 /nfs/dbraw/zinc/74/44/69/949744469.db2.gz OJCHOFULFMBBIJ-UKRRQHHQSA-N 0 1 387.492 1.038 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575559681 949764710 /nfs/dbraw/zinc/76/47/10/949764710.db2.gz XWLQVVYDLWSANE-BEFAXECRSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574481637 949794785 /nfs/dbraw/zinc/79/47/85/949794785.db2.gz SLIYMGRDLWSEHM-WDEREUQCSA-N 0 1 383.378 1.533 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720782 949807285 /nfs/dbraw/zinc/80/72/85/949807285.db2.gz HDWQLXBSIZKFOE-GFCCVEGCSA-N 0 1 384.419 1.109 20 0 GDADMN C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575281408 949808106 /nfs/dbraw/zinc/80/81/06/949808106.db2.gz FYZUEBORMQFPPA-NWDGAFQWSA-N 0 1 385.403 1.207 20 0 GDADMN CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574139529 949816061 /nfs/dbraw/zinc/81/60/61/949816061.db2.gz KCSOBFMXZGJSOO-UONOGXRCSA-N 0 1 388.476 1.050 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574140599 949838929 /nfs/dbraw/zinc/83/89/29/949838929.db2.gz OPBYWNNZAMKYRE-KBXIAJHMSA-N 0 1 384.488 1.955 20 0 GDADMN C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576174094 949850480 /nfs/dbraw/zinc/85/04/80/949850480.db2.gz ZUOXEAFZLLVGSA-ZIAGYGMSSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574722993 949851781 /nfs/dbraw/zinc/85/17/81/949851781.db2.gz ZELWJEONGBRLCX-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574722993 949851806 /nfs/dbraw/zinc/85/18/06/949851806.db2.gz ZELWJEONGBRLCX-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576178224 949884110 /nfs/dbraw/zinc/88/41/10/949884110.db2.gz GTHMZMQRRQRCLY-JQWIXIFHSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H](NC(=O)COCC(F)F)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575284807 949916499 /nfs/dbraw/zinc/91/64/99/949916499.db2.gz WRTHOBLBQUCFGL-VIFPVBQESA-N 0 1 386.428 1.146 20 0 GDADMN CC(C)(C)/C=C\C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573827188 949916558 /nfs/dbraw/zinc/91/65/58/949916558.db2.gz KRFFQENIPMJDSP-JKEYDSJLSA-N 0 1 384.488 1.864 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cncc1F)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574968972 949925094 /nfs/dbraw/zinc/92/50/94/949925094.db2.gz XFCCXNSFVFRQFS-VIFPVBQESA-N 0 1 391.357 1.587 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180172 949943742 /nfs/dbraw/zinc/94/37/42/949943742.db2.gz NFPKYOICZBVPSM-NHYWBVRUSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180912 949974119 /nfs/dbraw/zinc/97/41/19/949974119.db2.gz FZHKVMLNNKHDMI-KBPBESRZSA-N 0 1 381.440 1.416 20 0 GDADMN CCC[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@@H]1CC(=O)N(C)C1=O ZINC001589674411 949979029 /nfs/dbraw/zinc/97/90/29/949979029.db2.gz SUYKLPWCLLWJMA-DZGCQCFKSA-N 0 1 377.441 1.550 20 0 GDADMN CCC[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)[C@@H]1CC(=O)N(C)C1=O ZINC001589674411 949979045 /nfs/dbraw/zinc/97/90/45/949979045.db2.gz SUYKLPWCLLWJMA-DZGCQCFKSA-N 0 1 377.441 1.550 20 0 GDADMN C[C@@H](C(=O)[O-])[N@@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001602820328 971624848 /nfs/dbraw/zinc/62/48/48/971624848.db2.gz RFMOQUDHYAKZGU-UONOGXRCSA-N 0 1 383.489 1.687 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181290 949997824 /nfs/dbraw/zinc/99/78/24/949997824.db2.gz HFSDALYQEBUDRW-KGLIPLIRSA-N 0 1 380.456 1.151 20 0 GDADMN CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC001589676862 950001889 /nfs/dbraw/zinc/00/18/89/950001889.db2.gz IETXLECUODXGIC-MRXNPFEDSA-N 0 1 382.505 1.406 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1cnon1 ZINC001574150609 950033049 /nfs/dbraw/zinc/03/30/49/950033049.db2.gz CLGVFUQDWIWYTK-CYBMUJFWSA-N 0 1 388.407 1.323 20 0 GDADMN CC(C)C[C@@H](CN[C@H](C)c1cnccn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574150848 950043140 /nfs/dbraw/zinc/04/31/40/950043140.db2.gz FJYVZGNRFUHHID-OCCSQVGLSA-N 0 1 383.460 1.480 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cscn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574732210 950062300 /nfs/dbraw/zinc/06/23/00/950062300.db2.gz HAKNXZISOIQUQG-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cscn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574732210 950062304 /nfs/dbraw/zinc/06/23/04/950062304.db2.gz HAKNXZISOIQUQG-JTQLQIEISA-N 0 1 377.499 1.564 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccon1 ZINC001574151838 950094244 /nfs/dbraw/zinc/09/42/44/950094244.db2.gz ZCGGKDLDMWFENT-LLVKDONJSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccon1 ZINC001574151838 950094262 /nfs/dbraw/zinc/09/42/62/950094262.db2.gz ZCGGKDLDMWFENT-LLVKDONJSA-N 0 1 375.458 1.851 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574492859 950107471 /nfs/dbraw/zinc/10/74/71/950107471.db2.gz DGKTXYNCCKMUAE-QWHCGFSZSA-N 0 1 375.477 1.035 20 0 GDADMN C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184108 950117748 /nfs/dbraw/zinc/11/77/48/950117748.db2.gz UAIIDQDATRKDGC-QWHCGFSZSA-N 0 1 382.472 1.165 20 0 GDADMN CC1(C(=O)NC[C@@]2(O)CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCC1 ZINC001575582573 950120372 /nfs/dbraw/zinc/12/03/72/950120372.db2.gz KOAOOBXQIKDNMS-IBGZPJMESA-N 0 1 388.447 1.249 20 0 GDADMN CCC[N@H+](CC(=O)[O-])[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000262403304 950120597 /nfs/dbraw/zinc/12/05/97/950120597.db2.gz VNRJZIOOBNZGAN-INIZCTEOSA-N 0 1 377.485 1.320 20 0 GDADMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000262403304 950120609 /nfs/dbraw/zinc/12/06/09/950120609.db2.gz VNRJZIOOBNZGAN-INIZCTEOSA-N 0 1 377.485 1.320 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897624 950141872 /nfs/dbraw/zinc/14/18/72/950141872.db2.gz PILKUZANSIJMHJ-DYVFJYSZSA-N 0 1 378.440 1.440 20 0 GDADMN CC1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575585412 950194267 /nfs/dbraw/zinc/19/42/67/950194267.db2.gz YPFWRUUJBBVELB-UHFFFAOYSA-N 0 1 390.513 1.729 20 0 GDADMN CC1(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575585412 950194277 /nfs/dbraw/zinc/19/42/77/950194277.db2.gz YPFWRUUJBBVELB-UHFFFAOYSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H]1CCN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576191410 950196658 /nfs/dbraw/zinc/19/66/58/950196658.db2.gz FWUSPVRJVIIQFH-NWDGAFQWSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@H]1CCN(C(=O)c2cocn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576191410 950196673 /nfs/dbraw/zinc/19/66/73/950196673.db2.gz FWUSPVRJVIIQFH-NWDGAFQWSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CCOC1 ZINC001575585595 950197759 /nfs/dbraw/zinc/19/77/59/950197759.db2.gz AYUHFKFKQHJJHB-YVEFUNNKSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585595 950197788 /nfs/dbraw/zinc/19/77/88/950197788.db2.gz AYUHFKFKQHJJHB-YVEFUNNKSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575585595 950197806 /nfs/dbraw/zinc/19/78/06/950197806.db2.gz AYUHFKFKQHJJHB-YVEFUNNKSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585595 950197826 /nfs/dbraw/zinc/19/78/26/950197826.db2.gz AYUHFKFKQHJJHB-YVEFUNNKSA-N 0 1 376.486 1.293 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575585595 950197838 /nfs/dbraw/zinc/19/78/38/950197838.db2.gz AYUHFKFKQHJJHB-YVEFUNNKSA-N 0 1 376.486 1.293 20 0 GDADMN CC(C)(C)CCCN1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573844623 950200861 /nfs/dbraw/zinc/20/08/61/950200861.db2.gz KUYRTNYWNZJUTD-CQSZACIVSA-N 0 1 375.477 1.452 20 0 GDADMN CC(C)(C)CCN1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001573845173 950219163 /nfs/dbraw/zinc/21/91/63/950219163.db2.gz UATNNLFDOXOSRL-ZDUSSCGKSA-N 0 1 387.488 1.594 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cnsn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575901146 950220678 /nfs/dbraw/zinc/22/06/78/950220678.db2.gz LSVSDLWGTKNGOX-BXUZGUMPSA-N 0 1 384.469 1.501 20 0 GDADMN CC1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575586491 950225992 /nfs/dbraw/zinc/22/59/92/950225992.db2.gz JHIRKHMMWIZDKC-SNVBAGLBSA-N 0 1 378.387 1.035 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573845542 950230901 /nfs/dbraw/zinc/23/09/01/950230901.db2.gz GNCLGMDPXXFEAL-BFHYXJOUSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCCCCC1 ZINC001575588183 950245571 /nfs/dbraw/zinc/24/55/71/950245571.db2.gz QCDAYIWMXBFZRZ-CQSZACIVSA-N 0 1 384.488 1.960 20 0 GDADMN C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576193359 950296017 /nfs/dbraw/zinc/29/60/17/950296017.db2.gz TZVUTBIXCPNPOI-AAEUAGOBSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576193359 950296038 /nfs/dbraw/zinc/29/60/38/950296038.db2.gz TZVUTBIXCPNPOI-AAEUAGOBSA-N 0 1 386.485 1.539 20 0 GDADMN CC1(C(=O)NCCN2CCN(Cc3ccccc3-c3nn[nH]n3)CC2)CCC1 ZINC001575593225 950307180 /nfs/dbraw/zinc/30/71/80/950307180.db2.gz MXBNLGZOKGPNRM-UHFFFAOYSA-N 0 1 383.500 1.291 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907633 950342801 /nfs/dbraw/zinc/34/28/01/950342801.db2.gz PYWOLALUTUSICE-IUODEOHRSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CC1CCOCC1 ZINC001575907633 950342816 /nfs/dbraw/zinc/34/28/16/950342816.db2.gz PYWOLALUTUSICE-IUODEOHRSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263310629 950361138 /nfs/dbraw/zinc/36/11/38/950361138.db2.gz HXKLQUINABKYAD-KZNAEPCWSA-N 0 1 388.512 1.949 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccncc1F ZINC001575908621 950373946 /nfs/dbraw/zinc/37/39/46/950373946.db2.gz VUWAVISXVBLCRF-IINYFYTJSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccncc1F ZINC001575908621 950373963 /nfs/dbraw/zinc/37/39/63/950373963.db2.gz VUWAVISXVBLCRF-IINYFYTJSA-N 0 1 387.444 1.855 20 0 GDADMN CC1CC[NH+](CC(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CC1 ZINC001576196920 950375550 /nfs/dbraw/zinc/37/55/50/950375550.db2.gz JASXCDMNVREIES-CQSZACIVSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574503496 950415061 /nfs/dbraw/zinc/41/50/61/950415061.db2.gz XJMHODPORUOHPI-ZJUUUORDSA-N 0 1 384.366 1.188 20 0 GDADMN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573861062 950436273 /nfs/dbraw/zinc/43/62/73/950436273.db2.gz RAWGFJOONILDNL-SGTLLEGYSA-N 0 1 386.460 1.788 20 0 GDADMN C[C@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576204300 950458558 /nfs/dbraw/zinc/45/85/58/950458558.db2.gz NNXWXOLKNKAODG-CHWSQXEVSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576204300 950458568 /nfs/dbraw/zinc/45/85/68/950458568.db2.gz NNXWXOLKNKAODG-CHWSQXEVSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N[C@@H](C)c1ccc(F)cc1F ZINC001574993585 950463179 /nfs/dbraw/zinc/46/31/79/950463179.db2.gz LIMULOLFVOFZLO-UWVGGRQHSA-N 0 1 375.383 1.942 20 0 GDADMN CC1CC[NH+](CC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)CC1 ZINC001576205174 950501928 /nfs/dbraw/zinc/50/19/28/950501928.db2.gz VXBCIXMTWWHINV-UHFFFAOYSA-N 0 1 387.463 1.386 20 0 GDADMN C[C@]1(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380026773 971670993 /nfs/dbraw/zinc/67/09/93/971670993.db2.gz VGBLUBLUXMGORD-YLJYHZDGSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cnc(Cl)s1 ZINC001574754809 950587162 /nfs/dbraw/zinc/58/71/62/950587162.db2.gz QNGZEZDXBIWVAP-MRVPVSSYSA-N 0 1 380.865 1.555 20 0 GDADMN CC1(C)C(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)C1(C)C ZINC001575619110 950616355 /nfs/dbraw/zinc/61/63/55/950616355.db2.gz MXDOKMORJSYKBX-BETUJISGSA-N 0 1 381.484 1.839 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccc2nn[nH]c21)Nc1ncccc1-c1nn[nH]n1 ZINC001574758587 950617389 /nfs/dbraw/zinc/61/73/89/950617389.db2.gz DXYWWRIHKWRRKY-JTQLQIEISA-N 0 1 378.400 1.106 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCCc1ccccc1 ZINC001575923259 950654246 /nfs/dbraw/zinc/65/42/46/950654246.db2.gz PZHVZPKBTJWYNN-ZBFHGGJFSA-N 0 1 392.467 1.503 20 0 GDADMN C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575005325 950677990 /nfs/dbraw/zinc/67/79/90/950677990.db2.gz AYWMGWLBZHIZLV-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575005325 950678001 /nfs/dbraw/zinc/67/80/01/950678001.db2.gz AYWMGWLBZHIZLV-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001575925390 950684507 /nfs/dbraw/zinc/68/45/07/950684507.db2.gz URNAWGXBRSODIO-BXUZGUMPSA-N 0 1 389.423 1.275 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CN(C)c1ccccc1 ZINC001575925581 950689996 /nfs/dbraw/zinc/68/99/96/950689996.db2.gz HPYDRKSEJJXVKW-YOEHRIQHSA-N 0 1 392.467 1.221 20 0 GDADMN CC1(C)CC(C(=O)NC2(CNc3ccncc3-c3nn[nH]n3)CCOCC2)C1 ZINC001575628302 950719130 /nfs/dbraw/zinc/71/91/30/950719130.db2.gz CEZMEBKHRZRTGL-UHFFFAOYSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576216218 950725428 /nfs/dbraw/zinc/72/54/28/950725428.db2.gz DCGKFLPGLKQMRQ-RISCZKNCSA-N 0 1 382.472 1.021 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926988 950731394 /nfs/dbraw/zinc/73/13/94/950731394.db2.gz NBVACXYTDAASFY-MFKMUULPSA-N 0 1 380.412 1.264 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001575629938 950752544 /nfs/dbraw/zinc/75/25/44/950752544.db2.gz VLMOSEJDWDYFOE-IAGOWNOFSA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574767137 950837961 /nfs/dbraw/zinc/83/79/61/950837961.db2.gz MECFIIBPQWNQBE-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576221641 950856992 /nfs/dbraw/zinc/85/69/92/950856992.db2.gz VUJZJPRTOVOMQA-PWSUYJOCSA-N 0 1 379.415 1.624 20 0 GDADMN CC(C)c1cnc(CN[C@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574527903 950915294 /nfs/dbraw/zinc/91/52/94/950915294.db2.gz IJNVXJJEBUYDJT-VXGBXAGGSA-N 0 1 386.460 1.993 20 0 GDADMN C[C@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575936992 950936612 /nfs/dbraw/zinc/93/66/12/950936612.db2.gz BVSXNWCIGVNJOW-STQMWFEESA-N 0 1 378.502 1.634 20 0 GDADMN C[C@H]1C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575936992 950936631 /nfs/dbraw/zinc/93/66/31/950936631.db2.gz BVSXNWCIGVNJOW-STQMWFEESA-N 0 1 378.502 1.634 20 0 GDADMN C[C@H]1C[C@H](C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575936992 950936649 /nfs/dbraw/zinc/93/66/49/950936649.db2.gz BVSXNWCIGVNJOW-STQMWFEESA-N 0 1 378.502 1.634 20 0 GDADMN C[C@H]1C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575936992 950936668 /nfs/dbraw/zinc/93/66/68/950936668.db2.gz BVSXNWCIGVNJOW-STQMWFEESA-N 0 1 378.502 1.634 20 0 GDADMN CC(C)CCCN1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nn[nH]n3)[nH]1)O2 ZINC001574195365 950984183 /nfs/dbraw/zinc/98/41/83/950984183.db2.gz MIACGKLYGYYDRJ-AWEZNQCLSA-N 0 1 387.488 1.594 20 0 GDADMN CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573899732 950989690 /nfs/dbraw/zinc/98/96/90/950989690.db2.gz JDHQYUIEMXWSJB-SECBINFHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(C)(C)C)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575017392 950992122 /nfs/dbraw/zinc/99/21/22/950992122.db2.gz DVBVVMFXBBDBHK-SNVBAGLBSA-N 0 1 386.485 1.668 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc(Cl)ccc1F ZINC001575018996 951026803 /nfs/dbraw/zinc/02/68/03/951026803.db2.gz SESWBEDYTYXDRQ-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575019554 951040551 /nfs/dbraw/zinc/04/05/51/951040551.db2.gz ULJHKXKLPKSRLV-MRVPVSSYSA-N 0 1 378.343 1.087 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575022807 951074237 /nfs/dbraw/zinc/07/42/37/951074237.db2.gz JUNBEIUEVZNZHY-LBPRGKRZSA-N 0 1 378.440 1.789 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575023817 951083229 /nfs/dbraw/zinc/08/32/29/951083229.db2.gz PWDAJRWDOYPPGB-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@@H](COC)C2)c(C(=O)[O-])c1C ZINC001591466384 951143795 /nfs/dbraw/zinc/14/37/95/951143795.db2.gz DWMQYJIQDKPZGQ-LLVKDONJSA-N 0 1 384.454 1.838 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@@H](COC)C2)c(C(=O)[O-])c1C ZINC001591466384 951143801 /nfs/dbraw/zinc/14/38/01/951143801.db2.gz DWMQYJIQDKPZGQ-LLVKDONJSA-N 0 1 384.454 1.838 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CO1 ZINC001595002140 951144312 /nfs/dbraw/zinc/14/43/12/951144312.db2.gz RUAYUGYEACCHJU-KZNAEPCWSA-N 0 1 392.521 1.990 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CO1 ZINC001595002140 951144316 /nfs/dbraw/zinc/14/43/16/951144316.db2.gz RUAYUGYEACCHJU-KZNAEPCWSA-N 0 1 392.521 1.990 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575027703 951163207 /nfs/dbraw/zinc/16/32/07/951163207.db2.gz IGYSBUVWAKHVCI-CYBMUJFWSA-N 0 1 392.467 1.435 20 0 GDADMN C[C@H](CNC(=O)c1ccncc1C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575033838 951230530 /nfs/dbraw/zinc/23/05/30/951230530.db2.gz CIWPELRWMKFZDU-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575043597 951400612 /nfs/dbraw/zinc/40/06/12/951400612.db2.gz KPZNHOOLRLCJSD-SECBINFHSA-N 0 1 387.473 1.063 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575044229 951409731 /nfs/dbraw/zinc/40/97/31/951409731.db2.gz YBBOEQTXZGIMOT-JTQLQIEISA-N 0 1 387.473 1.153 20 0 GDADMN C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575044229 951409742 /nfs/dbraw/zinc/40/97/42/951409742.db2.gz YBBOEQTXZGIMOT-JTQLQIEISA-N 0 1 387.473 1.153 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(F)c1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575046278 951438683 /nfs/dbraw/zinc/43/86/83/951438683.db2.gz MHKNMSIMFYRCCW-NSHDSACASA-N 0 1 387.394 1.790 20 0 GDADMN C[C@@H](CNC(=O)c1csc(Cl)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575055823 951512411 /nfs/dbraw/zinc/51/24/11/951512411.db2.gz AMOBNHODLPVSOX-MRVPVSSYSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@H](CNC(=O)c1csnn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575062108 951565606 /nfs/dbraw/zinc/56/56/06/951565606.db2.gz TYOACMCFLQCTHR-RXMQYKEDSA-N 0 1 385.866 1.083 20 0 GDADMN C[C@@H](CNC(=O)c1nc(Cl)cs1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575062387 951569622 /nfs/dbraw/zinc/56/96/22/951569622.db2.gz VQFIEOUHTCNFFE-ZETCQYMHSA-N 0 1 379.837 1.021 20 0 GDADMN C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575070522 951652455 /nfs/dbraw/zinc/65/24/55/951652455.db2.gz RAOLMUREWXKPAO-VIFPVBQESA-N 0 1 387.473 1.063 20 0 GDADMN C[C@H](CNC(=O)c1scnc1Cl)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575071254 951656931 /nfs/dbraw/zinc/65/69/31/951656931.db2.gz ZBIBNIGZAZFEPU-SSDOTTSWSA-N 0 1 383.890 1.946 20 0 GDADMN C[C@H](CNC(=O)c1scnc1Cl)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575071254 951656936 /nfs/dbraw/zinc/65/69/36/951656936.db2.gz ZBIBNIGZAZFEPU-SSDOTTSWSA-N 0 1 383.890 1.946 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1n[nH]cc1F ZINC001575088756 951742636 /nfs/dbraw/zinc/74/26/36/951742636.db2.gz CHUAYSJTXASULO-VIFPVBQESA-N 0 1 376.371 1.118 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575088724 951743145 /nfs/dbraw/zinc/74/31/45/951743145.db2.gz BSAQCHUXVDSZTI-QGZVFWFLSA-N 0 1 386.485 1.269 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575088724 951743153 /nfs/dbraw/zinc/74/31/53/951743153.db2.gz BSAQCHUXVDSZTI-QGZVFWFLSA-N 0 1 386.485 1.269 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575089412 951750073 /nfs/dbraw/zinc/75/00/73/951750073.db2.gz FLNALHJRJTYTNW-FZKQIMNGSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575089412 951750079 /nfs/dbraw/zinc/75/00/79/951750079.db2.gz FLNALHJRJTYTNW-FZKQIMNGSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099424 951834334 /nfs/dbraw/zinc/83/43/34/951834334.db2.gz LSDWURDZJQSYCE-JTQLQIEISA-N 0 1 375.433 1.618 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099424 951834343 /nfs/dbraw/zinc/83/43/43/951834343.db2.gz LSDWURDZJQSYCE-JTQLQIEISA-N 0 1 375.433 1.618 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100505 951843863 /nfs/dbraw/zinc/84/38/63/951843863.db2.gz TVZCFOCLBWSPAO-LBPRGKRZSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100505 951843872 /nfs/dbraw/zinc/84/38/72/951843872.db2.gz TVZCFOCLBWSPAO-LBPRGKRZSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100561 951847678 /nfs/dbraw/zinc/84/76/78/951847678.db2.gz UFUAUNJFKCMTBF-CYBMUJFWSA-N 0 1 385.497 1.798 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100561 951847694 /nfs/dbraw/zinc/84/76/94/951847694.db2.gz UFUAUNJFKCMTBF-CYBMUJFWSA-N 0 1 385.497 1.798 20 0 GDADMN C[C@@H](CNCc1cccc(F)c1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575114317 951956519 /nfs/dbraw/zinc/95/65/19/951956519.db2.gz PEHHCCAGHJJHTM-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CNCc1cccc(F)c1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575115181 951962776 /nfs/dbraw/zinc/96/27/76/951962776.db2.gz VKAHAXKTBUCQAV-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CNCc1nnc(C2CC2)s1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575116750 951973479 /nfs/dbraw/zinc/97/34/79/951973479.db2.gz HNDNNDDOCJBWLF-VIFPVBQESA-N 0 1 387.473 1.079 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575137044 952132889 /nfs/dbraw/zinc/13/28/89/952132889.db2.gz SIIPOGYFXXHALB-LJQANCHMSA-N 0 1 378.440 1.074 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575145066 952177577 /nfs/dbraw/zinc/17/75/77/952177577.db2.gz OZRDQMBZUWKZKE-OAHLLOKOSA-N 0 1 383.378 1.723 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cc2c([nH]1)CCC2)C1CC1 ZINC001575145168 952178091 /nfs/dbraw/zinc/17/80/91/952178091.db2.gz RPJLHQZOYIECNX-HXUWFJFHSA-N 0 1 392.467 1.511 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575146825 952197015 /nfs/dbraw/zinc/19/70/15/952197015.db2.gz OKGYGCSDMQKKQE-NSHDSACASA-N 0 1 382.428 1.123 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575146837 952197585 /nfs/dbraw/zinc/19/75/85/952197585.db2.gz OPWSMJYUKWRLNE-VHDGCEQUSA-N 0 1 378.440 1.141 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575148132 952202144 /nfs/dbraw/zinc/20/21/44/952202144.db2.gz XUKYSOSJFYMICM-AEGPPILISA-N 0 1 385.472 1.005 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575165327 952307376 /nfs/dbraw/zinc/30/73/76/952307376.db2.gz NJZRSRNSMKZPOL-DTWKUNHWSA-N 0 1 385.881 1.805 20 0 GDADMN C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001575165657 952311531 /nfs/dbraw/zinc/31/15/31/952311531.db2.gz UYUNZKLFVOBESU-YUSALJHKSA-N 0 1 385.407 1.186 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575174127 952366439 /nfs/dbraw/zinc/36/64/39/952366439.db2.gz HPVTXFIZIJKKEB-KGLIPLIRSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575174127 952366446 /nfs/dbraw/zinc/36/64/46/952366446.db2.gz HPVTXFIZIJKKEB-KGLIPLIRSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575174127 952366454 /nfs/dbraw/zinc/36/64/54/952366454.db2.gz HPVTXFIZIJKKEB-KGLIPLIRSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575174127 952366457 /nfs/dbraw/zinc/36/64/57/952366457.db2.gz HPVTXFIZIJKKEB-KGLIPLIRSA-N 0 1 387.492 1.178 20 0 GDADMN O=C([C@H]1Cc2ccccc21)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571117142 952479411 /nfs/dbraw/zinc/47/94/11/952479411.db2.gz HDPKXHXSAAXRBI-ZBFHGGJFSA-N 0 1 375.436 1.426 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCC1(F)F ZINC001571120370 952502621 /nfs/dbraw/zinc/50/26/21/952502621.db2.gz LUNCGUMTDNVUQO-UKRRQHHQSA-N 0 1 376.411 1.993 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120657 952507075 /nfs/dbraw/zinc/50/70/75/952507075.db2.gz OWXSTORCZCCGAZ-KWQFWETISA-N 0 1 376.421 1.183 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1n[nH]cc1F ZINC001571120657 952507081 /nfs/dbraw/zinc/50/70/81/952507081.db2.gz OWXSTORCZCCGAZ-KWQFWETISA-N 0 1 376.421 1.183 20 0 GDADMN O=C(c1cscn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571120792 952508721 /nfs/dbraw/zinc/50/87/21/952508721.db2.gz QDKUYRUAUDTMGG-JTQLQIEISA-N 0 1 375.483 1.779 20 0 GDADMN O=C(c1cscn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571120792 952508727 /nfs/dbraw/zinc/50/87/27/952508727.db2.gz QDKUYRUAUDTMGG-JTQLQIEISA-N 0 1 375.483 1.779 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001575203363 952521176 /nfs/dbraw/zinc/52/11/76/952521176.db2.gz UWWXJSOBXUEMIF-TZMCWYRMSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571124681 952542850 /nfs/dbraw/zinc/54/28/50/952542850.db2.gz RBZWMMSZRAHPNV-MFKMUULPSA-N 0 1 377.399 1.378 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571124674 952542961 /nfs/dbraw/zinc/54/29/61/952542961.db2.gz QZNVQTQXCVPCNB-MNOVXSKESA-N 0 1 377.399 1.235 20 0 GDADMN Cc1cccc(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571127364 952553927 /nfs/dbraw/zinc/55/39/27/952553927.db2.gz FLOJSFPGKWOASS-KRWDZBQOSA-N 0 1 377.452 1.965 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575214051 952561227 /nfs/dbraw/zinc/56/12/27/952561227.db2.gz GEBNXGZZARUCRW-MGCOHNPYSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)Cc2ccccc2)C1 ZINC001571128433 952567592 /nfs/dbraw/zinc/56/75/92/952567592.db2.gz RXRINPOXFVFRGL-FQEVSTJZSA-N 0 1 377.452 1.577 20 0 GDADMN CCc1n[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571134407 952589354 /nfs/dbraw/zinc/58/93/54/952589354.db2.gz FRXAOLZKXJVYQV-QLPKVWCKSA-N 0 1 378.440 1.012 20 0 GDADMN Cc1cccc(C(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134373 952589652 /nfs/dbraw/zinc/58/96/52/952589652.db2.gz HVSHEOVYUOWKKP-CABCVRRESA-N 0 1 378.440 1.540 20 0 GDADMN CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571134949 952597357 /nfs/dbraw/zinc/59/73/57/952597357.db2.gz NXXMHJBSYLDXKI-DZGCQCFKSA-N 0 1 378.440 1.431 20 0 GDADMN C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001571135181 952600905 /nfs/dbraw/zinc/60/09/05/952600905.db2.gz QTSQVJHIDCFZQM-ZDUSSCGKSA-N 0 1 378.440 1.285 20 0 GDADMN O=C(Cc1cccnc1)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571141462 952634075 /nfs/dbraw/zinc/63/40/75/952634075.db2.gz HAEAMYATYISKQU-IAGOWNOFSA-N 0 1 378.440 1.161 20 0 GDADMN Cc1coc(C(=O)N[C@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)c1 ZINC001571142601 952643811 /nfs/dbraw/zinc/64/38/11/952643811.db2.gz XXVXGISFOIXRCH-INIZCTEOSA-N 0 1 379.424 1.952 20 0 GDADMN O=C(c1cc[nH]c(=O)c1)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571148439 952667225 /nfs/dbraw/zinc/66/72/25/952667225.db2.gz ZOCIRNVYGDIODR-UHFFFAOYSA-N 0 1 379.424 1.315 20 0 GDADMN Cc1cc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ncn1 ZINC001571157100 952706123 /nfs/dbraw/zinc/70/61/23/952706123.db2.gz MJQSCDIOBCFNGH-ZDUSSCGKSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1cnc(C(=O)NC[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571157111 952707343 /nfs/dbraw/zinc/70/73/43/952707343.db2.gz MLMSZPGRQXVZPE-ZDUSSCGKSA-N 0 1 379.428 1.007 20 0 GDADMN CCc1[nH]ccc1C(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571167135 952770090 /nfs/dbraw/zinc/77/00/90/952770090.db2.gz WHYUDQPAWFEZDP-UHFFFAOYSA-N 0 1 380.456 1.599 20 0 GDADMN CCc1[nH]ccc1C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571167214 952771237 /nfs/dbraw/zinc/77/12/37/952771237.db2.gz YJRJKSVMQVDPSA-ZDUSSCGKSA-N 0 1 380.456 1.799 20 0 GDADMN Cc1cc(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)c(C)[nH]1 ZINC001571169630 952775742 /nfs/dbraw/zinc/77/57/42/952775742.db2.gz IPPSQDAHAAYYSV-CQSZACIVSA-N 0 1 380.456 1.914 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571170909 952790533 /nfs/dbraw/zinc/79/05/33/952790533.db2.gz ZFIHHKFULMMKMG-ZBEGNZNMSA-N 0 1 380.456 1.591 20 0 GDADMN Cn1cnc(C(=O)NC[C@H]2CCCCN2Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571172034 952800650 /nfs/dbraw/zinc/80/06/50/952800650.db2.gz KWLRZYFALCUUKP-MRXNPFEDSA-N 0 1 380.456 1.385 20 0 GDADMN Cc1ncccc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C ZINC001571172076 952801955 /nfs/dbraw/zinc/80/19/55/952801955.db2.gz LONUUCBYVOJIII-WBMJQRKESA-N 0 1 380.456 1.681 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172551 952808199 /nfs/dbraw/zinc/80/81/99/952808199.db2.gz XBLINWRFQBXCTR-NEPJUHHUSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172551 952808203 /nfs/dbraw/zinc/80/82/03/952808203.db2.gz XBLINWRFQBXCTR-NEPJUHHUSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172551 952808206 /nfs/dbraw/zinc/80/82/06/952808206.db2.gz XBLINWRFQBXCTR-NEPJUHHUSA-N 0 1 380.543 1.960 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172551 952808209 /nfs/dbraw/zinc/80/82/09/952808209.db2.gz XBLINWRFQBXCTR-NEPJUHHUSA-N 0 1 380.543 1.960 20 0 GDADMN O=C(C1CC2(CCC2)C1)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571172562 952808303 /nfs/dbraw/zinc/80/83/03/952808303.db2.gz XFOMCWDVBAZRKZ-OKILXGFUSA-N 0 1 380.456 1.132 20 0 GDADMN Cc1nc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2C)c(C)o1 ZINC001571179677 952856179 /nfs/dbraw/zinc/85/61/79/952856179.db2.gz JFVAPROQBQZLQF-BDJLRTHQSA-N 0 1 381.440 1.722 20 0 GDADMN Cc1ccc(CC(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC001571181433 952864010 /nfs/dbraw/zinc/86/40/10/952864010.db2.gz XAFVKBRRJAQEMX-BDJLRTHQSA-N 0 1 381.440 1.655 20 0 GDADMN CO[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571182813 952869783 /nfs/dbraw/zinc/86/97/83/952869783.db2.gz GJJIVPCPZYFBAI-IAGOWNOFSA-N 0 1 381.440 1.132 20 0 GDADMN CCc1cc(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]n1 ZINC001571183958 952885916 /nfs/dbraw/zinc/88/59/16/952885916.db2.gz NJJOJBMTLATLCM-ZDUSSCGKSA-N 0 1 381.444 1.254 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@H]2C)n1 ZINC001571188123 952912408 /nfs/dbraw/zinc/91/24/08/952912408.db2.gz GBMRMKUERJMHMO-ABAIWWIYSA-N 0 1 381.444 1.185 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571192207 952948485 /nfs/dbraw/zinc/94/84/85/952948485.db2.gz UQOAIWVKHOHRIB-WCVJEAGWSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(C)(F)F ZINC001571194255 952960205 /nfs/dbraw/zinc/96/02/05/952960205.db2.gz KMDGAZYCMPMLKT-ZWNOBZJWSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001571195699 952977338 /nfs/dbraw/zinc/97/73/38/952977338.db2.gz DQUPWOCYMPHHSI-RYUDHWBXSA-N 0 1 382.403 1.180 20 0 GDADMN Cc1cc(N(C)[C@H]2CCN(C(=O)c3cncc(F)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571195582 952977679 /nfs/dbraw/zinc/97/76/79/952977679.db2.gz CBKVOVPGBGWDKB-AWEZNQCLSA-N 0 1 382.403 1.455 20 0 GDADMN Cc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(F)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196894 952984356 /nfs/dbraw/zinc/98/43/56/952984356.db2.gz PDEBIIQJHZIKPF-CYBMUJFWSA-N 0 1 382.403 1.503 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571199716 953003882 /nfs/dbraw/zinc/00/38/82/953003882.db2.gz AAXVYKQRRHMUCP-BLLLJJGKSA-N 0 1 382.428 1.415 20 0 GDADMN CC[C@H]1CN(C(=O)c2oncc2C)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571200722 953010573 /nfs/dbraw/zinc/01/05/73/953010573.db2.gz KPOAEDWMWPHDIC-JSGCOSHPSA-N 0 1 382.428 1.333 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3cc(C(C)C)on3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202203 953022910 /nfs/dbraw/zinc/02/29/10/953022910.db2.gz ROSPSXOXJDEGGN-LBPRGKRZSA-N 0 1 382.428 1.430 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@@H]2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571206510 953052319 /nfs/dbraw/zinc/05/23/19/953052319.db2.gz QIMXBURERGAPSB-QWHCGFSZSA-N 0 1 382.428 1.299 20 0 GDADMN COc1ccc(CN2CC[C@@H](NC(=O)C3(C4CC4)CC3)C2)cc1-c1nn[nH]n1 ZINC001571210410 953072343 /nfs/dbraw/zinc/07/23/43/953072343.db2.gz RBEZZOKNXLTYGF-OAHLLOKOSA-N 0 1 382.468 1.756 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1)c1cnsn1 ZINC001571210906 953076126 /nfs/dbraw/zinc/07/61/26/953076126.db2.gz ZVDOEYHVSXKSFY-IPYPFGDCSA-N 0 1 382.453 1.254 20 0 GDADMN C[C@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211526 953077537 /nfs/dbraw/zinc/07/75/37/953077537.db2.gz AMGYPOPIIPKAOH-STQMWFEESA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571212061 953083331 /nfs/dbraw/zinc/08/33/31/953083331.db2.gz IDCPUUOEEAXADT-LJISPDSOSA-N 0 1 382.472 1.519 20 0 GDADMN CC1(C)CC(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571212557 953088866 /nfs/dbraw/zinc/08/88/66/953088866.db2.gz NEUHOPBJLHJSHB-GXTWGEPZSA-N 0 1 382.472 1.520 20 0 GDADMN CC1(C)CC[C@@H]1C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571213268 953094440 /nfs/dbraw/zinc/09/44/40/953094440.db2.gz QOUAZZMOSZXTEE-VPZZIHKRSA-N 0 1 382.472 1.711 20 0 GDADMN O=S1(=O)CCc2cc(CNc3nc(-c4nn[nH]n4)c(Cl)s3)ccc21 ZINC001571216714 953103469 /nfs/dbraw/zinc/10/34/69/953103469.db2.gz ABFPSOYPVFTVMY-UHFFFAOYSA-N 0 1 382.858 1.919 20 0 GDADMN O=S(=O)(c1ccsc1-c1nn[nH]n1)N1CCc2cc(F)cc(F)c2C1 ZINC001571218864 953119834 /nfs/dbraw/zinc/11/98/34/953119834.db2.gz FSZQNJXICJPCCB-UHFFFAOYSA-N 0 1 383.405 1.953 20 0 GDADMN Cc1[nH]ccc1C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571229988 953172751 /nfs/dbraw/zinc/17/27/51/953172751.db2.gz QICCEKJRGRGLLI-AWEZNQCLSA-N 0 1 383.431 1.989 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)C2=COCCC2)CCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571231059 953182422 /nfs/dbraw/zinc/18/24/22/953182422.db2.gz RIFGUHVALSAANK-JKSUJKDBSA-N 0 1 383.456 1.738 20 0 GDADMN CCc1nc[nH]c1C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571239408 953239023 /nfs/dbraw/zinc/23/90/23/953239023.db2.gz KSAVQSJRFZQPQH-CYBMUJFWSA-N 0 1 384.419 1.296 20 0 GDADMN C[C@H]1CC[C@H](NC(=O)c2n[nH]cc2F)CN1Cc1ccccc1-c1nn[nH]n1 ZINC001571239614 953241590 /nfs/dbraw/zinc/24/15/90/953241590.db2.gz NZDZDRNGSHXZAJ-AAEUAGOBSA-N 0 1 384.419 1.512 20 0 GDADMN CCc1cnc(CN[C@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571242647 953258979 /nfs/dbraw/zinc/25/89/79/953258979.db2.gz KXOJHHRALJLKEM-STQMWFEESA-N 0 1 384.444 1.576 20 0 GDADMN Cc1nc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)sc1C ZINC001571244736 953267048 /nfs/dbraw/zinc/26/70/48/953267048.db2.gz GYHPMMZQAYOJRP-GFCCVEGCSA-N 0 1 384.469 1.591 20 0 GDADMN Cc1cc(N(C)C[C@@H]2CCN(C(=O)c3ccsn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244823 953267725 /nfs/dbraw/zinc/26/77/25/953267725.db2.gz JQWPWLANKICQPW-LBPRGKRZSA-N 0 1 384.469 1.625 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3ccsn3)[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245103 953269490 /nfs/dbraw/zinc/26/94/90/953269490.db2.gz NRVLXFGQEZTSAY-RYUDHWBXSA-N 0 1 384.469 1.554 20 0 GDADMN C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571245410 953273297 /nfs/dbraw/zinc/27/32/97/953273297.db2.gz HZWZBXUQEYZZOF-NVJLRMAKSA-N 0 1 384.459 1.988 20 0 GDADMN CC1(C)CN(c2ccncc2-c2nn[nH]n2)CC[C@@H]1NC(=O)c1nccs1 ZINC001571245904 953278556 /nfs/dbraw/zinc/27/85/56/953278556.db2.gz OJMDYPJFBRHGCV-ZDUSSCGKSA-N 0 1 384.469 1.753 20 0 GDADMN CC1(C)CCCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571251406 953316856 /nfs/dbraw/zinc/31/68/56/953316856.db2.gz XHKCKISSXVHITO-IHRRRGAJSA-N 0 1 384.488 1.602 20 0 GDADMN CN(C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccnc(-c2nn[nH]n2)n1 ZINC001571252294 953326525 /nfs/dbraw/zinc/32/65/25/953326525.db2.gz JZEZSXVTTNEILP-MGPQQGTHSA-N 0 1 384.488 1.766 20 0 GDADMN 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20 0 GDADMN OC[C@H]1c2ccccc2CCN1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000823713646 606720559 /nfs/dbraw/zinc/72/05/59/606720559.db2.gz GWLZWUPIVPSQEZ-LPHOPBHVSA-N 0 1 381.436 1.198 20 0 GDADMN OCCCOC1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000823722411 606776742 /nfs/dbraw/zinc/77/67/42/606776742.db2.gz PBWUGBWYCUHCBO-UHFFFAOYSA-N 0 1 383.399 1.832 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000820788233 606777998 /nfs/dbraw/zinc/77/79/98/606777998.db2.gz BETSXRRUONEURA-AWEZNQCLSA-N 0 1 398.446 1.775 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCCOc1ccc(F)cc1 ZINC000820788233 606778001 /nfs/dbraw/zinc/77/80/01/606778001.db2.gz BETSXRRUONEURA-AWEZNQCLSA-N 0 1 398.446 1.775 20 0 GDADMN CCCOCc1ccccc1CNC(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000821127215 606824803 /nfs/dbraw/zinc/82/48/03/606824803.db2.gz CZGCPVHGHUQZLZ-UHFFFAOYSA-N 0 1 382.424 1.271 20 0 GDADMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000376193467 606829112 /nfs/dbraw/zinc/82/91/12/606829112.db2.gz DHQPBZAVQYHZJH-UHFFFAOYSA-N 0 1 390.425 1.789 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1-c1nnn[n-]1 ZINC000821979853 606855770 /nfs/dbraw/zinc/85/57/70/606855770.db2.gz ZPHHYBQJTSRPFW-SKDRFNHKSA-N 0 1 377.474 1.148 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000821979853 606855772 /nfs/dbraw/zinc/85/57/72/606855772.db2.gz ZPHHYBQJTSRPFW-SKDRFNHKSA-N 0 1 377.474 1.148 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000821979853 606855774 /nfs/dbraw/zinc/85/57/74/606855774.db2.gz ZPHHYBQJTSRPFW-SKDRFNHKSA-N 0 1 377.474 1.148 20 0 GDADMN C[C@H](CN1CCCN(c2ccccc2-c2nn[nH]n2)CC1)CS(C)(=O)=O ZINC000820262111 606878847 /nfs/dbraw/zinc/87/88/47/606878847.db2.gz SDTJSHRLJOASIA-CQSZACIVSA-N 0 1 378.502 1.060 20 0 GDADMN CN(C)[C@@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccco1 ZINC000821581199 606882689 /nfs/dbraw/zinc/88/26/89/606882689.db2.gz FRQBCIGSMWCXTC-LBPRGKRZSA-N 0 1 398.395 1.319 20 0 GDADMN O=S(=O)(NCCc1ccc(F)cc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823577855 606883749 /nfs/dbraw/zinc/88/37/49/606883749.db2.gz BNRMCLDVTHEZSN-UHFFFAOYSA-N 0 1 383.355 1.805 20 0 GDADMN Cc1nc(CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cs1 ZINC000822439418 606885446 /nfs/dbraw/zinc/88/54/46/606885446.db2.gz AZKTYFRCLFMCIR-UHFFFAOYSA-N 0 1 386.409 1.431 20 0 GDADMN O=S(=O)(NC[C@@H]1Cc2ccccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572659 606887421 /nfs/dbraw/zinc/88/74/21/606887421.db2.gz KBXRAVCXMHERLD-NSHDSACASA-N 0 1 377.376 1.763 20 0 GDADMN CO[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000821677000 606894392 /nfs/dbraw/zinc/89/43/92/606894392.db2.gz LWQQXSLLAKSCPQ-CQSZACIVSA-N 0 1 395.391 1.811 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820659645 606907206 /nfs/dbraw/zinc/90/72/06/606907206.db2.gz ZGEKEGOPGZKQQC-OCCSQVGLSA-N 0 1 381.444 1.385 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820659645 606907208 /nfs/dbraw/zinc/90/72/08/606907208.db2.gz ZGEKEGOPGZKQQC-OCCSQVGLSA-N 0 1 381.444 1.385 20 0 GDADMN CCc1cc(=O)[nH]c(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000821476640 606963944 /nfs/dbraw/zinc/96/39/44/606963944.db2.gz QPFMODRENGKZFN-UHFFFAOYSA-N 0 1 397.443 1.112 20 0 GDADMN Cc1cc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)nn1C ZINC000822199945 607147159 /nfs/dbraw/zinc/14/71/59/607147159.db2.gz OHZRCVVKLADRJS-UHFFFAOYSA-N 0 1 395.427 1.479 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000822199764 607155123 /nfs/dbraw/zinc/15/51/23/607155123.db2.gz HARBOUFHEMWVHT-CYBMUJFWSA-N 0 1 395.471 1.361 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000822006113 607193563 /nfs/dbraw/zinc/19/35/63/607193563.db2.gz XZYOUBSYUFHAQC-GOEBONIOSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000822006113 607193564 /nfs/dbraw/zinc/19/35/64/607193564.db2.gz XZYOUBSYUFHAQC-GOEBONIOSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000822006113 607193565 /nfs/dbraw/zinc/19/35/65/607193565.db2.gz XZYOUBSYUFHAQC-GOEBONIOSA-N 0 1 399.499 1.459 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000823131966 607211134 /nfs/dbraw/zinc/21/11/34/607211134.db2.gz SNZSCQXHCQIPQQ-UHFFFAOYSA-N 0 1 395.427 1.159 20 0 GDADMN CCOCCOc1c(Cl)cccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821384171 607211330 /nfs/dbraw/zinc/21/13/30/607211330.db2.gz RVQZVWNGNCXRID-UHFFFAOYSA-N 0 1 392.807 1.166 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000823127183 607213901 /nfs/dbraw/zinc/21/39/01/607213901.db2.gz WAPQWPNHQWXSQN-LBPRGKRZSA-N 0 1 392.345 1.841 20 0 GDADMN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822941300 607215241 /nfs/dbraw/zinc/21/52/41/607215241.db2.gz UAXBSLBCNMKMJH-GFCCVEGCSA-N 0 1 393.411 1.392 20 0 GDADMN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822379990 607218335 /nfs/dbraw/zinc/21/83/35/607218335.db2.gz YHRDIXBFKBORKU-AWEZNQCLSA-N 0 1 394.464 1.928 20 0 GDADMN Cc1ccc(C)c([C@H]2CN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)[C@H](C)CO2)c1 ZINC000822232115 607219693 /nfs/dbraw/zinc/21/96/93/607219693.db2.gz UJQYOTWTJQDMSK-UKRRQHHQSA-N 0 1 382.428 1.064 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823126959 607222536 /nfs/dbraw/zinc/22/25/36/607222536.db2.gz OUHCVYIJGIXRGE-IBGZPJMESA-N 0 1 378.440 1.355 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(OCC2CC2)c(F)c1 ZINC000820333385 607223638 /nfs/dbraw/zinc/22/36/38/607223638.db2.gz AJZZTIAZFWISHZ-SNVBAGLBSA-N 0 1 386.391 1.264 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823125744 607224487 /nfs/dbraw/zinc/22/44/87/607224487.db2.gz CQTICJYJVUOJQV-UHFFFAOYSA-N 0 1 379.211 1.350 20 0 GDADMN Cc1cc(C)nc(N2CCN(Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)n1 ZINC000822199172 607236830 /nfs/dbraw/zinc/23/68/30/607236830.db2.gz YXEIMVDYHMIYCD-UHFFFAOYSA-N 0 1 389.467 1.848 20 0 GDADMN O=S(=O)(CCN1CCC[C@@H]1CN1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484595 607828437 /nfs/dbraw/zinc/82/84/37/607828437.db2.gz IVKZSVNSMIPRRF-MRXNPFEDSA-N 0 1 390.513 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3nc(C)ccc3c2)c1-c1nnn[n-]1 ZINC000826083398 608020061 /nfs/dbraw/zinc/02/00/61/608020061.db2.gz KREVWHAZBFEQMF-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3nc(C)ccc3c2)c1-c1nn[n-]n1 ZINC000826083398 608020062 /nfs/dbraw/zinc/02/00/62/608020062.db2.gz KREVWHAZBFEQMF-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826073334 608020380 /nfs/dbraw/zinc/02/03/80/608020380.db2.gz OGPYKWKLSQTIGH-LLVKDONJSA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826073334 608020381 /nfs/dbraw/zinc/02/03/81/608020381.db2.gz OGPYKWKLSQTIGH-LLVKDONJSA-N 0 1 386.435 1.698 20 0 GDADMN CCSc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cn1 ZINC000825674373 608020746 /nfs/dbraw/zinc/02/07/46/608020746.db2.gz KQMPNPSVVPJDBU-UHFFFAOYSA-N 0 1 387.473 1.501 20 0 GDADMN CCSc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cn1 ZINC000825674373 608020747 /nfs/dbraw/zinc/02/07/47/608020747.db2.gz KQMPNPSVVPJDBU-UHFFFAOYSA-N 0 1 387.473 1.501 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2OCC(C)C)c1-c1nnn[n-]1 ZINC000826084306 608020823 /nfs/dbraw/zinc/02/08/23/608020823.db2.gz YLQJRVZXNHCVJV-UHFFFAOYSA-N 0 1 399.459 1.424 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2OCC(C)C)c1-c1nn[n-]n1 ZINC000826084306 608020824 /nfs/dbraw/zinc/02/08/24/608020824.db2.gz YLQJRVZXNHCVJV-UHFFFAOYSA-N 0 1 399.459 1.424 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCC2CC2)c1-c1nnn[n-]1 ZINC000826084282 608021484 /nfs/dbraw/zinc/02/14/84/608021484.db2.gz XRWMGGGYCNJSHU-UHFFFAOYSA-N 0 1 396.455 1.783 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCC2CC2)c1-c1nn[n-]n1 ZINC000826084282 608021485 /nfs/dbraw/zinc/02/14/85/608021485.db2.gz XRWMGGGYCNJSHU-UHFFFAOYSA-N 0 1 396.455 1.783 20 0 GDADMN O=C(C1SCCS1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826398974 608046690 /nfs/dbraw/zinc/04/66/90/608046690.db2.gz JMWRTYZWZVVQBA-UHFFFAOYSA-N 0 1 393.498 1.187 20 0 GDADMN Cn1ccnc1[C@H]1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826363873 608079659 /nfs/dbraw/zinc/07/96/59/608079659.db2.gz DVHSFCMVBODHCB-AWEZNQCLSA-N 0 1 377.412 1.640 20 0 GDADMN CCc1nc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000825745398 608097861 /nfs/dbraw/zinc/09/78/61/608097861.db2.gz LJGITQRNEMKUMG-ZETCQYMHSA-N 0 1 382.837 1.240 20 0 GDADMN Cc1nscc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826340205 608213931 /nfs/dbraw/zinc/21/39/31/608213931.db2.gz MSBNFAMZHKAUJU-UHFFFAOYSA-N 0 1 383.481 1.980 20 0 GDADMN 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CC(C)[C@@H](O)C(=O)N1CCC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571263906 945469853 /nfs/dbraw/zinc/46/98/53/945469853.db2.gz ZMGOVSSOAINERN-APWZRJJASA-N 0 1 385.472 1.098 20 0 GDADMN Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@]3(C)CCCOC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571263929 945471271 /nfs/dbraw/zinc/47/12/71/945471271.db2.gz CEBRWZSJJXGIHB-PEELUZDISA-N 0 1 385.472 1.328 20 0 GDADMN Cc1cc(N2CCN(C(=O)C[C@@H](C)[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264084 945475600 /nfs/dbraw/zinc/47/56/00/945475600.db2.gz FTNUYBUICINJTN-DYVFJYSZSA-N 0 1 385.472 1.424 20 0 GDADMN CCOC1CC(C(=O)N[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001571264093 945476486 /nfs/dbraw/zinc/47/64/86/945476486.db2.gz GALWRIHYXDSMTC-SLTAFYQDSA-N 0 1 385.472 1.552 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571264230 945477123 /nfs/dbraw/zinc/47/71/23/945477123.db2.gz JGPCPZAYXVTQNU-VNQPRFMTSA-N 0 1 385.472 1.613 20 0 GDADMN CCO[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571264276 945479760 /nfs/dbraw/zinc/47/97/60/945479760.db2.gz KETIAKVFMXPIQD-RHSMWYFYSA-N 0 1 385.472 1.149 20 0 GDADMN CCOC1CC(C(=O)N2CCC(N(C)c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001571264377 945481491 /nfs/dbraw/zinc/48/14/91/945481491.db2.gz MTYXSVROTUUTRO-UHFFFAOYSA-N 0 1 385.472 1.504 20 0 GDADMN CC[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)O1 ZINC001571264677 945489690 /nfs/dbraw/zinc/48/96/90/945489690.db2.gz UAEHXTLSLGZBFN-AYMQEEERSA-N 0 1 385.472 1.256 20 0 GDADMN CC1CC(NC(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)C1 ZINC000820658115 945512011 /nfs/dbraw/zinc/51/20/11/945512011.db2.gz PMXMWSJGIRJGDM-UHFFFAOYSA-N 0 1 398.427 1.745 20 0 GDADMN Cc1cc(NC[C@H]2CCCN2C(=O)C[C@H]2CCCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571265716 945519517 /nfs/dbraw/zinc/51/95/17/945519517.db2.gz IXNCHMDXGXHFLJ-HUUCEWRRSA-N 0 1 385.472 1.212 20 0 GDADMN Cc1cc(NCC2CCN(C(=O)[C@@H]3C[C@H](C)CO3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266566 945547477 /nfs/dbraw/zinc/54/74/77/945547477.db2.gz UIMZJGORGFEZPJ-SJCJKPOMSA-N 0 1 385.472 1.068 20 0 GDADMN CN(Cc1ccc(-c2nn[nH]n2)c(F)c1)C[C@@H]1CCCN1C(=O)c1cnon1 ZINC001571267550 945573796 /nfs/dbraw/zinc/57/37/96/945573796.db2.gz YKBTVPOFNXVQRQ-LBPRGKRZSA-N 0 1 386.391 1.125 20 0 GDADMN O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nnn[n-]3)s1)C2)c1cnon1 ZINC001571270310 945635275 /nfs/dbraw/zinc/63/52/75/945635275.db2.gz PXSLGAUIJCQTNP-UHFFFAOYSA-N 0 1 386.441 1.142 20 0 GDADMN O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[n-]n3)s1)C2)c1cnon1 ZINC001571270310 945635281 /nfs/dbraw/zinc/63/52/81/945635281.db2.gz PXSLGAUIJCQTNP-UHFFFAOYSA-N 0 1 386.441 1.142 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271351 945642942 /nfs/dbraw/zinc/64/29/42/945642942.db2.gz ASFVSWJIVHWMTC-AAEUAGOBSA-N 0 1 386.485 1.445 20 0 GDADMN CCn1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571271394 945642954 /nfs/dbraw/zinc/64/29/54/945642954.db2.gz BJSASMYDFKBNGK-DGCLKSJQSA-N 0 1 386.485 1.395 20 0 GDADMN CCn1cnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571271394 945642957 /nfs/dbraw/zinc/64/29/57/945642957.db2.gz BJSASMYDFKBNGK-DGCLKSJQSA-N 0 1 386.485 1.395 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001571271548 945644014 /nfs/dbraw/zinc/64/40/14/945644014.db2.gz DDKWEMDAVDLBEA-LBPRGKRZSA-N 0 1 386.485 1.696 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001571271548 945644018 /nfs/dbraw/zinc/64/40/18/945644018.db2.gz DDKWEMDAVDLBEA-LBPRGKRZSA-N 0 1 386.485 1.696 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001571271547 945645128 /nfs/dbraw/zinc/64/51/28/945645128.db2.gz DDKWEMDAVDLBEA-GFCCVEGCSA-N 0 1 386.485 1.696 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001571271547 945645132 /nfs/dbraw/zinc/64/51/32/945645132.db2.gz DDKWEMDAVDLBEA-GFCCVEGCSA-N 0 1 386.485 1.696 20 0 GDADMN CC[NH+](CC)[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821180455 945649739 /nfs/dbraw/zinc/64/97/39/945649739.db2.gz CTGDMYUHQAXJKV-OAHLLOKOSA-N 0 1 383.460 1.805 20 0 GDADMN CC[NH+](CC)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821180455 945649743 /nfs/dbraw/zinc/64/97/43/945649743.db2.gz CTGDMYUHQAXJKV-OAHLLOKOSA-N 0 1 383.460 1.805 20 0 GDADMN Cc1nc(CCN2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cs1 ZINC001571271785 945650919 /nfs/dbraw/zinc/65/09/19/945650919.db2.gz JRMJOYAQHRAWGQ-QGZVFWFLSA-N 0 1 386.485 1.397 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272067 945653524 /nfs/dbraw/zinc/65/35/24/945653524.db2.gz OFRAXJKVXPRPHN-GFCCVEGCSA-N 0 1 386.485 1.222 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272067 945653535 /nfs/dbraw/zinc/65/35/35/945653535.db2.gz OFRAXJKVXPRPHN-GFCCVEGCSA-N 0 1 386.485 1.222 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272067 945653549 /nfs/dbraw/zinc/65/35/49/945653549.db2.gz OFRAXJKVXPRPHN-GFCCVEGCSA-N 0 1 386.485 1.222 20 0 GDADMN Cc1cnn(C)c1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272067 945653563 /nfs/dbraw/zinc/65/35/63/945653563.db2.gz OFRAXJKVXPRPHN-GFCCVEGCSA-N 0 1 386.485 1.222 20 0 GDADMN Cc1nc(CN[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)sc1C ZINC001571272061 945653607 /nfs/dbraw/zinc/65/36/07/945653607.db2.gz OANTYGBMUYIVFJ-YMTOWFKASA-N 0 1 386.485 1.518 20 0 GDADMN CCn1ccnc1C(=O)NC[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571272497 945663645 /nfs/dbraw/zinc/66/36/45/945663645.db2.gz UXTBWEMKVGAJFB-LBPRGKRZSA-N 0 1 386.485 1.539 20 0 GDADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CCC[C@@H]1CNCc1ccncc1Cl ZINC001571274097 945692032 /nfs/dbraw/zinc/69/20/32/945692032.db2.gz AWHXXDIKQLOXNY-GFCCVEGCSA-N 0 1 386.847 1.638 20 0 GDADMN Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571274845 945701551 /nfs/dbraw/zinc/70/15/51/945701551.db2.gz LUCZHZNBFLZDLP-ZDUSSCGKSA-N 0 1 386.847 1.556 20 0 GDADMN CCc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC001571281183 945800035 /nfs/dbraw/zinc/80/00/35/945800035.db2.gz FAAPQMIEFNMOLW-XYPYZODXSA-N 0 1 387.469 1.777 20 0 GDADMN CCc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC001571281183 945800042 /nfs/dbraw/zinc/80/00/42/945800042.db2.gz FAAPQMIEFNMOLW-XYPYZODXSA-N 0 1 387.469 1.777 20 0 GDADMN CCc1noc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281251 945800109 /nfs/dbraw/zinc/80/01/09/945800109.db2.gz GCOMPEXXCZRSRU-PHIMTYICSA-N 0 1 387.469 1.838 20 0 GDADMN CCc1noc(C)c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281251 945800114 /nfs/dbraw/zinc/80/01/14/945800114.db2.gz GCOMPEXXCZRSRU-PHIMTYICSA-N 0 1 387.469 1.838 20 0 GDADMN CCc1ocnc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1C ZINC001571281368 945803559 /nfs/dbraw/zinc/80/35/59/945803559.db2.gz HEXPISZURUKCPD-WDEREUQCSA-N 0 1 387.469 1.871 20 0 GDADMN CCc1ocnc1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001571281368 945803571 /nfs/dbraw/zinc/80/35/71/945803571.db2.gz HEXPISZURUKCPD-WDEREUQCSA-N 0 1 387.469 1.871 20 0 GDADMN CC(=O)N1C[C@@H](c2ccccc2F)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573453813 945866501 /nfs/dbraw/zinc/86/65/01/945866501.db2.gz QSZAOTNCHIVHMO-MAUKXSAKSA-N 0 1 381.415 1.558 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1sccc1F ZINC001571286636 945953629 /nfs/dbraw/zinc/95/36/29/945953629.db2.gz NGBXWKQPZFYXSL-NXEZZACHSA-N 0 1 388.432 1.384 20 0 GDADMN C[C@H]1C[C@H](C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CO1 ZINC001571288143 945982891 /nfs/dbraw/zinc/98/28/91/945982891.db2.gz MOPZOKHULQQEOL-WFASDCNBSA-N 0 1 388.447 1.511 20 0 GDADMN C[C@@H](NC(=O)[C@H]1CCCCO1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289145 945995295 /nfs/dbraw/zinc/99/52/95/945995295.db2.gz VVIFCNHRCATLID-SJKOYZFVSA-N 0 1 388.447 1.511 20 0 GDADMN Cc1n[nH]c(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)c1[O-] ZINC001571289514 946009408 /nfs/dbraw/zinc/00/94/08/946009408.db2.gz GKSOUMQWPRRVBR-MRXNPFEDSA-N 0 1 388.457 1.060 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289768 946017496 /nfs/dbraw/zinc/01/74/96/946017496.db2.gz MBROPPAWPVEBTP-CXKPUVAFSA-N 0 1 388.497 1.338 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571289768 946017504 /nfs/dbraw/zinc/01/75/04/946017504.db2.gz MBROPPAWPVEBTP-CXKPUVAFSA-N 0 1 388.497 1.338 20 0 GDADMN O=C(C1CCC(F)CC1)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571290204 946032572 /nfs/dbraw/zinc/03/25/72/946032572.db2.gz XOJXDXOPAADQJZ-IYXRBSQSSA-N 0 1 388.451 1.257 20 0 GDADMN O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccoc1Cl ZINC001571290652 946049892 /nfs/dbraw/zinc/04/98/92/946049892.db2.gz KVORYUHIAUNKJO-VHSXEESVSA-N 0 1 388.819 1.336 20 0 GDADMN Clc1cnc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)nc1 ZINC000822591580 946134195 /nfs/dbraw/zinc/13/41/95/946134195.db2.gz VWPLYUILIHIQBB-UHFFFAOYSA-N 0 1 399.802 1.885 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCc2ccccc21 ZINC001571298094 946206097 /nfs/dbraw/zinc/20/60/97/946206097.db2.gz JHKGYUJVCBTYMD-IIAWOOMASA-N 0 1 390.451 1.258 20 0 GDADMN O=C(NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571298296 946212454 /nfs/dbraw/zinc/21/24/54/946212454.db2.gz MTXZKGYYYNAQGX-QLPKVWCKSA-N 0 1 390.451 1.353 20 0 GDADMN O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1Cc2ccccc21 ZINC001571298510 946218341 /nfs/dbraw/zinc/21/83/41/946218341.db2.gz PQWGGPKTCDWGON-BJJXKVORSA-N 0 1 390.451 1.115 20 0 GDADMN CN1CCC[C@@H]1C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571298586 946221344 /nfs/dbraw/zinc/22/13/44/946221344.db2.gz BJHNTEKMRVHLHN-CXAGYDPISA-N 0 1 390.879 1.094 20 0 GDADMN Cc1cnccc1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001571299004 946234822 /nfs/dbraw/zinc/23/48/22/946234822.db2.gz NGCXEHDNAHQYAR-VLIAUNLRSA-N 0 1 390.451 1.564 20 0 GDADMN O=C(NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1ccnc(C2CC2)c1 ZINC001571299304 946245613 /nfs/dbraw/zinc/24/56/13/946245613.db2.gz VYTYNFZFCDQFDG-UHFFFAOYSA-N 0 1 390.451 1.933 20 0 GDADMN Cc1nsc(NC2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299376 946247935 /nfs/dbraw/zinc/24/79/35/946247935.db2.gz LUEDSEVKAXNSRQ-HIFPTAJRSA-N 0 1 390.517 1.375 20 0 GDADMN Cc1nsc(NC2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299376 946247948 /nfs/dbraw/zinc/24/79/48/946247948.db2.gz LUEDSEVKAXNSRQ-HIFPTAJRSA-N 0 1 390.517 1.375 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCc2cccnc21 ZINC001571299441 946250745 /nfs/dbraw/zinc/25/07/45/946250745.db2.gz WIMCFSUPGAODIM-BPLDGKMQSA-N 0 1 390.451 1.115 20 0 GDADMN C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571299893 946264524 /nfs/dbraw/zinc/26/45/24/946264524.db2.gz QGDQUNQHXIQOMO-LDYMZIIASA-N 0 1 390.860 1.366 20 0 GDADMN C[C@H](C(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1)C(C)(F)F ZINC001571302348 946299308 /nfs/dbraw/zinc/29/93/08/946299308.db2.gz VMKVYLBLLVGRCI-KZULUSFZSA-N 0 1 391.426 1.982 20 0 GDADMN O=C(c1ccc2c(c1)COC2)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571302720 946313509 /nfs/dbraw/zinc/31/35/09/946313509.db2.gz AAAGFLWFQKQWFL-INIZCTEOSA-N 0 1 391.435 1.431 20 0 GDADMN O=C(NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1COc2ccccc21 ZINC001571302950 946321768 /nfs/dbraw/zinc/32/17/68/946321768.db2.gz FKBUSHNSVBXXEP-MRXNPFEDSA-N 0 1 391.435 1.523 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000823131526 946325970 /nfs/dbraw/zinc/32/59/70/946325970.db2.gz IQYPLGFPOUXYOM-UHFFFAOYSA-N 0 1 395.358 1.101 20 0 GDADMN Cc1cnc(C(=O)N[C@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)cn1 ZINC001571303116 946326816 /nfs/dbraw/zinc/32/68/16/946326816.db2.gz MBXIQDOHDAUALU-INIZCTEOSA-N 0 1 391.439 1.149 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571305822 946376276 /nfs/dbraw/zinc/37/62/76/946376276.db2.gz KXSARGRIARUYNM-VXNVDRBHSA-N 0 1 391.848 1.339 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)cc1-c1nn[nH]n1 ZINC001571307244 946420511 /nfs/dbraw/zinc/42/05/11/946420511.db2.gz AUSGNUVEVPELPO-LLVKDONJSA-N 0 1 392.363 1.121 20 0 GDADMN C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571307235 946421127 /nfs/dbraw/zinc/42/11/27/946421127.db2.gz AFUJHDYEDKIIPL-WDEREUQCSA-N 0 1 392.414 1.020 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCC2(F)F)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571308593 946434967 /nfs/dbraw/zinc/43/49/67/946434967.db2.gz RYZSVWNPTCNDOZ-UTUOFQBUSA-N 0 1 392.414 1.566 20 0 GDADMN O=C(c1cncc(F)c1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000823497915 946437463 /nfs/dbraw/zinc/43/74/63/946437463.db2.gz AMRRZXXITQRIRJ-UHFFFAOYSA-N 0 1 384.375 1.229 20 0 GDADMN O=C([C@H]1CCC(F)(F)C1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571309368 946442813 /nfs/dbraw/zinc/44/28/13/946442813.db2.gz YKDXPOQYKWXCFX-NWDGAFQWSA-N 0 1 392.414 1.307 20 0 GDADMN Cc1cc(C)nc(C(=O)NC[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571314760 946544566 /nfs/dbraw/zinc/54/45/66/946544566.db2.gz CFUCZYIPXJWSDX-OAHLLOKOSA-N 0 1 392.467 1.920 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)C[C@H](C)c3ccncc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314886 946544896 /nfs/dbraw/zinc/54/48/96/946544896.db2.gz CTXPCOVATVQYRP-BBRMVZONSA-N 0 1 392.467 1.594 20 0 GDADMN Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)c3ccc(C)c(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314898 946545701 /nfs/dbraw/zinc/54/57/01/946545701.db2.gz DABSOOCBOSEOSG-HIFRSBDPSA-N 0 1 392.467 1.719 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3cc4n(c3)CCCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315829 946560269 /nfs/dbraw/zinc/56/02/69/946560269.db2.gz PADXWDACTFKVSA-HNNXBMFYSA-N 0 1 392.467 1.456 20 0 GDADMN Cc1ccnn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571316349 946574399 /nfs/dbraw/zinc/57/43/99/946574399.db2.gz AJJUDVROPNGIOE-KURKYZTESA-N 0 1 392.467 1.293 20 0 GDADMN Cc1ccccc1CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571316533 946578656 /nfs/dbraw/zinc/57/86/56/946578656.db2.gz FVKUFTXULVEFAP-GDBMZVCRSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1cccc(CC(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316511 946580210 /nfs/dbraw/zinc/58/02/10/946580210.db2.gz FCFZZVOGVFPZKT-JKSUJKDBSA-N 0 1 392.467 1.469 20 0 GDADMN Cc1nnccc1C(=O)N[C@H]1CC[C@H](C)N(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316752 946586752 /nfs/dbraw/zinc/58/67/52/946586752.db2.gz LMEIMOKXHYHKBR-GUYCJALGSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1nnccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571317157 946601455 /nfs/dbraw/zinc/60/14/55/946601455.db2.gz WRQLKGIQGYPYBO-XJKSGUPXSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1ccccc1C[C@@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571317192 946602495 /nfs/dbraw/zinc/60/24/95/946602495.db2.gz XUVHUJFAMJYTKH-GDBMZVCRSA-N 0 1 392.467 1.279 20 0 GDADMN C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571317476 946611139 /nfs/dbraw/zinc/61/11/39/946611139.db2.gz JGCMIDDRQLKRCW-QWHCGFSZSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571317476 946611146 /nfs/dbraw/zinc/61/11/46/946611146.db2.gz JGCMIDDRQLKRCW-QWHCGFSZSA-N 0 1 392.529 1.663 20 0 GDADMN O=C(c1cc2n(c1)CCCC2)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571317615 946615996 /nfs/dbraw/zinc/61/59/96/946615996.db2.gz OJCFZUPCHXLUHU-MRXNPFEDSA-N 0 1 392.467 1.538 20 0 GDADMN C[C@H](NC(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)c1nnc[nH]1 ZINC000824499934 946746950 /nfs/dbraw/zinc/74/69/50/946746950.db2.gz SWXWBIGBSIIACU-PKSQDBQZSA-N 0 1 398.431 1.130 20 0 GDADMN C[C@H](NC(=O)Nc1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1)c1nnc[nH]1 ZINC000824507339 946753972 /nfs/dbraw/zinc/75/39/72/946753972.db2.gz WPYXMCAVNKXUCR-QMMMGPOBSA-N 0 1 399.806 1.707 20 0 GDADMN C[C@@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824563848 946802451 /nfs/dbraw/zinc/80/24/51/946802451.db2.gz QRAZZEKNXILKIV-QYSRSOONSA-N 0 1 398.492 1.571 20 0 GDADMN C[C@@H]1COc2ccccc2CN1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825006916 947039786 /nfs/dbraw/zinc/03/97/86/947039786.db2.gz SNDISLQVWQKINI-RHSMWYFYSA-N 0 1 381.436 1.890 20 0 GDADMN C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585958 947275039 /nfs/dbraw/zinc/27/50/39/947275039.db2.gz KCMIKTVIUFQSCL-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585958 947275044 /nfs/dbraw/zinc/27/50/44/947275044.db2.gz KCMIKTVIUFQSCL-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C=C/C(C)=C/CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001573317326 947297232 /nfs/dbraw/zinc/29/72/32/947297232.db2.gz NQDJWKHYFNFEEY-VGOFMYFVSA-N 0 1 382.472 1.832 20 0 GDADMN CCc1cnccc1[C@H](C)NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825740356 947310400 /nfs/dbraw/zinc/31/04/00/947310400.db2.gz STKDNHYAHHNRME-ZDUSSCGKSA-N 0 1 386.481 1.949 20 0 GDADMN C[C@H](C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573593944 947384072 /nfs/dbraw/zinc/38/40/72/947384072.db2.gz NRCBSMNELBTZRL-GRTSSRMGSA-N 0 1 384.488 1.696 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573596571 947431189 /nfs/dbraw/zinc/43/11/89/947431189.db2.gz LCULDAPWVVPADU-MLGOLLRUSA-N 0 1 390.463 1.351 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC001573602146 947464728 /nfs/dbraw/zinc/46/47/28/947464728.db2.gz CVDXMJAHMTVFHG-OAHLLOKOSA-N 0 1 379.468 1.956 20 0 GDADMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000826158677 947500286 /nfs/dbraw/zinc/50/02/86/947500286.db2.gz YNLJERKEVBKIFT-MRXNPFEDSA-N 0 1 390.513 1.279 20 0 GDADMN C[C@@H](C(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1)n1cccn1 ZINC001573605346 947529543 /nfs/dbraw/zinc/52/95/43/947529543.db2.gz WMLCDMIAQUEQEJ-QMMMGPOBSA-N 0 1 381.853 1.305 20 0 GDADMN CC(C(=O)N1C[C@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)=C1CCC1 ZINC001573607535 947548593 /nfs/dbraw/zinc/54/85/93/947548593.db2.gz OKNMQMJDHKYWQQ-LRDDRELGSA-N 0 1 381.484 1.999 20 0 GDADMN C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573613825 947570996 /nfs/dbraw/zinc/57/09/96/947570996.db2.gz AGEXZPXNLPJHDO-SNVBAGLBSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)c1cccnc1 ZINC001573613793 947571977 /nfs/dbraw/zinc/57/19/77/947571977.db2.gz IZNYJFXGOHPIJH-DYVFJYSZSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573614334 947584060 /nfs/dbraw/zinc/58/40/60/947584060.db2.gz LYYBWZLTRPCEQA-MELADBBJSA-N 0 1 384.488 1.909 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573614386 947584100 /nfs/dbraw/zinc/58/41/00/947584100.db2.gz DVNYBJYDJPLLCF-GHMZBOCLSA-N 0 1 383.378 1.745 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573614827 947593298 /nfs/dbraw/zinc/59/32/98/947593298.db2.gz HRFWZWBCYUKBQC-UONOGXRCSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573614827 947593304 /nfs/dbraw/zinc/59/33/04/947593304.db2.gz HRFWZWBCYUKBQC-UONOGXRCSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573615477 947604401 /nfs/dbraw/zinc/60/44/01/947604401.db2.gz RQDLTNQGTZTRNI-BBBLOLIVSA-N 0 1 382.350 1.035 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573616060 947614972 /nfs/dbraw/zinc/61/49/72/947614972.db2.gz LKHLTXHHLMIDOO-CHWSQXEVSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573616060 947614976 /nfs/dbraw/zinc/61/49/76/947614976.db2.gz LKHLTXHHLMIDOO-CHWSQXEVSA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)c1ccco1 ZINC001573616163 947619822 /nfs/dbraw/zinc/61/98/22/947619822.db2.gz VOTHRYADVAUIGS-YPMHNXCESA-N 0 1 382.428 1.124 20 0 GDADMN C=Cc1ccc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573354341 947629726 /nfs/dbraw/zinc/62/97/26/947629726.db2.gz AUMLSRWDYSMELP-UHFFFAOYSA-N 0 1 376.424 1.342 20 0 GDADMN C=Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001573358312 947661996 /nfs/dbraw/zinc/66/19/96/947661996.db2.gz DRYACPACPIDSOL-KOMQPUFPSA-N 0 1 375.436 1.947 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)Cc2ncc(Cl)n2C)cc1-c1nn[nH]n1 ZINC000826229616 947671434 /nfs/dbraw/zinc/67/14/34/947671434.db2.gz KUWBFGZFNXYXQI-UHFFFAOYSA-N 0 1 394.848 1.348 20 0 GDADMN C[C@@H](C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1)C(C)(C)C ZINC001573623471 947688441 /nfs/dbraw/zinc/68/84/41/947688441.db2.gz GEJVUTQHAPDADE-ZDUSSCGKSA-N 0 1 387.488 1.131 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573628208 947747951 /nfs/dbraw/zinc/74/79/51/947747951.db2.gz GJRJGNYZZFRRLF-QWRGUYRKSA-N 0 1 380.403 1.020 20 0 GDADMN Cc1cc(C2CCN(S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)CC2)n[nH]1 ZINC000826265990 947769096 /nfs/dbraw/zinc/76/90/96/947769096.db2.gz XOQWITYOBGKWBA-UHFFFAOYSA-N 0 1 387.469 1.775 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573372827 947784071 /nfs/dbraw/zinc/78/40/71/947784071.db2.gz DMPDKWULXOJONC-CQSZACIVSA-N 0 1 390.513 1.968 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573372827 947784077 /nfs/dbraw/zinc/78/40/77/947784077.db2.gz DMPDKWULXOJONC-CQSZACIVSA-N 0 1 390.513 1.968 20 0 GDADMN CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573373565 947794350 /nfs/dbraw/zinc/79/43/50/947794350.db2.gz DPFIPYLZARTWSN-FZKQIMNGSA-N 0 1 384.444 1.034 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573378293 947854972 /nfs/dbraw/zinc/85/49/72/947854972.db2.gz YHVQGVZDAHOAFW-UONOGXRCSA-N 0 1 386.460 1.137 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573644151 947869612 /nfs/dbraw/zinc/86/96/12/947869612.db2.gz ZCEDEECTJNSTNZ-MLGOLLRUSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573645866 947871048 /nfs/dbraw/zinc/87/10/48/947871048.db2.gz BYSWJVQAHCCYNU-ZBFHGGJFSA-N 0 1 384.488 1.539 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573645837 947871893 /nfs/dbraw/zinc/87/18/93/947871893.db2.gz BTLJNXQBHUTSHX-NEPJUHHUSA-N 0 1 382.403 1.034 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C1CCCC1 ZINC001573647186 947886975 /nfs/dbraw/zinc/88/69/75/947886975.db2.gz DONISXFXSSJVJB-BMFZPTHFSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573647679 947901938 /nfs/dbraw/zinc/90/19/38/947901938.db2.gz RUOAOTVSZHMJNQ-AEGPPILISA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H](C(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573652300 947935163 /nfs/dbraw/zinc/93/51/63/947935163.db2.gz WVHFXUXHTOEZRU-SRENCEJNSA-N 0 1 380.821 1.356 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346726 948043702 /nfs/dbraw/zinc/04/37/02/948043702.db2.gz UMTVMCVCFCRBOV-WFASDCNBSA-N 0 1 381.440 1.485 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346726 948043713 /nfs/dbraw/zinc/04/37/13/948043713.db2.gz UMTVMCVCFCRBOV-WFASDCNBSA-N 0 1 381.440 1.485 20 0 GDADMN C[C@@H](C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C(C)(C)C ZINC001573665249 948070411 /nfs/dbraw/zinc/07/04/11/948070411.db2.gz JNCWFPKAIBGCBE-PWZWTWNFSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573666252 948084582 /nfs/dbraw/zinc/08/45/82/948084582.db2.gz RNXMUFHROKEILI-CABCVRRESA-N 0 1 380.456 1.800 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680539 948182511 /nfs/dbraw/zinc/18/25/11/948182511.db2.gz QOUCOXNZRVKAOL-VHSXEESVSA-N 0 1 380.403 1.279 20 0 GDADMN C[C@@H](C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C(C)(C)C ZINC001573691106 948236932 /nfs/dbraw/zinc/23/69/32/948236932.db2.gz HNHQEENVLMNFCA-KPZWWZAWSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@@H](C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573706150 948413543 /nfs/dbraw/zinc/41/35/43/948413543.db2.gz YZQOFIRGHLEFJP-DNOWBOINSA-N 0 1 378.440 1.189 20 0 GDADMN O[C@@H](COc1ccc(Oc2ccccc2)cc1)Cn1cnc(-c2nn[nH]n2)n1 ZINC000826505378 948423723 /nfs/dbraw/zinc/42/37/23/948423723.db2.gz UJZNIYJZZOAVHG-CYBMUJFWSA-N 0 1 379.380 1.690 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573725526 948541653 /nfs/dbraw/zinc/54/16/53/948541653.db2.gz ADHROTUDKBCXLT-RQJABVFESA-N 0 1 386.504 1.704 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)C1CCCC1 ZINC001573741583 948655533 /nfs/dbraw/zinc/65/55/33/948655533.db2.gz ZKVXFSRWOBVAGV-XWIAVFTESA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(F)c1 ZINC001573752981 948716650 /nfs/dbraw/zinc/71/66/50/948716650.db2.gz PXEBCDKNSQFVCS-BPNCWPANSA-N 0 1 382.403 1.081 20 0 GDADMN CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nc1 ZINC001574416020 948743982 /nfs/dbraw/zinc/74/39/82/948743982.db2.gz NWFMOQPQZJXYPL-IUODEOHRSA-N 0 1 393.455 1.170 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574416329 948746989 /nfs/dbraw/zinc/74/69/89/948746989.db2.gz QWNJXRKKKOUYSS-LBPRGKRZSA-N 0 1 381.444 1.430 20 0 GDADMN CC(F)(F)C1(C(=O)NC[C@@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)CC1 ZINC001575221776 948751264 /nfs/dbraw/zinc/75/12/64/948751264.db2.gz CJMDDDHIPSPVCQ-CYBMUJFWSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@H](CNC(=O)CCc1ccc(F)cc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574915354 948764304 /nfs/dbraw/zinc/76/43/04/948764304.db2.gz RVSVPIKNSDNDLJ-ZDUSSCGKSA-N 0 1 383.431 1.620 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574418220 948776767 /nfs/dbraw/zinc/77/67/67/948776767.db2.gz VRKXBDHRHGATIO-RYUDHWBXSA-N 0 1 381.444 1.216 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnccn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916702 948787758 /nfs/dbraw/zinc/78/77/58/948787758.db2.gz HVIBZDQOLDQTDS-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](CNC(=O)CCc1cnccn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916702 948787773 /nfs/dbraw/zinc/78/77/73/948787773.db2.gz HVIBZDQOLDQTDS-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN CC(F)(F)C1(C(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575224796 948796223 /nfs/dbraw/zinc/79/62/23/948796223.db2.gz YZEZJTRRVSHFNU-UHFFFAOYSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccncc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574917096 948804634 /nfs/dbraw/zinc/80/46/34/948804634.db2.gz QRNJVTTUILQNGB-VIFPVBQESA-N 0 1 392.876 1.921 20 0 GDADMN C[C@H](CNC(=O)CCc1cnccn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917073 948804879 /nfs/dbraw/zinc/80/48/79/948804879.db2.gz QAJUFXCHCPVSRM-GFCCVEGCSA-N 0 1 384.419 1.023 20 0 GDADMN CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574421752 948822903 /nfs/dbraw/zinc/82/29/03/948822903.db2.gz OAKFFYZHOQMRLZ-GFCCVEGCSA-N 0 1 382.428 1.724 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575226987 948824861 /nfs/dbraw/zinc/82/48/61/948824861.db2.gz QKSAHYWFHWVVKK-XYPYZODXSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@H](CNC(=O)CCCOc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574917775 948829032 /nfs/dbraw/zinc/82/90/32/948829032.db2.gz BDNPCARKCJRHOZ-CQSZACIVSA-N 0 1 381.440 1.459 20 0 GDADMN CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001574422381 948835655 /nfs/dbraw/zinc/83/56/55/948835655.db2.gz ZYPJXLZBNVRAHP-DGCLKSJQSA-N 0 1 382.428 1.628 20 0 GDADMN CC(C)c1nc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cs1 ZINC001574424046 948840833 /nfs/dbraw/zinc/84/08/33/948840833.db2.gz CDTQJVAZIPSLEQ-SNVBAGLBSA-N 0 1 385.457 1.245 20 0 GDADMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001574424058 948842364 /nfs/dbraw/zinc/84/23/64/948842364.db2.gz COOPXBFESFYUKQ-NWDGAFQWSA-N 0 1 380.412 1.554 20 0 GDADMN CC(C)c1cnc(CNCC2CC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001574424492 948855953 /nfs/dbraw/zinc/85/59/53/948855953.db2.gz NJUCPGIGUOVXEF-UHFFFAOYSA-N 0 1 384.444 1.604 20 0 GDADMN CC(C)(C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573763809 948876699 /nfs/dbraw/zinc/87/66/99/948876699.db2.gz IHFOFFGZCZCCJS-UHFFFAOYSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573763778 948878641 /nfs/dbraw/zinc/87/86/41/948878641.db2.gz HGMIDCBAKSSSAH-UHFFFAOYSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1n[nH]cc1F ZINC001574684857 948893683 /nfs/dbraw/zinc/89/36/83/948893683.db2.gz NVWJDUMYPIVICL-YFKPBYRVSA-N 0 1 385.816 1.459 20 0 GDADMN CC(F)(F)CCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001575234251 948893644 /nfs/dbraw/zinc/89/36/44/948893644.db2.gz ADYIALREFPHLOV-UHFFFAOYSA-N 0 1 379.415 1.960 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnccn1 ZINC001574685238 948902662 /nfs/dbraw/zinc/90/26/62/948902662.db2.gz UCCAOGQIIISLPW-SSDOTTSWSA-N 0 1 379.837 1.387 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C[C@H]1CCCO1 ZINC001574685659 948913635 /nfs/dbraw/zinc/91/36/35/948913635.db2.gz YOMOGAWZUDFUNB-DTWKUNHWSA-N 0 1 385.881 1.852 20 0 GDADMN CC(C)c1ncc(C(=O)N[C@H](C)[C@H](C)Nc2ccncc2-c2nn[nH]n2)s1 ZINC001574427828 948914779 /nfs/dbraw/zinc/91/47/79/948914779.db2.gz RDEGUGFMWFYIFB-WDEREUQCSA-N 0 1 386.485 1.882 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1CCCCO1 ZINC001574685667 948915546 /nfs/dbraw/zinc/91/55/46/948915546.db2.gz YTPNCXUZFIRCBI-DTWKUNHWSA-N 0 1 385.881 1.852 20 0 GDADMN CC(C)c1ncc(Br)c(C(=O)Nc2c[nH]nc2-c2nn[nH]n2)n1 ZINC001574428039 948921186 /nfs/dbraw/zinc/92/11/86/948921186.db2.gz YAFBGFUYBFWBJT-UHFFFAOYSA-N 0 1 378.194 1.518 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574432902 948941923 /nfs/dbraw/zinc/94/19/23/948941923.db2.gz OSLSCUQURXQMNM-VXGBXAGGSA-N 0 1 381.444 1.216 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574433322 948954451 /nfs/dbraw/zinc/95/44/51/948954451.db2.gz UOCVXNNFOSIEQJ-INIZCTEOSA-N 0 1 392.467 1.784 20 0 GDADMN CC(C)(C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573775070 949031768 /nfs/dbraw/zinc/03/17/68/949031768.db2.gz YQZOTFDUNBZMLO-UHFFFAOYSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574440670 949032062 /nfs/dbraw/zinc/03/20/62/949032062.db2.gz BVSLJDIIHCBDOA-OAHLLOKOSA-N 0 1 381.440 1.982 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001574441888 949082778 /nfs/dbraw/zinc/08/27/78/949082778.db2.gz DSHZKYSKCUUJBY-GFCCVEGCSA-N 0 1 385.432 1.057 20 0 GDADMN CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2ccncc2-c2nn[nH]n2)CCO1 ZINC001574092894 949082894 /nfs/dbraw/zinc/08/28/94/949082894.db2.gz QBDPPALXFVRQDS-YOEHRIQHSA-N 0 1 387.488 1.395 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1)[NH+](C)C ZINC001574694602 949085050 /nfs/dbraw/zinc/08/50/50/949085050.db2.gz SLXGHFYBADWSFN-MLGOLLRUSA-N 0 1 377.468 1.851 20 0 GDADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574093048 949094255 /nfs/dbraw/zinc/09/42/55/949094255.db2.gz VXKYSAGPQSRPSY-AUUYWEPGSA-N 0 1 384.488 1.766 20 0 GDADMN C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575250936 949120523 /nfs/dbraw/zinc/12/05/23/949120523.db2.gz JFLWKUYTLXMTDX-OLZOCXBDSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575250936 949120538 /nfs/dbraw/zinc/12/05/38/949120538.db2.gz JFLWKUYTLXMTDX-OLZOCXBDSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574932362 949142126 /nfs/dbraw/zinc/14/21/26/949142126.db2.gz YLGQQMUOJRUOOS-GFCCVEGCSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@H](CNC(=O)COCC1CCCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574932362 949142139 /nfs/dbraw/zinc/14/21/39/949142139.db2.gz YLGQQMUOJRUOOS-GFCCVEGCSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@@H](NC(=O)C1(c2ccccc2)CCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251665 949143765 /nfs/dbraw/zinc/14/37/65/949143765.db2.gz BVZNWDNJLZGTTP-UONOGXRCSA-N 0 1 392.467 1.506 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574934088 949146255 /nfs/dbraw/zinc/14/62/55/949146255.db2.gz BRQPMWRZENJBGT-LLVKDONJSA-N 0 1 387.831 1.333 20 0 GDADMN C[C@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574934135 949150980 /nfs/dbraw/zinc/15/09/80/949150980.db2.gz CBZRVZANDJWZNG-SNVBAGLBSA-N 0 1 378.483 1.663 20 0 GDADMN C[C@H](CNC(=O)COc1ccsc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574934135 949150987 /nfs/dbraw/zinc/15/09/87/949150987.db2.gz CBZRVZANDJWZNG-SNVBAGLBSA-N 0 1 378.483 1.663 20 0 GDADMN C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574934290 949155040 /nfs/dbraw/zinc/15/50/40/949155040.db2.gz DKQFEMPVBFWIKI-LLVKDONJSA-N 0 1 387.831 1.333 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575252603 949166421 /nfs/dbraw/zinc/16/64/21/949166421.db2.gz QJGMKQZTZJVRKX-ZJUUUORDSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CC1 ZINC001573787223 949172676 /nfs/dbraw/zinc/17/26/76/949172676.db2.gz PXPARFLOYCIAKX-QLPKVWCKSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602795762 971558562 /nfs/dbraw/zinc/55/85/62/971558562.db2.gz NTROBWLCEVQEDR-KEYDSSBGSA-N 0 1 379.413 1.795 20 0 GDADMN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCC1 ZINC001573787379 949179728 /nfs/dbraw/zinc/17/97/28/949179728.db2.gz WESSDHDFJGHEHG-XYPHTWIQSA-N 0 1 396.499 1.362 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C1CCC1)C1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698290 949181847 /nfs/dbraw/zinc/18/18/47/949181847.db2.gz IUFZXWJKLQPHFT-LBPRGKRZSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](F)CC1CCCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698295 949184790 /nfs/dbraw/zinc/18/47/90/949184790.db2.gz IWMIEIXOGNVPQF-GXTWGEPZSA-N 0 1 390.467 1.646 20 0 GDADMN C[C@H](NC(=O)C(C1CCC1)C1CCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575253524 949189399 /nfs/dbraw/zinc/18/93/99/949189399.db2.gz UOXKBIPIWYCGIK-RYUDHWBXSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@H](c1cnccn1)N1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575516933 949214669 /nfs/dbraw/zinc/21/46/69/949214669.db2.gz RSQSZRUIDZWBCZ-GFCCVEGCSA-N 0 1 381.444 1.330 20 0 GDADMN CC(C)c1scnc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574451353 949231372 /nfs/dbraw/zinc/23/13/72/949231372.db2.gz NUYQIBWHLCGMMH-UHFFFAOYSA-N 0 1 387.473 1.445 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001589604856 949235781 /nfs/dbraw/zinc/23/57/81/949235781.db2.gz IZGSNVWRHTWSHU-YWZLYKJASA-N 0 1 376.453 1.888 20 0 GDADMN CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574103281 949236660 /nfs/dbraw/zinc/23/66/60/949236660.db2.gz PJBDGZSEGKWJSD-YJNKXOJESA-N 0 1 382.472 1.376 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574701517 949262024 /nfs/dbraw/zinc/26/20/24/949262024.db2.gz BIVWSVXIRLTLMF-APPDUMDISA-N 0 1 380.399 1.071 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573792787 949269394 /nfs/dbraw/zinc/26/93/94/949269394.db2.gz VKKAYOZJJDXZOF-KGLIPLIRSA-N 0 1 384.488 1.768 20 0 GDADMN CC(C)CC(=O)N1CCC[C@@H]([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574108966 949307624 /nfs/dbraw/zinc/30/76/24/949307624.db2.gz SSASKZQMKARHHJ-CABCVRRESA-N 0 1 384.488 1.768 20 0 GDADMN CC1=CC[C@@](C)(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575864271 949358399 /nfs/dbraw/zinc/35/83/99/949358399.db2.gz HBNRDGBPBOKRKI-IFXJQAMLSA-N 0 1 382.472 1.878 20 0 GDADMN C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575262528 949376778 /nfs/dbraw/zinc/37/67/78/949376778.db2.gz BFZSJJSMVXWBPX-ZUOKHONESA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)c1cnn[nH]1 ZINC001576155968 949426345 /nfs/dbraw/zinc/42/63/45/949426345.db2.gz KUGYABTZFGAIKB-APPDUMDISA-N 0 1 382.432 1.171 20 0 GDADMN C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1=NN(C)CC1=O ZINC001575264741 949433064 /nfs/dbraw/zinc/43/30/64/949433064.db2.gz PWEINVJVXDKINZ-RISCZKNCSA-N 0 1 382.428 1.152 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574705625 949433229 /nfs/dbraw/zinc/43/32/29/949433229.db2.gz JILCECJOXKHMRR-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705635 949434173 /nfs/dbraw/zinc/43/41/73/949434173.db2.gz JLEZUSPVHHUHHO-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705635 949434180 /nfs/dbraw/zinc/43/41/80/949434180.db2.gz JLEZUSPVHHUHHO-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNC(=O)Cc1[nH]nc2ccccc21)N(C)c1ncccc1-c1nn[nH]n1 ZINC001574947075 949443187 /nfs/dbraw/zinc/44/31/87/949443187.db2.gz YXXYGLFTOYTVFC-GFCCVEGCSA-N 0 1 391.439 1.322 20 0 GDADMN CC(C)CC(=O)NC[C@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574117461 949469698 /nfs/dbraw/zinc/46/96/98/949469698.db2.gz VCJPKXNGGOJVGP-GOSISDBHSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576158838 949506238 /nfs/dbraw/zinc/50/62/38/949506238.db2.gz VAJSFDIWFRFIDY-ZIAGYGMSSA-N 0 1 384.488 1.910 20 0 GDADMN CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001575538104 949514240 /nfs/dbraw/zinc/51/42/40/949514240.db2.gz CMABGGSZHRLZKZ-QGZVFWFLSA-N 0 1 376.486 1.171 20 0 GDADMN CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001575538104 949514254 /nfs/dbraw/zinc/51/42/54/949514254.db2.gz CMABGGSZHRLZKZ-QGZVFWFLSA-N 0 1 376.486 1.171 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)CC(C)(C)O ZINC001576160044 949526234 /nfs/dbraw/zinc/52/62/34/949526234.db2.gz YZQZVIVTCYXWDY-DJJJIMSYSA-N 0 1 387.488 1.322 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)c1nc[nH]n1 ZINC001576160036 949526966 /nfs/dbraw/zinc/52/69/66/949526966.db2.gz YWHDLARZPUIDNB-DIFFPNOSSA-N 0 1 382.432 1.171 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)c1ncn[nH]1 ZINC001576160036 949526987 /nfs/dbraw/zinc/52/69/87/949526987.db2.gz YWHDLARZPUIDNB-DIFFPNOSSA-N 0 1 382.432 1.171 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCC(=O)NCCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576163576 949537437 /nfs/dbraw/zinc/53/74/37/949537437.db2.gz CCCHSLHSABVOSU-KBPBESRZSA-N 0 1 388.476 1.195 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164203 949549157 /nfs/dbraw/zinc/54/91/57/949549157.db2.gz FBEAZFRGTNDNQT-NXEZZACHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873165 949570218 /nfs/dbraw/zinc/57/02/18/949570218.db2.gz NYHHFZXWMUXKHZ-WDEREUQCSA-N 0 1 380.403 1.566 20 0 GDADMN C[C@@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001574475626 949571386 /nfs/dbraw/zinc/57/13/86/949571386.db2.gz BPPBBJKMCUYASM-GXTWGEPZSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@@H](CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001574475626 949571404 /nfs/dbraw/zinc/57/14/04/949571404.db2.gz BPPBBJKMCUYASM-GXTWGEPZSA-N 0 1 392.529 1.616 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CC1(c2ccccc2)CC1 ZINC001575270230 949582148 /nfs/dbraw/zinc/58/21/48/949582148.db2.gz YWFPFDDYSUMKBI-KGLIPLIRSA-N 0 1 392.467 1.506 20 0 GDADMN C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001575270752 949599956 /nfs/dbraw/zinc/59/99/56/949599956.db2.gz GAKVBHGCZGEVJS-DTWKUNHWSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001575270752 949599967 /nfs/dbraw/zinc/59/99/67/949599967.db2.gz GAKVBHGCZGEVJS-DTWKUNHWSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574476546 949606343 /nfs/dbraw/zinc/60/63/43/949606343.db2.gz HUZJQDKIBGXGDB-CQSZACIVSA-N 0 1 380.456 1.745 20 0 GDADMN C[C@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574476515 949607983 /nfs/dbraw/zinc/60/79/83/949607983.db2.gz DLUKNTBEJWMRLS-CQSZACIVSA-N 0 1 389.504 1.379 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576167989 949620833 /nfs/dbraw/zinc/62/08/33/949620833.db2.gz AZPDSHZLVILFFX-ZBFHGGJFSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1 ZINC001574477615 949667319 /nfs/dbraw/zinc/66/73/19/949667319.db2.gz SOVYYERWXMHHQY-CRAIPNDOSA-N 0 1 386.500 1.962 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001573816154 949672162 /nfs/dbraw/zinc/67/21/62/949672162.db2.gz PEEZQESALNTYTJ-NXEZZACHSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)CC(C)(C)C(=O)NCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574132300 949689643 /nfs/dbraw/zinc/68/96/43/949689643.db2.gz VFEOONAULUAYGG-UHFFFAOYSA-N 0 1 384.488 1.982 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+](C)C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574716774 949707593 /nfs/dbraw/zinc/70/75/93/949707593.db2.gz LVNAZOHPSJMGDG-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+](C)C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574716774 949707600 /nfs/dbraw/zinc/70/76/00/949707600.db2.gz LVNAZOHPSJMGDG-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575276163 949711659 /nfs/dbraw/zinc/71/16/59/949711659.db2.gz HGIZUSJLLRDELQ-NEPJUHHUSA-N 0 1 384.419 1.156 20 0 GDADMN O=C([O-])c1ccnc(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)c1 ZINC001595263516 949715891 /nfs/dbraw/zinc/71/58/91/949715891.db2.gz PHUJVSXCEFDJMY-HNNXBMFYSA-N 0 1 385.424 1.749 20 0 GDADMN CC1(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)CCCCCC1 ZINC001575557289 949717309 /nfs/dbraw/zinc/71/73/09/949717309.db2.gz GJBGEGRCNIXXMP-CQSZACIVSA-N 0 1 384.488 1.746 20 0 GDADMN C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576170595 949728032 /nfs/dbraw/zinc/72/80/32/949728032.db2.gz MCWMUKMAXMEJSJ-KBXIAJHMSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccncc1F ZINC001573818988 949743967 /nfs/dbraw/zinc/74/39/67/949743967.db2.gz QGLITXXKVYPLRV-OAHLLOKOSA-N 0 1 384.419 1.474 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574137882 949773805 /nfs/dbraw/zinc/77/38/05/949773805.db2.gz YOYRBQQRZDRFGT-GJZGRUSLSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574718328 949775470 /nfs/dbraw/zinc/77/54/70/949775470.db2.gz ZWQYPJHMDNMSCQ-BLVKFPJESA-N 0 1 390.463 1.493 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574718330 949777610 /nfs/dbraw/zinc/77/76/10/949777610.db2.gz ZWQYPJHMDNMSCQ-CWTRNNRKSA-N 0 1 390.463 1.493 20 0 GDADMN CC(C)C[C@H](C)CC(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574138069 949783869 /nfs/dbraw/zinc/78/38/69/949783869.db2.gz ZUIJLXVPLZCIGZ-NFOMZHRRSA-N 0 1 386.504 1.990 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574720715 949802038 /nfs/dbraw/zinc/80/20/38/949802038.db2.gz GENABHWQCZYXKI-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574720715 949802056 /nfs/dbraw/zinc/80/20/56/949802056.db2.gz GENABHWQCZYXKI-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)NCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574139042 949804365 /nfs/dbraw/zinc/80/43/65/949804365.db2.gz HZSRTKWWZKYKIQ-CQSZACIVSA-N 0 1 384.488 1.982 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574721499 949820225 /nfs/dbraw/zinc/82/02/25/949820225.db2.gz MOCFNXNIDWBVFL-GFCCVEGCSA-N 0 1 384.419 1.109 20 0 GDADMN C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576172940 949828084 /nfs/dbraw/zinc/82/80/84/949828084.db2.gz ZTJWMETWTBUERA-SWLSCSKDSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574965962 949830046 /nfs/dbraw/zinc/83/00/46/949830046.db2.gz QBPORJVMRJTGBZ-DWQUBVKVSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574965962 949830057 /nfs/dbraw/zinc/83/00/57/949830057.db2.gz QBPORJVMRJTGBZ-DWQUBVKVSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574483759 949845235 /nfs/dbraw/zinc/84/52/35/949845235.db2.gz LEHWBDNZHNVOPN-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001574483759 949845254 /nfs/dbraw/zinc/84/52/54/949845254.db2.gz LEHWBDNZHNVOPN-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](NC(=O)COCC1CC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575283130 949859795 /nfs/dbraw/zinc/85/97/95/949859795.db2.gz NNEDMLVTIITNRL-SFYZADRCSA-N 0 1 385.881 1.708 20 0 GDADMN CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574142993 949881962 /nfs/dbraw/zinc/88/19/62/949881962.db2.gz DPINUKDNQWRBFL-SOUVJXGZSA-N 0 1 387.488 1.584 20 0 GDADMN CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCC1 ZINC001575565958 949887033 /nfs/dbraw/zinc/88/70/33/949887033.db2.gz ZDWLINRCKIDONO-MGPQQGTHSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574485011 949916626 /nfs/dbraw/zinc/91/66/26/949916626.db2.gz UQORCSCSTPJUEF-HNNXBMFYSA-N 0 1 392.467 1.889 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001576181248 949989931 /nfs/dbraw/zinc/98/99/31/949989931.db2.gz LHTGFKAKBHGFMN-RISCZKNCSA-N 0 1 382.432 1.123 20 0 GDADMN C[C@H](NC(=O)Cc1cccc(Cl)c1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575289806 950003311 /nfs/dbraw/zinc/00/33/11/950003311.db2.gz BWPPXYCNXYIZSI-QWRGUYRKSA-N 0 1 386.847 1.280 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1cc(F)cc(F)c1 ZINC001574974939 950010175 /nfs/dbraw/zinc/01/01/75/950010175.db2.gz FECJKAQNVRFOMR-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574491791 950046019 /nfs/dbraw/zinc/04/60/19/950046019.db2.gz GDCMJRAZPKWVBY-NXEZZACHSA-N 0 1 384.366 1.330 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnccn1 ZINC001574150889 950047161 /nfs/dbraw/zinc/04/71/61/950047161.db2.gz GGBURSMPJDISGQ-LBPRGKRZSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnccn1 ZINC001574150889 950047178 /nfs/dbraw/zinc/04/71/78/950047178.db2.gz GGBURSMPJDISGQ-LBPRGKRZSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)C[C@@H](CN[C@@H](C)c1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151265 950063872 /nfs/dbraw/zinc/06/38/72/950063872.db2.gz OIQFAMLHRXHICQ-JSGCOSHPSA-N 0 1 383.460 1.480 20 0 GDADMN CC(C)C[C@H](CN[C@H](C)c1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151267 950067209 /nfs/dbraw/zinc/06/72/09/950067209.db2.gz OIQFAMLHRXHICQ-TZMCWYRMSA-N 0 1 383.460 1.480 20 0 GDADMN CC(C)(C)CC(=O)NC[C@@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573836458 950085262 /nfs/dbraw/zinc/08/52/62/950085262.db2.gz LJMDVPGYHRBBGM-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183940 950109010 /nfs/dbraw/zinc/10/90/10/950109010.db2.gz SHWAVNLRJVGCQE-HOCLYGCPSA-N 0 1 392.467 1.274 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573839126 950120986 /nfs/dbraw/zinc/12/09/86/950120986.db2.gz LLCLUTYVUNHCRM-RHSMWYFYSA-N 0 1 392.467 1.709 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896127 950121859 /nfs/dbraw/zinc/12/18/59/950121859.db2.gz KHIBQVVNXYSGLD-CJNGLKHVSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575582764 950125311 /nfs/dbraw/zinc/12/53/11/950125311.db2.gz GQEBNQSNRSKEAC-LIRRHRJNSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574734864 950145716 /nfs/dbraw/zinc/14/57/16/950145716.db2.gz TTWIFSBDPURLIC-YUSALJHKSA-N 0 1 385.407 1.186 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N[C@H]1CCc2c1c(F)ccc2F ZINC001574979147 950148544 /nfs/dbraw/zinc/14/85/44/950148544.db2.gz WUHZNFCGIPOJAC-OTYXRUKQSA-N 0 1 387.394 1.868 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734938 950150850 /nfs/dbraw/zinc/15/08/50/950150850.db2.gz VNGAWGJYXBCHKM-WCFLWFBJSA-N 0 1 384.469 1.203 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOC1 ZINC001575584971 950184212 /nfs/dbraw/zinc/18/42/12/950184212.db2.gz UPRMDOPIQBOZJW-KUHUBIRLSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001574155574 950200428 /nfs/dbraw/zinc/20/04/28/950200428.db2.gz OFIZGVBVYHLHNU-GHMZBOCLSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CC12CCCC2 ZINC001574156008 950219045 /nfs/dbraw/zinc/21/90/45/950219045.db2.gz UHZNQDLCVNDHHC-KBPBESRZSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192145 950227644 /nfs/dbraw/zinc/22/76/44/950227644.db2.gz LZBYPRZPFRTZFC-NEPJUHHUSA-N 0 1 384.419 1.361 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ncccn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903384 950283788 /nfs/dbraw/zinc/28/37/88/950283788.db2.gz ZSWYOQNPOUUJEX-XJKSGUPXSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574159316 950303274 /nfs/dbraw/zinc/30/32/74/950303274.db2.gz WGCLEDJZIZEDPG-SNVBAGLBSA-N 0 1 389.851 1.317 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574159731 950317011 /nfs/dbraw/zinc/31/70/11/950317011.db2.gz YQAQJPGWISXSFI-ZDUSSCGKSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574501246 950323385 /nfs/dbraw/zinc/32/33/85/950323385.db2.gz CCQAYXGMLPOTAL-LSDHHAIUSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576194206 950332610 /nfs/dbraw/zinc/33/26/10/950332610.db2.gz XPFKZDWGXSMBMF-NWDGAFQWSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@]1(C(=O)NCCN(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CCCOC1 ZINC001575594423 950333467 /nfs/dbraw/zinc/33/34/67/950333467.db2.gz SVBPXTLDVQPMNX-FQEVSTJZSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575907431 950333885 /nfs/dbraw/zinc/33/38/85/950333885.db2.gz OSXWXUQJFIEXQN-ZWNOBZJWSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575907431 950333907 /nfs/dbraw/zinc/33/39/07/950333907.db2.gz OSXWXUQJFIEXQN-ZWNOBZJWSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576194207 950335012 /nfs/dbraw/zinc/33/50/12/950335012.db2.gz XPFKZDWGXSMBMF-RYUDHWBXSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCCO1 ZINC001574501863 950345644 /nfs/dbraw/zinc/34/56/44/950345644.db2.gz HBGAFHLBISMWCO-KDOFPFPSSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574502273 950370296 /nfs/dbraw/zinc/37/02/96/950370296.db2.gz LJEZVCNDWAZEQB-GDBMZVCRSA-N 0 1 392.467 1.936 20 0 GDADMN CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C3(C(=O)[O-])CCOCC3)C2)ccn1 ZINC001589715595 950373386 /nfs/dbraw/zinc/37/33/86/950373386.db2.gz VURLDHPNIYWZEF-QGZVFWFLSA-N 0 1 391.468 1.394 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574503494 950414740 /nfs/dbraw/zinc/41/47/40/950414740.db2.gz XJMHODPORUOHPI-UWVGGRQHSA-N 0 1 384.366 1.188 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574750664 950435266 /nfs/dbraw/zinc/43/52/66/950435266.db2.gz FSEBGPJHFIYALJ-NSHDSACASA-N 0 1 385.497 1.995 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574750664 950435280 /nfs/dbraw/zinc/43/52/80/950435280.db2.gz FSEBGPJHFIYALJ-NSHDSACASA-N 0 1 385.497 1.995 20 0 GDADMN CC(C)(C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001573861564 950449094 /nfs/dbraw/zinc/44/90/94/950449094.db2.gz APAYZPVLIFAJJQ-JTQLQIEISA-N 0 1 383.430 1.345 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC2(CNc3ccc(-c4nn[n-]n4)nc3)CCCC2)C1 ZINC001576204277 950457666 /nfs/dbraw/zinc/45/76/66/950457666.db2.gz NBYGADGJWVFZHC-CQSZACIVSA-N 0 1 384.488 1.444 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC2(CNc3ccc(-c4nn[n-]n4)nc3)CCCC2)C1 ZINC001576204277 950457675 /nfs/dbraw/zinc/45/76/75/950457675.db2.gz NBYGADGJWVFZHC-CQSZACIVSA-N 0 1 384.488 1.444 20 0 GDADMN C[C@H]1CCN(CC(=O)N[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C(C)(C)C)C1 ZINC001576204534 950462166 /nfs/dbraw/zinc/46/21/66/950462166.db2.gz PYJFRFLNKKZSAI-DZGCQCFKSA-N 0 1 386.504 1.546 20 0 GDADMN CC(C)CCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574167613 950488756 /nfs/dbraw/zinc/48/87/56/950488756.db2.gz GGXTXEOIVSREAI-OAHLLOKOSA-N 0 1 392.479 1.693 20 0 GDADMN CC(C)CCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574167613 950488766 /nfs/dbraw/zinc/48/87/66/950488766.db2.gz GGXTXEOIVSREAI-OAHLLOKOSA-N 0 1 392.479 1.693 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001576205225 950503223 /nfs/dbraw/zinc/50/32/23/950503223.db2.gz HKRALEPOOFEHNQ-STQMWFEESA-N 0 1 375.452 1.289 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001576205225 950503235 /nfs/dbraw/zinc/50/32/35/950503235.db2.gz HKRALEPOOFEHNQ-STQMWFEESA-N 0 1 375.452 1.289 20 0 GDADMN CC(C)(C)OCC(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573867165 950525498 /nfs/dbraw/zinc/52/54/98/950525498.db2.gz ROCQCWWTYLOZLC-ZDUSSCGKSA-N 0 1 388.476 1.077 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1ccco1 ZINC001574510767 950547952 /nfs/dbraw/zinc/54/79/52/950547952.db2.gz ACPRKFLACNRSKA-YNEHKIRRSA-N 0 1 382.428 1.384 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576206014 950552163 /nfs/dbraw/zinc/55/21/63/950552163.db2.gz SQFJEKROPKRZJS-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001576206014 950552178 /nfs/dbraw/zinc/55/21/78/950552178.db2.gz SQFJEKROPKRZJS-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206129 950557126 /nfs/dbraw/zinc/55/71/26/950557126.db2.gz UZWGAVZXLZJBRQ-BBRMVZONSA-N 0 1 389.479 1.900 20 0 GDADMN CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206129 950557145 /nfs/dbraw/zinc/55/71/45/950557145.db2.gz UZWGAVZXLZJBRQ-BBRMVZONSA-N 0 1 389.479 1.900 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCCOC1 ZINC001575614962 950559605 /nfs/dbraw/zinc/55/96/05/950559605.db2.gz WYQMXYWATASATH-OJIVJNGMSA-N 0 1 388.497 1.291 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCCOC1 ZINC001575614962 950559612 /nfs/dbraw/zinc/55/96/12/950559612.db2.gz WYQMXYWATASATH-OJIVJNGMSA-N 0 1 388.497 1.291 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001573869293 950562444 /nfs/dbraw/zinc/56/24/44/950562444.db2.gz NUPYPGKTNDIEEE-HUUCEWRRSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574998888 950563755 /nfs/dbraw/zinc/56/37/55/950563755.db2.gz CAZHWZMYHCRFHS-MRVPVSSYSA-N 0 1 377.359 1.177 20 0 GDADMN C[C@@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207129 950588905 /nfs/dbraw/zinc/58/89/05/950588905.db2.gz CWJCVGRTWAFYNO-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207129 950588948 /nfs/dbraw/zinc/58/89/48/950588948.db2.gz CWJCVGRTWAFYNO-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207129 950588961 /nfs/dbraw/zinc/58/89/61/950588961.db2.gz CWJCVGRTWAFYNO-BDAKNGLRSA-N 0 1 384.897 1.235 20 0 GDADMN CC(C)(C)OCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573870889 950603920 /nfs/dbraw/zinc/60/39/20/950603920.db2.gz ZGMOBSMRRNCNEO-YHWZYXNKSA-N 0 1 386.460 1.088 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574758772 950622282 /nfs/dbraw/zinc/62/22/82/950622282.db2.gz GSHLTDBWQULNCO-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccncc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574758772 950622297 /nfs/dbraw/zinc/62/22/97/950622297.db2.gz GSHLTDBWQULNCO-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccn(C)c1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574759625 950644541 /nfs/dbraw/zinc/64/45/41/950644541.db2.gz PRWCYPAMXYXNMQ-MRVPVSSYSA-N 0 1 380.865 1.888 20 0 GDADMN CCN1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC001589744351 950650091 /nfs/dbraw/zinc/65/00/91/950650091.db2.gz JQEFVIRLEMHQRA-MRXNPFEDSA-N 0 1 376.501 1.686 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575922659 950650330 /nfs/dbraw/zinc/65/03/30/950650330.db2.gz ACACJFKECPTMDT-ZWNOBZJWSA-N 0 1 380.412 1.264 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575925813 950693760 /nfs/dbraw/zinc/69/37/60/950693760.db2.gz VBOOAOYTLCZZDD-BLLLJJGKSA-N 0 1 390.451 1.282 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001574519735 950696232 /nfs/dbraw/zinc/69/62/32/950696232.db2.gz YEKVVFXWEFOZAU-XJQUKVTJSA-N 0 1 379.424 1.599 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575628870 950727789 /nfs/dbraw/zinc/72/77/89/950727789.db2.gz INOJPZIEDVALIZ-GXTWGEPZSA-N 0 1 384.488 1.602 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575628874 950728691 /nfs/dbraw/zinc/72/86/91/950728691.db2.gz INOJPZIEDVALIZ-TZMCWYRMSA-N 0 1 384.488 1.602 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001575629937 950754815 /nfs/dbraw/zinc/75/48/15/950754815.db2.gz VLMOSEJDWDYFOE-DLBZAZTESA-N 0 1 384.484 1.354 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(-c5nn[nH]n5)c(F)c4)C[C@H]32)C1 ZINC001575630288 950759053 /nfs/dbraw/zinc/75/90/53/950759053.db2.gz AAUNZVIOHFLHHK-QLPKVWCKSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574764990 950771110 /nfs/dbraw/zinc/77/11/10/950771110.db2.gz BGGMPGURKDLVEK-MRVPVSSYSA-N 0 1 379.471 1.341 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574522892 950801266 /nfs/dbraw/zinc/80/12/66/950801266.db2.gz LRFAVATWUXXDNF-NEPJUHHUSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574522892 950801291 /nfs/dbraw/zinc/80/12/91/950801291.db2.gz LRFAVATWUXXDNF-NEPJUHHUSA-N 0 1 388.501 1.277 20 0 GDADMN CC(C)n1cc(CN[C@@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574527164 950878091 /nfs/dbraw/zinc/87/80/91/950878091.db2.gz AGLXWUGMVWCQOK-RYUDHWBXSA-N 0 1 386.464 1.054 20 0 GDADMN CC(C)n1cc(CN[C@@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574527163 950879330 /nfs/dbraw/zinc/87/93/30/950879330.db2.gz AGLXWUGMVWCQOK-NWDGAFQWSA-N 0 1 386.464 1.054 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccon1 ZINC001575935784 950894780 /nfs/dbraw/zinc/89/47/80/950894780.db2.gz YRWTUKRAXGQALL-RQJHMYQMSA-N 0 1 380.821 1.680 20 0 GDADMN CC(C)c1ocnc1CN[C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527658 950901742 /nfs/dbraw/zinc/90/17/42/950901742.db2.gz FNIOVIRGCUKFHT-RYUDHWBXSA-N 0 1 386.460 1.993 20 0 GDADMN CC(C)CCCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001574190490 950910978 /nfs/dbraw/zinc/91/09/78/950910978.db2.gz YKOMNBAYCYXVFC-MSOLQXFVSA-N 0 1 386.500 1.744 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574527951 950912836 /nfs/dbraw/zinc/91/28/36/950912836.db2.gz IWAIHYAFJZHICF-ZJUUUORDSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574527951 950912844 /nfs/dbraw/zinc/91/28/44/950912844.db2.gz IWAIHYAFJZHICF-ZJUUUORDSA-N 0 1 388.457 1.111 20 0 GDADMN CC(C)CCCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001574190493 950912983 /nfs/dbraw/zinc/91/29/83/950912983.db2.gz YKOMNBAYCYXVFC-ROUUACIJSA-N 0 1 386.500 1.744 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575641263 950916217 /nfs/dbraw/zinc/91/62/17/950916217.db2.gz CAQFCYJCFMIHIE-FZKQIMNGSA-N 0 1 390.513 1.417 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575641263 950916238 /nfs/dbraw/zinc/91/62/38/950916238.db2.gz CAQFCYJCFMIHIE-FZKQIMNGSA-N 0 1 390.513 1.417 20 0 GDADMN CC(C)(CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573895441 950936063 /nfs/dbraw/zinc/93/60/63/950936063.db2.gz AZKYMSFOZBVRKW-LBPRGKRZSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)CCCN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)O2 ZINC001574195021 950967691 /nfs/dbraw/zinc/96/76/91/950967691.db2.gz GESVIAMUZDAKIF-HNNXBMFYSA-N 0 1 387.488 1.594 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573899524 950981062 /nfs/dbraw/zinc/98/10/62/950981062.db2.gz BRUDVZQQOSMSSA-MCIONIFRSA-N 0 1 382.472 1.709 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576229878 950984041 /nfs/dbraw/zinc/98/40/41/950984041.db2.gz ONJGOCSTBWDRJR-UKRRQHHQSA-N 0 1 385.472 1.007 20 0 GDADMN CCOC(=O)c1sc(NC(=O)CN(C)C[C@H]2CCC[N@H+]2C)c(C(=O)[O-])c1C ZINC001591425356 951131902 /nfs/dbraw/zinc/13/19/02/951131902.db2.gz BUJCRICMLJBWNB-GFCCVEGCSA-N 0 1 397.497 1.896 20 0 GDADMN C[C@H](CNC(=O)c1cccc(C(F)(F)F)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575026700 951146389 /nfs/dbraw/zinc/14/63/89/951146389.db2.gz MCUKCFQAJJRVBV-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(N2CCCC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575027940 951162308 /nfs/dbraw/zinc/16/23/08/951162308.db2.gz JGTJSTCVUDSOBE-AWEZNQCLSA-N 0 1 392.467 1.514 20 0 GDADMN C[C@@H](CNC(=O)c1ccncn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575034653 951253112 /nfs/dbraw/zinc/25/31/12/951253112.db2.gz PIEUXRBIQXAWKE-ZETCQYMHSA-N 0 1 379.837 1.245 20 0 GDADMN C[C@@H](CNC(=O)c1ccncn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575034911 951260266 /nfs/dbraw/zinc/26/02/66/951260266.db2.gz QLDKEPOZYLVXPE-ZETCQYMHSA-N 0 1 379.837 1.021 20 0 GDADMN O=C([O-])CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC001595019268 951309699 /nfs/dbraw/zinc/30/96/99/951309699.db2.gz PQNFBPXCFRUOFJ-INIZCTEOSA-N 0 1 379.526 1.969 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1CCC2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043478 951392605 /nfs/dbraw/zinc/39/26/05/951392605.db2.gz KCTOZGKVUKCYLY-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575043598 951398624 /nfs/dbraw/zinc/39/86/24/951398624.db2.gz KPZNHOOLRLCJSD-VIFPVBQESA-N 0 1 387.473 1.063 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(C(F)(F)F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575045365 951425348 /nfs/dbraw/zinc/42/53/48/951425348.db2.gz AVVXKCONPXGREC-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN CC(C)c1ncncc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575046201 951437434 /nfs/dbraw/zinc/43/74/34/951437434.db2.gz LAKIGHYWCWUHQD-NSHDSACASA-N 0 1 386.485 1.750 20 0 GDADMN CC(C)c1ncncc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575046201 951437460 /nfs/dbraw/zinc/43/74/60/951437460.db2.gz LAKIGHYWCWUHQD-NSHDSACASA-N 0 1 386.485 1.750 20 0 GDADMN C[C@H](CNC(=O)c1cnoc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575055200 951500276 /nfs/dbraw/zinc/50/02/76/951500276.db2.gz OAEXPXIEKAZOHU-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575056347 951519444 /nfs/dbraw/zinc/51/94/44/951519444.db2.gz HUYISHAFUWVQTO-NSHDSACASA-N 0 1 384.444 1.802 20 0 GDADMN C[C@@H](CNC(=O)c1csc(=O)[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575057028 951525357 /nfs/dbraw/zinc/52/53/57/951525357.db2.gz NXRBSRQKLABUIO-BYPYZUCNSA-N 0 1 386.850 1.369 20 0 GDADMN C[C@H](CNC(=O)c1csnn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575062499 951569295 /nfs/dbraw/zinc/56/92/95/951569295.db2.gz WWYAKYAGKPDMIE-RXMQYKEDSA-N 0 1 385.866 1.306 20 0 GDADMN C[C@@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067977 951627613 /nfs/dbraw/zinc/62/76/13/951627613.db2.gz UDSJJXQYXJPSGL-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1ncc2n1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067977 951627621 /nfs/dbraw/zinc/62/76/21/951627621.db2.gz UDSJJXQYXJPSGL-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001575071032 951656640 /nfs/dbraw/zinc/65/66/40/951656640.db2.gz XJFSUIODTBZUBM-JTQLQIEISA-N 0 1 386.485 1.668 20 0 GDADMN C[C@@H](CNCc1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575081178 951719639 /nfs/dbraw/zinc/71/96/39/951719639.db2.gz PERYNNCQCKHHQJ-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1=O ZINC001595091970 951785579 /nfs/dbraw/zinc/78/55/79/951785579.db2.gz XFQZUMDKODPQKX-SJORKVTESA-N 0 1 394.516 1.548 20 0 GDADMN C[C@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099365 951831741 /nfs/dbraw/zinc/83/17/41/951831741.db2.gz KPQUCIHXVWFYPO-STQMWFEESA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099365 951831753 /nfs/dbraw/zinc/83/17/53/951831753.db2.gz KPQUCIHXVWFYPO-STQMWFEESA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)CCc1ccccn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101000 951851820 /nfs/dbraw/zinc/85/18/20/951851820.db2.gz XMKNRICUDDJCRK-ZDUSSCGKSA-N 0 1 385.497 1.798 20 0 GDADMN C[C@H](CNC(=O)CCc1ccccn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101000 951851823 /nfs/dbraw/zinc/85/18/23/951851823.db2.gz XMKNRICUDDJCRK-ZDUSSCGKSA-N 0 1 385.497 1.798 20 0 GDADMN O=C([O-])COCC(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001595107310 951885553 /nfs/dbraw/zinc/88/55/53/951885553.db2.gz SHFHASPZRHKXDM-UHFFFAOYSA-N 0 1 383.448 1.526 20 0 GDADMN C[C@@H](CNCc1ncc(C(C)(C)C)o1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575119335 951989019 /nfs/dbraw/zinc/98/90/19/951989019.db2.gz XJKCEJOHHXDLNY-NSHDSACASA-N 0 1 386.460 1.636 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1cccc(C2CC2)c1 ZINC001575142205 952146734 /nfs/dbraw/zinc/14/67/34/952146734.db2.gz KGRKMQFXODOEOR-ZDUSSCGKSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575143961 952159588 /nfs/dbraw/zinc/15/95/88/952159588.db2.gz STIQMRZQASFPKA-PJFSTRORSA-N 0 1 382.472 1.212 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575144487 952168156 /nfs/dbraw/zinc/16/81/56/952168156.db2.gz VYDAEQWJTQCVID-JTQLQIEISA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1csc(Cl)c1 ZINC001575144812 952172020 /nfs/dbraw/zinc/17/20/20/952172020.db2.gz MBITYQZHDWTTNZ-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575145477 952185095 /nfs/dbraw/zinc/18/50/95/952185095.db2.gz YIAOCIDNGXYBMG-BFUOFWGJSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575145992 952190171 /nfs/dbraw/zinc/19/01/71/952190171.db2.gz FIBQVSHLJXCSNR-AEGPPILISA-N 0 1 378.440 1.141 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575148133 952202225 /nfs/dbraw/zinc/20/22/25/952202225.db2.gz XUKYSOSJFYMICM-VHDGCEQUSA-N 0 1 385.472 1.005 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575153369 952208130 /nfs/dbraw/zinc/20/81/30/952208130.db2.gz GSKXPPQZNXRLKM-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575153369 952208133 /nfs/dbraw/zinc/20/81/33/952208133.db2.gz GSKXPPQZNXRLKM-DZGCQCFKSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccncc1 ZINC001575164226 952288834 /nfs/dbraw/zinc/28/88/34/952288834.db2.gz CBCNBSNDHJJMAU-QMMMGPOBSA-N 0 1 378.849 1.944 20 0 GDADMN C[C@](CNc1ncc(-c2nn[nH]n2)cc1Cl)(NC(=O)c1cnn[nH]1)C1CC1 ZINC001575164554 952295719 /nfs/dbraw/zinc/29/57/19/952295719.db2.gz FMYXTWGMHGSKSC-OAHLLOKOSA-N 0 1 388.823 1.044 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)Cn1ccnc1 ZINC001575165397 952307303 /nfs/dbraw/zinc/30/73/03/952307303.db2.gz OMLJIRIEXYQOQC-MRVPVSSYSA-N 0 1 381.853 1.132 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575190502 952462407 /nfs/dbraw/zinc/46/24/07/952462407.db2.gz SZEQPRMXXLAZIV-KGLIPLIRSA-N 0 1 381.440 1.416 20 0 GDADMN O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1cc(F)c[nH]1 ZINC001571116848 952478656 /nfs/dbraw/zinc/47/86/56/952478656.db2.gz DXVPMOVLEYFWNO-SNVBAGLBSA-N 0 1 375.433 1.647 20 0 GDADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1cc(F)c[nH]1 ZINC001571116848 952478659 /nfs/dbraw/zinc/47/86/59/952478659.db2.gz DXVPMOVLEYFWNO-SNVBAGLBSA-N 0 1 375.433 1.647 20 0 GDADMN O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1cc(F)c[nH]1 ZINC001571116848 952478664 /nfs/dbraw/zinc/47/86/64/952478664.db2.gz DXVPMOVLEYFWNO-SNVBAGLBSA-N 0 1 375.433 1.647 20 0 GDADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1cc(F)c[nH]1 ZINC001571116848 952478667 /nfs/dbraw/zinc/47/86/67/952478667.db2.gz DXVPMOVLEYFWNO-SNVBAGLBSA-N 0 1 375.433 1.647 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001575200376 952495230 /nfs/dbraw/zinc/49/52/30/952495230.db2.gz IXVRURJUBHAGCT-UPJWGTAASA-N 0 1 381.444 1.170 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575200431 952495338 /nfs/dbraw/zinc/49/53/38/952495338.db2.gz JKHLOZBLTLATCW-MLGOLLRUSA-N 0 1 383.460 1.416 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)C1CC1 ZINC001575201235 952502521 /nfs/dbraw/zinc/50/25/21/952502521.db2.gz HPHJBBORKOWXAK-ZBEGNZNMSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575201275 952503938 /nfs/dbraw/zinc/50/39/38/952503938.db2.gz HZOZQESKYJZHIN-VXGBXAGGSA-N 0 1 384.419 1.621 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575203328 952520856 /nfs/dbraw/zinc/52/08/56/952520856.db2.gz TZWDRXRBOQBGMM-QWRGUYRKSA-N 0 1 387.423 1.262 20 0 GDADMN CO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571121910 952522756 /nfs/dbraw/zinc/52/27/56/952522756.db2.gz DSPYYBBNFGYRKL-XQQFMLRXSA-N 0 1 376.486 1.528 20 0 GDADMN CO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571121910 952522759 /nfs/dbraw/zinc/52/27/59/952522759.db2.gz DSPYYBBNFGYRKL-XQQFMLRXSA-N 0 1 376.486 1.528 20 0 GDADMN O=C(c1ccnc(C2CC2)c1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571122799 952526065 /nfs/dbraw/zinc/52/60/65/952526065.db2.gz LJRQQWHODWFGSO-CQSZACIVSA-N 0 1 376.424 1.283 20 0 GDADMN O=C(c1csnn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123435 952530530 /nfs/dbraw/zinc/53/05/30/952530530.db2.gz RZHVRUWTWRIJLH-SECBINFHSA-N 0 1 376.471 1.032 20 0 GDADMN O=C(c1csnn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123435 952530534 /nfs/dbraw/zinc/53/05/34/952530534.db2.gz RZHVRUWTWRIJLH-SECBINFHSA-N 0 1 376.471 1.032 20 0 GDADMN O=C(COC1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123852 952532459 /nfs/dbraw/zinc/53/24/59/952532459.db2.gz WTGVSUGJCHFKQP-GFCCVEGCSA-N 0 1 376.486 1.578 20 0 GDADMN O=C(COC1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123852 952532464 /nfs/dbraw/zinc/53/24/64/952532464.db2.gz WTGVSUGJCHFKQP-GFCCVEGCSA-N 0 1 376.486 1.578 20 0 GDADMN O=C(N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)C1(C(F)F)CC1 ZINC001571124851 952545286 /nfs/dbraw/zinc/54/52/86/952545286.db2.gz WLVWXPLLQRFZMC-NSHDSACASA-N 0 1 377.399 1.522 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001575214725 952567113 /nfs/dbraw/zinc/56/71/13/952567113.db2.gz ONKIXOUREKMTQK-ZIAGYGMSSA-N 0 1 394.426 1.209 20 0 GDADMN Cc1c(Br)ccnc1NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001571130570 952580316 /nfs/dbraw/zinc/58/03/16/952580316.db2.gz UAXJSZGTBNWJAI-SSDOTTSWSA-N 0 1 378.194 1.124 20 0 GDADMN Cc1ccncc1C(=O)N[C@@H]1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571134006 952583817 /nfs/dbraw/zinc/58/38/17/952583817.db2.gz BCORCMPZWCSTCV-UONOGXRCSA-N 0 1 378.440 1.540 20 0 GDADMN Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1-c1nn[nH]n1 ZINC001571134158 952585729 /nfs/dbraw/zinc/58/57/29/952585729.db2.gz BIEVPOGNSVYQSE-KBMXLJTQSA-N 0 1 378.440 1.434 20 0 GDADMN Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)[nH+]cc2-c2nnn[n-]2)n1C ZINC001571134521 952592040 /nfs/dbraw/zinc/59/20/40/952592040.db2.gz JRPPKAJZMVVWSP-KBPBESRZSA-N 0 1 378.440 1.320 20 0 GDADMN C[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571140245 952624231 /nfs/dbraw/zinc/62/42/31/952624231.db2.gz PGYRGVRWEKKINI-NEPJUHHUSA-N 0 1 379.415 1.777 20 0 GDADMN C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571141016 952630571 /nfs/dbraw/zinc/63/05/71/952630571.db2.gz FOCKCPNMWFCENY-CBAPKCEASA-N 0 1 378.849 1.877 20 0 GDADMN C[C@]12CN(C(=O)Cc3ccco3)C[C@H]1CN(c1ccncc1-c1nn[nH]n1)C2 ZINC001571141269 952632645 /nfs/dbraw/zinc/63/26/45/952632645.db2.gz JIZJJZHPMSFLOD-YJYMSZOUSA-N 0 1 379.424 1.382 20 0 GDADMN COc1cccc(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571142162 952638738 /nfs/dbraw/zinc/63/87/38/952638738.db2.gz QEAVHVAOGISGEC-UHFFFAOYSA-N 0 1 379.424 1.313 20 0 GDADMN C[C@@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cn[nH]c1 ZINC001571152640 952683288 /nfs/dbraw/zinc/68/32/88/952683288.db2.gz IWJDPTCPKAETRE-SVRRBLITSA-N 0 1 379.837 1.415 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571153927 952688543 /nfs/dbraw/zinc/68/85/43/952688543.db2.gz VYVQXLLUXXCXGN-FZQKWOKYSA-N 0 1 380.374 1.740 20 0 GDADMN Cc1cnc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C)c1 ZINC001571159721 952721666 /nfs/dbraw/zinc/72/16/66/952721666.db2.gz VVIDJQVZSQAAQI-CYBMUJFWSA-N 0 1 379.428 1.067 20 0 GDADMN Cc1occc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571161020 952729897 /nfs/dbraw/zinc/72/98/97/952729897.db2.gz OTZOOVWCYIGAOE-OLZOCXBDSA-N 0 1 380.412 1.133 20 0 GDADMN C[C@H]1CN(C(=O)c2ccn(C)c2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571167125 952770588 /nfs/dbraw/zinc/77/05/88/952770588.db2.gz WBWJLSPBKXMRJC-UONOGXRCSA-N 0 1 380.456 1.232 20 0 GDADMN CCn1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571169516 952774658 /nfs/dbraw/zinc/77/46/58/952774658.db2.gz FMCNQYHVZWCMOU-HNNXBMFYSA-N 0 1 380.456 1.478 20 0 GDADMN CCn1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571169517 952774735 /nfs/dbraw/zinc/77/47/35/952774735.db2.gz FMCNQYHVZWCMOU-OAHLLOKOSA-N 0 1 380.456 1.478 20 0 GDADMN Cc1ncccc1CN(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571170844 952789251 /nfs/dbraw/zinc/78/92/51/952789251.db2.gz XNYVOFXWULTKCO-MRXNPFEDSA-N 0 1 380.456 1.635 20 0 GDADMN CO[C@@H]1CCOC[C@H]1N[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001571171565 952795279 /nfs/dbraw/zinc/79/52/79/952795279.db2.gz CFTHPIFRNRABAO-CUOATXAZSA-N 0 1 380.836 1.241 20 0 GDADMN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571172008 952800416 /nfs/dbraw/zinc/80/04/16/952800416.db2.gz KDBWETNFRXZFMW-RUSTZOOPSA-N 0 1 381.362 1.141 20 0 GDADMN C[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CN1C(=O)c1cocn1 ZINC001571172194 952802888 /nfs/dbraw/zinc/80/28/88/952802888.db2.gz OXQVIYPMUHAEFQ-BQBZGAKWSA-N 0 1 380.821 1.680 20 0 GDADMN Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571172591 952808224 /nfs/dbraw/zinc/80/82/24/952808224.db2.gz XYERRJXNMFKNRL-MRXNPFEDSA-N 0 1 380.456 1.303 20 0 GDADMN Cc1cc(NC[C@H]2CN(C(=O)Cc3ccco3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179882 952856067 /nfs/dbraw/zinc/85/60/67/952856067.db2.gz JIYNSOCAYOPLDC-JSGCOSHPSA-N 0 1 381.440 1.334 20 0 GDADMN Cc1cocc1C(=O)NC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001571181943 952865446 /nfs/dbraw/zinc/86/54/46/952865446.db2.gz ZXMFQODARJWIOP-BXUZGUMPSA-N 0 1 381.440 1.974 20 0 GDADMN CCc1nc(C)c(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571182719 952868462 /nfs/dbraw/zinc/86/84/62/952868462.db2.gz CMHUXPBFFXACRK-UHFFFAOYSA-N 0 1 381.440 1.587 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183215 952875488 /nfs/dbraw/zinc/87/54/88/952875488.db2.gz SSRHMILQEMSYQC-KGLIPLIRSA-N 0 1 381.440 1.558 20 0 GDADMN C[C@@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC001571184049 952886793 /nfs/dbraw/zinc/88/67/93/952886793.db2.gz PDBLZOUPDKHVHU-IUODEOHRSA-N 0 1 381.444 1.409 20 0 GDADMN CCCc1[nH]ccc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184406 952894400 /nfs/dbraw/zinc/89/44/00/952894400.db2.gz YQCDWNWODFUGAV-UHFFFAOYSA-N 0 1 381.444 1.074 20 0 GDADMN Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001571185607 952903271 /nfs/dbraw/zinc/90/32/71/952903271.db2.gz NULDBQQUZPRYRP-TZMCWYRMSA-N 0 1 381.444 1.116 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c(C)[nH]1 ZINC001571187990 952910981 /nfs/dbraw/zinc/91/09/81/952910981.db2.gz FHGLHKWUDRQMSF-ZWNOBZJWSA-N 0 1 381.444 1.104 20 0 GDADMN Cc1cnc(CNC[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001571189358 952929087 /nfs/dbraw/zinc/92/90/87/952929087.db2.gz VMXFMEFMRMDTEN-AWEZNQCLSA-N 0 1 381.444 1.078 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]2C)n1C ZINC001571189563 952930678 /nfs/dbraw/zinc/93/06/78/952930678.db2.gz XLWOBSLLVWCWEY-QWHCGFSZSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571197323 952988900 /nfs/dbraw/zinc/98/89/00/952988900.db2.gz WNOCDPLEFNSPBW-VXGBXAGGSA-N 0 1 382.403 1.038 20 0 GDADMN CCc1ocnc1C(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571198559 952991093 /nfs/dbraw/zinc/99/10/93/952991093.db2.gz CDOFDJYSOMLYIK-UHFFFAOYSA-N 0 1 382.428 1.473 20 0 GDADMN CC(C)c1ccoc1C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571200781 953011680 /nfs/dbraw/zinc/01/16/80/953011680.db2.gz LTCNIZAZKGOGKZ-UHFFFAOYSA-N 0 1 382.428 1.416 20 0 GDADMN Cc1cc(C(=O)N2CCCC[C@@H]2CN(C)c2ccncc2-c2nn[nH]n2)on1 ZINC001571201996 953021921 /nfs/dbraw/zinc/02/19/21/953021921.db2.gz PWWORKNCFFQXQP-CYBMUJFWSA-N 0 1 382.428 1.689 20 0 GDADMN Cc1nc(C(=O)N2CCC[C@H](N(C)c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)co1 ZINC001571202786 953028681 /nfs/dbraw/zinc/02/86/81/953028681.db2.gz YSKLHHOCCQTDDI-ZDUSSCGKSA-N 0 1 382.428 1.608 20 0 GDADMN Cc1oc(C(C)C)cc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206447 953051137 /nfs/dbraw/zinc/05/11/37/953051137.db2.gz POYKXBQWIYSDSW-HAQNSBGRSA-N 0 1 382.428 1.476 20 0 GDADMN C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571209808 953067699 /nfs/dbraw/zinc/06/76/99/953067699.db2.gz FOLMHCJNHAHEHW-NKGKWGDASA-N 0 1 382.468 1.467 20 0 GDADMN C[C@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212502 953089092 /nfs/dbraw/zinc/08/90/92/953089092.db2.gz MORXWNPABFAEQJ-QWHCGFSZSA-N 0 1 382.472 1.165 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C1CC1 ZINC001571213224 953093038 /nfs/dbraw/zinc/09/30/38/953093038.db2.gz PVJQPGBVTOJLTD-DJJJIMSYSA-N 0 1 382.472 1.522 20 0 GDADMN CC1(C)CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571213655 953096553 /nfs/dbraw/zinc/09/65/53/953096553.db2.gz SRYIZSMMOFGCOR-CRWXNKLISA-N 0 1 382.472 1.709 20 0 GDADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571216909 953104192 /nfs/dbraw/zinc/10/41/92/953104192.db2.gz BZWUKUCJUOZDQK-DTWKUNHWSA-N 0 1 382.881 1.084 20 0 GDADMN C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571216909 953104196 /nfs/dbraw/zinc/10/41/96/953104196.db2.gz BZWUKUCJUOZDQK-DTWKUNHWSA-N 0 1 382.881 1.084 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)C(F)(F)F ZINC001571216993 953105763 /nfs/dbraw/zinc/10/57/63/953105763.db2.gz DSJGQNUMVXXDCJ-GMTAPVOTSA-N 0 1 383.378 1.388 20 0 GDADMN O=C(CC(F)(F)F)N1CCC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571217829 953111082 /nfs/dbraw/zinc/11/10/82/953111082.db2.gz PRBMCQZUWAPIEW-LLVKDONJSA-N 0 1 383.378 1.677 20 0 GDADMN O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C12CCC(CC1)C2 ZINC001571218476 953114856 /nfs/dbraw/zinc/11/48/56/953114856.db2.gz OXRSLUPVQHZDHA-BIWSTMPVSA-N 0 1 382.472 1.570 20 0 GDADMN O=C(C1CCC2(CC2)CC1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571218491 953116210 /nfs/dbraw/zinc/11/62/10/953116210.db2.gz PFDBBPJOBFAJEC-CQSZACIVSA-N 0 1 382.472 1.452 20 0 GDADMN O=C(C1CCC1)N1CCC([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571219396 953125588 /nfs/dbraw/zinc/12/55/88/953125588.db2.gz YWAMBYMFGMHUNA-OAHLLOKOSA-N 0 1 382.472 1.522 20 0 GDADMN Cn1ccc(C(=O)NC[C@H]2CCCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001571229415 953169250 /nfs/dbraw/zinc/16/92/50/953169250.db2.gz DPOXKXBXCZDSAP-OAHLLOKOSA-N 0 1 383.431 1.739 20 0 GDADMN Cn1ccc(C(=O)NC2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)c1 ZINC001571229463 953169723 /nfs/dbraw/zinc/16/97/23/953169723.db2.gz FVPDZEOWVYYLPG-UHFFFAOYSA-N 0 1 383.431 1.739 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571235323 953211640 /nfs/dbraw/zinc/21/16/40/953211640.db2.gz ZXPDTBBBHZKMEB-IWSPIJDZSA-N 0 1 383.865 1.462 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1)c1cn[nH]c1 ZINC001571241457 953246160 /nfs/dbraw/zinc/24/61/60/953246160.db2.gz ABHYBGLOVZAHPZ-HNNXBMFYSA-N 0 1 384.419 1.513 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(CCF)c1 ZINC001571241519 953247422 /nfs/dbraw/zinc/24/74/22/953247422.db2.gz BVMZUADHCAPSAU-OAHLLOKOSA-N 0 1 384.419 1.037 20 0 GDADMN Cc1cc(N(C)C[C@H]2CCCN2C(=O)c2cc(F)c[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571241873 953250915 /nfs/dbraw/zinc/25/09/15/953250915.db2.gz OESAWTQMDWNROG-CYBMUJFWSA-N 0 1 384.419 1.778 20 0 GDADMN Cc1ncsc1C(=O)N[C@]1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571244538 953263990 /nfs/dbraw/zinc/26/39/90/953263990.db2.gz AKIPHOCAXBDGTA-QGZVFWFLSA-N 0 1 384.469 1.734 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244894 953268424 /nfs/dbraw/zinc/26/84/24/953268424.db2.gz LJEKTANNXYDPMD-LBPRGKRZSA-N 0 1 384.469 1.312 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244894 953268428 /nfs/dbraw/zinc/26/84/28/953268428.db2.gz LJEKTANNXYDPMD-LBPRGKRZSA-N 0 1 384.469 1.312 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244894 953268432 /nfs/dbraw/zinc/26/84/32/953268432.db2.gz LJEKTANNXYDPMD-LBPRGKRZSA-N 0 1 384.469 1.312 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571244894 953268439 /nfs/dbraw/zinc/26/84/39/953268439.db2.gz LJEKTANNXYDPMD-LBPRGKRZSA-N 0 1 384.469 1.312 20 0 GDADMN Cc1cnc(CNC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@H]2C)o1 ZINC001571247581 953283167 /nfs/dbraw/zinc/28/31/67/953283167.db2.gz ARCPZZDAIXCWTG-RISCZKNCSA-N 0 1 384.444 1.379 20 0 GDADMN Cc1cc(CNC[C@@H]2[C@H](C)CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)on1 ZINC001571247569 953283464 /nfs/dbraw/zinc/28/34/64/953283464.db2.gz ARCKENNLSBBFPD-BDJLRTHQSA-N 0 1 384.444 1.522 20 0 GDADMN Cc1ncsc1C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571248447 953293592 /nfs/dbraw/zinc/29/35/92/953293592.db2.gz UEQOQJGUOSOSFJ-HAQNSBGRSA-N 0 1 384.469 1.602 20 0 GDADMN Cc1ncc(CN[C@H](C)[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571248574 953294979 /nfs/dbraw/zinc/29/49/79/953294979.db2.gz GXICLPOETSNFQV-BZNIZROVSA-N 0 1 384.444 1.664 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571248782 953297139 /nfs/dbraw/zinc/29/71/39/953297139.db2.gz ZYDFEZXUPUBITB-XLIONFOSSA-N 0 1 384.484 1.716 20 0 GDADMN Cc1nc(CNC[C@H]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)oc1C ZINC001571249357 953304258 /nfs/dbraw/zinc/30/42/58/953304258.db2.gz OVPKTAIBLMLVQV-JSGCOSHPSA-N 0 1 384.444 1.488 20 0 GDADMN CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571249455 953306025 /nfs/dbraw/zinc/30/60/25/953306025.db2.gz JGLPLWYTFKIHRE-UONOGXRCSA-N 0 1 384.488 1.910 20 0 GDADMN CC(=O)N1CCC[C@@H](C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CCCC2)C1 ZINC001571250229 953309506 /nfs/dbraw/zinc/30/95/06/953309506.db2.gz OSYVUBDIYWXLBM-GOEBONIOSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C1CCCC1 ZINC001571251565 953318974 /nfs/dbraw/zinc/31/89/74/953318974.db2.gz ZOICVTSMIUAJAQ-JSGCOSHPSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571251839 953320435 /nfs/dbraw/zinc/32/04/35/953320435.db2.gz AYGMYIHLJSPIRZ-KKUMJFAQSA-N 0 1 384.488 1.958 20 0 GDADMN CCN(C(=O)C1C(C)(C)C1(C)C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571252667 953332219 /nfs/dbraw/zinc/33/22/19/953332219.db2.gz SYKBGXYUBAGAJS-GFCCVEGCSA-N 0 1 384.488 1.766 20 0 GDADMN O=C(c1cccc(F)c1F)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571255141 953346069 /nfs/dbraw/zinc/34/60/69/953346069.db2.gz JEBQLCIHLMBARX-NSHDSACASA-N 0 1 385.378 1.679 20 0 GDADMN O=C(NC[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ccon1 ZINC001571255685 953353144 /nfs/dbraw/zinc/35/31/44/953353144.db2.gz RZKPEJMUTVIEFR-GFCCVEGCSA-N 0 1 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1.899 20 0 GDADMN Cc1cc(N2C[C@@H]3[C@H](C2)OCCN3C)n2c3ccccc3nc2c1-c1nn[nH]n1 ZINC000822205975 606727654 /nfs/dbraw/zinc/72/76/54/606727654.db2.gz PIDUDINBVHCXTK-CVEARBPZSA-N 0 1 390.451 1.495 20 0 GDADMN CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCNCC12CC(C1)CO2 ZINC000530241072 649968181 /nfs/dbraw/zinc/96/81/81/649968181.db2.gz HSYHHOIEIFKMEH-UHFFFAOYSA-N 0 1 387.523 1.413 20 0 GDADMN C[C@H](COc1ccccc1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820291963 606885973 /nfs/dbraw/zinc/88/59/73/606885973.db2.gz BDGUFYAPBGTHNV-SNVBAGLBSA-N 0 1 395.391 1.891 20 0 GDADMN CCCc1nnc([C@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000821142553 606904985 /nfs/dbraw/zinc/90/49/85/606904985.db2.gz JWZDPKWLVQINPQ-LSDHHAIUSA-N 0 1 384.444 1.044 20 0 GDADMN CCCc1n[nH]c([C@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000821142553 606904986 /nfs/dbraw/zinc/90/49/86/606904986.db2.gz JWZDPKWLVQINPQ-LSDHHAIUSA-N 0 1 384.444 1.044 20 0 GDADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821623732 607035315 /nfs/dbraw/zinc/03/53/15/607035315.db2.gz RGZYKOAVVGWLDM-QGZVFWFLSA-N 0 1 392.467 1.158 20 0 GDADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821623732 607035317 /nfs/dbraw/zinc/03/53/17/607035317.db2.gz RGZYKOAVVGWLDM-QGZVFWFLSA-N 0 1 392.467 1.158 20 0 GDADMN O=C(NCCc1nc[nH]n1)Nc1ncc(Cc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000823229247 607035870 /nfs/dbraw/zinc/03/58/70/607035870.db2.gz JAMYCCNDOPSFPM-UHFFFAOYSA-N 0 1 396.440 1.396 20 0 GDADMN CCn1ccnc1CN1CCCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000821566680 607063771 /nfs/dbraw/zinc/06/37/71/607063771.db2.gz PDHJFJJXEFNUKD-UHFFFAOYSA-N 0 1 384.463 1.930 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822004141 607073796 /nfs/dbraw/zinc/07/37/96/607073796.db2.gz AZVOYGIXZICNEK-ZBFHGGJFSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822004141 607073798 /nfs/dbraw/zinc/07/37/98/607073798.db2.gz AZVOYGIXZICNEK-ZBFHGGJFSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822004141 607073800 /nfs/dbraw/zinc/07/38/00/607073800.db2.gz AZVOYGIXZICNEK-ZBFHGGJFSA-N 0 1 399.499 1.459 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1-c1nnn[n-]1 ZINC000821969794 607159638 /nfs/dbraw/zinc/15/96/38/607159638.db2.gz FDYOLKMKWNSUAN-GXFFZTMASA-N 0 1 389.485 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1-c1nn[n-]n1 ZINC000821969794 607159640 /nfs/dbraw/zinc/15/96/40/607159640.db2.gz FDYOLKMKWNSUAN-GXFFZTMASA-N 0 1 389.485 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1-c1nn[n-]n1 ZINC000821969794 607159642 /nfs/dbraw/zinc/15/96/42/607159642.db2.gz FDYOLKMKWNSUAN-GXFFZTMASA-N 0 1 389.485 1.246 20 0 GDADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000822153563 607172381 /nfs/dbraw/zinc/17/23/81/607172381.db2.gz MZEYJFWYURCBHV-UHFFFAOYSA-N 0 1 378.439 1.445 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000823123072 607209980 /nfs/dbraw/zinc/20/99/80/607209980.db2.gz MSNMHNBWAYDEAN-KNVOCYPGSA-N 0 1 398.271 1.048 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000823131692 607210957 /nfs/dbraw/zinc/21/09/57/607210957.db2.gz MAHFVLGNUQFZTR-UHFFFAOYSA-N 0 1 395.358 1.101 20 0 GDADMN CC(C)CCOc1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000820076712 607212274 /nfs/dbraw/zinc/21/22/74/607212274.db2.gz RYSZDBNZGHNWLN-ZDUSSCGKSA-N 0 1 384.444 1.761 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(Sc2ccccc2)CCCC1 ZINC000823127108 607216372 /nfs/dbraw/zinc/21/63/72/607216372.db2.gz TYRPIUACQJGJHB-UHFFFAOYSA-N 0 1 384.469 1.680 20 0 GDADMN Cc1ccc(-n2nc(C(C)C)cc2NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822224812 607219051 /nfs/dbraw/zinc/21/90/51/607219051.db2.gz AXHAQTUMNRZNBE-UHFFFAOYSA-N 0 1 392.427 1.714 20 0 GDADMN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822233586 607220272 /nfs/dbraw/zinc/22/02/72/607220272.db2.gz RNUYUDFGNFAKDM-GOEBONIOSA-N 0 1 382.428 1.051 20 0 GDADMN C[C@@H](CCNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000820242751 607220569 /nfs/dbraw/zinc/22/05/69/607220569.db2.gz QNLLPWPRTRYOLN-JTQLQIEISA-N 0 1 394.361 1.787 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823127083 607221156 /nfs/dbraw/zinc/22/11/56/607221156.db2.gz SBOWVOQDDYOHTA-UHFFFAOYSA-N 0 1 376.380 1.303 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000823127013 607224179 /nfs/dbraw/zinc/22/41/79/607224179.db2.gz QRXUNGQWRXGBMV-UHFFFAOYSA-N 0 1 379.211 1.571 20 0 GDADMN Cc1cc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)ncn1 ZINC000826257741 607792522 /nfs/dbraw/zinc/79/25/22/607792522.db2.gz NTHRXWNGPAQHSG-UHFFFAOYSA-N 0 1 378.440 1.313 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC(Cn2ccnn2)CC1 ZINC000824046810 607801399 /nfs/dbraw/zinc/80/13/99/607801399.db2.gz VQJWYLVEIJBTBX-ZDUSSCGKSA-N 0 1 381.444 1.197 20 0 GDADMN O=S(=O)(CCN1CC[C@@H](C2CCOCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484498 607859282 /nfs/dbraw/zinc/85/92/82/607859282.db2.gz FSOTZJUMUVGOFU-MRXNPFEDSA-N 0 1 391.497 1.389 20 0 GDADMN CCN(CC)C(=O)[C@H]1CCCN1Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825399592 607921465 /nfs/dbraw/zinc/92/14/65/607921465.db2.gz YQOOSLNLKUEFEI-OAHLLOKOSA-N 0 1 386.456 1.486 20 0 GDADMN CN1Cc2ccccc2[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C1 ZINC000826051189 607935738 /nfs/dbraw/zinc/93/57/38/607935738.db2.gz JASYITDNEUAFFV-MRXNPFEDSA-N 0 1 385.453 1.113 20 0 GDADMN O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488922 607971640 /nfs/dbraw/zinc/97/16/40/607971640.db2.gz CLXVVAPGZBUWGU-ZIAGYGMSSA-N 0 1 393.375 1.082 20 0 GDADMN CN1CC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826029593 607973404 /nfs/dbraw/zinc/97/34/04/607973404.db2.gz UMXSDDAXURBTCX-ZWKOTPCHSA-N 0 1 398.492 1.732 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(C(C)(C)C)n2)c1-c1nnn[n-]1 ZINC000826077730 608019747 /nfs/dbraw/zinc/01/97/47/608019747.db2.gz SFBANQZAXMMRAY-UHFFFAOYSA-N 0 1 386.464 1.254 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC000826077730 608019748 /nfs/dbraw/zinc/01/97/48/608019748.db2.gz SFBANQZAXMMRAY-UHFFFAOYSA-N 0 1 386.464 1.254 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC)cc2Cl)c1-c1nnn[n-]1 ZINC000826082998 608020638 /nfs/dbraw/zinc/02/06/38/608020638.db2.gz DRUPAEBVBLLMRE-UHFFFAOYSA-N 0 1 390.835 1.656 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC)cc2Cl)c1-c1nn[n-]n1 ZINC000826082998 608020639 /nfs/dbraw/zinc/02/06/39/608020639.db2.gz DRUPAEBVBLLMRE-UHFFFAOYSA-N 0 1 390.835 1.656 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccccc2OC)c1-c1nnn[n-]1 ZINC000826073573 608021166 /nfs/dbraw/zinc/02/11/66/608021166.db2.gz XTUMDKBJOWYLOL-UHFFFAOYSA-N 0 1 398.471 1.667 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000826073573 608021167 /nfs/dbraw/zinc/02/11/67/608021167.db2.gz XTUMDKBJOWYLOL-UHFFFAOYSA-N 0 1 398.471 1.667 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826077657 608021228 /nfs/dbraw/zinc/02/12/28/608021228.db2.gz PNRROVUJBIPAEM-UHFFFAOYSA-N 0 1 388.863 1.967 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826077657 608021229 /nfs/dbraw/zinc/02/12/29/608021229.db2.gz PNRROVUJBIPAEM-UHFFFAOYSA-N 0 1 388.863 1.967 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)c(OC)c2)c1-c1nnn[n-]1 ZINC000826084307 608021653 /nfs/dbraw/zinc/02/16/53/608021653.db2.gz YLWDSIAZFSORID-UHFFFAOYSA-N 0 1 390.835 1.656 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)c(OC)c2)c1-c1nn[n-]n1 ZINC000826084307 608021654 /nfs/dbraw/zinc/02/16/54/608021654.db2.gz YLWDSIAZFSORID-UHFFFAOYSA-N 0 1 390.835 1.656 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccccc3)CCC2)c1-c1nnn[n-]1 ZINC000826073183 608021989 /nfs/dbraw/zinc/02/19/89/608021989.db2.gz IUEZPOQXALSIBO-UHFFFAOYSA-N 0 1 380.456 1.802 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccccc3)CCC2)c1-c1nn[n-]n1 ZINC000826073183 608021990 /nfs/dbraw/zinc/02/19/90/608021990.db2.gz IUEZPOQXALSIBO-UHFFFAOYSA-N 0 1 380.456 1.802 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(OC(C)C)n2)c1-c1nnn[n-]1 ZINC000826083085 608022476 /nfs/dbraw/zinc/02/24/76/608022476.db2.gz IFIIJTCZMFGDPK-UHFFFAOYSA-N 0 1 385.432 1.176 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(OC(C)C)n2)c1-c1nn[n-]n1 ZINC000826083085 608022477 /nfs/dbraw/zinc/02/24/77/608022477.db2.gz IFIIJTCZMFGDPK-UHFFFAOYSA-N 0 1 385.432 1.176 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1csc(-c2ccccn2)n1 ZINC000825935279 608037316 /nfs/dbraw/zinc/03/73/16/608037316.db2.gz YTICSRHQXRVOCD-UHFFFAOYSA-N 0 1 396.484 1.755 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC000826266478 608065833 /nfs/dbraw/zinc/06/58/33/608065833.db2.gz PUMXCVLXHXSTTQ-PXAZEXFGSA-N 0 1 396.455 1.612 20 0 GDADMN 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/nfs/dbraw/zinc/80/94/11/939809411.db2.gz SUVPJCUVYNWFTO-INMHGKMJSA-N 0 1 391.493 1.626 20 0 GDADMN C[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653530660 939837050 /nfs/dbraw/zinc/83/70/50/939837050.db2.gz JGBMPBYVIPNVOZ-ZXTQRBJTSA-N 0 1 391.468 1.544 20 0 GDADMN C[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653530660 939837051 /nfs/dbraw/zinc/83/70/51/939837051.db2.gz JGBMPBYVIPNVOZ-ZXTQRBJTSA-N 0 1 391.468 1.544 20 0 GDADMN C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323612360 971022442 /nfs/dbraw/zinc/02/24/42/971022442.db2.gz LFOCVTYPRGYXHF-AWEZNQCLSA-N 0 1 377.466 1.856 20 0 GDADMN CC(C)CN1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735835395 944704391 /nfs/dbraw/zinc/70/43/91/944704391.db2.gz ISZVIUCCSDQXKT-GOSISDBHSA-N 0 1 383.500 1.636 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1-c1nn[nH]n1 ZINC000737186114 944978077 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UWIMMCCYOWRGEB-XJKSGUPXSA-N 0 1 385.472 1.210 20 0 GDADMN CO[C@@H]1CCC[C@@H](C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001571264721 945491363 /nfs/dbraw/zinc/49/13/63/945491363.db2.gz UZWMJQYBKJANEF-UKRRQHHQSA-N 0 1 385.472 1.552 20 0 GDADMN CCC(=O)N1CCC([C@@H]2OCCC[C@@H]2Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571264739 945491845 /nfs/dbraw/zinc/49/18/45/945491845.db2.gz VNAXZIPFYFJNBL-WMZOPIPTSA-N 0 1 385.472 1.292 20 0 GDADMN CC1(C)C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1NC(=O)Cc1ccc[nH]1 ZINC001571265593 945512906 /nfs/dbraw/zinc/51/29/06/945512906.db2.gz MFDHLUKBIOXCIR-HNNXBMFYSA-N 0 1 385.497 1.826 20 0 GDADMN CC1(C)C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1NC(=O)Cc1ccc[nH]1 ZINC001571265593 945512909 /nfs/dbraw/zinc/51/29/09/945512909.db2.gz MFDHLUKBIOXCIR-HNNXBMFYSA-N 0 1 385.497 1.826 20 0 GDADMN CC[C@H]1CN(C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CCN1CCOC ZINC000820989055 945605217 /nfs/dbraw/zinc/60/52/17/945605217.db2.gz KZUZSZBGQVZUFM-HNNXBMFYSA-N 0 1 391.451 1.258 20 0 GDADMN CCc1n[nH]cc1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571271383 945642715 /nfs/dbraw/zinc/64/27/15/945642715.db2.gz BCVFJNOOZBCALI-UHFFFAOYSA-N 0 1 386.485 1.512 20 0 GDADMN CCc1n[nH]cc1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571271383 945642718 /nfs/dbraw/zinc/64/27/18/945642718.db2.gz BCVFJNOOZBCALI-UHFFFAOYSA-N 0 1 386.485 1.512 20 0 GDADMN Cc1c[nH]c(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571271624 945646029 /nfs/dbraw/zinc/64/60/29/945646029.db2.gz FWDMFNQYIDPKGK-VXGBXAGGSA-N 0 1 386.485 1.600 20 0 GDADMN Cc1c[nH]c(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571271624 945646032 /nfs/dbraw/zinc/64/60/32/945646032.db2.gz FWDMFNQYIDPKGK-VXGBXAGGSA-N 0 1 386.485 1.600 20 0 GDADMN CC[NH+](CC)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821180454 945648761 /nfs/dbraw/zinc/64/87/61/945648761.db2.gz CTGDMYUHQAXJKV-HNNXBMFYSA-N 0 1 383.460 1.805 20 0 GDADMN CC[NH+](CC)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821180454 945648767 /nfs/dbraw/zinc/64/87/67/945648767.db2.gz CTGDMYUHQAXJKV-HNNXBMFYSA-N 0 1 383.460 1.805 20 0 GDADMN CN1CCN(c2ccc(NC(=O)c3ncc(-c4nn[nH]n4)cc3Cl)cn2)CC1 ZINC000821628296 945755491 /nfs/dbraw/zinc/75/54/91/945755491.db2.gz FNWSYNCTUODVRX-UHFFFAOYSA-N 0 1 399.846 1.314 20 0 GDADMN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571282749 945859723 /nfs/dbraw/zinc/85/97/23/945859723.db2.gz PUZBBNZDXCNQSO-INIZCTEOSA-N 0 1 387.463 1.529 20 0 GDADMN CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571282749 945859734 /nfs/dbraw/zinc/85/97/34/945859734.db2.gz PUZBBNZDXCNQSO-INIZCTEOSA-N 0 1 387.463 1.529 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCCCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571284106 945893428 /nfs/dbraw/zinc/89/34/28/945893428.db2.gz LOBOSWIIPKIYIK-WMLDXEAASA-N 0 1 387.488 1.600 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCOCc2ccccc2)cc1-c1nn[nH]n1 ZINC000821979288 945912746 /nfs/dbraw/zinc/91/27/46/945912746.db2.gz QQMQSJIHGKIWLS-UHFFFAOYSA-N 0 1 386.437 1.636 20 0 GDADMN C[C@@]1(C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CCOC1 ZINC001571287214 945967703 /nfs/dbraw/zinc/96/77/03/945967703.db2.gz AWPHFYWMQFSZAO-LJQANCHMSA-N 0 1 388.447 1.513 20 0 GDADMN CO[C@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C1CCC1 ZINC001571288459 945988825 /nfs/dbraw/zinc/98/88/25/945988825.db2.gz PAWQLGYDONCCOZ-WBVHZDCISA-N 0 1 388.447 1.511 20 0 GDADMN Cn1cc(Br)c(C(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)n1 ZINC001571294594 946139118 /nfs/dbraw/zinc/13/91/18/946139118.db2.gz JJJJVUZBDKDCQQ-UHFFFAOYSA-N 0 1 389.626 1.725 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000822614968 946140936 /nfs/dbraw/zinc/14/09/36/946140936.db2.gz YFHOTDSARPYMMJ-CQSZACIVSA-N 0 1 381.444 1.386 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000822614968 946140943 /nfs/dbraw/zinc/14/09/43/946140943.db2.gz YFHOTDSARPYMMJ-CQSZACIVSA-N 0 1 381.444 1.386 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000822614968 946140950 /nfs/dbraw/zinc/14/09/50/946140950.db2.gz YFHOTDSARPYMMJ-CQSZACIVSA-N 0 1 381.444 1.386 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000822614968 946140958 /nfs/dbraw/zinc/14/09/58/946140958.db2.gz YFHOTDSARPYMMJ-CQSZACIVSA-N 0 1 381.444 1.386 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1Cc2cccnc2C1 ZINC001571295596 946170107 /nfs/dbraw/zinc/17/01/07/946170107.db2.gz YRBJQFLCGUGXCV-ROUUACIJSA-N 0 1 389.463 1.367 20 0 GDADMN CC(C)(O)CC(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571300215 946274020 /nfs/dbraw/zinc/27/40/20/946274020.db2.gz XCIOXESKNNEGRT-GXTWGEPZSA-N 0 1 390.513 1.512 20 0 GDADMN CC(C)(O)CC(=O)N1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571300215 946274032 /nfs/dbraw/zinc/27/40/32/946274032.db2.gz XCIOXESKNNEGRT-GXTWGEPZSA-N 0 1 390.513 1.512 20 0 GDADMN CC(C)(O)CC(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571300215 946274043 /nfs/dbraw/zinc/27/40/43/946274043.db2.gz XCIOXESKNNEGRT-GXTWGEPZSA-N 0 1 390.513 1.512 20 0 GDADMN CC(C)(O)CC(=O)N1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571300215 946274054 /nfs/dbraw/zinc/27/40/54/946274054.db2.gz XCIOXESKNNEGRT-GXTWGEPZSA-N 0 1 390.513 1.512 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300160 946275290 /nfs/dbraw/zinc/27/52/90/946275290.db2.gz VVUZJVUXYDFXQC-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300160 946275312 /nfs/dbraw/zinc/27/53/12/946275312.db2.gz VVUZJVUXYDFXQC-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300160 946275321 /nfs/dbraw/zinc/27/53/21/946275321.db2.gz VVUZJVUXYDFXQC-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571300160 946275330 /nfs/dbraw/zinc/27/53/30/946275330.db2.gz VVUZJVUXYDFXQC-ZIAGYGMSSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(c1c(F)cncc1F)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571301821 946284796 /nfs/dbraw/zinc/28/47/96/946284796.db2.gz DYSFRGCSQTXAOA-VIFPVBQESA-N 0 1 391.407 1.606 20 0 GDADMN O=C(c1c(F)cncc1F)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571301821 946284804 /nfs/dbraw/zinc/28/48/04/946284804.db2.gz DYSFRGCSQTXAOA-VIFPVBQESA-N 0 1 391.407 1.606 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)C3(C)CC(F)(F)C3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302311 946299599 /nfs/dbraw/zinc/29/95/99/946299599.db2.gz UNSWLRUOEPGLNY-QMTHXVAHSA-N 0 1 391.426 1.686 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)c2scnc2Cl)C1 ZINC001571306187 946391193 /nfs/dbraw/zinc/39/11/93/946391193.db2.gz QLOHYGIHNPVZFK-QMMMGPOBSA-N 0 1 391.848 1.118 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571307581 946424454 /nfs/dbraw/zinc/42/44/54/946424454.db2.gz FNOFJTIGHDRQNV-WDEREUQCSA-N 0 1 392.414 1.020 20 0 GDADMN CC1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001571308107 946430612 /nfs/dbraw/zinc/43/06/12/946430612.db2.gz MXMRKIHBRNMSMT-NSHDSACASA-N 0 1 392.414 1.165 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC001571310620 946478021 /nfs/dbraw/zinc/47/80/21/946478021.db2.gz KWDWNKSRJYCKHE-ZBFHGGJFSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@H]1CN(C(=O)CCc2ccccn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571314002 946539920 /nfs/dbraw/zinc/53/99/20/946539920.db2.gz YPLUPFUHRCTBLO-LSDHHAIUSA-N 0 1 392.467 1.218 20 0 GDADMN Cc1cc(NC[C@@]2(C)CCN(C(=O)c3ccncc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315848 946561465 /nfs/dbraw/zinc/56/14/65/946561465.db2.gz PMGGWKZYKBFEIF-HXUWFJFHSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571316013 946564081 /nfs/dbraw/zinc/56/40/81/946564081.db2.gz RSMHNKCDKAWKKQ-OAHLLOKOSA-N 0 1 392.467 1.954 20 0 GDADMN Cn1cccc1C(=O)N1C[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571316874 946590698 /nfs/dbraw/zinc/59/06/98/946590698.db2.gz ORUNYCDQDSSOGL-NUEKZKHPSA-N 0 1 392.467 1.375 20 0 GDADMN CC(C)(C)Oc1c(F)cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1F ZINC000824119627 946596394 /nfs/dbraw/zinc/59/63/94/946596394.db2.gz MKFHJOMWOQGOHN-UHFFFAOYSA-N 0 1 378.343 1.552 20 0 GDADMN O=C(c1cnn2c1CCC2)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571317543 946614278 /nfs/dbraw/zinc/61/42/78/946614278.db2.gz LXEBFQVSJYQUKW-UHFFFAOYSA-N 0 1 392.467 1.358 20 0 GDADMN Brc1ccc(-c2nnc(Cn3cc(-c4nn[nH]n4)nn3)o2)s1 ZINC001573279209 946634339 /nfs/dbraw/zinc/63/43/39/946634339.db2.gz DYYNUKRFCYOLFN-UHFFFAOYSA-N 0 1 380.191 1.381 20 0 GDADMN C[C@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562059 946802576 /nfs/dbraw/zinc/80/25/76/946802576.db2.gz CHEQMYQZQCJMJN-LBPRGKRZSA-N 0 1 380.408 1.927 20 0 GDADMN CC[NH+](CC)[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000825405492 947176254 /nfs/dbraw/zinc/17/62/54/947176254.db2.gz BUFKIYZACOKCJM-MRXNPFEDSA-N 0 1 397.483 1.775 20 0 GDADMN CC[NH+](CC)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000825405492 947176259 /nfs/dbraw/zinc/17/62/59/947176259.db2.gz BUFKIYZACOKCJM-MRXNPFEDSA-N 0 1 397.483 1.775 20 0 GDADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000825616106 947259521 /nfs/dbraw/zinc/25/95/21/947259521.db2.gz WQVOTYFPMWKWOW-UHFFFAOYSA-N 0 1 396.455 1.598 20 0 GDADMN C=C/C(C)=C\CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573317212 947294773 /nfs/dbraw/zinc/29/47/73/947294773.db2.gz MQVUVKNPOBEJTF-XMRSSTEGSA-N 0 1 382.472 1.900 20 0 GDADMN C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573592794 947347809 /nfs/dbraw/zinc/34/78/09/947347809.db2.gz MWDLPTIVEZPKEX-AWEZNQCLSA-N 0 1 382.472 1.643 20 0 GDADMN CN(CCc1ccccn1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825946239 947380627 /nfs/dbraw/zinc/38/06/27/947380627.db2.gz PBMCDLLRTKRTHE-SFHVURJKSA-N 0 1 377.452 1.932 20 0 GDADMN C[C@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573594358 947392715 /nfs/dbraw/zinc/39/27/15/947392715.db2.gz YIABESFUVSQRFX-SUMWQHHRSA-N 0 1 385.472 1.504 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573594871 947410822 /nfs/dbraw/zinc/41/08/22/947410822.db2.gz DCWLFSMWMSHPKS-IUODEOHRSA-N 0 1 392.479 1.597 20 0 GDADMN COC(=O)[C@@H]1CN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C ZINC000826132602 947446066 /nfs/dbraw/zinc/44/60/66/947446066.db2.gz FCIHLYUZFNFEAM-WQVCFCJDSA-N 0 1 384.440 1.103 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)c1cnn(C)c1 ZINC001573601769 947463797 /nfs/dbraw/zinc/46/37/97/947463797.db2.gz BEGFZFKIKPWXBS-CQSZACIVSA-N 0 1 382.472 1.294 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573603337 947484497 /nfs/dbraw/zinc/48/44/97/947484497.db2.gz KKKJUONDXUKVCY-CXAGYDPISA-N 0 1 390.463 1.711 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573615284 947604253 /nfs/dbraw/zinc/60/42/53/947604253.db2.gz DAMWKASDQYUUEI-NWDGAFQWSA-N 0 1 384.469 1.559 20 0 GDADMN C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573352203 947627271 /nfs/dbraw/zinc/62/72/71/947627271.db2.gz YNQAZSFLLZXVEY-HNNXBMFYSA-N 0 1 376.424 1.651 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573617415 947635992 /nfs/dbraw/zinc/63/59/92/947635992.db2.gz OZOXUOXZFKCGKX-UONOGXRCSA-N 0 1 381.440 1.943 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573354860 947636167 /nfs/dbraw/zinc/63/61/67/947636167.db2.gz IYWYXJIEVPHLQC-CQSZACIVSA-N 0 1 384.465 1.452 20 0 GDADMN C/C(=C/C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1)C1CC1 ZINC001573361647 947694192 /nfs/dbraw/zinc/69/41/92/947694192.db2.gz DFTORSLSWXVKKJ-KWDXZQLTSA-N 0 1 381.484 1.997 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573627822 947734895 /nfs/dbraw/zinc/73/48/95/947734895.db2.gz CTKVUQZQZDMXBI-TUAOUCFPSA-N 0 1 392.414 1.518 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573628234 947750410 /nfs/dbraw/zinc/75/04/10/947750410.db2.gz JGVKXRHVBRPYJK-QWHCGFSZSA-N 0 1 382.428 1.268 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573630232 947788351 /nfs/dbraw/zinc/78/83/51/947788351.db2.gz WYJWTSJTZRJFRD-NXEZZACHSA-N 0 1 384.366 1.070 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573376326 947834581 /nfs/dbraw/zinc/83/45/81/947834581.db2.gz YSUBGYVWEHETSP-ZDUSSCGKSA-N 0 1 376.486 1.626 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573376326 947834588 /nfs/dbraw/zinc/83/45/88/947834588.db2.gz YSUBGYVWEHETSP-ZDUSSCGKSA-N 0 1 376.486 1.626 20 0 GDADMN CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573376328 947834655 /nfs/dbraw/zinc/83/46/55/947834655.db2.gz YTLRGNARNPJQNM-OAHLLOKOSA-N 0 1 385.472 1.626 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573376393 947835735 /nfs/dbraw/zinc/83/57/35/947835735.db2.gz ZRRDINUASOSXSD-INIZCTEOSA-N 0 1 384.484 1.906 20 0 GDADMN CC(C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)=C1CCCC1 ZINC001573647130 947885612 /nfs/dbraw/zinc/88/56/12/947885612.db2.gz CVDJTKJAMDLQPG-GASCZTMLSA-N 0 1 380.456 1.442 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573647499 947896843 /nfs/dbraw/zinc/89/68/43/947896843.db2.gz MYLGHOUSBOEGKQ-TYNCELHUSA-N 0 1 396.430 1.280 20 0 GDADMN C[C@H](C(=O)N=[S@](C)(=O)c1cccc(Cl)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573651031 947918253 /nfs/dbraw/zinc/91/82/53/947918253.db2.gz IMABSOAQNXWYFV-IWHNICOQSA-N 0 1 380.821 1.356 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573651693 947923571 /nfs/dbraw/zinc/92/35/71/947923571.db2.gz OYXXUUXCCDNAJJ-JEZHCXPESA-N 0 1 379.877 1.812 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccc1 ZINC001573651656 947923898 /nfs/dbraw/zinc/92/38/98/947923898.db2.gz NVWOVQUDBPNGJH-KFKAGJAMSA-N 0 1 391.479 1.962 20 0 GDADMN Cc1cnc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c(C)c1 ZINC000826318114 947932686 /nfs/dbraw/zinc/93/26/86/947932686.db2.gz WLTRABJBYOXYLT-UHFFFAOYSA-N 0 1 394.439 1.706 20 0 GDADMN C[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccc1 ZINC001573653244 947953252 /nfs/dbraw/zinc/95/32/52/947953252.db2.gz JYNXNEFISJAJHX-DOMZBBRYSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccc1 ZINC001573653244 947953257 /nfs/dbraw/zinc/95/32/57/947953257.db2.gz JYNXNEFISJAJHX-DOMZBBRYSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573660038 948018074 /nfs/dbraw/zinc/01/80/74/948018074.db2.gz XBRCURGCWBJCCM-SNVBAGLBSA-N 0 1 380.403 1.423 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1-c1nnn[n-]1 ZINC000826348974 948084730 /nfs/dbraw/zinc/08/47/30/948084730.db2.gz OHKDTGSZJHXDJM-UHFFFAOYSA-N 0 1 394.439 1.861 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1-c1nn[n-]n1 ZINC000826348974 948084740 /nfs/dbraw/zinc/08/47/40/948084740.db2.gz OHKDTGSZJHXDJM-UHFFFAOYSA-N 0 1 394.439 1.861 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573666253 948085322 /nfs/dbraw/zinc/08/53/22/948085322.db2.gz RNXMUFHROKEILI-GJZGRUSLSA-N 0 1 380.456 1.800 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CCC1 ZINC001573675906 948124708 /nfs/dbraw/zinc/12/47/08/948124708.db2.gz RPFDKQNUDPNLJZ-TZMCWYRMSA-N 0 1 384.488 1.814 20 0 GDADMN Cn1cc(CN2CCS[C@H]3COCC[C@@H]32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361350 948131759 /nfs/dbraw/zinc/13/17/59/948131759.db2.gz UDRVOZSXHMRTQN-IRXDYDNUSA-N 0 1 397.508 1.974 20 0 GDADMN CC(=O)N1CC2(CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)[C@H]2COC[C@H]21 ZINC001573426891 948159871 /nfs/dbraw/zinc/15/98/71/948159871.db2.gz QCWOTDURBFSOGZ-DOTOQJQBSA-N 0 1 383.456 1.034 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001573680685 948185266 /nfs/dbraw/zinc/18/52/66/948185266.db2.gz PQEHIMZZEWDHML-DYVFJYSZSA-N 0 1 380.456 1.435 20 0 GDADMN CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573432637 948191842 /nfs/dbraw/zinc/19/18/42/948191842.db2.gz HKOIWQBFZZAVOV-TZMCWYRMSA-N 0 1 386.353 1.895 20 0 GDADMN C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1)C1CC1 ZINC001573681292 948198930 /nfs/dbraw/zinc/19/89/30/948198930.db2.gz UMUKAUFYQGFCOG-SWLSCSKDSA-N 0 1 378.440 1.394 20 0 GDADMN O=C(COc1ccccc1-c1nn[nH]n1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000826419449 948263960 /nfs/dbraw/zinc/26/39/60/948263960.db2.gz YLZYJRZRYOTCFO-MRXNPFEDSA-N 0 1 376.380 1.269 20 0 GDADMN O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826455660 948329315 /nfs/dbraw/zinc/32/93/15/948329315.db2.gz YINWFALTAWCHQA-UHFFFAOYSA-N 0 1 379.384 1.160 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573704321 948370397 /nfs/dbraw/zinc/37/03/97/948370397.db2.gz APHXEZBACHLAOO-NEPJUHHUSA-N 0 1 384.469 1.464 20 0 GDADMN O=S(=O)(Nc1ccc(F)cc1-c1nn[nH]n1)c1ccc2c(c1)OCCCO2 ZINC000826493178 948405634 /nfs/dbraw/zinc/40/56/34/948405634.db2.gz XDTNTHSTSURBIB-UHFFFAOYSA-N 0 1 391.384 1.968 20 0 GDADMN O[C@@H](COC(c1ccccc1)c1ccccc1)Cn1cnc(-c2nn[nH]n2)n1 ZINC000826504053 948422863 /nfs/dbraw/zinc/42/28/63/948422863.db2.gz MBQQSRSHICKQEP-MRXNPFEDSA-N 0 1 377.408 1.625 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573713648 948465823 /nfs/dbraw/zinc/46/58/23/948465823.db2.gz AUAIQDFLRZWFAS-NEPJUHHUSA-N 0 1 379.415 1.886 20 0 GDADMN C[C@H](C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573717065 948504679 /nfs/dbraw/zinc/50/46/79/948504679.db2.gz BDDRLFUAEMTDPJ-NSHDSACASA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573725528 948542569 /nfs/dbraw/zinc/54/25/69/948542569.db2.gz ADHROTUDKBCXLT-XDQVBPFNSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)C(F)(F)F ZINC001573727413 948553577 /nfs/dbraw/zinc/55/35/77/948553577.db2.gz NEUVRZURUYUFOR-OUAUKWLOSA-N 0 1 383.378 1.649 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573727550 948555453 /nfs/dbraw/zinc/55/54/53/948555453.db2.gz AETLWTIMDAEBBM-AVGNSLFASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573727550 948555455 /nfs/dbraw/zinc/55/54/55/948555455.db2.gz AETLWTIMDAEBBM-AVGNSLFASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)C(C)(F)F ZINC001573728645 948561407 /nfs/dbraw/zinc/56/14/07/948561407.db2.gz QFDCFAOJLLYSNB-GRYCIOLGSA-N 0 1 379.415 1.742 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573728673 948563067 /nfs/dbraw/zinc/56/30/67/948563067.db2.gz QKLYMTAEORCCAG-IJEWVQPXSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573741083 948649374 /nfs/dbraw/zinc/64/93/74/948649374.db2.gz XKKUVARKITWFTL-MYPMTAMASA-N 0 1 391.439 1.081 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cccnc1 ZINC001573745969 948677911 /nfs/dbraw/zinc/67/79/11/948677911.db2.gz HKHLHSOTFMZLGM-BNOWGMLFSA-N 0 1 383.481 1.864 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cccnc1 ZINC001573745969 948677916 /nfs/dbraw/zinc/67/79/16/948677916.db2.gz HKHLHSOTFMZLGM-BNOWGMLFSA-N 0 1 383.481 1.864 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573753606 948718874 /nfs/dbraw/zinc/71/88/74/948718874.db2.gz VUNHJULFQARMCN-FVQBIDKESA-N 0 1 384.488 1.585 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573753661 948721548 /nfs/dbraw/zinc/72/15/48/948721548.db2.gz WRLXFRDDQMKTOH-RNJOBUHISA-N 0 1 380.412 1.279 20 0 GDADMN CC(C)[C@@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574075661 948747668 /nfs/dbraw/zinc/74/76/68/948747668.db2.gz YJTUMDPGDXCAQY-RDTXWAMCSA-N 0 1 388.451 1.470 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755799 948783904 /nfs/dbraw/zinc/78/39/04/948783904.db2.gz IPDWEHYEDKXIEL-VIFPVBQESA-N 0 1 380.347 1.254 20 0 GDADMN CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575224738 948792453 /nfs/dbraw/zinc/79/24/53/948792453.db2.gz YFBOAQQFDIJYTE-NSHDSACASA-N 0 1 392.414 1.425 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575225489 948805470 /nfs/dbraw/zinc/80/54/70/948805470.db2.gz DGIAIVKYXGLQOD-MXWKQRLJSA-N 0 1 390.398 1.318 20 0 GDADMN CC(C)[C@@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001574081136 948817099 /nfs/dbraw/zinc/81/70/99/948817099.db2.gz QSUYKKMOUBFPPG-RVZJWNSFSA-N 0 1 388.451 1.516 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573757295 948834671 /nfs/dbraw/zinc/83/46/71/948834671.db2.gz ZPCAOPICGXTCKM-JTQLQIEISA-N 0 1 381.400 1.031 20 0 GDADMN CC(C)c1nc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)cs1 ZINC001574426884 948891329 /nfs/dbraw/zinc/89/13/29/948891329.db2.gz VLVBFEMPPAHXEM-UHFFFAOYSA-N 0 1 385.457 1.033 20 0 GDADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@H]1CCCCN1C ZINC001574684916 948896429 /nfs/dbraw/zinc/89/64/29/948896429.db2.gz PEANZCPMJHONAL-BXUZGUMPSA-N 0 1 392.895 1.706 20 0 GDADMN C[C@H](CNC(=O)CCc1cncs1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921118 948915210 /nfs/dbraw/zinc/91/52/10/948915210.db2.gz SOVIXYGCIPUTAF-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN C[C@H](CNC(=O)CCc1cncs1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921118 948915224 /nfs/dbraw/zinc/91/52/24/948915224.db2.gz SOVIXYGCIPUTAF-LLVKDONJSA-N 0 1 391.526 1.954 20 0 GDADMN CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)s1 ZINC001574427844 948915067 /nfs/dbraw/zinc/91/50/67/948915067.db2.gz RXKCNZDZCFTKLX-LLVKDONJSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](CNC(=O)CCc1cncs1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574921140 948918047 /nfs/dbraw/zinc/91/80/47/948918047.db2.gz TVKKSWIMRSNYJQ-LLVKDONJSA-N 0 1 389.460 1.689 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncs1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574921141 948919103 /nfs/dbraw/zinc/91/91/03/948919103.db2.gz TVKKSWIMRSNYJQ-NSHDSACASA-N 0 1 389.460 1.689 20 0 GDADMN CC(C)(C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573771051 948932121 /nfs/dbraw/zinc/93/21/21/948932121.db2.gz AJKCDXSVCWFSJZ-UWVGGRQHSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433836 948967257 /nfs/dbraw/zinc/96/72/57/948967257.db2.gz SAYIEMNSOOJVOP-JTQLQIEISA-N 0 1 385.457 1.245 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574925979 948981596 /nfs/dbraw/zinc/98/15/96/948981596.db2.gz FOCFBDBRIDXQJJ-QMMMGPOBSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574925979 948981608 /nfs/dbraw/zinc/98/16/08/948981608.db2.gz FOCFBDBRIDXQJJ-QMMMGPOBSA-N 0 1 384.897 1.378 20 0 GDADMN CC(C)(C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)(F)F ZINC001573773571 948986728 /nfs/dbraw/zinc/98/67/28/948986728.db2.gz MEPDIPZQDWNLOU-UHFFFAOYSA-N 0 1 383.378 1.935 20 0 GDADMN CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574439874 949018495 /nfs/dbraw/zinc/01/84/95/949018495.db2.gz LCKBNPAUCMWBPS-JTQLQIEISA-N 0 1 387.473 1.231 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1)[NH+](C)C ZINC001574694600 949083243 /nfs/dbraw/zinc/08/32/43/949083243.db2.gz SLXGHFYBADWSFN-BLLLJJGKSA-N 0 1 377.468 1.851 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574092887 949085534 /nfs/dbraw/zinc/08/55/34/949085534.db2.gz UWKIZJNDYPIHFJ-SPKCYCRISA-N 0 1 382.472 1.210 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccc1 ZINC001575251059 949125843 /nfs/dbraw/zinc/12/58/43/949125843.db2.gz KQCICGQKSUIRHC-QWHCGFSZSA-N 0 1 385.497 1.927 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001574094236 949134501 /nfs/dbraw/zinc/13/45/01/949134501.db2.gz YGTGKWNZPIIUON-HZPDHXFCSA-N 0 1 392.467 1.599 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446656 949136976 /nfs/dbraw/zinc/13/69/76/949136976.db2.gz VGFQDUMIAXHAKU-GFCCVEGCSA-N 0 1 382.428 1.629 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001574447649 949167231 /nfs/dbraw/zinc/16/72/31/949167231.db2.gz VXGBVDDKABETPZ-AWEZNQCLSA-N 0 1 384.444 1.662 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573787183 949167481 /nfs/dbraw/zinc/16/74/81/949167481.db2.gz OLTLUYVKFRTNJE-RDBSUJKOSA-N 0 1 382.472 1.709 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515880 949197363 /nfs/dbraw/zinc/19/73/63/949197363.db2.gz MEJGWXLMPSETPH-QWHCGFSZSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574935635 949203409 /nfs/dbraw/zinc/20/34/09/949203409.db2.gz DVRWVEBOAVMQLU-GFCCVEGCSA-N 0 1 386.406 1.982 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574936884 949218281 /nfs/dbraw/zinc/21/82/81/949218281.db2.gz LTLOTVMBGZIANS-LLVKDONJSA-N 0 1 387.394 1.724 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2ccoc2Cl)CC1 ZINC001575853980 949222249 /nfs/dbraw/zinc/22/22/49/949222249.db2.gz PPWDTKQJBUKVRC-UHFFFAOYSA-N 0 1 388.819 1.432 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001589604853 949233895 /nfs/dbraw/zinc/23/38/95/949233895.db2.gz IZGSNVWRHTWSHU-QRWLVFNGSA-N 0 1 376.453 1.888 20 0 GDADMN CC(C)(C)C(=O)N1CCC([C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573792092 949234393 /nfs/dbraw/zinc/23/43/93/949234393.db2.gz KAWYXRBQYHNIBT-AWEZNQCLSA-N 0 1 384.488 1.910 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001589605881 949264306 /nfs/dbraw/zinc/26/43/06/949264306.db2.gz YNVJRCWGTXHHDH-YOEHRIQHSA-N 0 1 390.546 1.565 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC001589605880 949264620 /nfs/dbraw/zinc/26/46/20/949264620.db2.gz YNVJRCWGTXHHDH-WMLDXEAASA-N 0 1 390.546 1.565 20 0 GDADMN C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702395 949279425 /nfs/dbraw/zinc/27/94/25/949279425.db2.gz IGVIRTPZGXUXED-SNVBAGLBSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574941231 949298099 /nfs/dbraw/zinc/29/80/99/949298099.db2.gz PRFPIAHSMGBJOU-CYBMUJFWSA-N 0 1 392.467 1.117 20 0 GDADMN CC(C)n1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)cn1 ZINC001574455805 949314927 /nfs/dbraw/zinc/31/49/27/949314927.db2.gz ZMUUXQNTIUDYGT-MRXNPFEDSA-N 0 1 380.456 1.648 20 0 GDADMN CC(C)n1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574457165 949315612 /nfs/dbraw/zinc/31/56/12/949315612.db2.gz AUABUBBAGFMVBG-BETUJISGSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H](CN(C)C(=O)C1CC(F)(F)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703297 949321617 /nfs/dbraw/zinc/32/16/17/949321617.db2.gz AXGWITFFKLSZCM-SNVBAGLBSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575259924 949343612 /nfs/dbraw/zinc/34/36/12/949343612.db2.gz SLQOBMZVDNAOEN-UWVGGRQHSA-N 0 1 380.403 1.209 20 0 GDADMN C[C@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260899 949368494 /nfs/dbraw/zinc/36/84/94/949368494.db2.gz YJCMINACZQMWNK-STQMWFEESA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H]1CCC[C@@H](C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576154927 949369882 /nfs/dbraw/zinc/36/98/82/949369882.db2.gz RPWVGBMDZZZJQJ-DZGCQCFKSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576154907 949370698 /nfs/dbraw/zinc/37/06/98/949370698.db2.gz SFHVPAGIYWBKFJ-DJJJIMSYSA-N 0 1 384.488 1.910 20 0 GDADMN CC1(C)CN(C(=O)[C@@]2(C)CC=CCC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575527949 949384435 /nfs/dbraw/zinc/38/44/35/949384435.db2.gz KEDABIQKVACUQF-YJYMSZOUSA-N 0 1 382.472 1.474 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001574463850 949388187 /nfs/dbraw/zinc/38/81/87/949388187.db2.gz CVKBJKZKWPNKRP-OLZOCXBDSA-N 0 1 381.444 1.436 20 0 GDADMN CC(C)n1cnc(C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574464179 949397551 /nfs/dbraw/zinc/39/75/51/949397551.db2.gz IEIINUYREDCKPG-UHFFFAOYSA-N 0 1 382.472 1.848 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCC1(F)F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574704874 949409202 /nfs/dbraw/zinc/40/92/02/949409202.db2.gz FJBMVOZSQDCWEK-ZWNOBZJWSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574945486 949410529 /nfs/dbraw/zinc/41/05/29/949410529.db2.gz KSAYKGXCIGEMTO-NSHDSACASA-N 0 1 381.444 1.023 20 0 GDADMN C[C@H](CNC(=O)Cc1ncccc1F)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574946236 949427994 /nfs/dbraw/zinc/42/79/94/949427994.db2.gz TUMGNXOREQUNBL-LLVKDONJSA-N 0 1 387.394 1.377 20 0 GDADMN C[C@]1(C(=O)N2CCC(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575534519 949428810 /nfs/dbraw/zinc/42/88/10/949428810.db2.gz NCIQCDCNJOKBGQ-SFHVURJKSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)N2CCC(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)CCOC1 ZINC001575534519 949428823 /nfs/dbraw/zinc/42/88/23/949428823.db2.gz NCIQCDCNJOKBGQ-SFHVURJKSA-N 0 1 390.513 1.683 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465172 949433746 /nfs/dbraw/zinc/43/37/46/949433746.db2.gz RDJHTUZKUBQDPD-ZDUSSCGKSA-N 0 1 381.444 1.035 20 0 GDADMN C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575265846 949457470 /nfs/dbraw/zinc/45/74/70/949457470.db2.gz VUERLVBJPJLPSE-ZFWWWQNUSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574707870 949481036 /nfs/dbraw/zinc/48/10/36/949481036.db2.gz RHVMBRPBXQRSDV-BDAKNGLRSA-N 0 1 385.881 1.805 20 0 GDADMN CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573806953 949500296 /nfs/dbraw/zinc/50/02/96/949500296.db2.gz ZFNVMMGUZLQKEW-UKRRQHHQSA-N 0 1 378.440 1.319 20 0 GDADMN C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575269202 949543682 /nfs/dbraw/zinc/54/36/82/949543682.db2.gz SBIWSIXWOJUGRT-ZIAGYGMSSA-N 0 1 385.472 1.288 20 0 GDADMN C[C@H](NC(=O)C[C@@H]1CCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269730 949560210 /nfs/dbraw/zinc/56/02/10/949560210.db2.gz WONXZFGMPHHJBW-JSGCOSHPSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574955091 949560793 /nfs/dbraw/zinc/56/07/93/949560793.db2.gz BBVKMAIQINOPIV-YHMZSZJBSA-N 0 1 386.431 1.024 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)COCC1CC1 ZINC001573810776 949576200 /nfs/dbraw/zinc/57/62/00/949576200.db2.gz CLPUASGMIZGHKE-HNNXBMFYSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)COCC1CC1 ZINC001573810776 949576214 /nfs/dbraw/zinc/57/62/14/949576214.db2.gz CLPUASGMIZGHKE-HNNXBMFYSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCCC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166657 949583328 /nfs/dbraw/zinc/58/33/28/949583328.db2.gz NFEOKCTUEYAIGD-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCCc1cccs1 ZINC001575270499 949591545 /nfs/dbraw/zinc/59/15/45/949591545.db2.gz CZPBZIMCTZSGNA-NEPJUHHUSA-N 0 1 386.485 1.468 20 0 GDADMN C[C@@H](NC(=O)CCCc1ccsc1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575271655 949622264 /nfs/dbraw/zinc/62/22/64/949622264.db2.gz LQXPCBYBVZVLKJ-VXGBXAGGSA-N 0 1 386.485 1.468 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574714097 949623854 /nfs/dbraw/zinc/62/38/54/949623854.db2.gz CBHJZHMNMFWZPD-CHWSQXEVSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574714097 949623867 /nfs/dbraw/zinc/62/38/67/949623867.db2.gz CBHJZHMNMFWZPD-CHWSQXEVSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574714491 949628699 /nfs/dbraw/zinc/62/86/99/949628699.db2.gz DRFLLIBEQBOPKF-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574715167 949640942 /nfs/dbraw/zinc/64/09/42/949640942.db2.gz HHLXMQUYLIPKRM-BDAKNGLRSA-N 0 1 385.881 1.805 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccoc1 ZINC001573814992 949648792 /nfs/dbraw/zinc/64/87/92/949648792.db2.gz FZVJSEKZBHYXEJ-ZDUSSCGKSA-N 0 1 384.444 1.247 20 0 GDADMN C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575273256 949660336 /nfs/dbraw/zinc/66/03/36/949660336.db2.gz UZSQQXVNEPFFCF-KBPBESRZSA-N 0 1 380.456 1.407 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574131450 949662893 /nfs/dbraw/zinc/66/28/93/949662893.db2.gz GFMYUWXKTWHLAI-CYBMUJFWSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576169039 949664012 /nfs/dbraw/zinc/66/40/12/949664012.db2.gz IAIRIRKSWZTKNW-KGLIPLIRSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715755 949667084 /nfs/dbraw/zinc/66/70/84/949667084.db2.gz GEOQZQFZYKXFET-XJKSGUPXSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@H](CN(C)C(=O)CC1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574715986 949675969 /nfs/dbraw/zinc/67/59/69/949675969.db2.gz GTQRGRBGLNPBHX-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)CC1CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574715986 949675983 /nfs/dbraw/zinc/67/59/83/949675983.db2.gz GTQRGRBGLNPBHX-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)[C@@H](CNc1cccc(F)c1-c1nn[nH]n1)NC(=O)Cc1nnc[nH]1 ZINC001573817163 949695367 /nfs/dbraw/zinc/69/53/67/949695367.db2.gz XWWVIBZIKTWTKM-GFCCVEGCSA-N 0 1 387.423 1.309 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880212 949700137 /nfs/dbraw/zinc/70/01/37/949700137.db2.gz SGECLPFCMCRVOI-OCCSQVGLSA-N 0 1 382.428 1.356 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880213 949700867 /nfs/dbraw/zinc/70/08/67/949700867.db2.gz SGECLPFCMCRVOI-TZMCWYRMSA-N 0 1 382.428 1.356 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1cnns1 ZINC001576170505 949719588 /nfs/dbraw/zinc/71/95/88/949719588.db2.gz LOHADJLHJKVXAH-YGRLFVJLSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574478806 949724959 /nfs/dbraw/zinc/72/49/59/949724959.db2.gz ASULXJLALYQKGL-ZIAGYGMSSA-N 0 1 381.444 1.147 20 0 GDADMN C[C@@H]1CCCN(C(=O)CN2CCCC2)[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001576171011 949743506 /nfs/dbraw/zinc/74/35/06/949743506.db2.gz ONZIRWYTOCSALS-ZBFHGGJFSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574480130 949744599 /nfs/dbraw/zinc/74/45/99/949744599.db2.gz GYPUCJOQNQDCQK-OLZOCXBDSA-N 0 1 382.428 1.126 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(F)CCOCC1 ZINC001573818964 949744646 /nfs/dbraw/zinc/74/46/46/949744646.db2.gz PTELIAIDKGOWGL-CQSZACIVSA-N 0 1 391.451 1.145 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171512 949767254 /nfs/dbraw/zinc/76/72/54/949767254.db2.gz RNKQKZQFYIPRBD-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718332 949775424 /nfs/dbraw/zinc/77/54/24/949775424.db2.gz ZYKUYZMNOWKAEF-APPDUMDISA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718332 949775437 /nfs/dbraw/zinc/77/54/37/949775437.db2.gz ZYKUYZMNOWKAEF-APPDUMDISA-N 0 1 378.502 1.416 20 0 GDADMN C[C@H]1CCCC[C@@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576171694 949778175 /nfs/dbraw/zinc/77/81/75/949778175.db2.gz RDBOPFYYVJVJAL-KBPBESRZSA-N 0 1 384.488 1.603 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172078 949789950 /nfs/dbraw/zinc/78/99/50/949789950.db2.gz UOKLIXOPBBYEMI-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172078 949789962 /nfs/dbraw/zinc/78/99/62/949789962.db2.gz UOKLIXOPBBYEMI-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172072 949790095 /nfs/dbraw/zinc/79/00/95/949790095.db2.gz UOKLIXOPBBYEMI-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172072 949790113 /nfs/dbraw/zinc/79/01/13/949790113.db2.gz UOKLIXOPBBYEMI-DZGCQCFKSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576172064 949791289 /nfs/dbraw/zinc/79/12/89/949791289.db2.gz UMZKSILVGFZCRF-DZGCQCFKSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576172064 949791304 /nfs/dbraw/zinc/79/13/04/949791304.db2.gz UMZKSILVGFZCRF-DZGCQCFKSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC2CC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172118 949797804 /nfs/dbraw/zinc/79/78/04/949797804.db2.gz VGFFLRFIXSABNM-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574965956 949828121 /nfs/dbraw/zinc/82/81/21/949828121.db2.gz PNLQDOUBNYWNAI-MRVPVSSYSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cccc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574965979 949829752 /nfs/dbraw/zinc/82/97/52/949829752.db2.gz QTTXUEGELQYQFW-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001574142374 949867409 /nfs/dbraw/zinc/86/74/09/949867409.db2.gz YGIAOEGKRFRSDP-QGTPRVQTSA-N 0 1 386.500 1.600 20 0 GDADMN CC(C)(C)C1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573825340 949875476 /nfs/dbraw/zinc/87/54/76/949875476.db2.gz SJDJPFYAFJFJPV-HOAMVYINSA-N 0 1 382.472 1.519 20 0 GDADMN CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574142989 949882011 /nfs/dbraw/zinc/88/20/11/949882011.db2.gz DPINUKDNQWRBFL-KKUMJFAQSA-N 0 1 387.488 1.584 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1CNCc1nccs1 ZINC001576178634 949891922 /nfs/dbraw/zinc/89/19/22/949891922.db2.gz CICVQRJIOHDEEF-SMDDNHRTSA-N 0 1 386.485 1.682 20 0 GDADMN CC(C)(C)/C=C/C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573826012 949898065 /nfs/dbraw/zinc/89/80/65/949898065.db2.gz DWESNQQPXNAKKG-HZRUHFOJSA-N 0 1 385.472 1.315 20 0 GDADMN CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574143988 949903824 /nfs/dbraw/zinc/90/38/24/949903824.db2.gz JVIGAYJMILSAEJ-UONOGXRCSA-N 0 1 388.476 1.193 20 0 GDADMN C[C@H](CNC(=O)c1c(F)cncc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574968881 949913804 /nfs/dbraw/zinc/91/38/04/949913804.db2.gz UWSOGWYLIPUNKI-SECBINFHSA-N 0 1 391.357 1.587 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574485227 949921575 /nfs/dbraw/zinc/92/15/75/949921575.db2.gz VLFNIHJHQZZXOS-GDBMZVCRSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576180450 949957649 /nfs/dbraw/zinc/95/76/49/949957649.db2.gz HZJMLFDWKDJRRU-GXFFZTMASA-N 0 1 388.457 1.342 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576180450 949957665 /nfs/dbraw/zinc/95/76/65/949957665.db2.gz HZJMLFDWKDJRRU-GXFFZTMASA-N 0 1 388.457 1.342 20 0 GDADMN CC1(C(=O)NC[C@@H](Nc2ccncc2-c2nn[nH]n2)C2CC2)CC(F)(F)C1 ZINC001575572097 949970556 /nfs/dbraw/zinc/97/05/56/949970556.db2.gz DFIPHIYQIMYHIV-CYBMUJFWSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574489982 949975158 /nfs/dbraw/zinc/97/51/58/949975158.db2.gz MIIXUWAWCYZVNN-WCQYABFASA-N 0 1 382.428 1.172 20 0 GDADMN CC(C)(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573831103 949991791 /nfs/dbraw/zinc/99/17/91/949991791.db2.gz SWRSDRCMJYVPDX-UHFFFAOYSA-N 0 1 392.529 1.808 20 0 GDADMN CC(C)(C)CC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573831103 949991813 /nfs/dbraw/zinc/99/18/13/949991813.db2.gz SWRSDRCMJYVPDX-UHFFFAOYSA-N 0 1 392.529 1.808 20 0 GDADMN CC(C)(C)CC(=O)N1CCC2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001573831360 949994172 /nfs/dbraw/zinc/99/41/72/949994172.db2.gz WBLPQHSXQQNJBL-UHFFFAOYSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@@H](CC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CC1 ZINC001574490793 950016252 /nfs/dbraw/zinc/01/62/52/950016252.db2.gz ZFBFBRONMMOVLE-CFVMTHIKSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCC[C@@H](C)C1 ZINC001576182400 950049645 /nfs/dbraw/zinc/04/96/45/950049645.db2.gz ZIUAFSCOPYRUKL-VXGBXAGGSA-N 0 1 382.465 1.405 20 0 GDADMN C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182411 950051992 /nfs/dbraw/zinc/05/19/92/950051992.db2.gz ZQJXSISDMODMKT-QWHCGFSZSA-N 0 1 384.488 1.411 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(F)cn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151062 950054901 /nfs/dbraw/zinc/05/49/01/950054901.db2.gz KIZQWIDSGSMCOZ-HNNXBMFYSA-N 0 1 386.435 1.663 20 0 GDADMN C[C@@]1(C(=O)NCC2(NCc3cc(-c4nn[nH]n4)ccc3F)CCC2)CCOC1 ZINC001575576561 950072579 /nfs/dbraw/zinc/07/25/79/950072579.db2.gz RELWMVDRRCDQTE-GOSISDBHSA-N 0 1 388.447 1.561 20 0 GDADMN C[C@@H](CN(C)C(=O)Cn1cccn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574732564 950074190 /nfs/dbraw/zinc/07/41/90/950074190.db2.gz KCGBUVGMASBORH-QMMMGPOBSA-N 0 1 381.853 1.132 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ncccn1 ZINC001574151441 950074926 /nfs/dbraw/zinc/07/49/26/950074926.db2.gz REXJAMPHRKHTCD-LBPRGKRZSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ncccn1 ZINC001574151441 950074950 /nfs/dbraw/zinc/07/49/50/950074950.db2.gz REXJAMPHRKHTCD-LBPRGKRZSA-N 0 1 386.485 1.653 20 0 GDADMN CC[N@@H+](Cc1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1)C(C)C ZINC000262188878 950082280 /nfs/dbraw/zinc/08/22/80/950082280.db2.gz GPJKKZJNIQNHCU-HNNXBMFYSA-N 0 1 377.485 1.968 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1CCOCC1 ZINC001574151647 950088094 /nfs/dbraw/zinc/08/80/94/950088094.db2.gz XAKDKVBLFONJDB-CQSZACIVSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1CCOCC1 ZINC001574151647 950088117 /nfs/dbraw/zinc/08/81/17/950088117.db2.gz XAKDKVBLFONJDB-CQSZACIVSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H](CN(C)C(=O)Cn1ccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574733009 950092363 /nfs/dbraw/zinc/09/23/63/950092363.db2.gz PPZLLWJPNHNGIA-QMMMGPOBSA-N 0 1 381.853 1.132 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575893963 950093988 /nfs/dbraw/zinc/09/39/88/950093988.db2.gz CBBNGNXPVNJWFO-DYVFJYSZSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574492638 950097872 /nfs/dbraw/zinc/09/78/72/950097872.db2.gz NWKPIPGBFCXPCC-KGLIPLIRSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183867 950106098 /nfs/dbraw/zinc/10/60/98/950106098.db2.gz RTCBIDAQLHKGRV-VXGBXAGGSA-N 0 1 379.415 1.625 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1cnc[nH]1 ZINC001574152582 950112564 /nfs/dbraw/zinc/11/25/64/950112564.db2.gz GRCJSNUVBSHBJZ-OAHLLOKOSA-N 0 1 383.460 1.560 20 0 GDADMN CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21 ZINC001573838465 950115118 /nfs/dbraw/zinc/11/51/18/950115118.db2.gz DTZURFGWWMIIPY-MBTKJCJQSA-N 0 1 381.893 1.964 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574733688 950120408 /nfs/dbraw/zinc/12/04/08/950120408.db2.gz GAAXYRXQPHTJAO-VBNZEHGJSA-N 0 1 395.442 1.885 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734774 950142815 /nfs/dbraw/zinc/14/28/15/950142815.db2.gz QRJMVXGVZCXONK-ZIAGYGMSSA-N 0 1 380.456 1.216 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2csnn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575900062 950188002 /nfs/dbraw/zinc/18/80/02/950188002.db2.gz BOBONKGWSLVSMH-SMDDNHRTSA-N 0 1 384.469 1.501 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cccs1 ZINC001574156088 950223897 /nfs/dbraw/zinc/22/38/97/950223897.db2.gz WICAGEFIDSUWFU-GFCCVEGCSA-N 0 1 386.485 1.326 20 0 GDADMN CC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575587147 950227282 /nfs/dbraw/zinc/22/72/82/950227282.db2.gz LOQFIJYVBBCBBC-CYBMUJFWSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575587147 950227301 /nfs/dbraw/zinc/22/73/01/950227301.db2.gz LOQFIJYVBBCBBC-CYBMUJFWSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575587147 950227320 /nfs/dbraw/zinc/22/73/20/950227320.db2.gz LOQFIJYVBBCBBC-CYBMUJFWSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575587147 950227340 /nfs/dbraw/zinc/22/73/40/950227340.db2.gz LOQFIJYVBBCBBC-CYBMUJFWSA-N 0 1 390.513 1.683 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573846624 950249033 /nfs/dbraw/zinc/24/90/33/950249033.db2.gz TVXQVCBLXKRSLN-RRFJBIMHSA-N 0 1 399.499 1.395 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCCOCC1 ZINC001574157870 950259282 /nfs/dbraw/zinc/25/92/82/950259282.db2.gz KJMZFIXKMDYRIP-GJZGRUSLSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192702 950262396 /nfs/dbraw/zinc/26/23/96/950262396.db2.gz QBXUJEINWKVDIB-RYUDHWBXSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574742157 950270712 /nfs/dbraw/zinc/27/07/12/950270712.db2.gz MTEWTESMGJJIQJ-QMMMGPOBSA-N 0 1 392.345 1.069 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ncccn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903379 950279212 /nfs/dbraw/zinc/27/92/12/950279212.db2.gz ZSWYOQNPOUUJEX-BBRMVZONSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001574498518 950281155 /nfs/dbraw/zinc/28/11/55/950281155.db2.gz OMWATBMNCYBVBO-CBAPKCEASA-N 0 1 385.881 1.302 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ncccc1[O-] ZINC001575905451 950295346 /nfs/dbraw/zinc/29/53/46/950295346.db2.gz CNCOQKSAVWUZPK-SWLSCSKDSA-N 0 1 379.424 1.360 20 0 GDADMN C[C@H]1[C@H](NCc2cc(F)ccc2F)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575906024 950303069 /nfs/dbraw/zinc/30/30/69/950303069.db2.gz FZHMHCQEWMSWKD-ZUZCIYMTSA-N 0 1 387.394 1.866 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(Cl)o1 ZINC001574159704 950318649 /nfs/dbraw/zinc/31/86/49/950318649.db2.gz YBWJGNNQLQIAEY-JTQLQIEISA-N 0 1 390.835 1.582 20 0 GDADMN C[C@H](CC(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574502375 950373208 /nfs/dbraw/zinc/37/32/08/950373208.db2.gz MNDFYGUHOCXURN-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](CC(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574502376 950374744 /nfs/dbraw/zinc/37/47/44/950374744.db2.gz MNDFYGUHOCXURN-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909354 950394422 /nfs/dbraw/zinc/39/44/22/950394422.db2.gz YWHKKGYJWOPRDV-GWCFXTLKSA-N 0 1 389.510 1.706 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cncs1 ZINC001575909354 950394440 /nfs/dbraw/zinc/39/44/40/950394440.db2.gz YWHKKGYJWOPRDV-GWCFXTLKSA-N 0 1 389.510 1.706 20 0 GDADMN CC(C)CC1(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CCC1 ZINC001574162647 950396888 /nfs/dbraw/zinc/39/68/88/950396888.db2.gz GFUQARKCBXMOHW-UHFFFAOYSA-N 0 1 387.488 1.133 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cccc(F)c1F ZINC001574747241 950411286 /nfs/dbraw/zinc/41/12/86/950411286.db2.gz SLTNRHHKAWFQOW-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN CC1(C(=O)NCc2ccc(CNc3ccnc(-c4nn[nH]n4)n3)cc2F)CC1 ZINC001575599403 950428041 /nfs/dbraw/zinc/42/80/41/950428041.db2.gz IXBAHISRVRPGIZ-UHFFFAOYSA-N 0 1 382.403 1.246 20 0 GDADMN CC1CCN(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576202554 950428715 /nfs/dbraw/zinc/42/87/15/950428715.db2.gz AVJMSHZKQUGYCA-INIZCTEOSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@H](CC(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F)c1ccncc1 ZINC001574508131 950471073 /nfs/dbraw/zinc/47/10/73/950471073.db2.gz JECUGYTYYLOJTB-CYBMUJFWSA-N 0 1 383.431 1.800 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)n1cccc1 ZINC001574508913 950492038 /nfs/dbraw/zinc/49/20/38/950492038.db2.gz QGYGDXHEPRJIFK-QLFBSQMISA-N 0 1 395.471 1.298 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576205285 950507082 /nfs/dbraw/zinc/50/70/82/950507082.db2.gz WMUFLFXKKOTTIW-KGLIPLIRSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)CCC(=O)N1CCC2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001574171900 950573336 /nfs/dbraw/zinc/57/33/36/950573336.db2.gz WAXAALANZHTHER-UHFFFAOYSA-N 0 1 384.488 1.912 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573870197 950584721 /nfs/dbraw/zinc/58/47/21/950584721.db2.gz GJCQTDZVEANVJB-ZDUSSCGKSA-N 0 1 388.476 1.337 20 0 GDADMN CC(C)CCC(=O)N1CCO[C@@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574173038 950587309 /nfs/dbraw/zinc/58/73/09/950587309.db2.gz DTYZQCPRMUNTCL-INIZCTEOSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CN1CCC(C)CC1 ZINC001576207395 950592739 /nfs/dbraw/zinc/59/27/39/950592739.db2.gz GWQGXKPJSJWAEL-LBPRGKRZSA-N 0 1 392.895 1.564 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573870536 950594319 /nfs/dbraw/zinc/59/43/19/950594319.db2.gz HSPVXRXFBMCYLG-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573870536 950594339 /nfs/dbraw/zinc/59/43/39/950594339.db2.gz HSPVXRXFBMCYLG-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575918773 950598805 /nfs/dbraw/zinc/59/88/05/950598805.db2.gz FAXZHTFPEZAUFK-ACJLOTCBSA-N 0 1 389.463 1.500 20 0 GDADMN CC1(C)C(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)C1(C)C ZINC001575617626 950604119 /nfs/dbraw/zinc/60/41/19/950604119.db2.gz DMWFCBBGGHNKKW-UHFFFAOYSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919864 950624963 /nfs/dbraw/zinc/62/49/63/950624963.db2.gz KWJFNCYIODWVLL-BXUZGUMPSA-N 0 1 382.403 1.263 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573871810 950626579 /nfs/dbraw/zinc/62/65/79/950626579.db2.gz XBFMGMAUSBHHRJ-CQSZACIVSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573871810 950626590 /nfs/dbraw/zinc/62/65/90/950626590.db2.gz XBFMGMAUSBHHRJ-CQSZACIVSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001576213434 950627999 /nfs/dbraw/zinc/62/79/99/950627999.db2.gz AAATUHKEYKWKNC-LSDHHAIUSA-N 0 1 387.492 1.132 20 0 GDADMN CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCC(=O)[O-])CC1 ZINC001589744050 950639736 /nfs/dbraw/zinc/63/97/36/950639736.db2.gz JALUITVDGZTUCR-SFHVURJKSA-N 0 1 389.496 1.523 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575002591 950664599 /nfs/dbraw/zinc/66/45/99/950664599.db2.gz VQGBEIICXKNZOX-SECBINFHSA-N 0 1 375.795 1.707 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573876248 950666805 /nfs/dbraw/zinc/66/68/05/950666805.db2.gz HKYBODPSIASQOV-XJFOESAGSA-N 0 1 382.472 1.519 20 0 GDADMN CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]21 ZINC001575624779 950674152 /nfs/dbraw/zinc/67/41/52/950674152.db2.gz OGSHCGFVJIOJET-DFBGVHRSSA-N 0 1 388.451 1.516 20 0 GDADMN CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]21 ZINC001575624782 950676174 /nfs/dbraw/zinc/67/61/74/950676174.db2.gz OGSHCGFVJIOJET-KCPJHIHWSA-N 0 1 388.451 1.516 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccnn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574761073 950692111 /nfs/dbraw/zinc/69/21/11/950692111.db2.gz QKJOBKASSDOTMW-ZETCQYMHSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001574519734 950694909 /nfs/dbraw/zinc/69/49/09/950694909.db2.gz YEKVVFXWEFOZAU-IUWMUCMRSA-N 0 1 379.424 1.599 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576215362 950696782 /nfs/dbraw/zinc/69/67/82/950696782.db2.gz AQZWFGHNFGZWIJ-TZMCWYRMSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccncc1Cl ZINC001575926307 950705694 /nfs/dbraw/zinc/70/56/94/950705694.db2.gz JDMRQGXDRNJHCG-HZMBPMFUSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576215919 950718957 /nfs/dbraw/zinc/71/89/57/950718957.db2.gz CFIXPPPQYJCFAF-WDEREUQCSA-N 0 1 392.414 1.020 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573878623 950719576 /nfs/dbraw/zinc/71/95/76/950719576.db2.gz XCVAJJGRHSEWHV-RAIGVLPGSA-N 0 1 378.502 1.177 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573878623 950719596 /nfs/dbraw/zinc/71/95/96/950719596.db2.gz XCVAJJGRHSEWHV-RAIGVLPGSA-N 0 1 378.502 1.177 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)C1 ZINC001575629019 950728752 /nfs/dbraw/zinc/72/87/52/950728752.db2.gz IRNPEXZTKOPZOX-KBPBESRZSA-N 0 1 390.513 1.416 20 0 GDADMN CC(C)CCC(=O)NCC[NH+]1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574180903 950736880 /nfs/dbraw/zinc/73/68/80/950736880.db2.gz ZFNJDFRKQDFISO-UHFFFAOYSA-N 0 1 387.492 1.085 20 0 GDADMN CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)[nH]n1 ZINC001573880120 950740118 /nfs/dbraw/zinc/74/01/18/950740118.db2.gz SNNSMIJIOKIRFW-XYPYZODXSA-N 0 1 381.444 1.077 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cccnc1 ZINC001574522518 950795138 /nfs/dbraw/zinc/79/51/38/950795138.db2.gz JWCCGYUSQPHKLN-STQMWFEESA-N 0 1 385.497 1.939 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cccnc1 ZINC001574522518 950795150 /nfs/dbraw/zinc/79/51/50/950795150.db2.gz JWCCGYUSQPHKLN-STQMWFEESA-N 0 1 385.497 1.939 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575931601 950810257 /nfs/dbraw/zinc/81/02/57/950810257.db2.gz IYWVPIIRNVOGLC-WCBMZHEXSA-N 0 1 392.876 1.949 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]c1 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OBKROIJEEYDSFE-AWEZNQCLSA-N 0 1 390.463 1.399 20 0 GDADMN CC(C)(CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573897819 950965995 /nfs/dbraw/zinc/96/59/95/950965995.db2.gz UAAWKZAOWZMEQA-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccncc2-c2nn[nH]n2)CCO1 ZINC001575938764 950990293 /nfs/dbraw/zinc/99/02/93/950990293.db2.gz NCNDNFYSHKRUIB-ZIAGYGMSSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@H]1CCCCO1 ZINC001574774442 951002442 /nfs/dbraw/zinc/00/24/42/951002442.db2.gz CNLMVFCDILGWAT-DZGCQCFKSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575021089 951061944 /nfs/dbraw/zinc/06/19/44/951061944.db2.gz ATIXDWTXSMDCBF-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](COC)(C(=O)[O-])C1 ZINC001591092155 951063647 /nfs/dbraw/zinc/06/36/47/951063647.db2.gz RGAFWCDIXOXBGP-KZULUSFZSA-N 0 1 398.481 1.983 20 0 GDADMN 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OLZADPBHABSDJO-PWSUYJOCSA-N 0 1 383.246 1.104 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCC[C@@H](c3ncc(Br)cn3)C2)C1=O ZINC001595074221 951627499 /nfs/dbraw/zinc/62/74/99/951627499.db2.gz OLZADPBHABSDJO-PWSUYJOCSA-N 0 1 383.246 1.104 20 0 GDADMN C[C@H](CNC(=O)c1sccc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575070614 951652487 /nfs/dbraw/zinc/65/24/87/951652487.db2.gz SOAVCSLPWWEUBK-SSDOTTSWSA-N 0 1 380.384 1.308 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575089052 951745924 /nfs/dbraw/zinc/74/59/24/951745924.db2.gz CUTBGXKEGOZEJM-KRWDZBQOSA-N 0 1 390.469 1.191 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575089052 951745926 /nfs/dbraw/zinc/74/59/26/951745926.db2.gz CUTBGXKEGOZEJM-KRWDZBQOSA-N 0 1 390.469 1.191 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCc1cn[nH]c1 ZINC001575091036 951767861 /nfs/dbraw/zinc/76/78/61/951767861.db2.gz OYNJUVKNQSRVQU-GFCCVEGCSA-N 0 1 386.435 1.298 20 0 GDADMN 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/nfs/dbraw/zinc/84/64/06/951846406.db2.gz VLDYRCFPZVRNGV-LBPRGKRZSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575134496 952111183 /nfs/dbraw/zinc/11/11/83/952111183.db2.gz INZHLKIWEFVUCJ-MGPUTAFESA-N 0 1 390.451 1.115 20 0 GDADMN C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575141503 952144669 /nfs/dbraw/zinc/14/46/69/952144669.db2.gz HPTOGGAJTJNJPR-KGLIPLIRSA-N 0 1 380.456 1.216 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575143366 952150849 /nfs/dbraw/zinc/15/08/49/952150849.db2.gz PAAWNZWQBYTDRQ-VIFPVBQESA-N 0 1 384.366 1.070 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575144285 952165109 /nfs/dbraw/zinc/16/51/09/952165109.db2.gz HOVBBJWKUNEVOS-IERDGZPVSA-N 0 1 389.463 1.720 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCc2cccnc21 ZINC001575144730 952171117 /nfs/dbraw/zinc/17/11/17/952171117.db2.gz KVCCMNQCQUYASQ-HIFRSBDPSA-N 0 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C[C@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575191164 952467182 /nfs/dbraw/zinc/46/71/82/952467182.db2.gz XMBJSLRWBSRVDR-OLZOCXBDSA-N 0 1 382.428 1.166 20 0 GDADMN C[C@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575191734 952468813 /nfs/dbraw/zinc/46/88/13/952468813.db2.gz YMQCONPIZFVFBE-GFCCVEGCSA-N 0 1 384.419 1.227 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575201782 952506513 /nfs/dbraw/zinc/50/65/13/952506513.db2.gz QKWPWYJANWZMAG-BZPMIXESSA-N 0 1 381.444 1.170 20 0 GDADMN CS[C@H](C)C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571121175 952516396 /nfs/dbraw/zinc/51/63/96/952516396.db2.gz XUOIJSOBBFXXRK-CHWSQXEVSA-N 0 1 375.502 1.606 20 0 GDADMN O=S(=O)(N[C@@H]1CCc2ccc(Cl)cc21)c1cccnc1-c1nn[nH]n1 ZINC001571122759 952526611 /nfs/dbraw/zinc/52/66/11/952526611.db2.gz KAUAQWBXXCMECX-GFCCVEGCSA-N 0 1 376.829 1.881 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571123394 952529066 /nfs/dbraw/zinc/52/90/66/952529066.db2.gz RDCOBGUMYOCLSN-JSGCOSHPSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571123394 952529069 /nfs/dbraw/zinc/52/90/69/952529069.db2.gz RDCOBGUMYOCLSN-JSGCOSHPSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571123394 952529072 /nfs/dbraw/zinc/52/90/72/952529072.db2.gz RDCOBGUMYOCLSN-JSGCOSHPSA-N 0 1 376.486 1.388 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001571123394 952529077 /nfs/dbraw/zinc/52/90/77/952529077.db2.gz RDCOBGUMYOCLSN-JSGCOSHPSA-N 0 1 376.486 1.388 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575207844 952535249 /nfs/dbraw/zinc/53/52/49/952535249.db2.gz TXEYVGWKXVHAFA-RYUDHWBXSA-N 0 1 388.501 1.135 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575207844 952535253 /nfs/dbraw/zinc/53/52/53/952535253.db2.gz TXEYVGWKXVHAFA-RYUDHWBXSA-N 0 1 388.501 1.135 20 0 GDADMN CC(F)(F)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001575211865 952551368 /nfs/dbraw/zinc/55/13/68/952551368.db2.gz BJIPCQSUHHGODK-UBHSHLNASA-N 0 1 376.411 1.991 20 0 GDADMN Cc1ccccc1CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571127264 952552603 /nfs/dbraw/zinc/55/26/03/952552603.db2.gz CLHLVXZLOBIAEK-GDBMZVCRSA-N 0 1 377.452 1.636 20 0 GDADMN Cc1ccc(CC(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571127383 952554311 /nfs/dbraw/zinc/55/43/11/952554311.db2.gz FZAVLGBLJRSEFW-UHFFFAOYSA-N 0 1 377.452 1.541 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571127552 952558654 /nfs/dbraw/zinc/55/86/54/952558654.db2.gz HWVXPFWUZNWDFO-KRWDZBQOSA-N 0 1 377.452 1.883 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001571130933 952582422 /nfs/dbraw/zinc/58/24/22/952582422.db2.gz YWOADHKEGWONOC-SNVBAGLBSA-N 0 1 378.387 1.129 20 0 GDADMN O=C(N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1(C(F)F)CCC1 ZINC001571130759 952582491 /nfs/dbraw/zinc/58/24/91/952582491.db2.gz WUXIKQWEPCFGRS-UHFFFAOYSA-N 0 1 378.387 1.131 20 0 GDADMN Cc1cncc(C(=O)N[C@H]2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001571133992 952584103 /nfs/dbraw/zinc/58/41/03/952584103.db2.gz ATCVQCLUZKLHEY-BBRMVZONSA-N 0 1 378.440 1.398 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571134838 952595993 /nfs/dbraw/zinc/59/59/93/952595993.db2.gz OHMLOELAHYMKDU-SUMWQHHRSA-N 0 1 378.440 1.558 20 0 GDADMN Cc1nnccc1C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571140513 952626509 /nfs/dbraw/zinc/62/65/09/952626509.db2.gz BRVVDQOBUWTSNN-HNNXBMFYSA-N 0 1 378.440 1.360 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571140740 952628316 /nfs/dbraw/zinc/62/83/16/952628316.db2.gz SJZLTZCWOPLNDM-LLVKDONJSA-N 0 1 379.415 1.625 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141995 952638037 /nfs/dbraw/zinc/63/80/37/952638037.db2.gz MWIHJNKOTDVIPZ-GXTWGEPZSA-N 0 1 378.502 1.681 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141995 952638042 /nfs/dbraw/zinc/63/80/42/952638042.db2.gz MWIHJNKOTDVIPZ-GXTWGEPZSA-N 0 1 378.502 1.681 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571142302 952639751 /nfs/dbraw/zinc/63/97/51/952639751.db2.gz OOFMTPORKBMWDZ-TZMCWYRMSA-N 0 1 378.502 1.824 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571142302 952639757 /nfs/dbraw/zinc/63/97/57/952639757.db2.gz OOFMTPORKBMWDZ-TZMCWYRMSA-N 0 1 378.502 1.824 20 0 GDADMN Cc1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4-c4nn[nH]n4)C[C@H]32)no1 ZINC001571142387 952640950 /nfs/dbraw/zinc/64/09/50/952640950.db2.gz SUOVGBVZEJDJGJ-RHSMWYFYSA-N 0 1 379.424 1.510 20 0 GDADMN O=C(c1ncc[nH]1)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571142349 952640971 /nfs/dbraw/zinc/64/09/71/952640971.db2.gz PULOMPHHACFISF-HZPDHXFCSA-N 0 1 378.440 1.326 20 0 GDADMN O=C(c1ccoc1)N1C[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571147803 952664571 /nfs/dbraw/zinc/66/45/71/952664571.db2.gz QKLZPIQDKZEMPP-MAZHCROVSA-N 0 1 379.424 1.629 20 0 GDADMN CC(C)c1occc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571155185 952693537 /nfs/dbraw/zinc/69/35/37/952693537.db2.gz KADRQXIRQGRTJU-IMRBUKKESA-N 0 1 380.412 1.238 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001571155261 952694460 /nfs/dbraw/zinc/69/44/60/952694460.db2.gz MBNNKOAOWCFNSU-UPJWGTAASA-N 0 1 380.412 1.233 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571155257 952695020 /nfs/dbraw/zinc/69/50/20/952695020.db2.gz LYSUWSQLXJKKEC-UHFFFAOYSA-N 0 1 380.403 1.377 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@]3(CCN(C(=O)c4ccn[nH]4)C3)C2)n1 ZINC001571160389 952726084 /nfs/dbraw/zinc/72/60/84/952726084.db2.gz ZWZUSJLPNBVPSW-GOSISDBHSA-N 0 1 379.428 1.036 20 0 GDADMN O=C(NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1conc1C1CC1 ZINC001571160628 952727656 /nfs/dbraw/zinc/72/76/56/952727656.db2.gz KMWCVRMJKZMWGH-UMSPYCQHSA-N 0 1 380.412 1.170 20 0 GDADMN Cn1cccc1C(=O)N1CCCC[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571172829 952809390 /nfs/dbraw/zinc/80/93/90/952809390.db2.gz YMZUDEFWHROAHT-AWEZNQCLSA-N 0 1 380.456 1.519 20 0 GDADMN Cc1ccoc1CC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571180101 952857474 /nfs/dbraw/zinc/85/74/74/952857474.db2.gz LOLPHNXECJWMST-AWEZNQCLSA-N 0 1 381.440 1.751 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)Cc3ccoc3)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180435 952858783 /nfs/dbraw/zinc/85/87/83/952858783.db2.gz OLRYQPGEIDVQLA-HIFRSBDPSA-N 0 1 381.440 1.879 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)Cc3ccco3)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180192 952859615 /nfs/dbraw/zinc/85/96/15/952859615.db2.gz MJSCNZKTNIUPFN-KGLIPLIRSA-N 0 1 381.440 1.879 20 0 GDADMN Cc1ccoc1CC(=O)N1CCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001571181376 952862702 /nfs/dbraw/zinc/86/27/02/952862702.db2.gz VMZPXIYDFOEDOO-CQSZACIVSA-N 0 1 381.440 1.833 20 0 GDADMN O=C(Cc1ncccc1F)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571182723 952868229 /nfs/dbraw/zinc/86/82/29/952868229.db2.gz CSFPGIPITCTWPY-HNNXBMFYSA-N 0 1 381.415 1.334 20 0 GDADMN CCc1ncoc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C ZINC001571183218 952875410 /nfs/dbraw/zinc/87/54/10/952875410.db2.gz SUAGBZGBDNMXKX-WBMJQRKESA-N 0 1 381.440 1.810 20 0 GDADMN O=C(NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1)c1cccnc1 ZINC001571183348 952876115 /nfs/dbraw/zinc/87/61/15/952876115.db2.gz YAXVFFKAYSSROM-UHFFFAOYSA-N 0 1 381.415 1.795 20 0 GDADMN CCCc1[nH]ccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571184090 952888078 /nfs/dbraw/zinc/88/80/78/952888078.db2.gz QCSWVZKUHKKZMQ-WCQYABFASA-N 0 1 381.444 1.074 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571185754 952903578 /nfs/dbraw/zinc/90/35/78/952903578.db2.gz PDZOZIYPSIISOD-ZDUSSCGKSA-N 0 1 381.444 1.282 20 0 GDADMN Cc1cc(C(=O)N2CCC(C)(Nc3ccc(-c4nn[nH]n4)c(C)n3)CC2)n[nH]1 ZINC001571187998 952911662 /nfs/dbraw/zinc/91/16/62/952911662.db2.gz FMLMMHUXEAZGDT-UHFFFAOYSA-N 0 1 381.444 1.708 20 0 GDADMN Cc1nc(N[C@@H](C)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189001 952922617 /nfs/dbraw/zinc/92/26/17/952922617.db2.gz LTTTWOBCOVGNIC-AAEUAGOBSA-N 0 1 381.444 1.646 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H](C)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC001571189602 952932566 /nfs/dbraw/zinc/93/25/66/952932566.db2.gz YEOYVVMDEQNWQT-CHWSQXEVSA-N 0 1 381.444 1.646 20 0 GDADMN O=C(C1=COCCC1)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571190273 952941099 /nfs/dbraw/zinc/94/10/99/952941099.db2.gz GLIRCJMOUBBUPS-UHFFFAOYSA-N 0 1 381.849 1.320 20 0 GDADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571192206 952948418 /nfs/dbraw/zinc/94/84/18/952948418.db2.gz UQOAIWVKHOHRIB-CAOSSQGBSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001571196020 952979048 /nfs/dbraw/zinc/97/90/48/952979048.db2.gz GPIATAOKLQJIQD-NWDGAFQWSA-N 0 1 382.403 1.180 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001571196021 952979305 /nfs/dbraw/zinc/97/93/05/952979305.db2.gz GPIATAOKLQJIQD-RYUDHWBXSA-N 0 1 382.403 1.180 20 0 GDADMN CCc1ccc(F)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571196406 952981809 /nfs/dbraw/zinc/98/18/09/952981809.db2.gz KJDJDYNISFQZMK-ZDUSSCGKSA-N 0 1 382.403 1.367 20 0 GDADMN CCc1nc(C(=O)N2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)co1 ZINC001571199633 953003434 /nfs/dbraw/zinc/00/34/34/953003434.db2.gz XBZYULMMIXJWHB-NEPJUHHUSA-N 0 1 382.428 1.258 20 0 GDADMN CCc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571199702 953003936 /nfs/dbraw/zinc/00/39/36/953003936.db2.gz ZRSVZFKKBQZBKD-RYUDHWBXSA-N 0 1 382.428 1.054 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)on1 ZINC001571201638 953020083 /nfs/dbraw/zinc/02/00/83/953020083.db2.gz MAWXZLLATHIEBV-TZMCWYRMSA-N 0 1 382.428 1.381 20 0 GDADMN Cc1cnoc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571202405 953023976 /nfs/dbraw/zinc/02/39/76/953023976.db2.gz ULTKVMFPBVOYHR-QWHCGFSZSA-N 0 1 382.428 1.654 20 0 GDADMN O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001571202439 953025302 /nfs/dbraw/zinc/02/53/02/953025302.db2.gz WXRFURBQUZCJJW-RYUDHWBXSA-N 0 1 382.403 1.371 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@@H](N(C)c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571202736 953027882 /nfs/dbraw/zinc/02/78/82/953027882.db2.gz XPHZWLDNMQCMKJ-CYBMUJFWSA-N 0 1 382.428 1.526 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@@H]2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571206504 953051833 /nfs/dbraw/zinc/05/18/33/953051833.db2.gz QIMXBURERGAPSB-CHWSQXEVSA-N 0 1 382.428 1.299 20 0 GDADMN Cc1noc(C)c1C(=O)N1CC[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571207076 953059047 /nfs/dbraw/zinc/05/90/47/953059047.db2.gz VRYRDHSNBFGOSF-MFKMUULPSA-N 0 1 382.428 1.251 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1ccns1 ZINC001571210635 953072635 /nfs/dbraw/zinc/07/26/35/953072635.db2.gz VCXDYUQRBBQSKK-KBPBESRZSA-N 0 1 382.453 1.293 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571210578 953073087 /nfs/dbraw/zinc/07/30/87/953073087.db2.gz SVTRVDSTTRGNDF-BXKDBHETSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571210578 953073090 /nfs/dbraw/zinc/07/30/90/953073090.db2.gz SVTRVDSTTRGNDF-BXKDBHETSA-N 0 1 382.440 1.910 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571210785 953073698 /nfs/dbraw/zinc/07/36/98/953073698.db2.gz XEBQLAUPWSJYIS-HLIPFELVSA-N 0 1 382.468 1.516 20 0 GDADMN O=C(C[C@@H]1CCOC1)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571210896 953075191 /nfs/dbraw/zinc/07/51/91/953075191.db2.gz ZPVXZXOPAIHVMV-RYQLBKOJSA-N 0 1 382.468 1.469 20 0 GDADMN Cc1nc(NC[C@H]2CCCC[C@H]2NC(=O)c2ncn[nH]2)ccc1-c1nn[nH]n1 ZINC001571214142 953099770 /nfs/dbraw/zinc/09/97/70/953099770.db2.gz YNYGFYXHBTVRKS-DGCLKSJQSA-N 0 1 382.432 1.089 20 0 GDADMN Cc1nc(NC[C@H]2CCCC[C@H]2NC(=O)c2nc[nH]n2)ccc1-c1nn[nH]n1 ZINC001571214142 953099774 /nfs/dbraw/zinc/09/97/74/953099774.db2.gz YNYGFYXHBTVRKS-DGCLKSJQSA-N 0 1 382.432 1.089 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001571217840 953110973 /nfs/dbraw/zinc/11/09/73/953110973.db2.gz QBMINDMZZAWHDF-GHMZBOCLSA-N 0 1 383.378 1.533 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001571217841 953111032 /nfs/dbraw/zinc/11/10/32/953111032.db2.gz QBMINDMZZAWHDF-MNOVXSKESA-N 0 1 383.378 1.533 20 0 GDADMN O=C(c1cc(F)c[nH]1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571218857 953119855 /nfs/dbraw/zinc/11/98/55/953119855.db2.gz FOOSXJSYOQBIIV-NEPJUHHUSA-N 0 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20 0 GDADMN CC(C)(C)c1nc([C@@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000819966251 606904446 /nfs/dbraw/zinc/90/44/46/606904446.db2.gz ZHGNKZMBLMUKTG-GJZGRUSLSA-N 0 1 398.471 1.389 20 0 GDADMN CC(C)(C)c1nnc([C@@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000819966251 606904448 /nfs/dbraw/zinc/90/44/48/606904448.db2.gz ZHGNKZMBLMUKTG-GJZGRUSLSA-N 0 1 398.471 1.389 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@@H](Oc2ccccn2)C1 ZINC000821702446 606914709 /nfs/dbraw/zinc/91/47/09/606914709.db2.gz TWMCCUHMGCGBEC-OAHLLOKOSA-N 0 1 382.424 1.802 20 0 GDADMN CCO[C@@H]1C[C@H](N(C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821357757 606917323 /nfs/dbraw/zinc/91/73/23/606917323.db2.gz FLTUGNHFOUVEFL-DLBZAZTESA-N 0 1 384.484 1.762 20 0 GDADMN CC[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1)[NH+](C)C ZINC000820843408 606969273 /nfs/dbraw/zinc/96/92/73/606969273.db2.gz YHJVFZVTRYZYJA-HNNXBMFYSA-N 0 1 397.487 1.024 20 0 GDADMN O[C@@H](CN1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1ccccc1 ZINC000823683304 607064493 /nfs/dbraw/zinc/06/44/93/607064493.db2.gz ZNAJKJXJJYIHOA-IBGZPJMESA-N 0 1 382.443 1.857 20 0 GDADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000823313500 607202983 /nfs/dbraw/zinc/20/29/83/607202983.db2.gz CQUYHSIODIBKJO-LSDHHAIUSA-N 0 1 391.863 1.583 20 0 GDADMN Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OCC(F)(F)F)c1 ZINC000822248788 607210719 /nfs/dbraw/zinc/21/07/19/607210719.db2.gz NWILCBUFNSBYQY-UHFFFAOYSA-N 0 1 382.306 1.346 20 0 GDADMN COc1ccc(-c2csc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)cc1 ZINC000821733083 607221408 /nfs/dbraw/zinc/22/14/08/607221408.db2.gz ZVAARUHJVHKQCE-UHFFFAOYSA-N 0 1 396.436 1.512 20 0 GDADMN C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821623523 607230612 /nfs/dbraw/zinc/23/06/12/607230612.db2.gz MOJZWOJSMRHKTL-DGCLKSJQSA-N 0 1 396.904 1.625 20 0 GDADMN C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821623523 607230613 /nfs/dbraw/zinc/23/06/13/607230613.db2.gz MOJZWOJSMRHKTL-DGCLKSJQSA-N 0 1 396.904 1.625 20 0 GDADMN NS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000822895165 607236600 /nfs/dbraw/zinc/23/66/00/607236600.db2.gz MJSQFGALEDWCML-HNNXBMFYSA-N 0 1 384.465 1.397 20 0 GDADMN C[C@H]1C[C@H](N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCN1C ZINC000824885394 607828663 /nfs/dbraw/zinc/82/86/63/607828663.db2.gz SNXIYPWCBSVMFX-DZGCQCFKSA-N 0 1 378.502 1.055 20 0 GDADMN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000826396091 607846572 /nfs/dbraw/zinc/84/65/72/607846572.db2.gz GSKFMGXZLLWQSR-UHFFFAOYSA-N 0 1 386.224 1.952 20 0 GDADMN O=C(CSc1n[nH]c(=S)s1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826421579 607954289 /nfs/dbraw/zinc/95/42/89/607954289.db2.gz OKELFAXYAOHSPM-UHFFFAOYSA-N 0 1 377.480 1.688 20 0 GDADMN O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488920 607971580 /nfs/dbraw/zinc/97/15/80/607971580.db2.gz CLXVVAPGZBUWGU-KGLIPLIRSA-N 0 1 393.375 1.082 20 0 GDADMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1ccccc1 ZINC000826028811 607982777 /nfs/dbraw/zinc/98/27/77/607982777.db2.gz IHSGOIUUGLUMNE-IAGOWNOFSA-N 0 1 391.435 1.367 20 0 GDADMN CN1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@H]1c1ccccc1 ZINC000826028495 607982902 /nfs/dbraw/zinc/98/29/02/607982902.db2.gz BJLPTBXXWDMPSP-DLBZAZTESA-N 0 1 391.435 1.367 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000826077630 608019579 /nfs/dbraw/zinc/01/95/79/608019579.db2.gz ORASVNSMCGBCPA-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000826077630 608019580 /nfs/dbraw/zinc/01/95/80/608019580.db2.gz ORASVNSMCGBCPA-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1-c1nnn[n-]1 ZINC000826084270 608020703 /nfs/dbraw/zinc/02/07/03/608020703.db2.gz XJYQTYXSPNGCRF-UHFFFAOYSA-N 0 1 391.439 1.989 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1-c1nn[n-]n1 ZINC000826084270 608020704 /nfs/dbraw/zinc/02/07/04/608020704.db2.gz XJYQTYXSPNGCRF-UHFFFAOYSA-N 0 1 391.439 1.989 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1-c1nnn[n-]1 ZINC000826084256 608021696 /nfs/dbraw/zinc/02/16/96/608021696.db2.gz WQABRJSWDIXYNM-UHFFFAOYSA-N 0 1 379.428 1.784 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccc(C)cc3[nH]2)c1-c1nn[n-]n1 ZINC000826084256 608021697 /nfs/dbraw/zinc/02/16/97/608021697.db2.gz WQABRJSWDIXYNM-UHFFFAOYSA-N 0 1 379.428 1.784 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826077376 608022055 /nfs/dbraw/zinc/02/20/55/608022055.db2.gz GIPXIDNTIFKAGV-PKNBQFBNSA-N 0 1 384.419 1.923 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C=C(C)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826077376 608022056 /nfs/dbraw/zinc/02/20/56/608022056.db2.gz GIPXIDNTIFKAGV-PKNBQFBNSA-N 0 1 384.419 1.923 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(-c2ccccc2)no1 ZINC000825935272 608035721 /nfs/dbraw/zinc/03/57/21/608035721.db2.gz YJKKFUDVSDCEEU-UHFFFAOYSA-N 0 1 379.428 1.892 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(-c2ccccc2)no1 ZINC000825935272 608035722 /nfs/dbraw/zinc/03/57/22/608035722.db2.gz YJKKFUDVSDCEEU-UHFFFAOYSA-N 0 1 379.428 1.892 20 0 GDADMN C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCN(C)[C@H](C)C1 ZINC000824978942 608041942 /nfs/dbraw/zinc/04/19/42/608041942.db2.gz YNZCCUFPZRYBQK-MNOVXSKESA-N 0 1 375.502 1.380 20 0 GDADMN O=C(CCN1CCOC[C@@H]1C1CC1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826407266 608045982 /nfs/dbraw/zinc/04/59/82/608045982.db2.gz HGIAFBPSANBDPR-OAHLLOKOSA-N 0 1 376.848 1.960 20 0 GDADMN O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429972 608134975 /nfs/dbraw/zinc/13/49/75/608134975.db2.gz QUEYCMIFEVXXDD-OKZBNKHCSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429972 608134976 /nfs/dbraw/zinc/13/49/76/608134976.db2.gz QUEYCMIFEVXXDD-OKZBNKHCSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429972 608134977 /nfs/dbraw/zinc/13/49/77/608134977.db2.gz QUEYCMIFEVXXDD-OKZBNKHCSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429972 608134978 /nfs/dbraw/zinc/13/49/78/608134978.db2.gz QUEYCMIFEVXXDD-OKZBNKHCSA-N 0 1 389.463 1.902 20 0 GDADMN C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824994192 608151216 /nfs/dbraw/zinc/15/12/16/608151216.db2.gz UCCQYMSJSXXYOK-KXBFYZLASA-N 0 1 392.511 1.877 20 0 GDADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824359243 608203871 /nfs/dbraw/zinc/20/38/71/608203871.db2.gz UMUKBUCFOBTBHV-DOMZBBRYSA-N 0 1 395.471 1.954 20 0 GDADMN CN(CC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCSC1 ZINC000825892054 608209465 /nfs/dbraw/zinc/20/94/65/608209465.db2.gz DIPQVUYZCSSFMI-HOTGVXAUSA-N 0 1 388.497 1.204 20 0 GDADMN O=C(Nc1ccon1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826458827 608212575 /nfs/dbraw/zinc/21/25/75/608212575.db2.gz HRZDUQGCTURIHP-UHFFFAOYSA-N 0 1 396.367 1.958 20 0 GDADMN CCC(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000825027987 608213972 /nfs/dbraw/zinc/21/39/72/608213972.db2.gz BJDUXXCAPQVGHU-UHFFFAOYSA-N 0 1 399.411 1.426 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc1-c1nn[nH]n1 ZINC000826229960 608280344 /nfs/dbraw/zinc/28/03/44/608280344.db2.gz XXGHIFOKDZMMPZ-SKDRFNHKSA-N 0 1 378.458 1.623 20 0 GDADMN CCC[C@H]1CN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825252525 608313592 /nfs/dbraw/zinc/31/35/92/608313592.db2.gz IPYZBZSQQRSXAX-SFHVURJKSA-N 0 1 386.500 1.759 20 0 GDADMN C1CC1c1nc(-c2nn[nH]n2)c(N2CCN(c3nnc(C4CC4)s3)CC2)o1 ZINC000823873220 608365247 /nfs/dbraw/zinc/36/52/47/608365247.db2.gz KBGCJRQLLGSEMK-UHFFFAOYSA-N 0 1 385.457 1.788 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000826170347 608367787 /nfs/dbraw/zinc/36/77/87/608367787.db2.gz XFOCDHMLINRJDG-OAHLLOKOSA-N 0 1 398.471 1.864 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000826170347 608367789 /nfs/dbraw/zinc/36/77/89/608367789.db2.gz XFOCDHMLINRJDG-OAHLLOKOSA-N 0 1 398.471 1.864 20 0 GDADMN Cc1nc(CN2CCC[C@H](N(C)Cc3cccc(-c4nn[nH]n4)c3F)C2)no1 ZINC000826326032 608392248 /nfs/dbraw/zinc/39/22/48/608392248.db2.gz WIEDRURHIXPFBX-AWEZNQCLSA-N 0 1 386.435 1.794 20 0 GDADMN CC[NH+](CC)CCOc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000825412553 608401656 /nfs/dbraw/zinc/40/16/56/608401656.db2.gz RJJLWUKBHVTPDR-UHFFFAOYSA-N 0 1 398.471 1.998 20 0 GDADMN CC[NH+](CC)CCOc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000825412553 608401657 /nfs/dbraw/zinc/40/16/57/608401657.db2.gz RJJLWUKBHVTPDR-UHFFFAOYSA-N 0 1 398.471 1.998 20 0 GDADMN CCN1CCN(CC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000825460267 608484883 /nfs/dbraw/zinc/48/48/83/608484883.db2.gz SKZJCVPSRAYBGF-UHFFFAOYSA-N 0 1 381.484 1.120 20 0 GDADMN 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945647848 /nfs/dbraw/zinc/64/78/48/945647848.db2.gz HLFSATVZKTYTCC-UHFFFAOYSA-N 0 1 386.485 1.791 20 0 GDADMN Cc1cc(C(=O)NC2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)[nH]n1 ZINC001571271696 945647851 /nfs/dbraw/zinc/64/78/51/945647851.db2.gz HLFSATVZKTYTCC-UHFFFAOYSA-N 0 1 386.485 1.791 20 0 GDADMN Cc1ccnn1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571271663 945648526 /nfs/dbraw/zinc/64/85/26/945648526.db2.gz GVIJHWXMRFOEHO-CYBMUJFWSA-N 0 1 386.485 1.214 20 0 GDADMN Cc1ccnn1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571271663 945648537 /nfs/dbraw/zinc/64/85/37/945648537.db2.gz GVIJHWXMRFOEHO-CYBMUJFWSA-N 0 1 386.485 1.214 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n(C)n1 ZINC001571271666 945648974 /nfs/dbraw/zinc/64/89/74/945648974.db2.gz GXLDYLLNCOBSRB-ZWNOBZJWSA-N 0 1 386.485 1.220 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n(C)n1 ZINC001571271666 945648982 /nfs/dbraw/zinc/64/89/82/945648982.db2.gz GXLDYLLNCOBSRB-ZWNOBZJWSA-N 0 1 386.485 1.220 20 0 GDADMN Cc1cc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)sn1 ZINC001571271790 945649615 /nfs/dbraw/zinc/64/96/15/945649615.db2.gz JSVBNLFPFGCPTR-NEPJUHHUSA-N 0 1 386.485 1.743 20 0 GDADMN Cn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001571271812 945649973 /nfs/dbraw/zinc/64/99/73/945649973.db2.gz KKRIMUPBUPJEOB-GFCCVEGCSA-N 0 1 386.485 1.304 20 0 GDADMN Cn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001571271812 945649978 /nfs/dbraw/zinc/64/99/78/945649978.db2.gz KKRIMUPBUPJEOB-GFCCVEGCSA-N 0 1 386.485 1.304 20 0 GDADMN Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C(C)(C)C2)n1 ZINC001571271751 945650295 /nfs/dbraw/zinc/65/02/95/945650295.db2.gz ITJXRNXRUFLOLZ-CYBMUJFWSA-N 0 1 386.485 1.600 20 0 GDADMN Cc1c[nH]c(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C(C)(C)C2)n1 ZINC001571271751 945650298 /nfs/dbraw/zinc/65/02/98/945650298.db2.gz ITJXRNXRUFLOLZ-CYBMUJFWSA-N 0 1 386.485 1.600 20 0 GDADMN CCc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]n1 ZINC001571271830 945651849 /nfs/dbraw/zinc/65/18/49/945651849.db2.gz KRUAIRQXKADSML-LLVKDONJSA-N 0 1 386.485 1.466 20 0 GDADMN CCc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]n1 ZINC001571271830 945651853 /nfs/dbraw/zinc/65/18/53/945651853.db2.gz KRUAIRQXKADSML-LLVKDONJSA-N 0 1 386.485 1.466 20 0 GDADMN CCc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)[nH]n1 ZINC001571271830 945651859 /nfs/dbraw/zinc/65/18/59/945651859.db2.gz KRUAIRQXKADSML-LLVKDONJSA-N 0 1 386.485 1.466 20 0 GDADMN CCc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)[nH]n1 ZINC001571271830 945651865 /nfs/dbraw/zinc/65/18/65/945651865.db2.gz KRUAIRQXKADSML-LLVKDONJSA-N 0 1 386.485 1.466 20 0 GDADMN CCn1ccnc1C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271860 945652986 /nfs/dbraw/zinc/65/29/86/945652986.db2.gz LCCFIAQCSWCNCE-GFCCVEGCSA-N 0 1 386.485 1.491 20 0 GDADMN Cc1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1C ZINC001571272481 945664247 /nfs/dbraw/zinc/66/42/47/945664247.db2.gz UGSLUJOGSWSUOI-LBPRGKRZSA-N 0 1 386.485 1.222 20 0 GDADMN Cc1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1C ZINC001571272481 945664253 /nfs/dbraw/zinc/66/42/53/945664253.db2.gz UGSLUJOGSWSUOI-LBPRGKRZSA-N 0 1 386.485 1.222 20 0 GDADMN COC(=O)/C(C)=C\CN1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821639135 945765936 /nfs/dbraw/zinc/76/59/36/945765936.db2.gz QJWNZPUOPDYMAA-MLPAPPSSSA-N 0 1 384.440 1.637 20 0 GDADMN O=C(CN1CCCC1)N[C@H]1CCC[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571281400 945803621 /nfs/dbraw/zinc/80/36/21/945803621.db2.gz HYKBRKLOMYJFAC-KBPBESRZSA-N 0 1 387.463 1.941 20 0 GDADMN Cc1ncc(C(=O)N2CCC[C@@H]2CN(C)c2snc(C)c2-c2nn[nH]n2)[nH]1 ZINC001571281754 945813445 /nfs/dbraw/zinc/81/34/45/945813445.db2.gz NESVTUFKIRVLSP-LLVKDONJSA-N 0 1 387.473 1.404 20 0 GDADMN Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282373 945842854 /nfs/dbraw/zinc/84/28/54/945842854.db2.gz WNJNFWOHLRDDQY-QWRGUYRKSA-N 0 1 387.473 1.186 20 0 GDADMN Cc1nn[nH]c1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282373 945842860 /nfs/dbraw/zinc/84/28/60/945842860.db2.gz WNJNFWOHLRDDQY-QWRGUYRKSA-N 0 1 387.473 1.186 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@H]1Cc2ccccc21 ZINC001571282978 945869190 /nfs/dbraw/zinc/86/91/90/945869190.db2.gz XGERWXDAFSNQQX-AHCXZYCDSA-N 0 1 387.447 1.400 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@H](NCc2cc(O)ccc2Cl)C1 ZINC001571283700 945889524 /nfs/dbraw/zinc/88/95/24/945889524.db2.gz HEAUDYCBLINETF-LBPRGKRZSA-N 0 1 387.831 1.558 20 0 GDADMN O=C(C[C@@H]1CCOC1)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571287389 945970652 /nfs/dbraw/zinc/97/06/52/945970652.db2.gz CODSFNJOOBRUMA-ZDUSSCGKSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@H]1CO[C@@H](C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001571288933 945995638 /nfs/dbraw/zinc/99/56/38/945995638.db2.gz USRKAPUFMMWUAT-SJKOYZFVSA-N 0 1 388.447 1.511 20 0 GDADMN Cc1nonc1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289518 946009282 /nfs/dbraw/zinc/00/92/82/946009282.db2.gz GPDKAYREWMXSDB-QWRGUYRKSA-N 0 1 388.457 1.450 20 0 GDADMN Cc1nonc1C(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289518 946009292 /nfs/dbraw/zinc/00/92/92/946009292.db2.gz GPDKAYREWMXSDB-QWRGUYRKSA-N 0 1 388.457 1.450 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571289501 946009605 /nfs/dbraw/zinc/00/96/05/946009605.db2.gz GCDLDIPXFPAVDY-KFWWJZLASA-N 0 1 388.497 1.673 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571289501 946009612 /nfs/dbraw/zinc/00/96/12/946009612.db2.gz GCDLDIPXFPAVDY-KFWWJZLASA-N 0 1 388.497 1.673 20 0 GDADMN O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290545 946049160 /nfs/dbraw/zinc/04/91/60/946049160.db2.gz IKVSDDFTOMPLBC-ZJUUUORDSA-N 0 1 388.819 1.478 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1NC(=O)c1ccc(Cl)o1 ZINC001571290847 946055532 /nfs/dbraw/zinc/05/55/32/946055532.db2.gz QTEMGRNYFGOTNE-JTQLQIEISA-N 0 1 388.819 1.548 20 0 GDADMN Cc1nnc(N2CCO[C@H](c3n[nH]c(C(C)(C)C)n3)C2)c(-c2nn[nH]n2)c1C ZINC000822509860 946107641 /nfs/dbraw/zinc/10/76/41/946107641.db2.gz FLAIQMANGZEDIJ-NSHDSACASA-N 0 1 384.448 1.267 20 0 GDADMN Cc1nnc(N2CCO[C@H](c3nnc(C(C)(C)C)[nH]3)C2)c(-c2nn[nH]n2)c1C ZINC000822509860 946107649 /nfs/dbraw/zinc/10/76/49/946107649.db2.gz FLAIQMANGZEDIJ-NSHDSACASA-N 0 1 384.448 1.267 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571294281 946129308 /nfs/dbraw/zinc/12/93/08/946129308.db2.gz CPTGZRBGDZXBNE-GBESFXJTSA-N 0 1 389.463 1.756 20 0 GDADMN CCNS(=O)(=O)c1cccc(CNCc2cccc(F)c2-c2nn[nH]n2)c1 ZINC001571296161 946188127 /nfs/dbraw/zinc/18/81/27/946188127.db2.gz PHUIBRWMDHZNKH-UHFFFAOYSA-N 0 1 390.444 1.594 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc(C)[nH+]cc2-c2nnn[n-]2)cn1 ZINC001571298396 946216883 /nfs/dbraw/zinc/21/68/83/946216883.db2.gz GCHXWRLPCWRCRP-IYBDPMFKSA-N 0 1 390.451 1.767 20 0 GDADMN CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298520 946218965 /nfs/dbraw/zinc/21/89/65/946218965.db2.gz ABUJFRNBHBHFCI-OLZOCXBDSA-N 0 1 390.517 1.201 20 0 GDADMN CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298520 946218975 /nfs/dbraw/zinc/21/89/75/946218975.db2.gz ABUJFRNBHBHFCI-OLZOCXBDSA-N 0 1 390.517 1.201 20 0 GDADMN CN(C(=O)c1sccc1Cl)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571298570 946220630 /nfs/dbraw/zinc/22/06/30/946220630.db2.gz BCWSDOJZFDSALY-SECBINFHSA-N 0 1 390.860 1.723 20 0 GDADMN CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298847 946229688 /nfs/dbraw/zinc/22/96/88/946229688.db2.gz FHKLSRCYZYFUOJ-CHWSQXEVSA-N 0 1 390.517 1.153 20 0 GDADMN CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571298847 946229695 /nfs/dbraw/zinc/22/96/95/946229695.db2.gz FHKLSRCYZYFUOJ-CHWSQXEVSA-N 0 1 390.517 1.153 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000325428347 971214690 /nfs/dbraw/zinc/21/46/90/971214690.db2.gz YUPMEIQSDXDCEF-ONGXEEELSA-N 0 1 376.862 1.808 20 0 GDADMN C[C@H]1CO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001571299334 946245112 /nfs/dbraw/zinc/24/51/12/946245112.db2.gz KZGODLZQIRICFE-BHPKHCPMSA-N 0 1 390.513 1.870 20 0 GDADMN C[C@H]1CO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)C1 ZINC001571299334 946245124 /nfs/dbraw/zinc/24/51/24/946245124.db2.gz KZGODLZQIRICFE-BHPKHCPMSA-N 0 1 390.513 1.870 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3ccnc(C4CC4)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299769 946262341 /nfs/dbraw/zinc/26/23/41/946262341.db2.gz UIBXRKBPAHZRDR-OAHLLOKOSA-N 0 1 390.451 1.851 20 0 GDADMN C[C@@](O)(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571300103 946272245 /nfs/dbraw/zinc/27/22/45/946272245.db2.gz UXSUZGSLKFNGGE-KZULUSFZSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@](O)(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571300103 946272254 /nfs/dbraw/zinc/27/22/54/946272254.db2.gz UXSUZGSLKFNGGE-KZULUSFZSA-N 0 1 390.513 1.417 20 0 GDADMN Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571300146 946276425 /nfs/dbraw/zinc/27/64/25/946276425.db2.gz ZUMDGFKLACNAED-GASCZTMLSA-N 0 1 390.451 1.767 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(Cl)s1 ZINC001571300287 946277470 /nfs/dbraw/zinc/27/74/70/946277470.db2.gz YVFWAGMVAQGZKM-RKDXNWHRSA-N 0 1 390.860 1.509 20 0 GDADMN CO[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300327 946280553 /nfs/dbraw/zinc/28/05/53/946280553.db2.gz ZUCKMDLHLBHOQT-CABCVRRESA-N 0 1 390.513 1.824 20 0 GDADMN O=C(c1cccnn1)N1CC[C@@]2(C1)CCCN(c1ccncc1-c1nn[nH]n1)C2 ZINC001571303291 946331527 /nfs/dbraw/zinc/33/15/27/946331527.db2.gz OAXWJXOVYLWLOO-IBGZPJMESA-N 0 1 391.439 1.184 20 0 GDADMN O=C([C@@H]1Cc2ccccc2O1)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571303588 946342255 /nfs/dbraw/zinc/34/22/55/946342255.db2.gz NVKJWLVQDCRNBP-SFHVURJKSA-N 0 1 391.435 1.090 20 0 GDADMN COc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001571304063 946358504 /nfs/dbraw/zinc/35/85/04/946358504.db2.gz XBBYYYNIVLVCRY-QWHZDKJVSA-N 0 1 391.435 1.064 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)c2ncc(Cl)s2)C1 ZINC001571305550 946368207 /nfs/dbraw/zinc/36/82/07/946368207.db2.gz DZEYZIRRWWBCJU-QMMMGPOBSA-N 0 1 391.848 1.118 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571307546 946423051 /nfs/dbraw/zinc/42/30/51/946423051.db2.gz DPCWWZKNJUCWFC-MNOVXSKESA-N 0 1 392.414 1.163 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1coc(C2CC2)n1 ZINC001571309828 946456021 /nfs/dbraw/zinc/45/60/21/946456021.db2.gz MAQVVUIVYBBYOX-DEZZGGKRSA-N 0 1 392.423 1.239 20 0 GDADMN CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571310399 946470864 /nfs/dbraw/zinc/47/08/64/946470864.db2.gz FANRYLIZGYOLBD-ZDUSSCGKSA-N 0 1 392.467 1.963 20 0 GDADMN CC(=O)NCc1ccc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC001571311469 946487919 /nfs/dbraw/zinc/48/79/19/946487919.db2.gz YHJHMPLRKSXOPF-UHFFFAOYSA-N 0 1 392.467 1.220 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3ccc(C)c(C)n3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314723 946543335 /nfs/dbraw/zinc/54/33/35/946543335.db2.gz BGGKFPLKLFUKRF-ZBFHGGJFSA-N 0 1 392.467 1.979 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccncc3-c3nn[nH]n3)C2)nc1C ZINC001571315584 946555535 /nfs/dbraw/zinc/55/55/35/946555535.db2.gz LXBBENBOCXUKRS-CABCVRRESA-N 0 1 392.467 1.658 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)nn1 ZINC001571316068 946562996 /nfs/dbraw/zinc/56/29/96/946562996.db2.gz SYADUNMUVUKQQI-WMLDXEAASA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]cc1-c1nnn[n-]1)C2 ZINC001571316270 946570834 /nfs/dbraw/zinc/57/08/34/946570834.db2.gz YAMPWNFQZRCKSS-XOBRGWDASA-N 0 1 392.467 1.996 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571316654 946584573 /nfs/dbraw/zinc/58/45/73/946584573.db2.gz JGKIVZDJQOWEDH-CVEARBPZSA-N 0 1 392.467 1.484 20 0 GDADMN O=C(CC1OCCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571317671 946616904 /nfs/dbraw/zinc/61/69/04/946616904.db2.gz QKMVYAKICFQNED-GFCCVEGCSA-N 0 1 392.485 1.162 20 0 GDADMN O=C(CC1OCCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571317671 946616908 /nfs/dbraw/zinc/61/69/08/946616908.db2.gz QKMVYAKICFQNED-GFCCVEGCSA-N 0 1 392.485 1.162 20 0 GDADMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000824414328 946701172 /nfs/dbraw/zinc/70/11/72/946701172.db2.gz ZJTQJSXSLVSTPD-CQSZACIVSA-N 0 1 386.481 1.666 20 0 GDADMN CC(=O)Nc1ccc(CCNS(=O)(=O)c2ccsc2-c2nn[nH]n2)cc1 ZINC001573547890 946842292 /nfs/dbraw/zinc/84/22/92/946842292.db2.gz XPNSGDULRVBSPD-UHFFFAOYSA-N 0 1 392.466 1.408 20 0 GDADMN C[C@H]1COc2ccccc2CN1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825006917 947039726 /nfs/dbraw/zinc/03/97/26/947039726.db2.gz SNDISLQVWQKINI-WMLDXEAASA-N 0 1 381.436 1.890 20 0 GDADMN C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573586585 947292019 /nfs/dbraw/zinc/29/20/19/947292019.db2.gz REXXXMZNCJTFGO-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573586585 947292025 /nfs/dbraw/zinc/29/20/25/947292025.db2.gz REXXXMZNCJTFGO-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN C=C/C(C)=C/CC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O ZINC001573318890 947317372 /nfs/dbraw/zinc/31/73/72/947317372.db2.gz SYXBQJSOPXTARQ-PSVJHUJZSA-N 0 1 395.876 1.165 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001573594829 947407832 /nfs/dbraw/zinc/40/78/32/947407832.db2.gz CTDCGPPQBRGCAY-NEPJUHHUSA-N 0 1 390.469 1.234 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001573594829 947407838 /nfs/dbraw/zinc/40/78/38/947407838.db2.gz CTDCGPPQBRGCAY-NEPJUHHUSA-N 0 1 390.469 1.234 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC000826077774 947424097 /nfs/dbraw/zinc/42/40/97/947424097.db2.gz VJWUVKXBNJBSNU-UHFFFAOYSA-N 0 1 393.455 1.794 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC000826077774 947424108 /nfs/dbraw/zinc/42/41/08/947424108.db2.gz VJWUVKXBNJBSNU-UHFFFAOYSA-N 0 1 393.455 1.794 20 0 GDADMN C[C@H](C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573595695 947424911 /nfs/dbraw/zinc/42/49/11/947424911.db2.gz ZSLQHGSKPFEITG-UNXYVOJBSA-N 0 1 384.469 1.345 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001573604476 947510732 /nfs/dbraw/zinc/51/07/32/947510732.db2.gz UWIMCOATJSSRDU-ZDUSSCGKSA-N 0 1 386.435 1.354 20 0 GDADMN C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1cccc(Cl)c1 ZINC001573605759 947533522 /nfs/dbraw/zinc/53/35/22/947533522.db2.gz ZISRTNMCAZTWEZ-LLVKDONJSA-N 0 1 386.847 1.406 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573616185 947619849 /nfs/dbraw/zinc/61/98/49/947619849.db2.gz VRDDMQJXEDHDOH-GARJFASQSA-N 0 1 378.387 1.128 20 0 GDADMN Cc1c(Cl)cnc(NC2CCN(CC(=O)N(C)C)CC2)c1-c1nn[nH]n1 ZINC000826238646 947702546 /nfs/dbraw/zinc/70/25/46/947702546.db2.gz LUHXUPGWPFHBCM-UHFFFAOYSA-N 0 1 378.868 1.188 20 0 GDADMN CC(C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)=C1CCCC1 ZINC001573627329 947719021 /nfs/dbraw/zinc/71/90/21/947719021.db2.gz AAOYQZVAZGFJOG-OAHLLOKOSA-N 0 1 382.472 1.762 20 0 GDADMN CC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)s1)c1ccccc1F ZINC001573365095 947726280 /nfs/dbraw/zinc/72/62/80/947726280.db2.gz LAEQAGOXZYSXQG-CYBMUJFWSA-N 0 1 381.414 1.676 20 0 GDADMN C/C(=C/C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CC1 ZINC001573366340 947740099 /nfs/dbraw/zinc/74/00/99/947740099.db2.gz VRAYEBABSSXVCO-DHDOUQCBSA-N 0 1 380.456 1.298 20 0 GDADMN CC(=O)CCCC(=O)N(C)C[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573367719 947762968 /nfs/dbraw/zinc/76/29/68/947762968.db2.gz GROOQOHRRWFWQI-QMMMGPOBSA-N 0 1 385.881 1.995 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1C ZINC001573369858 947777849 /nfs/dbraw/zinc/77/78/49/947777849.db2.gz YMHFRBWJSUBDGX-AAEUAGOBSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001573369858 947777858 /nfs/dbraw/zinc/77/78/58/947777858.db2.gz YMHFRBWJSUBDGX-AAEUAGOBSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573369849 947778026 /nfs/dbraw/zinc/77/80/26/947778026.db2.gz YCHQYYDADFTQGX-DOMZBBRYSA-N 0 1 385.472 1.258 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573372788 947781514 /nfs/dbraw/zinc/78/15/14/947781514.db2.gz CLWWYVQEHXKRON-ZDUSSCGKSA-N 0 1 376.486 1.768 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573372788 947781519 /nfs/dbraw/zinc/78/15/19/947781519.db2.gz CLWWYVQEHXKRON-ZDUSSCGKSA-N 0 1 376.486 1.768 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573629637 947782359 /nfs/dbraw/zinc/78/23/59/947782359.db2.gz OTAAJWXMZPFFTN-UONOGXRCSA-N 0 1 384.488 1.555 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001573373125 947788568 /nfs/dbraw/zinc/78/85/68/947788568.db2.gz AZSQRGRGCOWDAB-HOTGVXAUSA-N 0 1 383.456 1.282 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573374632 947812261 /nfs/dbraw/zinc/81/22/61/947812261.db2.gz KOMCOMBTQJXDGG-HIFRSBDPSA-N 0 1 385.472 1.803 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573376268 947834838 /nfs/dbraw/zinc/83/48/38/947834838.db2.gz XASWHGWMABREFJ-CXAGYDPISA-N 0 1 385.472 1.482 20 0 GDADMN CC(=O)CCCC(=O)N1CCC(N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573376369 947836605 /nfs/dbraw/zinc/83/66/05/947836605.db2.gz ZKRXUAHCQMRGTP-UHFFFAOYSA-N 0 1 385.472 1.757 20 0 GDADMN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1-c1nn[nH]n1 ZINC000826299832 947870102 /nfs/dbraw/zinc/87/01/02/947870102.db2.gz XDKYHHMLXHMKHA-UHFFFAOYSA-N 0 1 386.393 1.307 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCCC1 ZINC001573647587 947898633 /nfs/dbraw/zinc/89/86/33/947898633.db2.gz PQHKETMEWXZRBP-IJEWVQPXSA-N 0 1 399.503 1.180 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573647587 947898641 /nfs/dbraw/zinc/89/86/41/947898641.db2.gz PQHKETMEWXZRBP-IJEWVQPXSA-N 0 1 399.503 1.180 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573384821 947909202 /nfs/dbraw/zinc/90/92/02/947909202.db2.gz XUEYQYIYHHESDK-CQSZACIVSA-N 0 1 385.472 1.742 20 0 GDADMN C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573652866 947949682 /nfs/dbraw/zinc/94/96/82/947949682.db2.gz HSUPORXCZCWWHH-GWCFXTLKSA-N 0 1 384.469 1.251 20 0 GDADMN Cc1onc(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343090 947985373 /nfs/dbraw/zinc/98/53/73/947985373.db2.gz LSZCRYFIXNQJCE-HNNXBMFYSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343090 947985382 /nfs/dbraw/zinc/98/53/82/947985382.db2.gz LSZCRYFIXNQJCE-HNNXBMFYSA-N 0 1 381.440 1.439 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573667317 948097438 /nfs/dbraw/zinc/09/74/38/948097438.db2.gz YYKXKLIYBKLUQM-HIFRSBDPSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573670681 948103174 /nfs/dbraw/zinc/10/31/74/948103174.db2.gz CVKZTXJLMXQBKG-CXAGYDPISA-N 0 1 380.456 1.094 20 0 GDADMN NC(=O)[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388698 948195954 /nfs/dbraw/zinc/19/59/54/948195954.db2.gz HGZWJKHZRUUNBN-NVXWUHKLSA-N 0 1 397.870 1.915 20 0 GDADMN CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573434283 948211851 /nfs/dbraw/zinc/21/18/51/948211851.db2.gz PQKLQMSWASPEEB-WCQYABFASA-N 0 1 383.378 1.451 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1)[C@@H]1CCCO1 ZINC001573690834 948230723 /nfs/dbraw/zinc/23/07/23/948230723.db2.gz BXOVFMMEAYAULM-OCCSQVGLSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1)[C@@H]1CCCO1 ZINC001573690834 948230735 /nfs/dbraw/zinc/23/07/35/948230735.db2.gz BXOVFMMEAYAULM-OCCSQVGLSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H](C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)n1cccc1 ZINC001573691173 948237038 /nfs/dbraw/zinc/23/70/38/948237038.db2.gz DLUGTBMRZVEWGG-CYBMUJFWSA-N 0 1 383.431 1.807 20 0 GDADMN O=C(C[NH2+]C1(CO)CCCCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826412111 948249733 /nfs/dbraw/zinc/24/97/33/948249733.db2.gz BOEIAPAQQSETPB-UHFFFAOYSA-N 0 1 396.455 1.276 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000826424958 948275105 /nfs/dbraw/zinc/27/51/05/948275105.db2.gz KDLBLRZDEWANKM-CYBMUJFWSA-N 0 1 392.345 1.745 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@H](C)C(=O)[O-] ZINC001602757776 971472749 /nfs/dbraw/zinc/47/27/49/971472749.db2.gz MAOWCIPMVZGXSN-IIAWOOMASA-N 0 1 385.505 1.933 20 0 GDADMN O=C1[C@H](N2CCN3CCCC[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477300 948387921 /nfs/dbraw/zinc/38/79/21/948387921.db2.gz ZKAURBKWWMTIFC-ZWKOTPCHSA-N 0 1 381.484 1.532 20 0 GDADMN CC(=O)NCC[N@@H+](Cc1ccc(C(=O)OCc2ccccc2)[nH]1)[C@H](C)C(=O)[O-] ZINC001602758284 971476329 /nfs/dbraw/zinc/47/63/29/971476329.db2.gz AZACPKXEISBZSJ-CQSZACIVSA-N 0 1 387.436 1.783 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573713804 948468041 /nfs/dbraw/zinc/46/80/41/948468041.db2.gz BUFBEBARIMHENM-UONOGXRCSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573714018 948469607 /nfs/dbraw/zinc/46/96/07/948469607.db2.gz CQLSQMZAFMMJOT-LRDDRELGSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](C(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573714717 948477275 /nfs/dbraw/zinc/47/72/75/948477275.db2.gz JDXOISKEGNAFHL-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573715286 948488439 /nfs/dbraw/zinc/48/84/39/948488439.db2.gz SNCGULSKHZNSLC-WDEREUQCSA-N 0 1 383.378 1.793 20 0 GDADMN C[C@@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)[C@@H]1CCCO1 ZINC001573721562 948539848 /nfs/dbraw/zinc/53/98/48/948539848.db2.gz YJQLAWVTJHUBLR-DOMZBBRYSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H](C)C(C)(C)C ZINC001573725527 948541242 /nfs/dbraw/zinc/54/12/42/948541242.db2.gz ADHROTUDKBCXLT-SYQHCUMBSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573736089 948612524 /nfs/dbraw/zinc/61/25/24/948612524.db2.gz HQWGUFFHDOUMCF-MORSLUCNSA-N 0 1 392.467 1.722 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cccs1 ZINC001573755180 948757622 /nfs/dbraw/zinc/75/76/22/948757622.db2.gz BQWFDECPOJKEME-KBNOKHGBSA-N 0 1 381.465 1.678 20 0 GDADMN CC(F)(F)C1(C(=O)NCCC2(CNc3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575224009 948778410 /nfs/dbraw/zinc/77/84/10/948778410.db2.gz SRLPNRFWTHDLFO-UHFFFAOYSA-N 0 1 392.414 1.212 20 0 GDADMN CC(F)(F)CC(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001575229264 948843068 /nfs/dbraw/zinc/84/30/68/948843068.db2.gz FLCBZYGLHYZGQK-UHFFFAOYSA-N 0 1 388.382 1.352 20 0 GDADMN CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573762012 948847472 /nfs/dbraw/zinc/84/74/72/948847472.db2.gz OMGBLCAEMJRXPR-AOOOYVTPSA-N 0 1 378.387 1.128 20 0 GDADMN C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574918513 948850123 /nfs/dbraw/zinc/85/01/23/948850123.db2.gz LZHASPZMJFJAMD-AWEZNQCLSA-N 0 1 380.456 1.621 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001575230015 948866178 /nfs/dbraw/zinc/86/61/78/948866178.db2.gz ZACITTINTZWWJS-ZCFIWIBFSA-N 0 1 377.808 1.717 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573763181 948869727 /nfs/dbraw/zinc/86/97/27/948869727.db2.gz CRUKRJVPZGJYAU-AWEZNQCLSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573764280 948884203 /nfs/dbraw/zinc/88/42/03/948884203.db2.gz LLHPYPJYFARGNE-UONOGXRCSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@H](CNC(=O)CCc1nccs1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920168 948892576 /nfs/dbraw/zinc/89/25/76/948892576.db2.gz DXAJVNOPOIZPNQ-LLVKDONJSA-N 0 1 389.460 1.689 20 0 GDADMN CC(F)(F)CCC(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001575234804 948904508 /nfs/dbraw/zinc/90/45/08/948904508.db2.gz FZCAKNFEJBCORB-JTQLQIEISA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001574088325 948916175 /nfs/dbraw/zinc/91/61/75/948916175.db2.gz AWTZSRRHZQKUKF-AYMQEEERSA-N 0 1 385.472 1.194 20 0 GDADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574688248 948955616 /nfs/dbraw/zinc/95/56/16/948955616.db2.gz SJPIULKNKOQHBG-MVWJERBFSA-N 0 1 385.407 1.234 20 0 GDADMN CC(C)c1nc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)n[nH]1 ZINC001574435272 948990508 /nfs/dbraw/zinc/99/05/08/948990508.db2.gz RMLLODCWIMXABM-UHFFFAOYSA-N 0 1 383.416 1.856 20 0 GDADMN CC(C)c1n[nH]c(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)n1 ZINC001574435272 948990515 /nfs/dbraw/zinc/99/05/15/948990515.db2.gz RMLLODCWIMXABM-UHFFFAOYSA-N 0 1 383.416 1.856 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001575242864 948990492 /nfs/dbraw/zinc/99/04/92/948990492.db2.gz LQKAHNMNWGAFEJ-HAQNSBGRSA-N 0 1 379.415 1.958 20 0 GDADMN CC(C)[C@H]1C[C@@H](CC(=O)NCCN(C)c2ccncc2-c2nn[nH]n2)CCO1 ZINC001574092257 949054819 /nfs/dbraw/zinc/05/48/19/949054819.db2.gz MYGMKXUKBNTMKS-WMLDXEAASA-N 0 1 387.488 1.655 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573779289 949060006 /nfs/dbraw/zinc/06/00/06/949060006.db2.gz GJSBDXNSGDQSOF-NSHDSACASA-N 0 1 379.415 1.886 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573779675 949067238 /nfs/dbraw/zinc/06/72/38/949067238.db2.gz LTTDZYYVHZWHFK-SECBINFHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574694514 949077296 /nfs/dbraw/zinc/07/72/96/949077296.db2.gz QNGIDKOPQAMHIJ-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001574441866 949079866 /nfs/dbraw/zinc/07/98/66/949079866.db2.gz DDATTYAIYSZGML-HNNXBMFYSA-N 0 1 384.444 1.662 20 0 GDADMN C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 ZINC001575514142 949161488 /nfs/dbraw/zinc/16/14/88/949161488.db2.gz BFDLPDXFBHJFAC-RRQGHBQHSA-N 0 1 377.452 1.960 20 0 GDADMN CC(C)c1oncc1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574448163 949177420 /nfs/dbraw/zinc/17/74/20/949177420.db2.gz DTGPWKFGLGHDGA-UHFFFAOYSA-N 0 1 383.416 1.121 20 0 GDADMN CC(C)c1oncc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574448031 949179655 /nfs/dbraw/zinc/17/96/55/949179655.db2.gz CAIVTIJUJQWEOL-UHFFFAOYSA-N 0 1 383.416 1.167 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C1CCCC1 ZINC001573787590 949181666 /nfs/dbraw/zinc/18/16/66/949181666.db2.gz YGASDYBTMDKHEN-NHAGDIPZSA-N 0 1 382.472 1.424 20 0 GDADMN C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575253167 949182344 /nfs/dbraw/zinc/18/23/44/949182344.db2.gz IZOGJWGFMFGMAM-STQMWFEESA-N 0 1 378.440 1.116 20 0 GDADMN C[C@@H](CNC(=O)COc1ccc(Cl)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574934915 949183980 /nfs/dbraw/zinc/18/39/80/949183980.db2.gz UWVOMWXHYPAWEW-NSHDSACASA-N 0 1 387.831 1.333 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C(C1CCC1)C1CCC1 ZINC001575253521 949189542 /nfs/dbraw/zinc/18/95/42/949189542.db2.gz UOXKBIPIWYCGIK-NEPJUHHUSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574935303 949195545 /nfs/dbraw/zinc/19/55/45/949195545.db2.gz ACKOJHXFUFGJEU-VIFPVBQESA-N 0 1 390.810 1.030 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575516914 949217516 /nfs/dbraw/zinc/21/75/16/949217516.db2.gz RPEABRAIQPSDOD-LBPRGKRZSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574937230 949221895 /nfs/dbraw/zinc/22/18/95/949221895.db2.gz MXGMTHIXCQEAIJ-JTQLQIEISA-N 0 1 389.822 1.635 20 0 GDADMN CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574451326 949226823 /nfs/dbraw/zinc/22/68/23/949226823.db2.gz MNRGIDIRWSXROR-LLVKDONJSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575255344 949227011 /nfs/dbraw/zinc/22/70/11/949227011.db2.gz ZGBXFRIHTIQRKO-CHWSQXEVSA-N 0 1 387.492 1.226 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001575854392 949231350 /nfs/dbraw/zinc/23/13/50/949231350.db2.gz UGNBDWOKAHOMKD-BFHYXJOUSA-N 0 1 382.472 1.308 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC001575854433 949232709 /nfs/dbraw/zinc/23/27/09/949232709.db2.gz WVSOXAKHCIOFML-AWEZNQCLSA-N 0 1 385.472 1.293 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001575854641 949238688 /nfs/dbraw/zinc/23/86/88/949238688.db2.gz YQNNJPQGZGBEHO-CQSZACIVSA-N 0 1 385.472 1.436 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574699436 949239471 /nfs/dbraw/zinc/23/94/71/949239471.db2.gz UWBWXFJNHPGVJL-VXGBXAGGSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574699436 949239496 /nfs/dbraw/zinc/23/94/96/949239496.db2.gz UWBWXFJNHPGVJL-VXGBXAGGSA-N 0 1 388.501 1.402 20 0 GDADMN CC(C)n1cc(C(=O)NCCN(C)Cc2ccc(F)c(-c3nn[nH]n3)c2)cn1 ZINC001574451931 949247158 /nfs/dbraw/zinc/24/71/58/949247158.db2.gz AYTQPZUQJHYSTN-UHFFFAOYSA-N 0 1 386.435 1.645 20 0 GDADMN C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575257311 949273821 /nfs/dbraw/zinc/27/38/21/949273821.db2.gz ZRLCOUUMIQRTOE-KBPBESRZSA-N 0 1 377.452 1.721 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574703450 949326321 /nfs/dbraw/zinc/32/63/21/949326321.db2.gz BXFSLPDCGNDOFJ-ZDUSSCGKSA-N 0 1 378.440 1.069 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccon1 ZINC001576155295 949394573 /nfs/dbraw/zinc/39/45/73/949394573.db2.gz HTPFAOBSJCIPCK-SGTLLEGYSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@@H](CNC(=O)Cc1cscn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574945523 949412310 /nfs/dbraw/zinc/41/23/10/949412310.db2.gz LLBTWAFTTCWZTP-LURJTMIESA-N 0 1 384.878 1.592 20 0 GDADMN CC1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575534798 949431069 /nfs/dbraw/zinc/43/10/69/949431069.db2.gz PNRCFVCGVWPJIU-ZDUSSCGKSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575534798 949431089 /nfs/dbraw/zinc/43/10/89/949431089.db2.gz PNRCFVCGVWPJIU-ZDUSSCGKSA-N 0 1 390.513 1.683 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574465617 949437005 /nfs/dbraw/zinc/43/70/05/949437005.db2.gz SVFSBRHAGIPDOG-CYBMUJFWSA-N 0 1 381.444 1.438 20 0 GDADMN CC(C)n1cnc(C(=O)NCCNc2nc(-c3nn[nH]n3)c(Cl)s2)c1 ZINC001574465504 949438103 /nfs/dbraw/zinc/43/81/03/949438103.db2.gz ZLUUWVPEBZJMNN-UHFFFAOYSA-N 0 1 381.853 1.596 20 0 GDADMN C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575265838 949458977 /nfs/dbraw/zinc/45/89/77/949458977.db2.gz VUERLVBJPJLPSE-DZGCQCFKSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@@H](NC(=O)CC1(O)CCC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575266238 949473792 /nfs/dbraw/zinc/47/37/92/949473792.db2.gz CFQSODQJFPOAQK-GFCCVEGCSA-N 0 1 388.447 1.247 20 0 GDADMN C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574470577 949508534 /nfs/dbraw/zinc/50/85/34/949508534.db2.gz FUNNOMKQLHRLSM-KBPBESRZSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@@H](CC(=O)N(C)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574470783 949514564 /nfs/dbraw/zinc/51/45/64/949514564.db2.gz GTHSQOOVPGVNTQ-GRTSSRMGSA-N 0 1 384.488 1.696 20 0 GDADMN CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574122096 949520940 /nfs/dbraw/zinc/52/09/40/949520940.db2.gz VHSPPKCLOGLYPG-INIZCTEOSA-N 0 1 392.467 1.750 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574711918 949566686 /nfs/dbraw/zinc/56/66/86/949566686.db2.gz NZNCMLHVRXTBEK-IAQYHMDHSA-N 0 1 381.415 1.421 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCCC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166658 949584523 /nfs/dbraw/zinc/58/45/23/949584523.db2.gz NFEOKCTUEYAIGD-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccon1 ZINC001573811038 949587451 /nfs/dbraw/zinc/58/74/51/949587451.db2.gz HAWRCSBECCGXDV-ZDUSSCGKSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccon1 ZINC001573811038 949587465 /nfs/dbraw/zinc/58/74/65/949587465.db2.gz HAWRCSBECCGXDV-ZDUSSCGKSA-N 0 1 375.458 1.851 20 0 GDADMN C[C@H](NC(=O)C[C@@H]1CCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575270447 949592028 /nfs/dbraw/zinc/59/20/28/949592028.db2.gz ZTHXXRGELIBCAL-AAEUAGOBSA-N 0 1 376.486 1.434 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575270751 949602772 /nfs/dbraw/zinc/60/27/72/949602772.db2.gz GAKVBHGCZGEVJS-BDAKNGLRSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575270751 949602778 /nfs/dbraw/zinc/60/27/78/949602778.db2.gz GAKVBHGCZGEVJS-BDAKNGLRSA-N 0 1 386.913 1.624 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573815202 949647537 /nfs/dbraw/zinc/64/75/37/949647537.db2.gz GVZZQPGIGSIVFY-LSDHHAIUSA-N 0 1 392.467 1.361 20 0 GDADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1cnns1 ZINC001576170503 949718910 /nfs/dbraw/zinc/71/89/10/949718910.db2.gz LOHADJLHJKVXAH-IINYFYTJSA-N 0 1 387.473 1.077 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cncc(F)c1 ZINC001573818282 949727222 /nfs/dbraw/zinc/72/72/22/949727222.db2.gz JTGUVVPTKKRDSX-OAHLLOKOSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718017 949758445 /nfs/dbraw/zinc/75/84/45/949758445.db2.gz REIVXFQNVWWZOP-OLZOCXBDSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718017 949758468 /nfs/dbraw/zinc/75/84/68/949758468.db2.gz REIVXFQNVWWZOP-OLZOCXBDSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001576171738 949777778 /nfs/dbraw/zinc/77/77/78/949777778.db2.gz RNIDEVZIDFONSM-KBPBESRZSA-N 0 1 384.488 1.958 20 0 GDADMN CC1(C(=O)N[C@@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)CCCC1 ZINC001575560214 949779824 /nfs/dbraw/zinc/77/98/24/949779824.db2.gz MRUJTGSCUNWUFO-CHWSQXEVSA-N 0 1 382.472 1.498 20 0 GDADMN C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001574481542 949782156 /nfs/dbraw/zinc/78/21/56/949782156.db2.gz RFZZELXVWAVESV-SECBINFHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCCOC1 ZINC001575565988 949892145 /nfs/dbraw/zinc/89/21/45/949892145.db2.gz ZICCGWXDNDAROP-YLJYHZDGSA-N 0 1 384.484 1.764 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575284162 949894692 /nfs/dbraw/zinc/89/46/92/949894692.db2.gz HYJSWGRMVFBYNA-CABCVRRESA-N 0 1 386.504 1.323 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575284162 949894709 /nfs/dbraw/zinc/89/47/09/949894709.db2.gz HYJSWGRMVFBYNA-CABCVRRESA-N 0 1 386.504 1.323 20 0 GDADMN C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574485012 949915382 /nfs/dbraw/zinc/91/53/82/949915382.db2.gz UQORCSCSTPJUEF-OAHLLOKOSA-N 0 1 392.467 1.889 20 0 GDADMN CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCC(F)(F)CC1 ZINC001575569551 949925961 /nfs/dbraw/zinc/92/59/61/949925961.db2.gz KZNUZJRKBJLPKI-NSHDSACASA-N 0 1 392.414 1.567 20 0 GDADMN C[C@@H](NC(=O)COCC1CC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575285192 949936810 /nfs/dbraw/zinc/93/68/10/949936810.db2.gz ZPKSAAZBCNGGIN-GFCCVEGCSA-N 0 1 388.447 1.369 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576180451 949953417 /nfs/dbraw/zinc/95/34/17/949953417.db2.gz HZJMLFDWKDJRRU-MFKMUULPSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576180451 949953433 /nfs/dbraw/zinc/95/34/33/949953433.db2.gz HZJMLFDWKDJRRU-MFKMUULPSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574489283 949958147 /nfs/dbraw/zinc/95/81/47/949958147.db2.gz IAWRMAQFEFSEMF-TVQRCGJNSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180514 949961033 /nfs/dbraw/zinc/96/10/33/949961033.db2.gz DVHXZPDIBDOOQK-UONOGXRCSA-N 0 1 387.463 1.720 20 0 GDADMN CC1(C(=O)N[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)CC(F)(F)C1 ZINC001575574059 950011996 /nfs/dbraw/zinc/01/19/96/950011996.db2.gz RKLQKNGADWXBKM-JTQLQIEISA-N 0 1 392.414 1.423 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cccc(C2CC2)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574729544 950021606 /nfs/dbraw/zinc/02/16/06/950021606.db2.gz OFQHFIDKXZGRKV-ZDUSSCGKSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491608 950039972 /nfs/dbraw/zinc/03/99/72/950039972.db2.gz DXEAYBHNBHGXCS-VBKZILBWSA-N 0 1 392.467 1.936 20 0 GDADMN CC(C)C[C@@H](CN[C@H](C)c1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151266 950065424 /nfs/dbraw/zinc/06/54/24/950065424.db2.gz OIQFAMLHRXHICQ-OCCSQVGLSA-N 0 1 383.460 1.480 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ccon1 ZINC001574151348 950071670 /nfs/dbraw/zinc/07/16/70/950071670.db2.gz PQDGYIIUPQSTSK-CYBMUJFWSA-N 0 1 389.485 1.779 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ccon1 ZINC001574151348 950071687 /nfs/dbraw/zinc/07/16/87/950071687.db2.gz PQDGYIIUPQSTSK-CYBMUJFWSA-N 0 1 389.485 1.779 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575897686 950144891 /nfs/dbraw/zinc/14/48/91/950144891.db2.gz QBGCEPFIOCPECT-SUMWQHHRSA-N 0 1 380.456 1.383 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(F)CCCCC1 ZINC001574155765 950211683 /nfs/dbraw/zinc/21/16/83/950211683.db2.gz RIXXMKKAZAVFHS-CYBMUJFWSA-N 0 1 390.467 1.694 20 0 GDADMN C[C@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191807 950215999 /nfs/dbraw/zinc/21/59/99/950215999.db2.gz ILSRDKSQBACAKD-DZGCQCFKSA-N 0 1 378.440 1.289 20 0 GDADMN CC(C)(C)CCC[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573845154 950221720 /nfs/dbraw/zinc/22/17/20/950221720.db2.gz SYTTYCDKPVGDEB-GOSISDBHSA-N 0 1 375.477 1.188 20 0 GDADMN C[C@@H](NC[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1nc(C2CC2)no1 ZINC001574983537 950222206 /nfs/dbraw/zinc/22/22/06/950222206.db2.gz PEJHYYRIANRYQO-VHSXEESVSA-N 0 1 385.432 1.172 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)n1cccc1 ZINC001574497982 950249305 /nfs/dbraw/zinc/24/93/05/950249305.db2.gz HSLORUUTOJOSSZ-CQSZACIVSA-N 0 1 380.456 1.587 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cccc(Cl)c1F ZINC001574984010 950250679 /nfs/dbraw/zinc/25/06/79/950250679.db2.gz VFKARAGROVIKMH-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(F)nc1 ZINC001574157896 950258862 /nfs/dbraw/zinc/25/88/62/950258862.db2.gz KUQVHLCMVZWDJI-ZDUSSCGKSA-N 0 1 384.419 1.474 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCOC1 ZINC001574158241 950271766 /nfs/dbraw/zinc/27/17/66/950271766.db2.gz PNSBCVAIYMUJSD-HUUCEWRRSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263156079 950300117 /nfs/dbraw/zinc/30/01/17/950300117.db2.gz FTVCFSWXXPHTCC-OWCLPIDISA-N 0 1 377.460 1.905 20 0 GDADMN C[C@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@H]1CCCO1 ZINC001574500384 950313649 /nfs/dbraw/zinc/31/36/49/950313649.db2.gz ZXKFPKFDNBOJCD-CZUORRHYSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H]1CCN(C(=O)c2ccn[nH]2)C[C@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576193782 950315674 /nfs/dbraw/zinc/31/56/74/950315674.db2.gz XBBGMOJWNNLMCP-CMPLNLGQSA-N 0 1 385.407 1.334 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCC[C@H]2CCC(=O)[O-])CC1=O ZINC000263215862 950330488 /nfs/dbraw/zinc/33/04/88/950330488.db2.gz XLVSCSSJJQLWAF-IXDOHACOSA-N 0 1 379.501 1.565 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908247 950354225 /nfs/dbraw/zinc/35/42/25/950354225.db2.gz SYVFOHKYPXRNKE-SMDDNHRTSA-N 0 1 387.469 1.628 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908247 950354239 /nfs/dbraw/zinc/35/42/39/950354239.db2.gz SYVFOHKYPXRNKE-SMDDNHRTSA-N 0 1 387.469 1.628 20 0 GDADMN CC(C)CC1(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162456 950379657 /nfs/dbraw/zinc/37/96/57/950379657.db2.gz AUHSHWMIWNUTKB-UONOGXRCSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576197263 950381366 /nfs/dbraw/zinc/38/13/66/950381366.db2.gz MHTIBUMDBYRAMI-HOCLYGCPSA-N 0 1 384.488 1.397 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576197263 950381391 /nfs/dbraw/zinc/38/13/91/950381391.db2.gz MHTIBUMDBYRAMI-HOCLYGCPSA-N 0 1 384.488 1.397 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001573855634 950384353 /nfs/dbraw/zinc/38/43/53/950384353.db2.gz YPXUPVMHSFDRTK-GGAZOKNXSA-N 0 1 382.472 1.280 20 0 GDADMN CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2ccncc2-c2nn[nH]n2)nn1C ZINC001574747575 950407274 /nfs/dbraw/zinc/40/72/74/950407274.db2.gz UHLBFEGGFWHNQH-GFCCVEGCSA-N 0 1 383.460 1.113 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574506419 950432803 /nfs/dbraw/zinc/43/28/03/950432803.db2.gz CQIUDNVDCVFCNA-DZKIICNBSA-N 0 1 392.467 1.579 20 0 GDADMN CC1CCN(CC(=O)N[C@@]2(C)CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576203299 950442819 /nfs/dbraw/zinc/44/28/19/950442819.db2.gz GJZOQVPLERNRNU-IBGZPJMESA-N 0 1 384.488 1.079 20 0 GDADMN C[C@]1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000379987677 971668803 /nfs/dbraw/zinc/66/88/03/971668803.db2.gz LEQOUZQEQBLKFM-GOSISDBHSA-N 0 1 392.481 1.158 20 0 GDADMN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001573861628 950453907 /nfs/dbraw/zinc/45/39/07/950453907.db2.gz FHHGFBZITKQCPH-MNOVXSKESA-N 0 1 394.457 1.050 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574507406 950456663 /nfs/dbraw/zinc/45/66/63/950456663.db2.gz IFTCLGTWZDEDCU-ZJOBFFGXSA-N 0 1 385.472 1.196 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc2ccccc2n1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751637 950462218 /nfs/dbraw/zinc/46/22/18/950462218.db2.gz PPHAVHYOYOUXLW-GFCCVEGCSA-N 0 1 391.439 1.143 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751993 950470339 /nfs/dbraw/zinc/47/03/39/950470339.db2.gz SMDMVUCWHCRGSH-NSHDSACASA-N 0 1 382.428 1.123 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574752303 950479239 /nfs/dbraw/zinc/47/92/39/950479239.db2.gz AKUOPXITAVVGAF-GFCCVEGCSA-N 0 1 381.444 1.170 20 0 GDADMN CC1CC[NH+](CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)CC1 ZINC001576205294 950510065 /nfs/dbraw/zinc/51/00/65/950510065.db2.gz WSRQAMNOVBKIKZ-UHFFFAOYSA-N 0 1 389.529 1.304 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)on1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574999073 950567090 /nfs/dbraw/zinc/56/70/90/950567090.db2.gz FSEQLGPWCXMIBW-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576206920 950580566 /nfs/dbraw/zinc/58/05/66/950580566.db2.gz ZPZCTCMFUQBSOI-LRDDRELGSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576206920 950580581 /nfs/dbraw/zinc/58/05/81/950580581.db2.gz ZPZCTCMFUQBSOI-LRDDRELGSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574999446 950581548 /nfs/dbraw/zinc/58/15/48/950581548.db2.gz KANMGHPVFFJPNQ-NSHDSACASA-N 0 1 381.444 1.127 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575000898 950619516 /nfs/dbraw/zinc/61/95/16/950619516.db2.gz HXNLIFXXIIOEKJ-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575001164 950621688 /nfs/dbraw/zinc/62/16/88/950621688.db2.gz UMSKKXKAWAQCEF-QMMMGPOBSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)c[nH]1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575001468 950632284 /nfs/dbraw/zinc/63/22/84/950632284.db2.gz KZSPNCNBHLRCJQ-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001571 950636738 /nfs/dbraw/zinc/63/67/38/950636738.db2.gz VUBGIBGNWIIEBJ-SNVBAGLBSA-N 0 1 386.485 1.447 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575001571 950636747 /nfs/dbraw/zinc/63/67/47/950636747.db2.gz VUBGIBGNWIIEBJ-SNVBAGLBSA-N 0 1 386.485 1.447 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575923492 950660687 /nfs/dbraw/zinc/66/06/87/950660687.db2.gz BQJHYELMFZOKJM-BONVTDFDSA-N 0 1 385.378 1.677 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575002325 950661111 /nfs/dbraw/zinc/66/11/11/950661111.db2.gz SCSNHFOXYAXVHO-NSHDSACASA-N 0 1 383.431 1.731 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CCN1c1ncccc1-c1nn[nH]n1 ZINC001576214328 950670527 /nfs/dbraw/zinc/67/05/27/950670527.db2.gz PJHYBAXBWOOWMJ-ZBFHGGJFSA-N 0 1 384.488 1.077 20 0 GDADMN CC(C)CCC(=O)N1C[C@@]2(C)CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001574176401 950676671 /nfs/dbraw/zinc/67/66/71/950676671.db2.gz VMJUWFCJSWJTBA-KDURUIRLSA-N 0 1 384.488 1.768 20 0 GDADMN CC1CCN(c2ccc(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)cc2)CC1 ZINC001576214627 950678762 /nfs/dbraw/zinc/67/87/62/950678762.db2.gz RGAKFHQELUJUTH-UHFFFAOYSA-N 0 1 381.444 1.125 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573877773 950691391 /nfs/dbraw/zinc/69/13/91/950691391.db2.gz FQZCNTXRRCWXOG-UMVBOHGHSA-N 0 1 385.472 1.005 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccccc1 ZINC001574519766 950695387 /nfs/dbraw/zinc/69/53/87/950695387.db2.gz YNMXWBUBRHKOQA-TXPWEPMLSA-N 0 1 390.451 1.401 20 0 GDADMN C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575005696 950697074 /nfs/dbraw/zinc/69/70/74/950697074.db2.gz LDAJSSXCRYNKLW-GFCCVEGCSA-N 0 1 381.444 1.049 20 0 GDADMN CC1(C)CC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575625751 950697452 /nfs/dbraw/zinc/69/74/52/950697452.db2.gz VXJLEHUQYREPSJ-OKILXGFUSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001574520093 950713054 /nfs/dbraw/zinc/71/30/54/950713054.db2.gz LMYBGPXXQPKGBS-QMMMGPOBSA-N 0 1 383.480 1.930 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926565 950713772 /nfs/dbraw/zinc/71/37/72/950713772.db2.gz KNPOXSGEHLZNRA-SJKOYZFVSA-N 0 1 391.435 1.429 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575927817 950759702 /nfs/dbraw/zinc/75/97/02/950759702.db2.gz VBPBUPZNWISZJM-BLLLJJGKSA-N 0 1 390.451 1.671 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ccon1 ZINC001574521076 950766602 /nfs/dbraw/zinc/76/66/02/950766602.db2.gz CWSRLKCQNGNLNI-GHMZBOCLSA-N 0 1 375.458 1.532 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ccon1 ZINC001574521076 950766611 /nfs/dbraw/zinc/76/66/11/950766611.db2.gz CWSRLKCQNGNLNI-GHMZBOCLSA-N 0 1 375.458 1.532 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnsn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574764975 950768382 /nfs/dbraw/zinc/76/83/82/950768382.db2.gz AXZSVTKILFMGRV-VIFPVBQESA-N 0 1 376.421 1.108 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COC1CCCCC1 ZINC001575928095 950774151 /nfs/dbraw/zinc/77/41/51/950774151.db2.gz YMYVEGFTDXMERQ-CZUORRHYSA-N 0 1 385.472 1.434 20 0 GDADMN CC1(C)C[C@@H](NC(=O)[C@H]2CC2(F)F)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575638397 950827440 /nfs/dbraw/zinc/82/74/40/950827440.db2.gz BHKZSOJWZOUWAK-WDEREUQCSA-N 0 1 392.414 1.423 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576222201 950867299 /nfs/dbraw/zinc/86/72/99/950867299.db2.gz XURGPGLJPNSDAG-BXKDBHETSA-N 0 1 381.362 1.285 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnns1 ZINC001574527543 950889921 /nfs/dbraw/zinc/88/99/21/950889921.db2.gz DBNQSQDBSVPNFK-RKDXNWHRSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnns1 ZINC001574527543 950889937 /nfs/dbraw/zinc/88/99/37/950889937.db2.gz DBNQSQDBSVPNFK-RKDXNWHRSA-N 0 1 378.487 1.466 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575643305 950964235 /nfs/dbraw/zinc/96/42/35/950964235.db2.gz LFJJQGMBDMUNNP-BFUOFWGJSA-N 0 1 382.472 1.522 20 0 GDADMN CC(C)CCCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001574195270 950975543 /nfs/dbraw/zinc/97/55/43/950975543.db2.gz LUWIFYYGAKGVKW-LJQANCHMSA-N 0 1 387.488 1.548 20 0 GDADMN CC(C)CCCN1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574195654 951002177 /nfs/dbraw/zinc/00/21/77/951002177.db2.gz VUXPGAFPTZGYHF-GOSISDBHSA-N 0 1 375.477 1.452 20 0 GDADMN CC(C)n1cc(CN[C@H](C)C[C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 ZINC001574530949 951007298 /nfs/dbraw/zinc/00/72/98/951007298.db2.gz DXVFIDJRKLDKAM-VXGBXAGGSA-N 0 1 386.464 1.054 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N[C@H](C)c1ccc(F)cc1F ZINC001575019163 951033120 /nfs/dbraw/zinc/03/31/20/951033120.db2.gz SLKXHGLIWZFDAQ-NXEZZACHSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323486575 951047678 /nfs/dbraw/zinc/04/76/78/951047678.db2.gz BXXNTLDTPCHLIR-INIZCTEOSA-N 0 1 395.525 1.482 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575023256 951075723 /nfs/dbraw/zinc/07/57/23/951075723.db2.gz LOPITPLWHKODLF-GFCCVEGCSA-N 0 1 378.440 1.789 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024452 951104649 /nfs/dbraw/zinc/10/46/49/951104649.db2.gz DYYJYDGOTGPUMV-QMMMGPOBSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@@H]3C(=O)[O-])CC2)C1 ZINC000333371307 951129142 /nfs/dbraw/zinc/12/91/42/951129142.db2.gz FQOJNQRCHFSQPA-JTDSTZFVSA-N 0 1 393.528 1.669 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@@H]3C(=O)[O-])CC2)C1 ZINC000333371307 951129148 /nfs/dbraw/zinc/12/91/48/951129148.db2.gz FQOJNQRCHFSQPA-JTDSTZFVSA-N 0 1 393.528 1.669 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H](C)c2cn[nH]c2)c(C(=O)[O-])c1C ZINC001591466305 951143934 /nfs/dbraw/zinc/14/39/34/951143934.db2.gz APMGXACEZKTNNQ-VIFPVBQESA-N 0 1 380.426 1.944 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)c(C(=O)[O-])c1C ZINC001591466580 951147472 /nfs/dbraw/zinc/14/74/72/951147472.db2.gz JIMRWFWUOCJXIT-WDEREUQCSA-N 0 1 384.454 1.715 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)c(C(=O)[O-])c1C ZINC001591466580 951147482 /nfs/dbraw/zinc/14/74/82/951147482.db2.gz JIMRWFWUOCJXIT-WDEREUQCSA-N 0 1 384.454 1.715 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1ccn2C)Nc1ccncc1-c1nn[nH]n1 ZINC001575027243 951154660 /nfs/dbraw/zinc/15/46/60/951154660.db2.gz DJSYXVKDDRHHQO-LBPRGKRZSA-N 0 1 376.424 1.406 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2cccnc21)CNc1ccncc1-c1nn[nH]n1 ZINC001575027659 951162565 /nfs/dbraw/zinc/16/25/65/951162565.db2.gz HTQRZDCNEJUPOI-CYBMUJFWSA-N 0 1 388.435 1.710 20 0 GDADMN CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)cc1 ZINC001592691557 951350914 /nfs/dbraw/zinc/35/09/14/951350914.db2.gz MFMIGTOULOPTOK-FOCKTWCOSA-N 0 1 390.436 1.610 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043577 951400949 /nfs/dbraw/zinc/40/09/49/951400949.db2.gz KGRILHNTXLQGMZ-SECBINFHSA-N 0 1 385.457 1.245 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575053685 951481439 /nfs/dbraw/zinc/48/14/39/951481439.db2.gz UKHWDMUZJMVLIB-GFCCVEGCSA-N 0 1 383.460 1.113 20 0 GDADMN C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575060766 951547174 /nfs/dbraw/zinc/54/71/74/951547174.db2.gz GEOASOKVUUONJT-SECBINFHSA-N 0 1 387.473 1.063 20 0 GDADMN C[C@@H](CNC(=O)c1csnn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575062501 951567643 /nfs/dbraw/zinc/56/76/43/951567643.db2.gz WWYAKYAGKPDMIE-YFKPBYRVSA-N 0 1 385.866 1.306 20 0 GDADMN C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575066873 951599585 /nfs/dbraw/zinc/59/95/85/951599585.db2.gz NFBFBEVTDYHTQA-MRVPVSSYSA-N 0 1 378.343 1.442 20 0 GDADMN O=C([O-])CN1CC[C@H]([NH+]2CCC(NC(=O)OCc3ccccc3)CC2)C1=O ZINC001595073822 951619901 /nfs/dbraw/zinc/61/99/01/951619901.db2.gz IULYKSYLGRSFRY-INIZCTEOSA-N 0 1 375.425 1.063 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575088655 951740988 /nfs/dbraw/zinc/74/09/88/951740988.db2.gz ADFGALQLUIFKNB-IAQYHMDHSA-N 0 1 382.440 1.958 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575088655 951740997 /nfs/dbraw/zinc/74/09/97/951740997.db2.gz ADFGALQLUIFKNB-IAQYHMDHSA-N 0 1 382.440 1.958 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575091294 951773380 /nfs/dbraw/zinc/77/33/80/951773380.db2.gz QIJUZPLMOFVISP-DIFFPNOSSA-N 0 1 380.399 1.071 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001575091783 951784234 /nfs/dbraw/zinc/78/42/34/951784234.db2.gz YCHJQUYXBNYFMT-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CNC(=O)CCc1cnccn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099859 951840383 /nfs/dbraw/zinc/84/03/83/951840383.db2.gz PLCNIKAPJPXRQC-LBPRGKRZSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@H](CNC(=O)CCc1cnccn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099859 951840391 /nfs/dbraw/zinc/84/03/91/951840391.db2.gz PLCNIKAPJPXRQC-LBPRGKRZSA-N 0 1 386.485 1.193 20 0 GDADMN CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC001602889208 971792232 /nfs/dbraw/zinc/79/22/32/971792232.db2.gz RKLIEIDITMGTSM-UHFFFAOYSA-N 0 1 391.468 1.944 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575137458 952138729 /nfs/dbraw/zinc/13/87/29/952138729.db2.gz ZMTPNPLAPCIVGU-MGPLVRAMSA-N 0 1 392.414 1.211 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575143702 952156473 /nfs/dbraw/zinc/15/64/73/952156473.db2.gz CCXZAGZLDXGDTI-IFXJQAMLSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575144665 952169780 /nfs/dbraw/zinc/16/97/80/952169780.db2.gz KCPGZKKNLBKHJK-HXUWFJFHSA-N 0 1 377.452 1.623 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2occc2s1 ZINC001575144801 952172419 /nfs/dbraw/zinc/17/24/19/952172419.db2.gz LUAGUWYFGFYNEF-SECBINFHSA-N 0 1 384.425 1.459 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575145186 952179891 /nfs/dbraw/zinc/17/98/91/952179891.db2.gz RXGOESGEBZIWSQ-WBMJQRKESA-N 0 1 377.399 1.426 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575147170 952198996 /nfs/dbraw/zinc/19/89/96/952198996.db2.gz RLCLWGSHLUROJP-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575147862 952201066 /nfs/dbraw/zinc/20/10/66/952201066.db2.gz WQKCAQWGFBSNDK-CQSZACIVSA-N 0 1 391.479 1.674 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575148194 952203819 /nfs/dbraw/zinc/20/38/19/952203819.db2.gz YUOUXSVXTKMWEH-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](CCCN1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001595190627 952279472 /nfs/dbraw/zinc/27/94/72/952279472.db2.gz JZQJBZLSORKONW-JXFKEZNVSA-N 0 1 393.915 1.885 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)Cc1ccon1 ZINC001575164342 952292437 /nfs/dbraw/zinc/29/24/37/952292437.db2.gz DMAUYVBDJZVLIU-SSDOTTSWSA-N 0 1 382.837 1.466 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575164590 952295667 /nfs/dbraw/zinc/29/56/67/952295667.db2.gz FYYKQOMYROKHKG-CPFSXVBKSA-N 0 1 389.844 1.364 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575166303 952323762 /nfs/dbraw/zinc/32/37/62/952323762.db2.gz VCAZTEFFDXGXCY-RKDXNWHRSA-N 0 1 385.881 1.662 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CCS(=O)(=O)CC(=O)[O-])C[C@@H]21 ZINC001602902610 971826833 /nfs/dbraw/zinc/82/68/33/971826833.db2.gz DILMSHZMZVAADS-MELADBBJSA-N 0 1 390.502 1.111 20 0 GDADMN C[C@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575190964 952465501 /nfs/dbraw/zinc/46/55/01/952465501.db2.gz VPGKFFQCXOXELF-CYBMUJFWSA-N 0 1 383.431 1.832 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575191076 952465899 /nfs/dbraw/zinc/46/58/99/952465899.db2.gz WWAVROYFAMTRHM-RYUDHWBXSA-N 0 1 384.419 1.013 20 0 GDADMN O=C(c1ccc(C(F)F)o1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571115319 952466671 /nfs/dbraw/zinc/46/66/71/952466671.db2.gz UPQVHOZLUCQTRQ-VIFPVBQESA-N 0 1 375.339 1.541 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575200404 952495672 /nfs/dbraw/zinc/49/56/72/952495672.db2.gz JAGJELMUUHVBCK-SGMGOOAPSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575201271 952502372 /nfs/dbraw/zinc/50/23/72/952502372.db2.gz HZOZQESKYJZHIN-NWDGAFQWSA-N 0 1 384.419 1.621 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575201785 952506526 /nfs/dbraw/zinc/50/65/26/952506526.db2.gz QKWPWYJANWZMAG-OBJOEFQTSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccccc1 ZINC001571120947 952511174 /nfs/dbraw/zinc/51/11/74/952511174.db2.gz VCQKKPCHXHQSSY-YYWXWVFPSA-N 0 1 376.424 1.011 20 0 GDADMN C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571120956 952511552 /nfs/dbraw/zinc/51/15/52/952511552.db2.gz VHITZFUPDGIXAC-KCJUWKMLSA-N 0 1 376.421 1.041 20 0 GDADMN C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571120956 952511561 /nfs/dbraw/zinc/51/15/61/952511561.db2.gz VHITZFUPDGIXAC-KCJUWKMLSA-N 0 1 376.421 1.041 20 0 GDADMN CC[C@H](SC)C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001571122815 952526760 /nfs/dbraw/zinc/52/67/60/952526760.db2.gz LZQFJYAAVRNMEF-NEPJUHHUSA-N 0 1 376.490 1.226 20 0 GDADMN C[C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571124354 952537822 /nfs/dbraw/zinc/53/78/22/952537822.db2.gz GJUPWLVNSWRLPW-JTNHKYCSSA-N 0 1 377.399 1.378 20 0 GDADMN Cc1cc(N2CCC[C@H]2CNC(=O)C2CC(F)(F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124647 952543168 /nfs/dbraw/zinc/54/31/68/952543168.db2.gz QDAGOYADCMKSSR-LBPRGKRZSA-N 0 1 377.399 1.700 20 0 GDADMN CC(C)[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[NH+](C)C ZINC001571127197 952551328 /nfs/dbraw/zinc/55/13/28/952551328.db2.gz AZIXCZQRBLOHJI-OAHLLOKOSA-N 0 1 377.518 1.159 20 0 GDADMN C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(C/C=C\c2ccccc2)C1 ZINC001571128474 952567031 /nfs/dbraw/zinc/56/70/31/952567031.db2.gz UHASCVRSFYSWIC-BMWLXYDHSA-N 0 1 377.452 1.958 20 0 GDADMN O=C(Cc1cccnc1)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128415 952567330 /nfs/dbraw/zinc/56/73/30/952567330.db2.gz SZFUJJGSFIKPFE-SFHVURJKSA-N 0 1 377.452 1.585 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1NC(=O)[C@@H]1CCC1(F)F ZINC001571129498 952575551 /nfs/dbraw/zinc/57/55/51/952575551.db2.gz FEPLXNCBWUXMLY-UWVGGRQHSA-N 0 1 378.387 1.033 20 0 GDADMN O=C(C[C@H]1CCCC1(F)F)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571130179 952578596 /nfs/dbraw/zinc/57/85/96/952578596.db2.gz PFOHIKSFAOYCQY-MNOVXSKESA-N 0 1 378.387 1.177 20 0 GDADMN CCN(C(=O)[C@@H]1CCC1(F)F)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571130458 952579393 /nfs/dbraw/zinc/57/93/93/952579393.db2.gz RCIYAVAYVRCIST-QWRGUYRKSA-N 0 1 378.387 1.129 20 0 GDADMN Cc1cnccc1CC(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571134155 952586271 /nfs/dbraw/zinc/58/62/71/952586271.db2.gz FJEIOFJVTVBKIL-HIFRSBDPSA-N 0 1 378.440 1.031 20 0 GDADMN Cc1cccnc1C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571134146 952586484 /nfs/dbraw/zinc/58/64/84/952586484.db2.gz FDNSLJJBTHCXBG-CQSZACIVSA-N 0 1 378.440 1.494 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)Cc3cccnc3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134984 952598840 /nfs/dbraw/zinc/59/88/40/952598840.db2.gz PMCSCOZSRJEHFX-XJKSGUPXSA-N 0 1 378.440 1.031 20 0 GDADMN CCN(C(=O)c1ccc(C)cc1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135075 952599698 /nfs/dbraw/zinc/59/96/98/952599698.db2.gz OZJLJUZJYFKUKE-HNNXBMFYSA-N 0 1 378.440 1.706 20 0 GDADMN Cc1cccc(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571135131 952599886 /nfs/dbraw/zinc/59/98/86/952599886.db2.gz PNEYFYCAEWWOBL-AWEZNQCLSA-N 0 1 378.440 1.672 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)c1 ZINC001571135403 952603274 /nfs/dbraw/zinc/60/32/74/952603274.db2.gz WWIWMTIOUVJILE-BBRMVZONSA-N 0 1 378.440 1.350 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1-c1nn[nH]n1 ZINC001571135578 952605400 /nfs/dbraw/zinc/60/54/00/952605400.db2.gz XJGSDAQJYCZTTG-XYPHTWIQSA-N 0 1 378.440 1.434 20 0 GDADMN CN(C(=O)c1occ2c1CCC2)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571140110 952623364 /nfs/dbraw/zinc/62/33/64/952623364.db2.gz ADZZGXYWTAYOJS-UHFFFAOYSA-N 0 1 379.424 1.480 20 0 GDADMN O=C(NCc1ccc(CNc2ccncc2-c2nn[nH]n2)cc1)[C@H]1CCCO1 ZINC001571142587 952644028 /nfs/dbraw/zinc/64/40/28/952644028.db2.gz XNPKCDRJCLMHOJ-QGZVFWFLSA-N 0 1 379.424 1.091 20 0 GDADMN O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571151784 952679598 /nfs/dbraw/zinc/67/95/98/952679598.db2.gz XILOAJYLXROWJL-LJIZCISZSA-N 0 1 379.468 1.593 20 0 GDADMN O=C(CCc1ccoc1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571160367 952726328 /nfs/dbraw/zinc/72/63/28/952726328.db2.gz HSFDWEZNNAHZJL-OKILXGFUSA-N 0 1 380.412 1.062 20 0 GDADMN Cc1c[nH]nc1C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)[C@H]1C ZINC001571169933 952780617 /nfs/dbraw/zinc/78/06/17/952780617.db2.gz QZSWHHRSJCXRLB-XJKSGUPXSA-N 0 1 380.456 1.681 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571170487 952785494 /nfs/dbraw/zinc/78/54/94/952785494.db2.gz VIJKHVDOTGRJTM-UONOGXRCSA-N 0 1 380.456 1.994 20 0 GDADMN Cc1cc(NC[C@H]2CCCN(C(=O)c3ccn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571170498 952786986 /nfs/dbraw/zinc/78/69/86/952786986.db2.gz VKKOYUROKOGTLF-CQSZACIVSA-N 0 1 380.456 1.295 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)[C@@H]2C)on1 ZINC001571181409 952864469 /nfs/dbraw/zinc/86/44/69/952864469.db2.gz WERLZFQMQNBLRE-CJNGLKHVSA-N 0 1 381.440 1.946 20 0 GDADMN CC(C)Cc1c[nH]c(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001571181429 952864628 /nfs/dbraw/zinc/86/46/28/952864628.db2.gz WUNVALGCXILPJY-UHFFFAOYSA-N 0 1 381.444 1.146 20 0 GDADMN O=C(NCC1CN([C@@H]2CCc3ccc(F)cc32)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571182772 952869044 /nfs/dbraw/zinc/86/90/44/952869044.db2.gz FGSVWSMTZODJGN-QGZVFWFLSA-N 0 1 381.415 1.683 20 0 GDADMN CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571183481 952879052 /nfs/dbraw/zinc/87/90/52/952879052.db2.gz BHZXVPWREBFQHD-ZDUSSCGKSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1ccc(-c2nn[nH]n2)nc1 ZINC001571183764 952883374 /nfs/dbraw/zinc/88/33/74/952883374.db2.gz JAAUZSLBQKTSQF-WBMJQRKESA-N 0 1 381.444 1.728 20 0 GDADMN CCCc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[nH]n4)cn3)[C@H]2C)n[nH]1 ZINC001571184439 952894084 /nfs/dbraw/zinc/89/40/84/952894084.db2.gz ZKODFGDGIIZYEQ-RISCZKNCSA-N 0 1 381.444 1.652 20 0 GDADMN Cc1n[nH]cc1C(=O)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571186600 952908074 /nfs/dbraw/zinc/90/80/74/952908074.db2.gz YBAJTHJBICRPBV-UHFFFAOYSA-N 0 1 381.444 1.070 20 0 GDADMN Cc1cc(C(=O)N2CCC(C)(Nc3nc(C)ccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC001571188176 952912782 /nfs/dbraw/zinc/91/27/82/952912782.db2.gz HKJCHDUSNLKUQI-UHFFFAOYSA-N 0 1 381.444 1.708 20 0 GDADMN Cc1ncc(C(=O)N2C[C@@H](C)[C@H](CCNc3ncccc3-c3nn[nH]n3)C2)[nH]1 ZINC001571188810 952920559 /nfs/dbraw/zinc/92/05/59/952920559.db2.gz JUKDZWSUWFFJJI-DGCLKSJQSA-N 0 1 381.444 1.504 20 0 GDADMN Cc1nc(N[C@H](C)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189004 952922612 /nfs/dbraw/zinc/92/26/12/952922612.db2.gz LTTTWOBCOVGNIC-YPMHNXCESA-N 0 1 381.444 1.646 20 0 GDADMN Cc1nc(N[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571188991 952923116 /nfs/dbraw/zinc/92/31/16/952923116.db2.gz LJZJVAKDAJNDAH-IAQYHMDHSA-N 0 1 381.444 1.185 20 0 GDADMN Cc1ncc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nn[nH]n4)c(C)n3)C2)[nH]1 ZINC001571189236 952926750 /nfs/dbraw/zinc/92/67/50/952926750.db2.gz TVXFMXPUPGMNFM-GXFFZTMASA-N 0 1 381.444 1.422 20 0 GDADMN O=C(c1cscn1)N1C[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571189369 952929248 /nfs/dbraw/zinc/92/92/48/952929248.db2.gz QJIMEZXUUMTSHU-CZUORRHYSA-N 0 1 381.465 1.670 20 0 GDADMN Cc1cnc([C@@H](C)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)cn1 ZINC001571189571 952930571 /nfs/dbraw/zinc/93/05/71/952930571.db2.gz XNQJMPDJJQILGU-NSODJVPESA-N 0 1 381.444 1.105 20 0 GDADMN Cc1cc(N2CC[C@](C)(NC(=O)c3cncc(F)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571195735 952979091 /nfs/dbraw/zinc/97/90/91/952979091.db2.gz FNFSQBXKGHYPOJ-SFHVURJKSA-N 0 1 382.403 1.503 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC001571196772 952984561 /nfs/dbraw/zinc/98/45/61/952984561.db2.gz NTBIQGFXWDICJC-AWEZNQCLSA-N 0 1 382.403 1.537 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccon1 ZINC001571199778 953004256 /nfs/dbraw/zinc/00/42/56/953004256.db2.gz BRKFMVMZYVHCNN-OCCSQVGLSA-N 0 1 382.428 1.096 20 0 GDADMN CCCc1cc(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571200797 953012218 /nfs/dbraw/zinc/01/22/18/953012218.db2.gz LVTSBNFRXYTGDP-LBPRGKRZSA-N 0 1 382.428 1.341 20 0 GDADMN Cc1conc1C(=O)N1CC[C@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571201341 953016482 /nfs/dbraw/zinc/01/64/82/953016482.db2.gz KGLUGCMWRJIVGO-AAEUAGOBSA-N 0 1 382.428 1.190 20 0 GDADMN COCc1ccc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571202138 953022854 /nfs/dbraw/zinc/02/28/54/953022854.db2.gz VRCLWVWSODGKPG-UHFFFAOYSA-N 0 1 382.424 1.468 20 0 GDADMN Cc1nc(C(C)C)oc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571202290 953023865 /nfs/dbraw/zinc/02/38/65/953023865.db2.gz SKZMKKRAQQIILS-LBPRGKRZSA-N 0 1 382.428 1.430 20 0 GDADMN CC1(C)CN(c2ccncc2-c2nn[nH]n2)CC[C@H]1NC(=O)Cc1cnoc1 ZINC001571202403 953024639 /nfs/dbraw/zinc/02/46/39/953024639.db2.gz WBTHFZWPCJSNNE-OAHLLOKOSA-N 0 1 382.428 1.214 20 0 GDADMN Cc1cnoc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571202399 953024740 /nfs/dbraw/zinc/02/47/40/953024740.db2.gz ULTKVMFPBVOYHR-CHWSQXEVSA-N 0 1 382.428 1.654 20 0 GDADMN Cc1ncoc1CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571206260 953048850 /nfs/dbraw/zinc/04/88/50/953048850.db2.gz NWTRXZOOMYONTM-UGSOOPFHSA-N 0 1 382.428 1.276 20 0 GDADMN Cc1oc(C)c(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571206630 953053241 /nfs/dbraw/zinc/05/32/41/953053241.db2.gz SCFZUHHRTIYWBT-ZDUSSCGKSA-N 0 1 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C[C@@H](CNS(=O)(=O)c1ccsc1-c1nn[nH]n1)Oc1cccc(F)c1 ZINC001571229369 953168992 /nfs/dbraw/zinc/16/89/92/953168992.db2.gz CWXBUDCXLFPFAB-VIFPVBQESA-N 0 1 383.430 1.813 20 0 GDADMN Cc1cc(N2CC[C@@H]3CN(C(=O)[C@@H]4CCCO4)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233308 953191405 /nfs/dbraw/zinc/19/14/05/953191405.db2.gz RLTBLOPUVLKCMI-KEYYUXOJSA-N 0 1 383.456 1.034 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)C3=COCCC3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233389 953192479 /nfs/dbraw/zinc/19/24/79/953192479.db2.gz UCEIPXVZHAQFJH-HNNXBMFYSA-N 0 1 383.456 1.740 20 0 GDADMN O=C(NC[C@H]1CCCN1c1nc(-c2nn[nH]n2)c(Cl)s1)[C@H]1CCCO1 ZINC001571234517 953202929 /nfs/dbraw/zinc/20/29/29/953202929.db2.gz ANPCAWNWFMQLIF-RKDXNWHRSA-N 0 1 383.865 1.241 20 0 GDADMN O=C([C@@H]1CCOC1)N1CC[C@@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234551 953203009 /nfs/dbraw/zinc/20/30/09/953203009.db2.gz BKEJCXGSYIOEBG-DTWKUNHWSA-N 0 1 383.865 1.274 20 0 GDADMN CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)C1 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KXOJHHRALJLKEM-QWHCGFSZSA-N 0 1 384.444 1.576 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cnn1 ZINC001571244567 953265217 /nfs/dbraw/zinc/26/52/17/953265217.db2.gz BASYUCQSWHPEME-CYBMUJFWSA-N 0 1 384.469 1.421 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cnn1 ZINC001571244567 953265219 /nfs/dbraw/zinc/26/52/19/953265219.db2.gz BASYUCQSWHPEME-CYBMUJFWSA-N 0 1 384.469 1.421 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1ccsc1 ZINC001571244949 953269172 /nfs/dbraw/zinc/26/91/72/953269172.db2.gz AWXNWFJZVRSWJZ-NQBHXWOUSA-N 0 1 384.469 1.463 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2ccns2)C1 ZINC001571246112 953280037 /nfs/dbraw/zinc/28/00/37/953280037.db2.gz TURSOYSIESSLFM-VXGBXAGGSA-N 0 1 384.469 1.493 20 0 GDADMN O=C(Cc1ccsc1)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571248750 953297226 /nfs/dbraw/zinc/29/72/26/953297226.db2.gz ZDKYBRNZKBETQF-WCQYABFASA-N 0 1 384.469 1.080 20 0 GDADMN 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MMBPLIAELIGYRL-CQSZACIVSA-N 0 1 397.497 1.452 20 0 GDADMN C[N@@H+]([C@@H]1CCN(CC(=O)[O-])C1=O)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001593716647 954227711 /nfs/dbraw/zinc/22/77/11/954227711.db2.gz FOKMAYDZBLGVDX-CQSZACIVSA-N 0 1 383.489 1.831 20 0 GDADMN C[N@@H+](CCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)C1CCCCC1 ZINC001593728421 954301207 /nfs/dbraw/zinc/30/12/07/954301207.db2.gz KNOCSGHXHXTHGP-OAHLLOKOSA-N 0 1 379.501 1.565 20 0 GDADMN C[C@@H]1CN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[C@@H]1C(=O)[O-] ZINC001589388011 954315103 /nfs/dbraw/zinc/31/51/03/954315103.db2.gz QTUPYHJBHNOLMF-XOKHGSTOSA-N 0 1 388.468 1.711 20 0 GDADMN C[C@@H]1CN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC[C@@H]1C(=O)[O-] ZINC001589388011 954315117 /nfs/dbraw/zinc/31/51/17/954315117.db2.gz QTUPYHJBHNOLMF-XOKHGSTOSA-N 0 1 388.468 1.711 20 0 GDADMN C[C@@H]1CN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC[C@H]1C(=O)[O-] ZINC001589388009 954316193 /nfs/dbraw/zinc/31/61/93/954316193.db2.gz QTUPYHJBHNOLMF-KBRIMQKVSA-N 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Cc1cccc(CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000822303525 606888872 /nfs/dbraw/zinc/88/88/72/606888872.db2.gz DAQYOZMZWSZFDO-UHFFFAOYSA-N 0 1 379.392 1.974 20 0 GDADMN CCC1(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCOCC1 ZINC000820962244 606893471 /nfs/dbraw/zinc/89/34/71/606893471.db2.gz LEZCZULDYDVXDT-UHFFFAOYSA-N 0 1 387.412 1.630 20 0 GDADMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821267039 606893699 /nfs/dbraw/zinc/89/36/99/606893699.db2.gz JFHRWSVFHAJRJN-LLVKDONJSA-N 0 1 386.428 1.250 20 0 GDADMN CO[C@@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000821676999 606894348 /nfs/dbraw/zinc/89/43/48/606894348.db2.gz LWQQXSLLAKSCPQ-AWEZNQCLSA-N 0 1 395.391 1.811 20 0 GDADMN CCO[C@@H]1C[C@@H](N(C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821357758 606917361 /nfs/dbraw/zinc/91/73/61/606917361.db2.gz FLTUGNHFOUVEFL-IAGOWNOFSA-N 0 1 384.484 1.762 20 0 GDADMN C[C@@]1(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCCS1 ZINC000820618693 606933699 /nfs/dbraw/zinc/93/36/99/606933699.db2.gz MEPDHMFKHHHVQX-ZDUSSCGKSA-N 0 1 375.426 1.709 20 0 GDADMN COc1ccc(CN[C@@H](CCSC)C(=O)N(C)OC)cc1-c1nn[nH]n1 ZINC000821818006 607008010 /nfs/dbraw/zinc/00/80/10/607008010.db2.gz HGCSUGRGKQAURP-ZDUSSCGKSA-N 0 1 380.474 1.106 20 0 GDADMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821586017 607020505 /nfs/dbraw/zinc/02/05/05/607020505.db2.gz FZPHBZBRCAXTDE-UHFFFAOYSA-N 0 1 382.465 1.501 20 0 GDADMN COC(=O)[C@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1C ZINC000530340213 649970246 /nfs/dbraw/zinc/97/02/46/649970246.db2.gz NEVYPCKRKLOSGP-MFKMUULPSA-N 0 1 380.242 1.840 20 0 GDADMN COC1CCN(CCNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821679586 607055959 /nfs/dbraw/zinc/05/59/59/607055959.db2.gz DFAWGXCILPUTFN-UHFFFAOYSA-N 0 1 388.472 1.251 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000821701617 607167365 /nfs/dbraw/zinc/16/73/65/607167365.db2.gz WENHCQSJCOXZSF-GFCCVEGCSA-N 0 1 399.455 1.813 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000822200056 607167497 /nfs/dbraw/zinc/16/74/97/607167497.db2.gz SICFYCCWNIHZBQ-PXAZEXFGSA-N 0 1 380.456 1.614 20 0 GDADMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C[C@H]1N1CCOCC1 ZINC000820994811 607175013 /nfs/dbraw/zinc/17/50/13/607175013.db2.gz KYTKSPCNISVZHT-HDMKZQKVSA-N 0 1 399.499 1.236 20 0 GDADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000823161354 607192268 /nfs/dbraw/zinc/19/22/68/607192268.db2.gz NJTCDUXWYKAQHS-RBUKOAKNSA-N 0 1 392.463 1.480 20 0 GDADMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3Cl)CCO2)n[nH]1 ZINC000822414617 607203734 /nfs/dbraw/zinc/20/37/34/607203734.db2.gz NLRREVLBUDXJMN-LBPRGKRZSA-N 0 1 389.807 1.552 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000823123229 607207740 /nfs/dbraw/zinc/20/77/40/607207740.db2.gz TWKUSTXEDAFQFZ-LLVKDONJSA-N 0 1 379.384 1.006 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1cccnc1Oc1cccc(F)c1 ZINC000823131033 607208376 /nfs/dbraw/zinc/20/83/76/607208376.db2.gz BATJFAJULCVVQF-UHFFFAOYSA-N 0 1 395.358 1.101 20 0 GDADMN Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000822009862 607209425 /nfs/dbraw/zinc/20/94/25/607209425.db2.gz FNSVMVWABOZYEU-UHFFFAOYSA-N 0 1 391.439 1.654 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000821154069 607209471 /nfs/dbraw/zinc/20/94/71/607209471.db2.gz IIXQWIIKXIKSGJ-GOEBONIOSA-N 0 1 395.471 1.142 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000821154069 607209472 /nfs/dbraw/zinc/20/94/72/607209472.db2.gz IIXQWIIKXIKSGJ-GOEBONIOSA-N 0 1 395.471 1.142 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000821154069 607209473 /nfs/dbraw/zinc/20/94/73/607209473.db2.gz IIXQWIIKXIKSGJ-GOEBONIOSA-N 0 1 395.471 1.142 20 0 GDADMN Cc1cc(Cl)ccc1OCCCNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822202364 607210614 /nfs/dbraw/zinc/21/06/14/607210614.db2.gz WTUPSJPNQPMLEC-UHFFFAOYSA-N 0 1 376.808 1.005 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000823136122 607211076 /nfs/dbraw/zinc/21/10/76/607211076.db2.gz KXWZOLATMSFXAE-UHFFFAOYSA-N 0 1 388.804 1.269 20 0 GDADMN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820333811 607217804 /nfs/dbraw/zinc/21/78/04/607217804.db2.gz GQZRNXNIGBGKMD-NSHDSACASA-N 0 1 380.416 1.266 20 0 GDADMN CCCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000821083260 607218799 /nfs/dbraw/zinc/21/87/99/607218799.db2.gz WLPMNYZMMWSLDE-ZIAGYGMSSA-N 0 1 388.476 1.435 20 0 GDADMN C[C@H](CCNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000820242752 607220554 /nfs/dbraw/zinc/22/05/54/607220554.db2.gz QNLLPWPRTRYOLN-SNVBAGLBSA-N 0 1 394.361 1.787 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823126656 607224784 /nfs/dbraw/zinc/22/47/84/607224784.db2.gz LATWTLPAGWXRKN-LBPRGKRZSA-N 0 1 379.384 1.353 20 0 GDADMN Cc1ccc([C@@H](O)CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826284221 607815536 /nfs/dbraw/zinc/81/55/36/607815536.db2.gz NKZOKSFNIUKQID-KRWDZBQOSA-N 0 1 387.465 1.272 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826425193 607823571 /nfs/dbraw/zinc/82/35/71/607823571.db2.gz SZUMVCAEVCTTCS-UHFFFAOYSA-N 0 1 388.819 1.182 20 0 GDADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)c1ccccn1 ZINC000825865853 607970369 /nfs/dbraw/zinc/97/03/69/607970369.db2.gz NHSJBPYZGVCLQE-UHFFFAOYSA-N 0 1 387.469 1.014 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](SC)c2ccccc2)c1-c1nnn[n-]1 ZINC000826073338 608019403 /nfs/dbraw/zinc/01/94/03/608019403.db2.gz OKAGLJIEPTVFNM-AWEZNQCLSA-N 0 1 386.485 1.785 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](SC)c2ccccc2)c1-c1nn[n-]n1 ZINC000826073338 608019404 /nfs/dbraw/zinc/01/94/04/608019404.db2.gz OKAGLJIEPTVFNM-AWEZNQCLSA-N 0 1 386.485 1.785 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000826073388 608020362 /nfs/dbraw/zinc/02/03/62/608020362.db2.gz QDGARWOFGXLFBB-NSHDSACASA-N 0 1 384.444 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2ccc(OC)cc2)c1-c1nn[n-]n1 ZINC000826073388 608020363 /nfs/dbraw/zinc/02/03/63/608020363.db2.gz QDGARWOFGXLFBB-NSHDSACASA-N 0 1 384.444 1.493 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccccc2OC)c1-c1nnn[n-]1 ZINC000826077161 608021124 /nfs/dbraw/zinc/02/11/24/608021124.db2.gz BSVYSYPQASMXSD-GFCCVEGCSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000826077161 608021125 /nfs/dbraw/zinc/02/11/25/608021125.db2.gz BSVYSYPQASMXSD-GFCCVEGCSA-N 0 1 398.471 1.883 20 0 GDADMN Cc1cnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)nc1 ZINC000826318642 608033255 /nfs/dbraw/zinc/03/32/55/608033255.db2.gz TVYVUHQQJVZRSO-UHFFFAOYSA-N 0 1 393.411 1.535 20 0 GDADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CCN(C)[C@@H](C)C1 ZINC000824978944 608041773 /nfs/dbraw/zinc/04/17/73/608041773.db2.gz YNZCCUFPZRYBQK-WDEREUQCSA-N 0 1 375.502 1.380 20 0 GDADMN c1ccc2c(c1)CCCN2CCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826523743 608061744 /nfs/dbraw/zinc/06/17/44/608061744.db2.gz WSAHGGYYUHJDSN-UHFFFAOYSA-N 0 1 390.495 1.837 20 0 GDADMN O=C(c1cccc2n[nH]cc21)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826474634 608089944 /nfs/dbraw/zinc/08/99/44/608089944.db2.gz YJWWOUCJNCINGL-KRWDZBQOSA-N 0 1 375.392 1.957 20 0 GDADMN O=C(c1cccc2n[nH]cc21)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826474635 608089995 /nfs/dbraw/zinc/08/99/95/608089995.db2.gz YJWWOUCJNCINGL-QGZVFWFLSA-N 0 1 375.392 1.957 20 0 GDADMN C[C@H]1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCC1=O ZINC000824864544 608117064 /nfs/dbraw/zinc/11/70/64/608117064.db2.gz BUEBHXWCRQFZEW-WCQYABFASA-N 0 1 399.455 1.386 20 0 GDADMN CCOC(=O)c1ccc(N2CC(NCc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000825560309 608134420 /nfs/dbraw/zinc/13/44/20/608134420.db2.gz PECQKCKGFIVCCS-UHFFFAOYSA-N 0 1 379.424 1.417 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](CCO)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826229574 608194076 /nfs/dbraw/zinc/19/40/76/608194076.db2.gz JHOPZFJPCXFSJF-CYBMUJFWSA-N 0 1 386.437 1.543 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)[C@@H](Oc2ccccc2-c2nn[nH]n2)C(C)C)n[nH]1 ZINC000825740134 608204634 /nfs/dbraw/zinc/20/46/34/608204634.db2.gz OCFFIWOOEGEMFF-ABAIWWIYSA-N 0 1 384.444 1.828 20 0 GDADMN O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000826413188 608250100 /nfs/dbraw/zinc/25/01/00/608250100.db2.gz VMJAYAUXFRFDFJ-AWEZNQCLSA-N 0 1 393.455 1.680 20 0 GDADMN CC[N@H+]1C[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C[C@@H]1C ZINC000825444998 608254102 /nfs/dbraw/zinc/25/41/02/608254102.db2.gz UKRKXHMTHYNZES-UWVGGRQHSA-N 0 1 377.474 1.244 20 0 GDADMN CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@@H]1C ZINC000825444998 608254103 /nfs/dbraw/zinc/25/41/03/608254103.db2.gz UKRKXHMTHYNZES-UWVGGRQHSA-N 0 1 377.474 1.244 20 0 GDADMN CC[N@H+]1C[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@@H]1C ZINC000825444998 608254104 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CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)CC1 ZINC000908858694 939338742 /nfs/dbraw/zinc/33/87/42/939338742.db2.gz QGVJEBYYGPFFEM-LAUBAEHRSA-N 0 1 390.528 1.949 20 0 GDADMN Cc1cc(C)cc([C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])c1 ZINC000908987212 939366163 /nfs/dbraw/zinc/36/61/63/939366163.db2.gz JRIVVYGSJOWFLI-PKOBYXMFSA-N 0 1 388.512 1.897 20 0 GDADMN Cc1cc(C)cc([C@@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])c1 ZINC000908987212 939366166 /nfs/dbraw/zinc/36/61/66/939366166.db2.gz JRIVVYGSJOWFLI-PKOBYXMFSA-N 0 1 388.512 1.897 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000909070104 939377228 /nfs/dbraw/zinc/37/72/28/939377228.db2.gz RHWLNCHIGBMKOO-NRSFXHEJSA-N 0 1 375.469 1.686 20 0 GDADMN CC[NH+]1CCN(c2ccc(C(=O)N[C@]3(C(=O)[O-])CCSC3)cc2F)CC1 ZINC000909351962 939398674 /nfs/dbraw/zinc/39/86/74/939398674.db2.gz OCVKMWGWZOOJPG-GOSISDBHSA-N 0 1 381.473 1.658 20 0 GDADMN COc1cccc([C@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C(=O)[O-])c1 ZINC000909945195 939744981 /nfs/dbraw/zinc/74/49/81/939744981.db2.gz NVRFLPFEHZQASO-NRFANRHFSA-N 0 1 397.475 1.755 20 0 GDADMN Cc1nn(Cc2ccccc2)c(C)c1[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000911678569 939777341 /nfs/dbraw/zinc/77/73/41/939777341.db2.gz KNLWGDVSBHQNSW-FUHWJXTLSA-N 0 1 386.452 1.121 20 0 GDADMN Cc1nn(Cc2ccccc2)c(C)c1[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000911678569 939777343 /nfs/dbraw/zinc/77/73/43/939777343.db2.gz KNLWGDVSBHQNSW-FUHWJXTLSA-N 0 1 386.452 1.121 20 0 GDADMN O=C([O-])[C@@H](NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cc(F)ccc1F ZINC000929063145 939808941 /nfs/dbraw/zinc/80/89/41/939808941.db2.gz GWSWNTBUILOWAX-ZNMIVQPWSA-N 0 1 385.436 1.970 20 0 GDADMN CC[NH+]1CCN(CCCCNC(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)CC1 ZINC001119639165 939814931 /nfs/dbraw/zinc/81/49/31/939814931.db2.gz ZTOOXWNUPPOXNW-SFHVURJKSA-N 0 1 392.500 1.538 20 0 GDADMN COc1cccc([C@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])c1 ZINC001119638214 939815080 /nfs/dbraw/zinc/81/50/80/939815080.db2.gz ISOWAVALJIDIMZ-KRWDZBQOSA-N 0 1 378.473 1.148 20 0 GDADMN CC[NH+]1CCN(c2ccc(C(=O)NC3(C(=O)[O-])CCOCC3)cc2F)CC1 ZINC000663143416 939858550 /nfs/dbraw/zinc/85/85/50/939858550.db2.gz XNPWICXJZSXKDQ-UHFFFAOYSA-N 0 1 379.432 1.331 20 0 GDADMN O=C([O-])[C@@]1(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCOC1 ZINC000663266472 939859164 /nfs/dbraw/zinc/85/91/64/939859164.db2.gz LFJCXCPMUGPRCY-LAUBAEHRSA-N 0 1 387.480 1.832 20 0 GDADMN COc1ccccc1CN(CCO)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000737150744 944970974 /nfs/dbraw/zinc/97/09/74/944970974.db2.gz UJMKMNDOWVLDRG-QGZVFWFLSA-N 0 1 399.451 1.110 20 0 GDADMN COCC(=O)N1CCC([C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001571264395 945481261 /nfs/dbraw/zinc/48/12/61/945481261.db2.gz NTBGIXJDIUWMAK-OAHLLOKOSA-N 0 1 385.472 1.363 20 0 GDADMN Cc1cc(N2CCC(C)(NC(=O)C3CCOCC3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264507 945484934 /nfs/dbraw/zinc/48/49/34/945484934.db2.gz QFSAYOLYKCVEEC-UHFFFAOYSA-N 0 1 385.472 1.472 20 0 GDADMN CO[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571264702 945490415 /nfs/dbraw/zinc/49/04/15/945490415.db2.gz URKHYIJJMFBBFL-AYMQEEERSA-N 0 1 385.472 1.114 20 0 GDADMN Cc1cc(N[C@H]2CCCCCN(C(=O)[C@@H]3CCOC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266674 945549150 /nfs/dbraw/zinc/54/91/50/945549150.db2.gz WLMWDCLEKVDAQN-CABCVRRESA-N 0 1 385.472 1.212 20 0 GDADMN O=C(N[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCCO1)C2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571266799 945552847 /nfs/dbraw/zinc/55/28/47/945552847.db2.gz ZKKCXOAOUCSTDF-KSMMKXTCSA-N 0 1 385.472 1.348 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3ncc(F)cc3F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571267237 945564822 /nfs/dbraw/zinc/56/48/22/945564822.db2.gz NKSPVOYBUZZNOS-LLVKDONJSA-N 0 1 386.366 1.252 20 0 GDADMN COc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)on1 ZINC001571267751 945577068 /nfs/dbraw/zinc/57/70/68/945577068.db2.gz DCVFLJIGOLPCDC-VXGBXAGGSA-N 0 1 386.416 1.022 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571271582 945646536 /nfs/dbraw/zinc/64/65/36/945646536.db2.gz DXBFABUUIUCOKF-VXGBXAGGSA-N 0 1 386.485 1.160 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571271582 945646538 /nfs/dbraw/zinc/64/65/38/945646538.db2.gz DXBFABUUIUCOKF-VXGBXAGGSA-N 0 1 386.485 1.160 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)[nH]n1 ZINC001571271695 945648685 /nfs/dbraw/zinc/64/86/85/945648685.db2.gz HLFSATVZKTYTCC-HAQNSBGRSA-N 0 1 386.485 1.791 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)[nH]n1 ZINC001571271695 945648695 /nfs/dbraw/zinc/64/86/95/945648695.db2.gz HLFSATVZKTYTCC-HAQNSBGRSA-N 0 1 386.485 1.791 20 0 GDADMN Cc1c(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cnn1C ZINC001571271907 945653972 /nfs/dbraw/zinc/65/39/72/945653972.db2.gz MJTVWDJPRQPDPU-LBPRGKRZSA-N 0 1 386.485 1.365 20 0 GDADMN Cc1c(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cnn1C ZINC001571271907 945653976 /nfs/dbraw/zinc/65/39/76/945653976.db2.gz MJTVWDJPRQPDPU-LBPRGKRZSA-N 0 1 386.485 1.365 20 0 GDADMN C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CN1CCc1ccns1 ZINC001571272124 945656154 /nfs/dbraw/zinc/65/61/54/945656154.db2.gz PZGKOTUEXOWTGE-RYUDHWBXSA-N 0 1 386.485 1.477 20 0 GDADMN Cc1nnc(CN[C@@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571281137 945798190 /nfs/dbraw/zinc/79/81/90/945798190.db2.gz CNVNKRSRGLGSRM-VXGBXAGGSA-N 0 1 387.473 1.186 20 0 GDADMN Cc1nnc(CN[C@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571281136 945798210 /nfs/dbraw/zinc/79/82/10/945798210.db2.gz CNVNKRSRGLGSRM-RYUDHWBXSA-N 0 1 387.473 1.186 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNCc2nncs2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571281341 945801957 /nfs/dbraw/zinc/80/19/57/945801957.db2.gz GJNGRYTUVWSBMC-UMSPYCQHSA-N 0 1 387.473 1.125 20 0 GDADMN CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCC(NCc2nncs2)CC1 ZINC001571281430 945804019 /nfs/dbraw/zinc/80/40/19/945804019.db2.gz IPSJRENTJFEERE-UHFFFAOYSA-N 0 1 387.473 1.219 20 0 GDADMN Cc1nc(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)co1 ZINC001571281424 945805124 /nfs/dbraw/zinc/80/51/24/945805124.db2.gz IKBJLURILCFOFX-PWSUYJOCSA-N 0 1 387.469 1.865 20 0 GDADMN Cc1nc(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)co1 ZINC001571281424 945805136 /nfs/dbraw/zinc/80/51/36/945805136.db2.gz IKBJLURILCFOFX-PWSUYJOCSA-N 0 1 387.469 1.865 20 0 GDADMN Cc1nsc(NC[C@]2(C)CCN(C(=O)Cc3ccn[nH]3)C2)c1-c1nn[nH]n1 ZINC001571282178 945830876 /nfs/dbraw/zinc/83/08/76/945830876.db2.gz TUFFDLDVQHHUAS-INIZCTEOSA-N 0 1 387.473 1.248 20 0 GDADMN CCn1cc(Cl)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571283549 945885368 /nfs/dbraw/zinc/88/53/68/945885368.db2.gz GFWGERKNCPTNFI-NSHDSACASA-N 0 1 387.835 1.140 20 0 GDADMN Cc1cc(N(C)C[C@H]2CCCN(C(=O)CC(C)(C)O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571284714 945905804 /nfs/dbraw/zinc/90/58/04/945905804.db2.gz ULZPLCQLZCOAHD-CQSZACIVSA-N 0 1 387.488 1.406 20 0 GDADMN C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571285059 945911340 /nfs/dbraw/zinc/91/13/40/945911340.db2.gz XSOKTIATMJNFPV-UWVGGRQHSA-N 0 1 387.835 1.426 20 0 GDADMN O=C(NC[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1cnns1 ZINC001571287664 945977667 /nfs/dbraw/zinc/97/76/67/945977667.db2.gz HFPDSYWPXSTSKT-SNVBAGLBSA-N 0 1 388.432 1.109 20 0 GDADMN C[C@H]1OCC[C@@H]1C(=O)NC1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288710 945989889 /nfs/dbraw/zinc/98/98/89/945989889.db2.gz RJQNYLVZJZNOHH-WBMJQRKESA-N 0 1 388.447 1.511 20 0 GDADMN C[C@H]1OCC[C@H]1C(=O)NC1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571288709 945990134 /nfs/dbraw/zinc/99/01/34/945990134.db2.gz RJQNYLVZJZNOHH-MLGOLLRUSA-N 0 1 388.447 1.511 20 0 GDADMN O=C(c1cccc2c1CCC2)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571289326 946000119 /nfs/dbraw/zinc/00/01/19/946000119.db2.gz ZREPCCSSJZYKHF-KBPBESRZSA-N 0 1 388.435 1.249 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000822217371 946000495 /nfs/dbraw/zinc/00/04/95/946000495.db2.gz CFPGVKPLHHOGLP-UHFFFAOYSA-N 0 1 393.432 1.812 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)s1)C1CCOCC1 ZINC001571289705 946014585 /nfs/dbraw/zinc/01/45/85/946014585.db2.gz KSDLSSJLILNFRA-SNPRPXQTSA-N 0 1 388.497 1.576 20 0 GDADMN O=C(N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1(F)CCCCC1 ZINC001571289659 946016221 /nfs/dbraw/zinc/01/62/21/946016221.db2.gz JNOVHPULKLVDEH-CYBMUJFWSA-N 0 1 388.451 1.402 20 0 GDADMN CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCOCC1 ZINC001571289805 946018814 /nfs/dbraw/zinc/01/88/14/946018814.db2.gz MXWSBKCHBIDVQJ-NHAGDIPZSA-N 0 1 388.497 1.291 20 0 GDADMN CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)CCOCC1 ZINC001571289805 946018818 /nfs/dbraw/zinc/01/88/18/946018818.db2.gz MXWSBKCHBIDVQJ-NHAGDIPZSA-N 0 1 388.497 1.291 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000822614967 946139865 /nfs/dbraw/zinc/13/98/65/946139865.db2.gz YFHOTDSARPYMMJ-AWEZNQCLSA-N 0 1 381.444 1.386 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000822614967 946139867 /nfs/dbraw/zinc/13/98/67/946139867.db2.gz YFHOTDSARPYMMJ-AWEZNQCLSA-N 0 1 381.444 1.386 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000822614967 946139876 /nfs/dbraw/zinc/13/98/76/946139876.db2.gz YFHOTDSARPYMMJ-AWEZNQCLSA-N 0 1 381.444 1.386 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000822614967 946139881 /nfs/dbraw/zinc/13/98/81/946139881.db2.gz YFHOTDSARPYMMJ-AWEZNQCLSA-N 0 1 381.444 1.386 20 0 GDADMN O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@H]1CC1(F)F ZINC001571295282 946159504 /nfs/dbraw/zinc/15/95/04/946159504.db2.gz WAZLYRAQELDCBQ-DSYKOEDSSA-N 0 1 389.819 1.939 20 0 GDADMN O=C(c1ccc(C2CC2)cc1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571297962 946200437 /nfs/dbraw/zinc/20/04/37/946200437.db2.gz FQPHNXCJLWAJNO-INIZCTEOSA-N 0 1 390.451 1.673 20 0 GDADMN Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2-c2nn[nH]n2)ncn1 ZINC001571298552 946223061 /nfs/dbraw/zinc/22/30/61/946223061.db2.gz GVACPXMJAVAKLY-HFTRVMKXSA-N 0 1 390.451 1.500 20 0 GDADMN CN(C(=O)c1cccc2c1CCC2)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571298958 946236296 /nfs/dbraw/zinc/23/62/96/946236296.db2.gz MJLXUWJDLMAGBP-CQSZACIVSA-N 0 1 390.451 1.496 20 0 GDADMN O=C(Nc1c[nH]nc1-c1nn[nH]n1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001571299056 946237286 /nfs/dbraw/zinc/23/72/86/946237286.db2.gz IAPGATNCFBDEBQ-SSDOTTSWSA-N 0 1 390.766 1.374 20 0 GDADMN Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299159 946241947 /nfs/dbraw/zinc/24/19/47/946241947.db2.gz JEQWMPSFOKRCSR-AVGNSLFASA-N 0 1 390.517 1.280 20 0 GDADMN Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299159 946241960 /nfs/dbraw/zinc/24/19/60/946241960.db2.gz JEQWMPSFOKRCSR-AVGNSLFASA-N 0 1 390.517 1.280 20 0 GDADMN O=C(c1sccc1Cl)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571299350 946248307 /nfs/dbraw/zinc/24/83/07/946248307.db2.gz LKPBCQXHFNIHNF-SECBINFHSA-N 0 1 390.860 1.510 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCCCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299366 946249506 /nfs/dbraw/zinc/24/95/06/946249506.db2.gz LRCLWKMIQVGCFO-ZFWWWQNUSA-N 0 1 390.513 1.968 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCCCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299366 946249514 /nfs/dbraw/zinc/24/95/14/946249514.db2.gz LRCLWKMIQVGCFO-ZFWWWQNUSA-N 0 1 390.513 1.968 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001571299676 946258226 /nfs/dbraw/zinc/25/82/26/946258226.db2.gz OLIDTLXGUDWPCD-HNNXBMFYSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001571299676 946258233 /nfs/dbraw/zinc/25/82/33/946258233.db2.gz OLIDTLXGUDWPCD-HNNXBMFYSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001571299676 946258241 /nfs/dbraw/zinc/25/82/41/946258241.db2.gz OLIDTLXGUDWPCD-HNNXBMFYSA-N 0 1 390.513 1.920 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001571299676 946258250 /nfs/dbraw/zinc/25/82/50/946258250.db2.gz OLIDTLXGUDWPCD-HNNXBMFYSA-N 0 1 390.513 1.920 20 0 GDADMN C[C@](O)(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571300104 946272431 /nfs/dbraw/zinc/27/24/31/946272431.db2.gz UXSUZGSLKFNGGE-SGTLLEGYSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@](O)(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571300104 946272442 /nfs/dbraw/zinc/27/24/42/946272442.db2.gz UXSUZGSLKFNGGE-SGTLLEGYSA-N 0 1 390.513 1.417 20 0 GDADMN Cc1nsc(N2C[C@@H](NC(=O)[C@H]3CCCN3C)C(C)(C)C2)c1-c1nn[nH]n1 ZINC001571300084 946272685 /nfs/dbraw/zinc/27/26/85/946272685.db2.gz UGRSMPUHFPSYKH-VXGBXAGGSA-N 0 1 390.517 1.057 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571300179 946273898 /nfs/dbraw/zinc/27/38/98/946273898.db2.gz WIXLLGCVMISWTA-KGLIPLIRSA-N 0 1 390.513 1.683 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571300179 946273906 /nfs/dbraw/zinc/27/39/06/946273906.db2.gz WIXLLGCVMISWTA-KGLIPLIRSA-N 0 1 390.513 1.683 20 0 GDADMN Cc1cc(N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303891 946350502 /nfs/dbraw/zinc/35/05/02/946350502.db2.gz SCLSPRNLUNJRPX-GOSISDBHSA-N 0 1 391.435 1.222 20 0 GDADMN CCc1ccc(CCN2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC001571306160 946390829 /nfs/dbraw/zinc/39/08/29/946390829.db2.gz HZSSYIBUFYQSJS-ROUUACIJSA-N 0 1 391.479 1.899 20 0 GDADMN CC1(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)CC(F)(F)C1 ZINC001571309196 946442116 /nfs/dbraw/zinc/44/21/16/946442116.db2.gz XJVZLYIAENKTSA-SNVBAGLBSA-N 0 1 392.414 1.163 20 0 GDADMN O=S(=O)(CCN1CCC[C@H](N2CCCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823563009 946447686 /nfs/dbraw/zinc/44/76/86/946447686.db2.gz YQBIHOONNVGSHG-INIZCTEOSA-N 0 1 390.513 1.201 20 0 GDADMN CCN(C(=O)c1nccc(C)n1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571313533 946525784 /nfs/dbraw/zinc/52/57/84/946525784.db2.gz RCFUIELKTAVNTR-QGZVFWFLSA-N 0 1 392.467 1.702 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1cccc(N(C)C)c1 ZINC001571313845 946534588 /nfs/dbraw/zinc/53/45/88/946534588.db2.gz XDJFQUPJCJAMJH-DZGCQCFKSA-N 0 1 392.467 1.465 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)c1cccc(N(C)C)c1 ZINC001571313848 946535565 /nfs/dbraw/zinc/53/55/65/946535565.db2.gz XDJFQUPJCJAMJH-UKRRQHHQSA-N 0 1 392.467 1.465 20 0 GDADMN CCc1ccc(CC(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nc1 ZINC001571314036 946540694 /nfs/dbraw/zinc/54/06/94/946540694.db2.gz YYGKBAHDXSKJGF-XJKSGUPXSA-N 0 1 392.467 1.285 20 0 GDADMN Cc1cc(N2CC[C@@H]3CN(C(=O)c4cccn4C)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314721 946543310 /nfs/dbraw/zinc/54/33/10/946543310.db2.gz BERNMBGHNLPOSX-CABCVRRESA-N 0 1 392.467 1.507 20 0 GDADMN Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(C)c(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314899 946544730 /nfs/dbraw/zinc/54/47/30/946544730.db2.gz DABSOOCBOSEOSG-UKRRQHHQSA-N 0 1 392.467 1.719 20 0 GDADMN Cc1cccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)c1C ZINC001571315443 946553346 /nfs/dbraw/zinc/55/33/46/946553346.db2.gz KXSPRIZBTYOQQV-OAHLLOKOSA-N 0 1 392.467 1.658 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@](C)(CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571315625 946554715 /nfs/dbraw/zinc/55/47/15/946554715.db2.gz MLMIBUFFKRIJLG-HXUWFJFHSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@](C)(CNc3ccncc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571315867 946560462 /nfs/dbraw/zinc/56/04/62/946560462.db2.gz QFAQFRZPOPGRME-FQEVSTJZSA-N 0 1 392.467 1.660 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)[C@H]2C)nn1 ZINC001571316069 946564040 /nfs/dbraw/zinc/56/40/40/946564040.db2.gz SYADUNMUVUKQQI-YOEHRIQHSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1cc(C)c(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)c(C)n1 ZINC001571316119 946566969 /nfs/dbraw/zinc/56/69/69/946566969.db2.gz UMMWWYRJPMCVCK-HNNXBMFYSA-N 0 1 392.467 1.721 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)Cc3ccncc3C)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316275 946571505 /nfs/dbraw/zinc/57/15/05/946571505.db2.gz YEQBGFBTZPNLIC-WMLDXEAASA-N 0 1 392.467 1.339 20 0 GDADMN Cc1ccnc(C(=O)N[C@@H]2CC[C@H](C)N(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316469 946575901 /nfs/dbraw/zinc/57/59/01/946575901.db2.gz DAVCIUKMPPLAKH-WMLDXEAASA-N 0 1 392.467 1.748 20 0 GDADMN Cc1ccccc1CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571316535 946578776 /nfs/dbraw/zinc/57/87/76/946578776.db2.gz FVKUFTXULVEFAP-HOCLYGCPSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1ncncc1C(=O)NC[C@@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571316502 946580344 /nfs/dbraw/zinc/58/03/44/946580344.db2.gz DTBHEOZTRXEYNM-KRWDZBQOSA-N 0 1 392.467 1.750 20 0 GDADMN Cn1cccc1C(=O)N1C[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C1 ZINC001571316871 946588942 /nfs/dbraw/zinc/58/89/42/946588942.db2.gz ORUNYCDQDSSOGL-BPUTZDHNSA-N 0 1 392.467 1.375 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCCC2 ZINC001571317045 946599379 /nfs/dbraw/zinc/59/93/79/946599379.db2.gz SWAHGZNUIVVXBC-MRXNPFEDSA-N 0 1 392.467 1.404 20 0 GDADMN CCN1C[C@H](NS(=O)(=O)Cc2c(C)cc(-c3nn[nH]n3)cc2C)C(C)(C)C1 ZINC001571317417 946608866 /nfs/dbraw/zinc/60/88/66/946608866.db2.gz HFUBXGRPXPUHCB-INIZCTEOSA-N 0 1 392.529 1.633 20 0 GDADMN O=C(c1cccc(=O)[nH]1)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571317454 946611293 /nfs/dbraw/zinc/61/12/93/946611293.db2.gz IVALTOARUIVSIW-ZETCQYMHSA-N 0 1 392.832 1.404 20 0 GDADMN Brc1cnccc1CNCCNc1ccc(-c2nn[nH]n2)cn1 ZINC001573281156 946672726 /nfs/dbraw/zinc/67/27/26/946672726.db2.gz VKUYZZMHECTJHN-UHFFFAOYSA-N 0 1 375.234 1.621 20 0 GDADMN C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000824626514 946873483 /nfs/dbraw/zinc/87/34/83/946873483.db2.gz PLBTWRCNEZVMSF-ZDUSSCGKSA-N 0 1 386.481 1.968 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573585868 947271232 /nfs/dbraw/zinc/27/12/32/947271232.db2.gz JADHCCHPSQFFGO-NWDGAFQWSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573585868 947271236 /nfs/dbraw/zinc/27/12/36/947271236.db2.gz JADHCCHPSQFFGO-NWDGAFQWSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573591533 947311706 /nfs/dbraw/zinc/31/17/06/947311706.db2.gz CJZOUSZXLSMWCA-OLZOCXBDSA-N 0 1 375.477 1.199 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000327045022 971360321 /nfs/dbraw/zinc/36/03/21/971360321.db2.gz XNHUPVUHOLIZGN-OLZOCXBDSA-N 0 1 388.873 1.952 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573592952 947356613 /nfs/dbraw/zinc/35/66/13/947356613.db2.gz GSXLTCYKSRTGMO-DYVFJYSZSA-N 0 1 380.456 1.395 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573593127 947360925 /nfs/dbraw/zinc/36/09/25/947360925.db2.gz QIWVUDIUNGVYRT-CYBMUJFWSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1ccco1 ZINC001573595013 947413419 /nfs/dbraw/zinc/41/34/19/947413419.db2.gz WKCHBQYFVUVBAS-LRDDRELGSA-N 0 1 381.440 1.729 20 0 GDADMN C[C@@H](C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1)n1cnc(-c2nn[nH]n2)n1 ZINC001573602905 947474417 /nfs/dbraw/zinc/47/44/17/947474417.db2.gz BIEQDRMPZSRJML-NSHDSACASA-N 0 1 378.400 1.068 20 0 GDADMN C[C@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573613456 947562449 /nfs/dbraw/zinc/56/24/49/947562449.db2.gz APUFFIYYNJMXKW-MEBBXXQBSA-N 0 1 383.378 1.533 20 0 GDADMN COc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)c(C)c1F ZINC000826211762 947618929 /nfs/dbraw/zinc/61/89/29/947618929.db2.gz SUTIGABFXCHXBE-UHFFFAOYSA-N 0 1 379.373 1.829 20 0 GDADMN C/C(=C/C(=O)N1CCC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C1CC1 ZINC001573362782 947705563 /nfs/dbraw/zinc/70/55/63/947705563.db2.gz LLIIDYXPBHITGJ-JEMSNHSXSA-N 0 1 381.484 1.999 20 0 GDADMN C/C(=C\C(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C1CC1 ZINC001573364970 947726612 /nfs/dbraw/zinc/72/66/12/947726612.db2.gz RZQITYKDQDQBRZ-ZTVSIKPCSA-N 0 1 381.484 1.999 20 0 GDADMN CC(=O)CCCC(=O)N(C)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573367157 947755694 /nfs/dbraw/zinc/75/56/94/947755694.db2.gz YFWKMVNSPKDWOZ-UHFFFAOYSA-N 0 1 386.460 1.019 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1)C(C)(F)F ZINC001573629014 947769859 /nfs/dbraw/zinc/76/98/59/947769859.db2.gz QDRXXTNZZGYFFV-RYUDHWBXSA-N 0 1 379.415 1.980 20 0 GDADMN Cc1cc(CC(=O)Nc2ccn(-c3ccc(-c4nn[nH]n4)cc3Cl)n2)n[nH]1 ZINC000826266700 947770009 /nfs/dbraw/zinc/77/00/09/947770009.db2.gz YBIQHKIFGCEPQQ-UHFFFAOYSA-N 0 1 383.803 1.919 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573629091 947771820 /nfs/dbraw/zinc/77/18/20/947771820.db2.gz MADLJBJWHNCMQP-UKRRQHHQSA-N 0 1 378.440 1.285 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573369544 947774847 /nfs/dbraw/zinc/77/48/47/947774847.db2.gz UKOSQXOLWYKOEK-MRXNPFEDSA-N 0 1 385.472 1.400 20 0 GDADMN CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573373562 947794825 /nfs/dbraw/zinc/79/48/25/947794825.db2.gz DPFIPYLZARTWSN-ACJLOTCBSA-N 0 1 384.444 1.034 20 0 GDADMN C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573630750 947795530 /nfs/dbraw/zinc/79/55/30/947795530.db2.gz RXBMBEDDXDQCBS-MCIONIFRSA-N 0 1 384.488 1.909 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573637706 947821122 /nfs/dbraw/zinc/82/11/22/947821122.db2.gz NWCHRMUXRZTMNC-OAHLLOKOSA-N 0 1 380.456 1.359 20 0 GDADMN CC(=O)CCCC(=O)NC1(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CCCC1 ZINC001573376885 947843938 /nfs/dbraw/zinc/84/39/38/947843938.db2.gz ZXHKQZNVFAHKMB-UHFFFAOYSA-N 0 1 385.472 1.592 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573639729 947847813 /nfs/dbraw/zinc/84/78/13/947847813.db2.gz BTLJNXQBHUTSHX-VXGBXAGGSA-N 0 1 382.403 1.034 20 0 GDADMN CC(=O)CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573377731 947852985 /nfs/dbraw/zinc/85/29/85/947852985.db2.gz RRXXFFZMNOPLOP-ZDUSSCGKSA-N 0 1 392.485 1.005 20 0 GDADMN CC(=O)CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573377731 947852989 /nfs/dbraw/zinc/85/29/89/947852989.db2.gz RRXXFFZMNOPLOP-ZDUSSCGKSA-N 0 1 392.485 1.005 20 0 GDADMN Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826299268 947865400 /nfs/dbraw/zinc/86/54/00/947865400.db2.gz XSZYMEWPDXIBGF-ZDUSSCGKSA-N 0 1 397.487 1.680 20 0 GDADMN Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826299268 947865405 /nfs/dbraw/zinc/86/54/05/947865405.db2.gz XSZYMEWPDXIBGF-ZDUSSCGKSA-N 0 1 397.487 1.680 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573381500 947874267 /nfs/dbraw/zinc/87/42/67/947874267.db2.gz WKWNBTLMKCUJKE-UKRRQHHQSA-N 0 1 385.472 1.803 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573383848 947897409 /nfs/dbraw/zinc/89/74/09/947897409.db2.gz YCXNAXPZAZTYAA-LSDHHAIUSA-N 0 1 385.472 1.448 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C1CCC1 ZINC001573652001 947927441 /nfs/dbraw/zinc/92/74/41/947927441.db2.gz UEZVQVBJPODGRP-IMJJTQAJSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CCC1 ZINC001573653280 947955636 /nfs/dbraw/zinc/95/56/36/947955636.db2.gz KIKLBEZAGZUBAJ-SWLSCSKDSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](C(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)C(C)(F)F ZINC001573654250 947963014 /nfs/dbraw/zinc/96/30/14/947963014.db2.gz QGCCWAUHBLHJCI-HWPZZCPQSA-N 0 1 379.415 1.672 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343461 947991575 /nfs/dbraw/zinc/99/15/75/947991575.db2.gz BMWYJJZZEMGENX-HNNXBMFYSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343461 947991577 /nfs/dbraw/zinc/99/15/77/947991577.db2.gz BMWYJJZZEMGENX-HNNXBMFYSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343461 947991583 /nfs/dbraw/zinc/99/15/83/947991583.db2.gz BMWYJJZZEMGENX-HNNXBMFYSA-N 0 1 381.440 1.439 20 0 GDADMN Cc1onc(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343461 947991590 /nfs/dbraw/zinc/99/15/90/947991590.db2.gz BMWYJJZZEMGENX-HNNXBMFYSA-N 0 1 381.440 1.439 20 0 GDADMN C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CCC1 ZINC001573661764 948020220 /nfs/dbraw/zinc/02/02/20/948020220.db2.gz AFZLZFTXLSYKHR-PTAUBWNISA-N 0 1 382.472 1.711 20 0 GDADMN C[C@H](C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573664817 948062602 /nfs/dbraw/zinc/06/26/02/948062602.db2.gz GYGNRQUUNZAHIP-WLYUNCDWSA-N 0 1 380.456 1.586 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1-c1nnn[n-]1 ZINC000826348253 948070094 /nfs/dbraw/zinc/07/00/94/948070094.db2.gz DDTRWZVNBMXHFG-UHFFFAOYSA-N 0 1 396.455 1.486 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1-c1nnn[n-]1 ZINC000826348253 948070103 /nfs/dbraw/zinc/07/01/03/948070103.db2.gz DDTRWZVNBMXHFG-UHFFFAOYSA-N 0 1 396.455 1.486 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1-c1nn[n-]n1 ZINC000826348253 948070115 /nfs/dbraw/zinc/07/01/15/948070115.db2.gz DDTRWZVNBMXHFG-UHFFFAOYSA-N 0 1 396.455 1.486 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1-c1nn[n-]n1 ZINC000826348253 948070123 /nfs/dbraw/zinc/07/01/23/948070123.db2.gz DDTRWZVNBMXHFG-UHFFFAOYSA-N 0 1 396.455 1.486 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1-c1nnn[n-]1 ZINC000826348504 948076592 /nfs/dbraw/zinc/07/65/92/948076592.db2.gz PQDVTPKJMPRKJV-UHFFFAOYSA-N 0 1 398.427 1.235 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1-c1nn[n-]n1 ZINC000826348504 948076602 /nfs/dbraw/zinc/07/66/02/948076602.db2.gz PQDVTPKJMPRKJV-UHFFFAOYSA-N 0 1 398.427 1.235 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573670685 948103931 /nfs/dbraw/zinc/10/39/31/948103931.db2.gz CVKZTXJLMXQBKG-DYVFJYSZSA-N 0 1 380.456 1.094 20 0 GDADMN C[C@@H](C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccs1 ZINC001573675235 948121520 /nfs/dbraw/zinc/12/15/20/948121520.db2.gz PIPDBRBFPWCFIB-LLVKDONJSA-N 0 1 384.469 1.607 20 0 GDADMN C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1)C1CC1 ZINC001573681290 948199201 /nfs/dbraw/zinc/19/92/01/948199201.db2.gz UMUKAUFYQGFCOG-DOMZBBRYSA-N 0 1 378.440 1.394 20 0 GDADMN C[C@@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573681934 948216987 /nfs/dbraw/zinc/21/69/87/948216987.db2.gz ZHHHFKATVQCXJQ-WCQYABFASA-N 0 1 378.452 1.255 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573690572 948226316 /nfs/dbraw/zinc/22/63/16/948226316.db2.gz DSZVCYINPYQKMP-ABAIWWIYSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573703576 948357868 /nfs/dbraw/zinc/35/78/68/948357868.db2.gz LBVJICKADIPHFU-LSDHHAIUSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573703864 948361315 /nfs/dbraw/zinc/36/13/15/948361315.db2.gz NFBXHHPSUWSSAC-WDEREUQCSA-N 0 1 380.403 1.281 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573704020 948361674 /nfs/dbraw/zinc/36/16/74/948361674.db2.gz NZYMWYODTWBUFH-VHSXEESVSA-N 0 1 384.366 1.188 20 0 GDADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573714554 948474930 /nfs/dbraw/zinc/47/49/30/948474930.db2.gz ICYIDKKIOPRSSW-OLZOCXBDSA-N 0 1 382.428 1.386 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573714991 948479815 /nfs/dbraw/zinc/47/98/15/948479815.db2.gz MMTSQUZJEJMOSM-HUUCEWRRSA-N 0 1 380.456 1.657 20 0 GDADMN C[C@@H](C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001573716906 948502188 /nfs/dbraw/zinc/50/21/88/948502188.db2.gz JOZBZOXJZQMVGB-NWDGAFQWSA-N 0 1 384.419 1.328 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)[C@H]1CCCO1 ZINC001573719752 948528736 /nfs/dbraw/zinc/52/87/36/948528736.db2.gz OYDBBHKNZYPRLW-DTWKUNHWSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)[C@@H]1CCCO1 ZINC001573721565 948540064 /nfs/dbraw/zinc/54/00/64/948540064.db2.gz YJQLAWVTJHUBLR-WFASDCNBSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)c1ccco1 ZINC001573728918 948563943 /nfs/dbraw/zinc/56/39/43/948563943.db2.gz RHCMXWAOLMDHLK-HZSPNIEDSA-N 0 1 381.440 1.847 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001573736506 948616647 /nfs/dbraw/zinc/61/66/47/948616647.db2.gz YWAOFNJDIABUKE-WMLDXEAASA-N 0 1 380.456 1.405 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)C1CCC1 ZINC001573753951 948722558 /nfs/dbraw/zinc/72/25/58/948722558.db2.gz YOSBKNLMEGXTOV-CITFOPHVSA-N 0 1 384.459 1.988 20 0 GDADMN CC(C)[C@@H](F)C(=O)N1CCC2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001574075643 948747908 /nfs/dbraw/zinc/74/79/08/948747908.db2.gz XWFOOEBMRODZKK-CQSZACIVSA-N 0 1 388.451 1.470 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)cc1 ZINC001574416510 948749412 /nfs/dbraw/zinc/74/94/12/948749412.db2.gz VYQBBGCDJPOLBB-HNNXBMFYSA-N 0 1 381.440 1.010 20 0 GDADMN C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574914844 948757613 /nfs/dbraw/zinc/75/76/13/948757613.db2.gz NXNUMWGQKAXVHG-LLVKDONJSA-N 0 1 386.847 1.281 20 0 GDADMN CC(C)c1cccc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001574418666 948780778 /nfs/dbraw/zinc/78/07/78/948780778.db2.gz ZKUJHHUIUAWLFG-UHFFFAOYSA-N 0 1 379.428 1.138 20 0 GDADMN CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575224737 948792588 /nfs/dbraw/zinc/79/25/88/948792588.db2.gz YFBOAQQFDIJYTE-LLVKDONJSA-N 0 1 392.414 1.425 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574080878 948804429 /nfs/dbraw/zinc/80/44/29/948804429.db2.gz UUWNEVSYBBDCIL-CLWVCHIJSA-N 0 1 376.411 1.546 20 0 GDADMN C[C@H](CNC(=O)CCc1cnccn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574917109 948806922 /nfs/dbraw/zinc/80/69/22/948806922.db2.gz RGHCCLIYCSBCBD-GFCCVEGCSA-N 0 1 384.419 1.023 20 0 GDADMN CC(C)c1cnc(CNC2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)o1 ZINC001574424083 948839465 /nfs/dbraw/zinc/83/94/65/948839465.db2.gz DXTHBWKEGVWZSG-UHFFFAOYSA-N 0 1 384.444 1.701 20 0 GDADMN CC[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001589565692 948865136 /nfs/dbraw/zinc/86/51/36/948865136.db2.gz ZBZKENMDFIDWRR-SQGPQFPESA-N 0 1 376.453 1.416 20 0 GDADMN CC[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001589565692 948865150 /nfs/dbraw/zinc/86/51/50/948865150.db2.gz ZBZKENMDFIDWRR-SQGPQFPESA-N 0 1 376.453 1.416 20 0 GDADMN CC(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cs1 ZINC001574426624 948892871 /nfs/dbraw/zinc/89/28/71/948892871.db2.gz TYGYFCJQGRTBSP-XYPYZODXSA-N 0 1 384.469 1.636 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573765549 948911761 /nfs/dbraw/zinc/91/17/61/948911761.db2.gz NFOAXHKFFNEFKL-HNNXBMFYSA-N 0 1 392.467 1.459 20 0 GDADMN CC(F)(F)CCC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575236061 948935217 /nfs/dbraw/zinc/93/52/17/948935217.db2.gz UHTGRBZQLZJMIM-UHFFFAOYSA-N 0 1 380.403 1.567 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574432473 948935356 /nfs/dbraw/zinc/93/53/56/948935356.db2.gz KJHXBEHEJSZUIL-MRXNPFEDSA-N 0 1 392.467 1.784 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574432472 948936185 /nfs/dbraw/zinc/93/61/85/948936185.db2.gz KJHXBEHEJSZUIL-INIZCTEOSA-N 0 1 392.467 1.784 20 0 GDADMN CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575236169 948938535 /nfs/dbraw/zinc/93/85/35/948938535.db2.gz WTHJPVUDTQYMJX-NSHDSACASA-N 0 1 380.403 1.307 20 0 GDADMN CC(C)(C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573771900 948948868 /nfs/dbraw/zinc/94/88/68/948948868.db2.gz NWROHGYJFJEYSL-UHFFFAOYSA-N 0 1 392.467 1.363 20 0 GDADMN CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001573772610 948965088 /nfs/dbraw/zinc/96/50/88/948965088.db2.gz WCJWFPXPXLBDRG-HNNXBMFYSA-N 0 1 392.467 1.363 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)C1CC1 ZINC001573773271 948976096 /nfs/dbraw/zinc/97/60/96/948976096.db2.gz IXWZVYPFALGDPC-ZIAGYGMSSA-N 0 1 390.513 1.416 20 0 GDADMN CC(C)[C@H]1C[C@H](C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)CCO1 ZINC001574091745 949031757 /nfs/dbraw/zinc/03/17/57/949031757.db2.gz LQVVJMUAMAQNAA-RHSMWYFYSA-N 0 1 387.488 1.608 20 0 GDADMN CC(C)(C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573779230 949052754 /nfs/dbraw/zinc/05/27/54/949052754.db2.gz DROJOGAEODBGQC-GOSISDBHSA-N 0 1 390.513 1.417 20 0 GDADMN CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573779230 949052776 /nfs/dbraw/zinc/05/27/76/949052776.db2.gz DROJOGAEODBGQC-GOSISDBHSA-N 0 1 390.513 1.417 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573779863 949073808 /nfs/dbraw/zinc/07/38/08/949073808.db2.gz OEQPBMVZPFKNIV-CQSZACIVSA-N 0 1 392.467 1.577 20 0 GDADMN CC(C)c1occc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001574446274 949123886 /nfs/dbraw/zinc/12/38/86/949123886.db2.gz MOYGHOVMDQDUAI-YPMHNXCESA-N 0 1 382.428 1.770 20 0 GDADMN C[C@@H](NC(=O)[C@@H](C)n1cccc1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251057 949125746 /nfs/dbraw/zinc/12/57/46/949125746.db2.gz KQCICGQKSUIRHC-CHWSQXEVSA-N 0 1 385.497 1.927 20 0 GDADMN C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[NH+]1CCCC1 ZINC001574696233 949126024 /nfs/dbraw/zinc/12/60/24/949126024.db2.gz OCIOYTBHYSTTJK-VIFPVBQESA-N 0 1 384.897 1.379 20 0 GDADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cccnc1 ZINC001573787122 949168825 /nfs/dbraw/zinc/16/88/25/949168825.db2.gz MKNGOYOITNNOPN-QLPKVWCKSA-N 0 1 390.451 1.185 20 0 GDADMN C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001575252699 949170881 /nfs/dbraw/zinc/17/08/81/949170881.db2.gz GWWQQYMKPQPLLC-OLZOCXBDSA-N 0 1 387.463 1.939 20 0 GDADMN C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574934765 949175124 /nfs/dbraw/zinc/17/51/24/949175124.db2.gz QCVUDNMESFRNRD-LBPRGKRZSA-N 0 1 385.403 1.066 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574698350 949186458 /nfs/dbraw/zinc/18/64/58/949186458.db2.gz JKJWTXYESKMDFC-XJKSGUPXSA-N 0 1 383.431 1.523 20 0 GDADMN CC(C)c1ocnc1CN[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574448404 949187079 /nfs/dbraw/zinc/18/70/79/949187079.db2.gz KUWKVFSBBYQHQL-AULYBMBSSA-N 0 1 384.444 1.604 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574935298 949194494 /nfs/dbraw/zinc/19/44/94/949194494.db2.gz ACKOJHXFUFGJEU-SECBINFHSA-N 0 1 390.810 1.030 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935362 949202207 /nfs/dbraw/zinc/20/22/07/949202207.db2.gz AUNTZDFWQSHAPC-JTQLQIEISA-N 0 1 388.382 1.119 20 0 GDADMN CC(C)c1ocnc1CNC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574449917 949206849 /nfs/dbraw/zinc/20/68/49/949206849.db2.gz VVMGYSAOXJYPNN-GFCCVEGCSA-N 0 1 384.444 1.558 20 0 GDADMN CC(C)c1oncc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574450283 949212071 /nfs/dbraw/zinc/21/20/71/949212071.db2.gz ZAYJXUHXVJRDGP-UHFFFAOYSA-N 0 1 385.432 1.367 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574936607 949214496 /nfs/dbraw/zinc/21/44/96/949214496.db2.gz JJWURSDOGFFKKQ-VIFPVBQESA-N 0 1 390.810 1.030 20 0 GDADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575254758 949216335 /nfs/dbraw/zinc/21/63/35/949216335.db2.gz XNAXUKJQUKYJSD-OLZOCXBDSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC001574698913 949217084 /nfs/dbraw/zinc/21/70/84/949217084.db2.gz PYFRZUHGXLZWLE-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001574698913 949217104 /nfs/dbraw/zinc/21/71/04/949217104.db2.gz PYFRZUHGXLZWLE-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN CC1(c2ccccc2C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575856198 949245246 /nfs/dbraw/zinc/24/52/46/949245246.db2.gz DPOSRJXAZQCRHP-BETUJISGSA-N 0 1 390.451 1.503 20 0 GDADMN CC(C)c1scnc1C(=O)N[C@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574451802 949248963 /nfs/dbraw/zinc/24/89/63/949248963.db2.gz ZFTKNOKLWDGQFE-WDEREUQCSA-N 0 1 386.485 1.882 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574700033 949253666 /nfs/dbraw/zinc/25/36/66/949253666.db2.gz XYCRGNDJQXKXMN-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN CC(C)n1cc(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)cn1 ZINC001574452193 949255503 /nfs/dbraw/zinc/25/55/03/949255503.db2.gz FNQVPFCRCXNCGU-INIZCTEOSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccoc1 ZINC001576153742 949294864 /nfs/dbraw/zinc/29/48/64/949294864.db2.gz AMINPLMAUODZQM-KZULUSFZSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccoc1 ZINC001576153744 949296774 /nfs/dbraw/zinc/29/67/74/949296774.db2.gz AMINPLMAUODZQM-XIKOKIGWSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703117 949307732 /nfs/dbraw/zinc/30/77/32/949307732.db2.gz RFKPIRYCBMFOKI-BFUOFWGJSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575259206 949323704 /nfs/dbraw/zinc/32/37/04/949323704.db2.gz NUEXOVQKQYYJMI-QWHCGFSZSA-N 0 1 385.472 1.196 20 0 GDADMN C[C@@H](NC(=O)C1=COCCO1)[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575260880 949364456 /nfs/dbraw/zinc/36/44/56/949364456.db2.gz YEZVTSQIGSKIJX-RNFRBKRXSA-N 0 1 385.837 1.170 20 0 GDADMN CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]2C1(C)C ZINC001574112597 949388537 /nfs/dbraw/zinc/38/85/37/949388537.db2.gz LGLJHTVBAZMYBG-DAXOMENPSA-N 0 1 384.488 1.812 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704936 949412212 /nfs/dbraw/zinc/41/22/12/949412212.db2.gz GFGMSNAQAZCFSH-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704936 949412223 /nfs/dbraw/zinc/41/22/23/949412223.db2.gz GFGMSNAQAZCFSH-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)n1cccc1C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574465105 949429510 /nfs/dbraw/zinc/42/95/10/949429510.db2.gz NRPAURYNSNSRND-ZDUSSCGKSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574705901 949443513 /nfs/dbraw/zinc/44/35/13/949443513.db2.gz KIPFZFFHJYQPPJ-RISCZKNCSA-N 0 1 392.895 1.658 20 0 GDADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)C1 ZINC001589623739 949450097 /nfs/dbraw/zinc/45/00/97/949450097.db2.gz YFTLLJUJGDIEGE-KXBFYZLASA-N 0 1 385.505 1.399 20 0 GDADMN C[C@@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574707180 949465259 /nfs/dbraw/zinc/46/52/59/949465259.db2.gz NUWVIBDOOUPCPZ-HIFPTAJRSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H](CN(C)C(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574707180 949465265 /nfs/dbraw/zinc/46/52/65/949465265.db2.gz NUWVIBDOOUPCPZ-HIFPTAJRSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[NH+](C)C ZINC001576157709 949487598 /nfs/dbraw/zinc/48/75/98/949487598.db2.gz RRKXMCNLDWFZFQ-ACJLOTCBSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[NH+](C)C ZINC001576157709 949487607 /nfs/dbraw/zinc/48/76/07/949487607.db2.gz RRKXMCNLDWFZFQ-ACJLOTCBSA-N 0 1 387.492 1.085 20 0 GDADMN CC(C)n1nccc1C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574470423 949499684 /nfs/dbraw/zinc/49/96/84/949499684.db2.gz PYJJDXUFYZATQF-UHFFFAOYSA-N 0 1 381.444 1.438 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccco1 ZINC001576158791 949499864 /nfs/dbraw/zinc/49/98/64/949499864.db2.gz UNIVVWXWWUJUDZ-KPZWWZAWSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574949829 949513878 /nfs/dbraw/zinc/51/38/78/949513878.db2.gz DWHGLZGUERTISH-KGLIPLIRSA-N 0 1 380.456 1.122 20 0 GDADMN C[C@H](NC(=O)C[C@@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268589 949523256 /nfs/dbraw/zinc/52/32/56/949523256.db2.gz NZYWVMLQWBYNJA-STQMWFEESA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)CC(C)(C)O ZINC001576160045 949527283 /nfs/dbraw/zinc/52/72/83/949527283.db2.gz YZQZVIVTCYXWDY-ORAYPTAESA-N 0 1 387.488 1.322 20 0 GDADMN C[C@@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575268729 949528884 /nfs/dbraw/zinc/52/88/84/949528884.db2.gz OLGRLYKYNBOBCP-KGLIPLIRSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@]1(C(=O)N2CC[C@]3(CCN(c4ccncc4-c4nn[nH]n4)C3)C2)CCOC1 ZINC001575538905 949534050 /nfs/dbraw/zinc/53/40/50/949534050.db2.gz KXCNJLQUBLUDEI-OALUTQOASA-N 0 1 383.456 1.117 20 0 GDADMN CC(C)CC(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1F ZINC001574123161 949541280 /nfs/dbraw/zinc/54/12/80/949541280.db2.gz JZMOLMQBJPDYPT-UHFFFAOYSA-N 0 1 384.419 1.492 20 0 GDADMN C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872337 949542629 /nfs/dbraw/zinc/54/26/29/949542629.db2.gz IAZZWKFRDCUSQO-DZGCQCFKSA-N 0 1 384.488 1.220 20 0 GDADMN C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164895 949560474 /nfs/dbraw/zinc/56/04/74/949560474.db2.gz IEWVZEJNEDELPG-STQMWFEESA-N 0 1 388.451 1.257 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnsn1 ZINC001573810611 949571951 /nfs/dbraw/zinc/57/19/51/949571951.db2.gz AVCYSLOZNNGUNW-LBPRGKRZSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnsn1 ZINC001573810611 949571971 /nfs/dbraw/zinc/57/19/71/949571971.db2.gz AVCYSLOZNNGUNW-LBPRGKRZSA-N 0 1 392.514 1.714 20 0 GDADMN C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574475531 949572251 /nfs/dbraw/zinc/57/22/51/949572251.db2.gz BELUELKLZUIFSW-VHSXEESVSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCCN1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001576166672 949589102 /nfs/dbraw/zinc/58/91/02/949589102.db2.gz NIQZEEBJDQPBEJ-GUYCJALGSA-N 0 1 387.488 1.452 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001576167148 949597966 /nfs/dbraw/zinc/59/79/66/949597966.db2.gz OYGYHKOFZMOBQN-PBHICJAKSA-N 0 1 387.488 1.752 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576167198 949604734 /nfs/dbraw/zinc/60/47/34/949604734.db2.gz PIZMBRTWJKFYNI-CXAGYDPISA-N 0 1 385.472 1.149 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=CCOCC1 ZINC001573811697 949605892 /nfs/dbraw/zinc/60/58/92/949605892.db2.gz MVLFKWMUDKKGLB-OAHLLOKOSA-N 0 1 390.513 1.895 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=CCOCC1 ZINC001573811697 949605910 /nfs/dbraw/zinc/60/59/10/949605910.db2.gz MVLFKWMUDKKGLB-OAHLLOKOSA-N 0 1 390.513 1.895 20 0 GDADMN C[C@@]1(C(=O)N2CCCCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCOC1 ZINC001575546842 949617660 /nfs/dbraw/zinc/61/76/60/949617660.db2.gz SDFWCEVNQNZPQQ-IFXJQAMLSA-N 0 1 385.472 1.293 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnco1 ZINC001573812922 949625463 /nfs/dbraw/zinc/62/54/63/949625463.db2.gz WBDRJDDYQRRUFC-ZDUSSCGKSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnco1 ZINC001573812922 949625475 /nfs/dbraw/zinc/62/54/75/949625475.db2.gz WBDRJDDYQRRUFC-ZDUSSCGKSA-N 0 1 375.458 1.851 20 0 GDADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC001595257746 949634510 /nfs/dbraw/zinc/63/45/10/949634510.db2.gz MFJIYQZGJGUQIF-AWEZNQCLSA-N 0 1 382.482 1.557 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574715139 949641439 /nfs/dbraw/zinc/64/14/39/949641439.db2.gz BONSSQKULYEFMN-ZIAGYGMSSA-N 0 1 387.488 1.538 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001574131454 949662648 /nfs/dbraw/zinc/66/26/48/949662648.db2.gz GJPRDOXBHHRNQZ-ZIAGYGMSSA-N 0 1 386.504 1.918 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575877464 949668340 /nfs/dbraw/zinc/66/83/40/949668340.db2.gz ZUTAFIXJFHDINS-MLGOLLRUSA-N 0 1 390.463 1.636 20 0 GDADMN C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCO1 ZINC001574477970 949688599 /nfs/dbraw/zinc/68/85/99/949688599.db2.gz WNSKLPQRRDMYMQ-UONOGXRCSA-N 0 1 388.476 1.147 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574959028 949699932 /nfs/dbraw/zinc/69/99/32/949699932.db2.gz PNDFEBWIGCCFGJ-TUKIKUTGSA-N 0 1 383.481 1.721 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574959028 949699950 /nfs/dbraw/zinc/69/99/50/949699950.db2.gz PNDFEBWIGCCFGJ-TUKIKUTGSA-N 0 1 383.481 1.721 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574716705 949701799 /nfs/dbraw/zinc/70/17/99/949701799.db2.gz LEEYYZWNAYXTLF-BDAKNGLRSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575276167 949710314 /nfs/dbraw/zinc/71/03/14/949710314.db2.gz HGIZUSJLLRDELQ-VXGBXAGGSA-N 0 1 384.419 1.156 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001574959755 949712838 /nfs/dbraw/zinc/71/28/38/949712838.db2.gz SOPRINQNAVOQPI-IJLUTSLNSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001574479097 949727065 /nfs/dbraw/zinc/72/70/65/949727065.db2.gz CUENJMOFLKIMIF-CQSZACIVSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCCOC1 ZINC001575558740 949743185 /nfs/dbraw/zinc/74/31/85/949743185.db2.gz RQOLYUBOFKYXRS-KDOFPFPSSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCCOC1 ZINC001575558740 949743200 /nfs/dbraw/zinc/74/32/00/949743200.db2.gz RQOLYUBOFKYXRS-KDOFPFPSSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC2CCCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170899 949744029 /nfs/dbraw/zinc/74/40/29/949744029.db2.gz OHLNPERTZVEFMP-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](NC(=O)CCc1cncnc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277517 949750016 /nfs/dbraw/zinc/75/00/16/949750016.db2.gz QPDUGYPAELKWCL-CQSZACIVSA-N 0 1 392.467 1.226 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171194 949751436 /nfs/dbraw/zinc/75/14/36/949751436.db2.gz PJPYHKSEDMEHLF-HIFRSBDPSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171194 949751450 /nfs/dbraw/zinc/75/14/50/949751450.db2.gz PJPYHKSEDMEHLF-HIFRSBDPSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718334 949776289 /nfs/dbraw/zinc/77/62/89/949776289.db2.gz ZYKUYZMNOWKAEF-GTNSWQLSSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718334 949776303 /nfs/dbraw/zinc/77/63/03/949776303.db2.gz ZYKUYZMNOWKAEF-GTNSWQLSSA-N 0 1 378.502 1.416 20 0 GDADMN CC(C)C[C@@H](C)CN1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574138426 949788927 /nfs/dbraw/zinc/78/89/27/949788927.db2.gz CFXOJOPOHWUDLU-CYBMUJFWSA-N 0 1 375.477 1.044 20 0 GDADMN CC(C)C[C@H](C)CN1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574138467 949795037 /nfs/dbraw/zinc/79/50/37/949795037.db2.gz CYNQHQNDPHQUOC-ZDUSSCGKSA-N 0 1 375.477 1.044 20 0 GDADMN C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574965470 949801780 /nfs/dbraw/zinc/80/17/80/949801780.db2.gz GHXJZLWTSKAARS-NSHDSACASA-N 0 1 381.444 1.127 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574965863 949824030 /nfs/dbraw/zinc/82/40/30/949824030.db2.gz NPWPUNHNZDIPLE-VIFPVBQESA-N 0 1 391.357 1.934 20 0 GDADMN C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574722180 949833454 /nfs/dbraw/zinc/83/34/54/949833454.db2.gz QULDNNSCUPGHMV-AWEZNQCLSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574484037 949854258 /nfs/dbraw/zinc/85/42/58/949854258.db2.gz CTIZUZNXGBOXGH-QWHCGFSZSA-N 0 1 382.428 1.268 20 0 GDADMN C[C@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575283150 949857793 /nfs/dbraw/zinc/85/77/93/949857793.db2.gz NVDRFSVEWURHOS-QWRGUYRKSA-N 0 1 387.394 1.510 20 0 GDADMN C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575283313 949865998 /nfs/dbraw/zinc/86/59/98/949865998.db2.gz OGSIWIIVLZJMOF-UKRRQHHQSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285304 949943912 /nfs/dbraw/zinc/94/39/12/949943912.db2.gz MOLQBRQXMWDVDE-ZIAGYGMSSA-N 0 1 380.456 1.125 20 0 GDADMN CC(C)(C)/C=C\C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001573829294 949952756 /nfs/dbraw/zinc/95/27/56/949952756.db2.gz YDAZEZJFLTYQCM-OOQRHLAZSA-N 0 1 382.472 1.544 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574488974 949958767 /nfs/dbraw/zinc/95/87/67/949958767.db2.gz HYODPUXBOZTCFD-GUBZILKMSA-N 0 1 382.350 1.035 20 0 GDADMN C[C@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001574489660 949969775 /nfs/dbraw/zinc/96/97/75/949969775.db2.gz KJCCMGGAGCIKIY-DYVFJYSZSA-N 0 1 380.456 1.443 20 0 GDADMN C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727642 949973504 /nfs/dbraw/zinc/97/35/04/949973504.db2.gz WSTWMOJFIYTPLL-GFCCVEGCSA-N 0 1 385.403 1.161 20 0 GDADMN C[C@@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575286763 949988099 /nfs/dbraw/zinc/98/80/99/949988099.db2.gz YQIOILSTEZECAF-CABCVRRESA-N 0 1 384.488 1.079 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576181477 950009649 /nfs/dbraw/zinc/00/96/49/950009649.db2.gz IKLVLCSZVOFJMG-OLZOCXBDSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOC1 ZINC001575574079 950010821 /nfs/dbraw/zinc/01/08/21/950010821.db2.gz RQOQMHKOBRHKMB-GUYCJALGSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOC1 ZINC001575574079 950010848 /nfs/dbraw/zinc/01/08/48/950010848.db2.gz RQOQMHKOBRHKMB-GUYCJALGSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@H](CC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1)C1CC1 ZINC001574491170 950024690 /nfs/dbraw/zinc/02/46/90/950024690.db2.gz AKPMXBVKGWRNCJ-ZDUSSCGKSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574730402 950030260 /nfs/dbraw/zinc/03/02/60/950030260.db2.gz RXCDNJLMAHUDKP-LLVKDONJSA-N 0 1 386.847 1.234 20 0 GDADMN C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491610 950040924 /nfs/dbraw/zinc/04/09/24/950040924.db2.gz DXEAYBHNBHGXCS-XOBRGWDASA-N 0 1 392.467 1.936 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H](O)C(C)C ZINC001574151060 950057269 /nfs/dbraw/zinc/05/72/69/950057269.db2.gz KGBUMGVCTBBBAG-IUODEOHRSA-N 0 1 380.518 1.566 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H](O)C(C)C ZINC001574151060 950057293 /nfs/dbraw/zinc/05/72/93/950057293.db2.gz KGBUMGVCTBBBAG-IUODEOHRSA-N 0 1 380.518 1.566 20 0 GDADMN C[C@H](CC(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001574492437 950081466 /nfs/dbraw/zinc/08/14/66/950081466.db2.gz MTUIIVXEWMCSMM-SPKLELGKSA-N 0 1 382.472 1.711 20 0 GDADMN CC1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCOCC2)CC=CC1 ZINC001575582278 950108558 /nfs/dbraw/zinc/10/85/58/950108558.db2.gz HNAAZFFHLLIBAH-UHFFFAOYSA-N 0 1 383.456 1.117 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574493307 950126220 /nfs/dbraw/zinc/12/62/20/950126220.db2.gz SCIJWWBIMHAMDM-HOCLYGCPSA-N 0 1 392.467 1.936 20 0 GDADMN CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCC1 ZINC001575583759 950153563 /nfs/dbraw/zinc/15/35/63/950153563.db2.gz UHZFIFDLENMDET-GOSISDBHSA-N 0 1 390.513 1.562 20 0 GDADMN CC1(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCCC1 ZINC001575583759 950153575 /nfs/dbraw/zinc/15/35/75/950153575.db2.gz UHZFIFDLENMDET-GOSISDBHSA-N 0 1 390.513 1.562 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575898760 950157394 /nfs/dbraw/zinc/15/73/94/950157394.db2.gz UFDZQVXIAWOJRM-BBRMVZONSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOC1 ZINC001575584970 950182090 /nfs/dbraw/zinc/18/20/90/950182090.db2.gz UPRMDOPIQBOZJW-IFXJQAMLSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573846630 950249063 /nfs/dbraw/zinc/24/90/63/950249063.db2.gz TVXQVCBLXKRSLN-SOUVJXGZSA-N 0 1 399.499 1.395 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccccc1F ZINC001574158023 950269106 /nfs/dbraw/zinc/26/91/06/950269106.db2.gz NADBKKBDADRLFR-GFCCVEGCSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905770 950301620 /nfs/dbraw/zinc/30/16/20/950301620.db2.gz FHYFYCCCXSCJNN-JQWIXIFHSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905770 950301640 /nfs/dbraw/zinc/30/16/40/950301640.db2.gz FHYFYCCCXSCJNN-JQWIXIFHSA-N 0 1 385.453 1.422 20 0 GDADMN CC(C)C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCCN1C ZINC001574159404 950305858 /nfs/dbraw/zinc/30/58/58/950305858.db2.gz HCCDMUTYELGFDS-ZFWWWQNUSA-N 0 1 390.467 1.438 20 0 GDADMN C[C@H](CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574500378 950314822 /nfs/dbraw/zinc/31/48/22/950314822.db2.gz ZVTMOYPPNKTTEF-XIKOKIGWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H](CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574500378 950314842 /nfs/dbraw/zinc/31/48/42/950314842.db2.gz ZVTMOYPPNKTTEF-XIKOKIGWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576194002 950323282 /nfs/dbraw/zinc/32/32/82/950323282.db2.gz XDMFXOZTXPVMFC-NWDGAFQWSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576194002 950323306 /nfs/dbraw/zinc/32/33/06/950323306.db2.gz XDMFXOZTXPVMFC-NWDGAFQWSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576198355 950406223 /nfs/dbraw/zinc/40/62/23/950406223.db2.gz SDWPGGJUVQNPRQ-UONOGXRCSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576198355 950406236 /nfs/dbraw/zinc/40/62/36/950406236.db2.gz SDWPGGJUVQNPRQ-UONOGXRCSA-N 0 1 387.463 1.751 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCCO1 ZINC001574504012 950423473 /nfs/dbraw/zinc/42/34/73/950423473.db2.gz ZHEWYVUEVJJOLV-KDOFPFPSSA-N 0 1 384.484 1.620 20 0 GDADMN CC1CCN(CC(=O)N[C@H](CNc2ncccc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576202869 950434784 /nfs/dbraw/zinc/43/47/84/950434784.db2.gz DJANVVDORJNJIS-MRXNPFEDSA-N 0 1 384.488 1.300 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574165317 950447177 /nfs/dbraw/zinc/44/71/77/950447177.db2.gz CXNNKXIMZKMFGX-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)[C@@H](CNC(=O)CN1CCC(C)CC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576205555 950523407 /nfs/dbraw/zinc/52/34/07/950523407.db2.gz JVCZSXKJEUTQKC-MRXNPFEDSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753754 950540022 /nfs/dbraw/zinc/54/00/22/950540022.db2.gz RIAQHOVMCMTBLI-LBPRGKRZSA-N 0 1 378.440 1.529 20 0 GDADMN CC(C)(C)OCC(=O)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001573868618 950548794 /nfs/dbraw/zinc/54/87/94/950548794.db2.gz FJCLJSLAZLSRCN-UHFFFAOYSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)C(F)(F)F ZINC001574512842 950589625 /nfs/dbraw/zinc/58/96/25/950589625.db2.gz DRCRZEIFUNRWJW-AEJSXWLSSA-N 0 1 384.366 1.329 20 0 GDADMN C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575000899 950616382 /nfs/dbraw/zinc/61/63/82/950616382.db2.gz HXNLIFXXIIOEKJ-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@@H]1CCCO1 ZINC001574516186 950632982 /nfs/dbraw/zinc/63/29/82/950632982.db2.gz GKDLKCLVXJSKCE-BOTAPPSGSA-N 0 1 383.456 1.018 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575002592 950664843 /nfs/dbraw/zinc/66/48/43/950664843.db2.gz VQGBEIICXKNZOX-VIFPVBQESA-N 0 1 375.795 1.707 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926567 950715893 /nfs/dbraw/zinc/71/58/93/950715893.db2.gz KNPOXSGEHLZNRA-YVEFUNNKSA-N 0 1 391.435 1.429 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccccc1 ZINC001575926755 950724614 /nfs/dbraw/zinc/72/46/14/950724614.db2.gz LKFSUIRNVZKXPH-YOEHRIQHSA-N 0 1 377.452 1.718 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)C1 ZINC001575629059 950730373 /nfs/dbraw/zinc/73/03/73/950730373.db2.gz JRTUKTBWZPXVGI-ZDUSSCGKSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CN[C@@H](C)c1nc(C2CC2)no1 ZINC001575008771 950755218 /nfs/dbraw/zinc/75/52/18/950755218.db2.gz HTUQDBLVWMSJNL-UWVGGRQHSA-N 0 1 385.432 1.172 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575928197 950777635 /nfs/dbraw/zinc/77/76/35/950777635.db2.gz ZRUCQOJPJLOICM-PSASIEDQSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574765329 950781531 /nfs/dbraw/zinc/78/15/31/950781531.db2.gz CAIDFWQTBHDYGY-LLVKDONJSA-N 0 1 382.428 1.123 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCc1cn[nH]c1 ZINC001574524366 950854834 /nfs/dbraw/zinc/85/48/34/950854834.db2.gz VWXSZOFQGSMMNL-RYUDHWBXSA-N 0 1 388.501 1.657 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCc1cn[nH]c1 ZINC001574524366 950854848 /nfs/dbraw/zinc/85/48/48/950854848.db2.gz VWXSZOFQGSMMNL-RYUDHWBXSA-N 0 1 388.501 1.657 20 0 GDADMN CC(C)CCCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574189286 950875321 /nfs/dbraw/zinc/87/53/21/950875321.db2.gz HSNUAHAYVWZMMS-UHFFFAOYSA-N 0 1 387.488 1.587 20 0 GDADMN CC(C)(CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573893824 950902765 /nfs/dbraw/zinc/90/27/65/950902765.db2.gz YIDVQWYLTOEHRN-JTQLQIEISA-N 0 1 383.378 1.675 20 0 GDADMN CC(C)CCCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001574190492 950912185 /nfs/dbraw/zinc/91/21/85/950912185.db2.gz YKOMNBAYCYXVFC-QZTJIDSGSA-N 0 1 386.500 1.744 20 0 GDADMN C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576229879 950984305 /nfs/dbraw/zinc/98/43/05/950984305.db2.gz ONJGOCSTBWDRJR-ZFWWWQNUSA-N 0 1 385.472 1.007 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575017439 950995509 /nfs/dbraw/zinc/99/55/09/950995509.db2.gz GFWFJPSROABWFN-JTQLQIEISA-N 0 1 388.382 1.849 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575019555 951041543 /nfs/dbraw/zinc/04/15/43/951041543.db2.gz ULJHKXKLPKSRLV-QMMMGPOBSA-N 0 1 378.343 1.087 20 0 GDADMN CCOC(=O)c1sc([C@H]2CC[N@@H+]([C@H]3CCN(CC(=O)[O-])C3=O)C2)nc1C ZINC001591426624 951139342 /nfs/dbraw/zinc/13/93/42/951139342.db2.gz SCASEBAJAAWBAC-RYUDHWBXSA-N 0 1 381.454 1.103 20 0 GDADMN CCOC(=O)c1sc([C@H]2CC[N@H+]([C@H]3CCN(CC(=O)[O-])C3=O)C2)nc1C ZINC001591426624 951139351 /nfs/dbraw/zinc/13/93/51/951139351.db2.gz SCASEBAJAAWBAC-RYUDHWBXSA-N 0 1 381.454 1.103 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(C(F)(F)F)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575026701 951145104 /nfs/dbraw/zinc/14/51/04/951145104.db2.gz MCUKCFQAJJRVBV-VIFPVBQESA-N 0 1 392.345 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575031783 951204896 /nfs/dbraw/zinc/20/48/96/951204896.db2.gz IPZYHDZCFJUQJT-LBPRGKRZSA-N 0 1 378.440 1.789 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CO1 ZINC001595006849 951211634 /nfs/dbraw/zinc/21/16/34/951211634.db2.gz WEXBJYGBLXHUTB-OKZBNKHCSA-N 0 1 376.453 1.139 20 0 GDADMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC001602867561 971731900 /nfs/dbraw/zinc/73/19/00/971731900.db2.gz WIRGUFVYKZRYDC-ZDUSSCGKSA-N 0 1 384.473 1.972 20 0 GDADMN C[C@@H](CNC(=O)c1ccsc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575037614 951308021 /nfs/dbraw/zinc/30/80/21/951308021.db2.gz BQBLCDWFRHSZDW-QMMMGPOBSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575045740 951432711 /nfs/dbraw/zinc/43/27/11/951432711.db2.gz GMJADUBQLTUINN-GFCCVEGCSA-N 0 1 381.444 1.049 20 0 GDADMN C[C@H](CNC(=O)c1ncc(F)cc1F)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575062531 951571013 /nfs/dbraw/zinc/57/10/13/951571013.db2.gz XKDQKHKEQLAXRE-SECBINFHSA-N 0 1 391.357 1.587 20 0 GDADMN O=C([O-])CN1CC[C@H]([NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)C1=O ZINC001595074207 951627160 /nfs/dbraw/zinc/62/71/60/951627160.db2.gz NYAZNUIITFVSQV-AWEZNQCLSA-N 0 1 386.370 1.674 20 0 GDADMN C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067955 951627306 /nfs/dbraw/zinc/62/73/06/951627306.db2.gz SVINCKVZPBVSFT-SNVBAGLBSA-N 0 1 389.489 1.183 20 0 GDADMN C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067955 951627311 /nfs/dbraw/zinc/62/73/11/951627311.db2.gz SVINCKVZPBVSFT-SNVBAGLBSA-N 0 1 389.489 1.183 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575090144 951756736 /nfs/dbraw/zinc/75/67/36/951756736.db2.gz JQWAHZBMLJBPDQ-SUMWQHHRSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001575090144 951756742 /nfs/dbraw/zinc/75/67/42/951756742.db2.gz JQWAHZBMLJBPDQ-SUMWQHHRSA-N 0 1 376.486 1.482 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575091939 951787079 /nfs/dbraw/zinc/78/70/79/951787079.db2.gz ZIPTXDXYRDVNPU-KRWDZBQOSA-N 0 1 390.513 1.608 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575091939 951787085 /nfs/dbraw/zinc/78/70/85/951787085.db2.gz ZIPTXDXYRDVNPU-KRWDZBQOSA-N 0 1 390.513 1.608 20 0 GDADMN O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1=O ZINC001595092232 951788749 /nfs/dbraw/zinc/78/87/49/951788749.db2.gz ZWWJKBRJWWRZOV-SJORKVTESA-N 0 1 394.516 1.548 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C1(F)CCOCC1 ZINC001575099360 951832055 /nfs/dbraw/zinc/83/20/55/951832055.db2.gz KOWGVBYLQMUOAR-LLVKDONJSA-N 0 1 382.465 1.383 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C1(F)CCOCC1 ZINC001575099360 951832064 /nfs/dbraw/zinc/83/20/64/951832064.db2.gz KOWGVBYLQMUOAR-LLVKDONJSA-N 0 1 382.465 1.383 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099425 951835538 /nfs/dbraw/zinc/83/55/38/951835538.db2.gz LSDWURDZJQSYCE-SNVBAGLBSA-N 0 1 375.433 1.618 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1F)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099425 951835542 /nfs/dbraw/zinc/83/55/42/951835542.db2.gz LSDWURDZJQSYCE-SNVBAGLBSA-N 0 1 375.433 1.618 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ccccn1 ZINC001575099585 951836883 /nfs/dbraw/zinc/83/68/83/951836883.db2.gz NKDVSZMDUILXDF-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ccccn1 ZINC001575099585 951836890 /nfs/dbraw/zinc/83/68/90/951836890.db2.gz NKDVSZMDUILXDF-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575100483 951844907 /nfs/dbraw/zinc/84/49/07/951844907.db2.gz SWVHAIYHBCABDX-INIZCTEOSA-N 0 1 390.448 1.479 20 0 GDADMN C[C@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100940 951850705 /nfs/dbraw/zinc/85/07/05/951850705.db2.gz XGEABGLHQQKEOD-GTNSWQLSSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100940 951850710 /nfs/dbraw/zinc/85/07/10/951850710.db2.gz XGEABGLHQQKEOD-GTNSWQLSSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575142698 952148493 /nfs/dbraw/zinc/14/84/93/952148493.db2.gz KWCLMSYURPHVBZ-NSHDSACASA-N 0 1 386.847 1.234 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575145255 952182136 /nfs/dbraw/zinc/18/21/36/952182136.db2.gz UKVWEEWOMKHIHU-DINDLPBHSA-N 0 1 377.399 1.282 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575146002 952189703 /nfs/dbraw/zinc/18/97/03/952189703.db2.gz FMTCWKVKNVXEGF-NHYWBVRUSA-N 0 1 381.415 1.421 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575146274 952192744 /nfs/dbraw/zinc/19/27/44/952192744.db2.gz JROGZAVKJGIRKD-LLVKDONJSA-N 0 1 382.428 1.051 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575146641 952195429 /nfs/dbraw/zinc/19/54/29/952195429.db2.gz MPWHJOVFCPDSAN-IUODEOHRSA-N 0 1 379.424 1.119 20 0 GDADMN C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575173793 952356301 /nfs/dbraw/zinc/35/63/01/952356301.db2.gz ABGJKQVMEQKOME-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575173793 952356303 /nfs/dbraw/zinc/35/63/03/952356303.db2.gz ABGJKQVMEQKOME-CQSZACIVSA-N 0 1 387.492 1.182 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575191168 952467279 /nfs/dbraw/zinc/46/72/79/952467279.db2.gz XMBJSLRWBSRVDR-STQMWFEESA-N 0 1 382.428 1.166 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001575196816 952477153 /nfs/dbraw/zinc/47/71/53/952477153.db2.gz JKNYDQGDVDAHKV-GFCCVEGCSA-N 0 1 382.428 1.001 20 0 GDADMN Cc1cc(NC[C@@H]2CCN(C(=O)C(C)(C)F)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571118015 952485884 /nfs/dbraw/zinc/48/58/84/952485884.db2.gz RVCAOGBORHDOEI-YPMHNXCESA-N 0 1 375.452 1.637 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575197791 952486718 /nfs/dbraw/zinc/48/67/18/952486718.db2.gz ZSZICRCIXUSFAR-STQMWFEESA-N 0 1 382.428 1.214 20 0 GDADMN O=C(N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C1(c2ccccc2)CC1 ZINC001571118650 952489930 /nfs/dbraw/zinc/48/99/30/952489930.db2.gz YBLVEJNVDXBQEH-OAHLLOKOSA-N 0 1 375.436 1.428 20 0 GDADMN O=C(NCc1ccc(-c2nn[n-]n2)s1)NCC1CC[NH+](CC2CC2)CC1 ZINC001571119619 952494550 /nfs/dbraw/zinc/49/45/50/952494550.db2.gz DJFACUFZJSGQOG-UHFFFAOYSA-N 0 1 375.502 1.849 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1C ZINC001575201801 952506984 /nfs/dbraw/zinc/50/69/84/952506984.db2.gz QQSLWCDHDFMLKY-UMVBOHGHSA-N 0 1 395.471 1.052 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001575202732 952516211 /nfs/dbraw/zinc/51/62/11/952516211.db2.gz XSJMTYYTXQPGRN-NWDGAFQWSA-N 0 1 386.435 1.549 20 0 GDADMN O=C(NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCCO1 ZINC001571121696 952520331 /nfs/dbraw/zinc/52/03/31/952520331.db2.gz BQVJMVUYPPHNBG-AWEZNQCLSA-N 0 1 376.486 1.435 20 0 GDADMN O=C(NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@@H]1CCCO1 ZINC001571121696 952520333 /nfs/dbraw/zinc/52/03/33/952520333.db2.gz BQVJMVUYPPHNBG-AWEZNQCLSA-N 0 1 376.486 1.435 20 0 GDADMN Cc1nsc(N[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1-c1nn[n-]n1 ZINC001571121891 952522671 /nfs/dbraw/zinc/52/26/71/952522671.db2.gz DKHFNSPORQJRDD-LLVKDONJSA-N 0 1 376.490 1.129 20 0 GDADMN Cc1nsc(N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)c1-c1nn[n-]n1 ZINC001571121891 952522673 /nfs/dbraw/zinc/52/26/73/952522673.db2.gz DKHFNSPORQJRDD-LLVKDONJSA-N 0 1 376.490 1.129 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001571122801 952526804 /nfs/dbraw/zinc/52/68/04/952526804.db2.gz LLJPYMWOJKXZGG-FMRSBHEDSA-N 0 1 376.848 1.550 20 0 GDADMN CC(F)(F)C(=O)NCC1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001575210457 952540232 /nfs/dbraw/zinc/54/02/32/952540232.db2.gz DXXNEOGFYQGEQM-UHFFFAOYSA-N 0 1 382.390 1.989 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)C3(C)CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124542 952540312 /nfs/dbraw/zinc/54/03/12/952540312.db2.gz MGRSMITURNHCCH-NSHDSACASA-N 0 1 377.399 1.700 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124602 952541556 /nfs/dbraw/zinc/54/15/56/952541556.db2.gz OQMSYFVKBVOSAS-XPTSAGLGSA-N 0 1 377.399 1.296 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571127365 952553680 /nfs/dbraw/zinc/55/36/80/952553680.db2.gz FLOJSFPGKWOASS-QGZVFWFLSA-N 0 1 377.452 1.965 20 0 GDADMN Cc1cnccc1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571127580 952557939 /nfs/dbraw/zinc/55/79/39/952557939.db2.gz JCMZRXXTVMZGRN-QGZVFWFLSA-N 0 1 377.452 1.965 20 0 GDADMN O=C(Cc1ccccc1)N[C@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571128062 952562639 /nfs/dbraw/zinc/56/26/39/952562639.db2.gz OLPAMVOKVDWHHA-CVEARBPZSA-N 0 1 377.452 1.623 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575214499 952565184 /nfs/dbraw/zinc/56/51/84/952565184.db2.gz LMSFLTRWEIEOCB-SECBINFHSA-N 0 1 388.444 1.176 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575214499 952565194 /nfs/dbraw/zinc/56/51/94/952565194.db2.gz LMSFLTRWEIEOCB-SECBINFHSA-N 0 1 388.444 1.176 20 0 GDADMN Cc1ccncc1CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571134334 952588246 /nfs/dbraw/zinc/58/82/46/952588246.db2.gz HNJXZVDSFYQTBC-OAHLLOKOSA-N 0 1 378.440 1.033 20 0 GDADMN CCc1ncncc1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571134346 952589205 /nfs/dbraw/zinc/58/92/05/952589205.db2.gz DNGNYKDTWWBFRA-UHFFFAOYSA-N 0 1 378.440 1.081 20 0 GDADMN CCc1ccccc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001571134991 952598876 /nfs/dbraw/zinc/59/88/76/952598876.db2.gz OIVZYLKOAQNBJV-WFASDCNBSA-N 0 1 378.440 1.214 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccncn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571135290 952601480 /nfs/dbraw/zinc/60/14/80/952601480.db2.gz STDWDFZPJVXSFF-XJKSGUPXSA-N 0 1 378.440 1.440 20 0 GDADMN CC[C@H](OC)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141997 952637781 /nfs/dbraw/zinc/63/77/81/952637781.db2.gz MWIHJNKOTDVIPZ-OCCSQVGLSA-N 0 1 378.502 1.681 20 0 GDADMN CC[C@H](OC)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141997 952637782 /nfs/dbraw/zinc/63/77/82/952637782.db2.gz MWIHJNKOTDVIPZ-OCCSQVGLSA-N 0 1 378.502 1.681 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1conc1C1CC1 ZINC001571148422 952667182 /nfs/dbraw/zinc/66/71/82/952667182.db2.gz ZDJQVBMXMDJAER-HNNXBMFYSA-N 0 1 379.424 1.736 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571156048 952700665 /nfs/dbraw/zinc/70/06/65/952700665.db2.gz BTYKCFSYXKASOZ-BLLLJJGKSA-N 0 1 379.428 1.034 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571156051 952700719 /nfs/dbraw/zinc/70/07/19/952700719.db2.gz BTYKCFSYXKASOZ-WBMJQRKESA-N 0 1 379.428 1.034 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)c3cnccn3)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156576 952702127 /nfs/dbraw/zinc/70/21/27/952702127.db2.gz DLTRFMVEHNBCNF-OLZOCXBDSA-N 0 1 379.428 1.147 20 0 GDADMN Cc1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)nc1C ZINC001571156679 952704082 /nfs/dbraw/zinc/70/40/82/952704082.db2.gz GXHULBKESWGDHS-UHFFFAOYSA-N 0 1 379.428 1.067 20 0 GDADMN Cc1cc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc(C)n1 ZINC001571159697 952721308 /nfs/dbraw/zinc/72/13/08/952721308.db2.gz VUENIMSMCXKEQE-AWEZNQCLSA-N 0 1 379.428 1.019 20 0 GDADMN O=C(c1cocn1)N1CCC[C@H]2CN(c3ccncc3-c3nn[nH]n3)CC[C@H]21 ZINC001571162475 952743851 /nfs/dbraw/zinc/74/38/51/952743851.db2.gz VDWMZBRQFMITPE-SWLSCSKDSA-N 0 1 380.412 1.381 20 0 GDADMN CCc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)nn1C ZINC001571165691 952753463 /nfs/dbraw/zinc/75/34/63/952753463.db2.gz HMVOQAHSPXEPQD-CQSZACIVSA-N 0 1 380.456 1.167 20 0 GDADMN Cc1n[nH]cc1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001571169472 952773241 /nfs/dbraw/zinc/77/32/41/952773241.db2.gz DOHYRDQMANDALG-HNNXBMFYSA-N 0 1 380.456 1.635 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571169415 952773775 /nfs/dbraw/zinc/77/37/75/952773775.db2.gz BZLGFLDKAYETTP-KBPBESRZSA-N 0 1 380.456 1.293 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571170906 952790292 /nfs/dbraw/zinc/79/02/92/952790292.db2.gz ZFIHHKFULMMKMG-BDJLRTHQSA-N 0 1 380.456 1.591 20 0 GDADMN Cc1cc(N[C@H](C)[C@H]2CCN(C(=O)Cc3ccco3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179412 952853192 /nfs/dbraw/zinc/85/31/92/952853192.db2.gz DIFKRXJDNXHDKL-KGLIPLIRSA-N 0 1 381.440 1.477 20 0 GDADMN Cc1noc(C)c1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001571179976 952858178 /nfs/dbraw/zinc/85/81/78/952858178.db2.gz LJBAKYWBTJGQRD-BDJLRTHQSA-N 0 1 381.440 1.722 20 0 GDADMN Cc1cccc([C@@H](C)N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)c1 ZINC001571181741 952863941 /nfs/dbraw/zinc/86/39/41/952863941.db2.gz XRXLAXDJKVZVQT-JLZZUVOBSA-N 0 1 381.440 1.039 20 0 GDADMN COc1cccc(CN2CC[C@](C)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571183136 952874210 /nfs/dbraw/zinc/87/42/10/952874210.db2.gz PUZRERNLZRAOFK-IBGZPJMESA-N 0 1 381.440 1.598 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)c1cncc(F)c1 ZINC001571183304 952876881 /nfs/dbraw/zinc/87/68/81/952876881.db2.gz WGGWTUKINGMCHA-MRXNPFEDSA-N 0 1 381.415 1.795 20 0 GDADMN Cc1c(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cnn1C(C)C ZINC001571185576 952902545 /nfs/dbraw/zinc/90/25/45/952902545.db2.gz NEMBFKKDILBWBJ-BETUJISGSA-N 0 1 381.444 1.142 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCN(C(=O)Cc3ccn[nH]3)[C@H](C)C2)n1 ZINC001571187638 952908693 /nfs/dbraw/zinc/90/86/93/952908693.db2.gz ABIHKRLQLFOFKV-OLZOCXBDSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1n[nH]cc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001571187943 952911309 /nfs/dbraw/zinc/91/13/09/952911309.db2.gz DDOZGDAPUIQWES-WCQYABFASA-N 0 1 381.444 1.129 20 0 GDADMN Cc1cc(NCC2CC(NC(=O)c3cncc(F)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196196 952980671 /nfs/dbraw/zinc/98/06/71/952980671.db2.gz IRNYJJGOVYDUSP-UHFFFAOYSA-N 0 1 382.403 1.147 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccc1F ZINC001571196514 952983070 /nfs/dbraw/zinc/98/30/70/952983070.db2.gz LRPLBRFKSDWXQB-BXUZGUMPSA-N 0 1 382.403 1.099 20 0 GDADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC001571197372 952989464 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XHYCAEQKSKMLDZ-DGCLKSJQSA-N 0 1 382.428 1.368 20 0 GDADMN Cc1cc(CCC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C)no1 ZINC001571202530 953026694 /nfs/dbraw/zinc/02/66/94/953026694.db2.gz UPAHBRACAQGKAC-DOMZBBRYSA-N 0 1 382.428 1.014 20 0 GDADMN C[C@@]1(C(=O)N2C[C@H]3CCN(Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CCOC1 ZINC001571209757 953066754 /nfs/dbraw/zinc/06/67/54/953066754.db2.gz CUWNNZPBCFTPJB-MBOZVWFJSA-N 0 1 382.468 1.326 20 0 GDADMN Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2nccs2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571209928 953068999 /nfs/dbraw/zinc/06/89/99/953068999.db2.gz IYDXZAJFMRXUDL-TXEJJXNPSA-N 0 1 382.453 1.520 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)[C@H]1CC12CCC2 ZINC001571210024 953070089 /nfs/dbraw/zinc/07/00/89/953070089.db2.gz LWNTUSWAOHWUME-DLTWYDFYSA-N 0 1 382.443 1.742 20 0 GDADMN O=C([C@H]1CC12CC2)N1CC2(C1)CCN(Cc1cc(-c3nn[nH]n3)ccc1F)C2 ZINC001571210870 953074763 /nfs/dbraw/zinc/07/47/63/953074763.db2.gz YWUVQPKGEKCSTN-OAHLLOKOSA-N 0 1 382.443 1.840 20 0 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C[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)[C@@H]1CNC(=O)[O-] ZINC000825919840 603713933 /nfs/dbraw/zinc/71/39/33/603713933.db2.gz TWLXFGLBMKZUSA-DOTOQJQBSA-N 0 1 378.473 1.292 20 0 GDADMN C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000826088387 603721262 /nfs/dbraw/zinc/72/12/62/603721262.db2.gz XPLQIDDHKINKRN-GDBMZVCRSA-N 0 1 388.468 1.820 20 0 GDADMN C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000826088387 603721266 /nfs/dbraw/zinc/72/12/66/603721266.db2.gz XPLQIDDHKINKRN-GDBMZVCRSA-N 0 1 388.468 1.820 20 0 GDADMN COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)[O-])cc1 ZINC000828723286 603728300 /nfs/dbraw/zinc/72/83/00/603728300.db2.gz KVZCERIWSXTRST-BBRMVZONSA-N 0 1 392.456 1.849 20 0 GDADMN COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)[O-])cc1 ZINC000828723286 603728304 /nfs/dbraw/zinc/72/83/04/603728304.db2.gz KVZCERIWSXTRST-BBRMVZONSA-N 0 1 392.456 1.849 20 0 GDADMN CCN(Cc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)C(=O)[O-] ZINC000826989385 603740140 /nfs/dbraw/zinc/74/01/40/603740140.db2.gz ZRAFVPCFHRAFFB-HNNXBMFYSA-N 0 1 390.484 1.925 20 0 GDADMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COC2CN(C(=O)[O-])C2)C1 ZINC000825925416 603747143 /nfs/dbraw/zinc/74/71/43/603747143.db2.gz PIFFOMSMGDTUBT-HNNXBMFYSA-N 0 1 375.469 1.914 20 0 GDADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000824906911 603764572 /nfs/dbraw/zinc/76/45/72/603764572.db2.gz HPRGGYVXMYQHBA-INIZCTEOSA-N 0 1 389.500 1.639 20 0 GDADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000824906559 603778668 /nfs/dbraw/zinc/77/86/68/603778668.db2.gz DFXMGMRQEKBXPD-WMZOPIPTSA-N 0 1 389.500 1.639 20 0 GDADMN COc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1NC(=O)[O-] ZINC000829432985 603783050 /nfs/dbraw/zinc/78/30/50/603783050.db2.gz AFBJIHJIUAXJLM-FZMZJTMJSA-N 0 1 378.429 1.569 20 0 GDADMN 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C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H](NC(=O)[O-])c3ccccc3)C2)CC1 ZINC000828466626 603808576 /nfs/dbraw/zinc/80/85/76/603808576.db2.gz PXRLKNXZKTVONI-FUHWJXTLSA-N 0 1 389.500 1.463 20 0 GDADMN CN(C(=O)[O-])[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000827882129 603812241 /nfs/dbraw/zinc/81/22/41/603812241.db2.gz LKUPGRKZUZZMQC-HOTGVXAUSA-N 0 1 389.452 1.805 20 0 GDADMN CN(C(=O)[O-])[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000827882129 603812242 /nfs/dbraw/zinc/81/22/42/603812242.db2.gz LKUPGRKZUZZMQC-HOTGVXAUSA-N 0 1 389.452 1.805 20 0 GDADMN CC(C)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[O-] ZINC000824906032 603820502 /nfs/dbraw/zinc/82/05/02/603820502.db2.gz AOKURAQUDUVWOP-FUHWJXTLSA-N 0 1 391.516 1.789 20 0 GDADMN C[C@H](NC(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1)[C@@H](O)c1cccc(F)c1 ZINC000825165821 603842679 /nfs/dbraw/zinc/84/26/79/603842679.db2.gz JKEDUXYCPIXCIP-XJKSGUPXSA-N 0 1 382.436 1.233 20 0 GDADMN O=C([O-])N[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000832120166 603853721 /nfs/dbraw/zinc/85/37/21/603853721.db2.gz NZXYUSPUXCLRQO-NQIIRXRSSA-N 0 1 383.448 1.749 20 0 GDADMN C[C@H]1CN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[O-])CC[N@@H+]1C ZINC000826033823 603924500 /nfs/dbraw/zinc/92/45/00/603924500.db2.gz BSFOJPRDOCWIBO-YJBOKZPZSA-N 0 1 385.468 1.273 20 0 GDADMN C[C@H]1CN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[O-])CC[N@H+]1C ZINC000826033823 603924502 /nfs/dbraw/zinc/92/45/02/603924502.db2.gz BSFOJPRDOCWIBO-YJBOKZPZSA-N 0 1 385.468 1.273 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000824906857 603947039 /nfs/dbraw/zinc/94/70/39/603947039.db2.gz GHIYNNOLCHQBIB-BEFAXECRSA-N 0 1 375.473 1.098 20 0 GDADMN COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000828772231 603971951 /nfs/dbraw/zinc/97/19/51/603971951.db2.gz MPGIKATZIXJHKS-XKQJLSEDSA-N 0 1 389.452 1.695 20 0 GDADMN COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000828772231 603971957 /nfs/dbraw/zinc/97/19/57/603971957.db2.gz MPGIKATZIXJHKS-XKQJLSEDSA-N 0 1 389.452 1.695 20 0 GDADMN O=C([O-])N[C@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000832094631 603978488 /nfs/dbraw/zinc/97/84/88/603978488.db2.gz VEFFFGPYBMNKDV-RBUKOAKNSA-N 0 1 389.496 1.969 20 0 GDADMN O=C([O-])N[C@@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000832094458 603978740 /nfs/dbraw/zinc/97/87/40/603978740.db2.gz VEFFFGPYBMNKDV-MOPGFXCFSA-N 0 1 389.496 1.969 20 0 GDADMN CCCCn1c2nc(C[N@H+](C)C3CCN(C(=O)[O-])CC3)n(C)c2c(=O)[nH]c1=O ZINC000826853853 603990162 /nfs/dbraw/zinc/99/01/62/603990162.db2.gz RTZHOMWENSPFRM-UHFFFAOYSA-N 0 1 392.460 1.210 20 0 GDADMN CCCCn1c2nc(C[N@@H+](C)C3CCN(C(=O)[O-])CC3)n(C)c2c(=O)[nH]c1=O ZINC000826853853 603990164 /nfs/dbraw/zinc/99/01/64/603990164.db2.gz RTZHOMWENSPFRM-UHFFFAOYSA-N 0 1 392.460 1.210 20 0 GDADMN C[C@H](CNC(=O)NCC1(NC(=O)[O-])CCCCCC1)CN1CC[NH+](C)CC1 ZINC000824939466 604000147 /nfs/dbraw/zinc/00/01/47/604000147.db2.gz LPTGOYRKJAEUNU-MRXNPFEDSA-N 0 1 383.537 1.530 20 0 GDADMN COc1ccccc1C[C@H](C)N(C)C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000829619621 604008622 /nfs/dbraw/zinc/00/86/22/604008622.db2.gz UYIBNAGUXDPTQW-INIZCTEOSA-N 0 1 392.500 1.953 20 0 GDADMN Cc1ccc(O[C@H](C)CNC(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)cc1 ZINC000830401078 604008961 /nfs/dbraw/zinc/00/89/61/604008961.db2.gz QUAIRLHFUZMPLP-MRXNPFEDSA-N 0 1 378.473 1.747 20 0 GDADMN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828482523 604033226 /nfs/dbraw/zinc/03/32/26/604033226.db2.gz ZGFRXSQUQWUVOP-SJORKVTESA-N 0 1 386.452 1.751 20 0 GDADMN C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000826088139 604033369 /nfs/dbraw/zinc/03/33/69/604033369.db2.gz VPWKEEVJDLEFRW-ZIAGYGMSSA-N 0 1 386.452 1.751 20 0 GDADMN C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000826088139 604033374 /nfs/dbraw/zinc/03/33/74/604033374.db2.gz VPWKEEVJDLEFRW-ZIAGYGMSSA-N 0 1 386.452 1.751 20 0 GDADMN CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@@H]1C ZINC000827206977 604045740 /nfs/dbraw/zinc/04/57/40/604045740.db2.gz KQTJSRNNPVIQOM-XJKSGUPXSA-N 0 1 376.457 1.724 20 0 GDADMN CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000736380193 604118589 /nfs/dbraw/zinc/11/85/89/604118589.db2.gz FXQRYMSMFOJZAD-CRAIPNDOSA-N 0 1 391.468 1.727 20 0 GDADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)C1CCN(C(=O)[O-])CC1 ZINC000827162103 604171499 /nfs/dbraw/zinc/17/14/99/604171499.db2.gz RILXDARBGZQHKE-UHFFFAOYSA-N 0 1 391.468 1.881 20 0 GDADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000825265213 604182319 /nfs/dbraw/zinc/18/23/19/604182319.db2.gz QYVGISDHHPDKHV-KBPBESRZSA-N 0 1 385.486 1.932 20 0 GDADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000825265213 604182321 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ZINC000821154070 607209607 /nfs/dbraw/zinc/20/96/07/607209607.db2.gz IIXQWIIKXIKSGJ-HOCLYGCPSA-N 0 1 395.471 1.142 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000821154070 607209608 /nfs/dbraw/zinc/20/96/08/607209608.db2.gz IIXQWIIKXIKSGJ-HOCLYGCPSA-N 0 1 395.471 1.142 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1cccc(COc2ccccc2)c1 ZINC000823131927 607209776 /nfs/dbraw/zinc/20/97/76/607209776.db2.gz RAVUAGHUHUDXRN-UHFFFAOYSA-N 0 1 390.407 1.354 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(OCc2ccncc2)cc1 ZINC000823136365 607215073 /nfs/dbraw/zinc/21/50/73/607215073.db2.gz XSJCYKXDYMNWEU-UHFFFAOYSA-N 0 1 377.368 1.071 20 0 GDADMN COc1cccc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)c1 ZINC000821854569 607219567 /nfs/dbraw/zinc/21/95/67/607219567.db2.gz NJFPUQVOLRLAAF-UHFFFAOYSA-N 0 1 390.407 1.450 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000823136415 607221339 /nfs/dbraw/zinc/22/13/39/607221339.db2.gz ZLNIYCABBPEOIA-UHFFFAOYSA-N 0 1 395.358 1.210 20 0 GDADMN CC[C@@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)Oc1ccccc1Cl ZINC000820908542 607221426 /nfs/dbraw/zinc/22/14/26/607221426.db2.gz NKXMEWTZUTURSU-JTQLQIEISA-N 0 1 376.808 1.085 20 0 GDADMN Cc1ccc(SC2(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)CCCC2)cc1 ZINC000822267307 607222305 /nfs/dbraw/zinc/22/23/05/607222305.db2.gz RWRLSVNAJIPETH-UHFFFAOYSA-N 0 1 398.496 1.988 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000823127127 607222545 /nfs/dbraw/zinc/22/25/45/607222545.db2.gz UEZUUQBTQDBXKL-SIFUEBAJSA-N 0 1 378.440 1.943 20 0 GDADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(O[C@@H](C)CC(C)C)c1 ZINC000822237235 607223313 /nfs/dbraw/zinc/22/33/13/607223313.db2.gz KXRYGLQTIBOHKP-AWEZNQCLSA-N 0 1 398.471 1.896 20 0 GDADMN CCS(=O)(=O)NCCCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825663619 607796106 /nfs/dbraw/zinc/79/61/06/607796106.db2.gz SQIKIZWGNMZTDI-UHFFFAOYSA-N 0 1 394.501 1.039 20 0 GDADMN O=C(COc1ccccc1-c1nnc[nH]1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826418533 607848918 /nfs/dbraw/zinc/84/89/18/607848918.db2.gz LCSDEJZIUPRLLQ-UHFFFAOYSA-N 0 1 376.380 1.347 20 0 GDADMN CO[C@@H]1CC[C@H]2OCCN(CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C1 ZINC000826145606 607858283 /nfs/dbraw/zinc/85/82/83/607858283.db2.gz JSKDFEUVHKOJSK-BRWVUGGUSA-N 0 1 386.456 1.464 20 0 GDADMN C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000825855532 607897231 /nfs/dbraw/zinc/89/72/31/607897231.db2.gz HGTOGSQVBVNETP-UHFFFAOYSA-N 0 1 386.504 1.182 20 0 GDADMN C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000825855532 607897232 /nfs/dbraw/zinc/89/72/32/607897232.db2.gz HGTOGSQVBVNETP-UHFFFAOYSA-N 0 1 386.504 1.182 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000826175415 607913824 /nfs/dbraw/zinc/91/38/24/607913824.db2.gz DMDZNRYAGIRNCQ-KBPBESRZSA-N 0 1 388.472 1.585 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCN(C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826077705 608019629 /nfs/dbraw/zinc/01/96/29/608019629.db2.gz RDHNMUIVNCTVHJ-ZDUSSCGKSA-N 0 1 395.471 1.304 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCN(C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826077705 608019630 /nfs/dbraw/zinc/01/96/30/608019630.db2.gz RDHNMUIVNCTVHJ-ZDUSSCGKSA-N 0 1 395.471 1.304 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(cccc3F)[nH]2)c1-c1nnn[n-]1 ZINC000826077664 608021130 /nfs/dbraw/zinc/02/11/30/608021130.db2.gz PSBFIVJNNIXGNK-UHFFFAOYSA-N 0 1 383.391 1.615 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(cccc3F)[nH]2)c1-c1nn[n-]n1 ZINC000826077664 608021131 /nfs/dbraw/zinc/02/11/31/608021131.db2.gz PSBFIVJNNIXGNK-UHFFFAOYSA-N 0 1 383.391 1.615 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2SC)c1-c1nnn[n-]1 ZINC000826083741 608021656 /nfs/dbraw/zinc/02/16/56/608021656.db2.gz PKCHSCRGQFBHGT-UHFFFAOYSA-N 0 1 378.487 1.778 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sccc2SC)c1-c1nn[n-]n1 ZINC000826083741 608021657 /nfs/dbraw/zinc/02/16/57/608021657.db2.gz PKCHSCRGQFBHGT-UHFFFAOYSA-N 0 1 378.487 1.778 20 0 GDADMN CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825722466 608035905 /nfs/dbraw/zinc/03/59/05/608035905.db2.gz HHRWZPJFHPLFJC-GFCCVEGCSA-N 0 1 397.487 1.626 20 0 GDADMN CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825722466 608035906 /nfs/dbraw/zinc/03/59/06/608035906.db2.gz HHRWZPJFHPLFJC-GFCCVEGCSA-N 0 1 397.487 1.626 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000826277383 608107898 /nfs/dbraw/zinc/10/78/98/608107898.db2.gz SDONLGFDVMKYTP-SNVBAGLBSA-N 0 1 383.416 1.233 20 0 GDADMN CCOC(=O)c1ccc(N2CC(NCc3cc(-c4nn[nH]n4)cs3)C2)nc1 ZINC000825560573 608134506 /nfs/dbraw/zinc/13/45/06/608134506.db2.gz RXAKUCVWMKPAJA-UHFFFAOYSA-N 0 1 385.453 1.478 20 0 GDADMN C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824991514 608150897 /nfs/dbraw/zinc/15/08/97/608150897.db2.gz BUUVQTLYVGVLOA-RHSMWYFYSA-N 0 1 393.499 1.272 20 0 GDADMN C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824991514 608150898 /nfs/dbraw/zinc/15/08/98/608150898.db2.gz BUUVQTLYVGVLOA-RHSMWYFYSA-N 0 1 393.499 1.272 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000826470154 608206327 /nfs/dbraw/zinc/20/63/27/608206327.db2.gz FQMUNWCXDUFDGL-AWEZNQCLSA-N 0 1 375.396 1.957 20 0 GDADMN Cc1cccc2nc(CNS(=O)(=O)c3ccc(F)cc3-c3nn[nH]n3)[nH]c21 ZINC000826304586 608238799 /nfs/dbraw/zinc/23/87/99/608238799.db2.gz QPCVYKPHRNDLIB-UHFFFAOYSA-N 0 1 387.400 1.669 20 0 GDADMN C[C@@H](CCO)N(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC000824405948 608267774 /nfs/dbraw/zinc/26/77/74/608267774.db2.gz BVMTYZYSQIPLNB-INIZCTEOSA-N 0 1 394.479 1.756 20 0 GDADMN CCCn1cc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000825357086 608269069 /nfs/dbraw/zinc/26/90/69/608269069.db2.gz XQWZWQCBVVIOQV-UHFFFAOYSA-N 0 1 395.471 1.216 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826332584 608315672 /nfs/dbraw/zinc/31/56/72/608315672.db2.gz YLONPOBYACMYHA-CQSZACIVSA-N 0 1 380.456 1.448 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826332584 608315674 /nfs/dbraw/zinc/31/56/74/608315674.db2.gz YLONPOBYACMYHA-CQSZACIVSA-N 0 1 380.456 1.448 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826332584 608315676 /nfs/dbraw/zinc/31/56/76/608315676.db2.gz YLONPOBYACMYHA-CQSZACIVSA-N 0 1 380.456 1.448 20 0 GDADMN Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826332584 608315678 /nfs/dbraw/zinc/31/56/78/608315678.db2.gz YLONPOBYACMYHA-CQSZACIVSA-N 0 1 380.456 1.448 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000826168918 608375767 /nfs/dbraw/zinc/37/57/67/608375767.db2.gz CFAMDLDENXXPGX-DLBZAZTESA-N 0 1 383.456 1.697 20 0 GDADMN O=S(=O)(CCN[C@H](CCO)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826484473 608432810 /nfs/dbraw/zinc/43/28/10/608432810.db2.gz FBNDRWBUPWLGHF-QGZVFWFLSA-N 0 1 387.465 1.354 20 0 GDADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824005436 608433015 /nfs/dbraw/zinc/43/30/15/608433015.db2.gz SBEPDXMUZNHJDF-ZDUSSCGKSA-N 0 1 393.451 1.792 20 0 GDADMN C[C@H](NCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562636 608460849 /nfs/dbraw/zinc/46/08/49/608460849.db2.gz HTLSLCPOKBRVCK-LBPRGKRZSA-N 0 1 380.408 1.562 20 0 GDADMN CNS(=O)(=O)c1cccc(CN[C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826091156 608504032 /nfs/dbraw/zinc/50/40/32/608504032.db2.gz XCAHQEGQHYILHC-SFHVURJKSA-N 0 1 398.492 1.942 20 0 GDADMN CC(=O)Nc1ccc(CN2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000823999929 608509916 /nfs/dbraw/zinc/50/99/16/608509916.db2.gz NJBOQLVLTCPAKA-UHFFFAOYSA-N 0 1 378.440 1.542 20 0 GDADMN CCN(CC)C(=O)CN1CCCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000825406882 608519155 /nfs/dbraw/zinc/51/91/55/608519155.db2.gz SMUBNFIQBXVNHQ-UHFFFAOYSA-N 0 1 377.518 1.304 20 0 GDADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000826412296 608528100 /nfs/dbraw/zinc/52/81/00/608528100.db2.gz JEWVHOWHRNZXNA-SJORKVTESA-N 0 1 382.468 1.615 20 0 GDADMN COC(=O)C1(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)CCCCC1 ZINC000826123249 608529243 /nfs/dbraw/zinc/52/92/43/608529243.db2.gz AGJPNNAHEBVIEZ-UHFFFAOYSA-N 0 1 398.467 1.438 20 0 GDADMN CS(=O)(=O)C[C@H](NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000826222306 608554169 /nfs/dbraw/zinc/55/41/69/608554169.db2.gz RIVPCICLYVMPAH-KRWDZBQOSA-N 0 1 387.465 1.621 20 0 GDADMN CC(C)(CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccncc1 ZINC000824157834 608561769 /nfs/dbraw/zinc/56/17/69/608561769.db2.gz OISMJHZLWWWPID-UHFFFAOYSA-N 0 1 394.407 1.796 20 0 GDADMN C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824689565 608566345 /nfs/dbraw/zinc/56/63/45/608566345.db2.gz MQSSUTBMVKDVBW-MRVPVSSYSA-N 0 1 375.401 1.220 20 0 GDADMN COc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1O ZINC000826195482 608590492 /nfs/dbraw/zinc/59/04/92/608590492.db2.gz WBWLXIPSHNDUGY-UHFFFAOYSA-N 0 1 397.439 1.769 20 0 GDADMN CCN(CC(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1 ZINC000825395537 608606084 /nfs/dbraw/zinc/60/60/84/608606084.db2.gz RFINXZJQKVWUGH-UHFFFAOYSA-N 0 1 385.472 1.552 20 0 GDADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824064443 608689874 /nfs/dbraw/zinc/68/98/74/608689874.db2.gz IJAPSXKOMDPFAI-AWEZNQCLSA-N 0 1 396.499 1.889 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824893771 608761654 /nfs/dbraw/zinc/76/16/54/608761654.db2.gz UMYZTEYLSSVUJV-YJBOKZPZSA-N 0 1 399.499 1.652 20 0 GDADMN COc1ccc(OCCN2CCN(c3cnccc3-c3nn[nH]n3)CC2)cc1 ZINC000826211908 608769330 /nfs/dbraw/zinc/76/93/30/608769330.db2.gz ZTKSKIYGVJYCCR-UHFFFAOYSA-N 0 1 381.440 1.471 20 0 GDADMN O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826397364 609141756 /nfs/dbraw/zinc/14/17/56/609141756.db2.gz BKQFKKNFSVHXSP-KZNAEPCWSA-N 0 1 382.468 1.326 20 0 GDADMN Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269376 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QYGMLDJHUYXOBP-XJKSGUPXSA-N 0 1 387.463 1.893 20 0 GDADMN CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571282791 945861371 /nfs/dbraw/zinc/86/13/71/945861371.db2.gz QYGMLDJHUYXOBP-XJKSGUPXSA-N 0 1 387.463 1.893 20 0 GDADMN CC[C@H](C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1)[NH+](C)C ZINC001571283223 945879343 /nfs/dbraw/zinc/87/93/43/945879343.db2.gz CCTIYDKQRFXTKQ-UKRRQHHQSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@H](C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[NH+](C)C ZINC001571283398 945883910 /nfs/dbraw/zinc/88/39/10/945883910.db2.gz FCWXCJKSYMSQNC-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@H](C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571283398 945883924 /nfs/dbraw/zinc/88/39/24/945883924.db2.gz FCWXCJKSYMSQNC-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H]1CO[C@H](C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001571288932 945994915 /nfs/dbraw/zinc/99/49/15/945994915.db2.gz USRKAPUFMMWUAT-SJCJKPOMSA-N 0 1 388.447 1.511 20 0 GDADMN CC(C)(O)CC(=O)N1CC[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571288935 945995407 /nfs/dbraw/zinc/99/54/07/945995407.db2.gz UUGKCGMENYCLPC-BLLLJJGKSA-N 0 1 388.447 1.200 20 0 GDADMN COc1nscc1CNC[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571289763 946017014 /nfs/dbraw/zinc/01/70/14/946017014.db2.gz LYQONMRIVSOOLZ-LLVKDONJSA-N 0 1 388.457 1.054 20 0 GDADMN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571290626 946050899 /nfs/dbraw/zinc/05/08/99/946050899.db2.gz KKWSOSIMBHELFQ-ZOBORPQBSA-N 0 1 388.497 1.291 20 0 GDADMN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571290626 946050913 /nfs/dbraw/zinc/05/09/13/946050913.db2.gz KKWSOSIMBHELFQ-ZOBORPQBSA-N 0 1 388.497 1.291 20 0 GDADMN CN(C[C@H]1CCCN1C(=O)c1ccc(Cl)o1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571290728 946054584 /nfs/dbraw/zinc/05/45/84/946054584.db2.gz NILXVHKUUKFHCB-SNVBAGLBSA-N 0 1 388.819 1.644 20 0 GDADMN O=C(c1ccoc1Cl)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571291038 946064655 /nfs/dbraw/zinc/06/46/55/946064655.db2.gz YPXXNHQERHCMQA-SNVBAGLBSA-N 0 1 388.819 1.432 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000822535345 946118848 /nfs/dbraw/zinc/11/88/48/946118848.db2.gz NXTYPHRWIAFGLF-WCQYABFASA-N 0 1 381.440 1.914 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000822535345 946118865 /nfs/dbraw/zinc/11/88/65/946118865.db2.gz NXTYPHRWIAFGLF-WCQYABFASA-N 0 1 381.440 1.914 20 0 GDADMN Cc1sc(NC(=O)CN2CCN(C3CCC3)CC2)c(-c2nn[nH]n2)c1C ZINC000822559217 946128652 /nfs/dbraw/zinc/12/86/52/946128652.db2.gz YLLYCRHFEROIMY-UHFFFAOYSA-N 0 1 375.502 1.654 20 0 GDADMN CC[C@H](SC)C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571298579 946221434 /nfs/dbraw/zinc/22/14/34/946221434.db2.gz BDAOKYKNELPFNQ-STQMWFEESA-N 0 1 390.517 1.403 20 0 GDADMN O=C(NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC001571298559 946221710 /nfs/dbraw/zinc/22/17/10/946221710.db2.gz AWEVQTSYNHRUGD-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(NC[C@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC1 ZINC001571298559 946221722 /nfs/dbraw/zinc/22/17/22/946221722.db2.gz AWEVQTSYNHRUGD-UONOGXRCSA-N 0 1 390.513 1.826 20 0 GDADMN CN(C(=O)c1cccc2c1CCC2)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571298956 946235664 /nfs/dbraw/zinc/23/56/64/946235664.db2.gz MJLXUWJDLMAGBP-AWEZNQCLSA-N 0 1 390.451 1.496 20 0 GDADMN CC[C@@H](SC)C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571299179 946240641 /nfs/dbraw/zinc/24/06/41/946240641.db2.gz JMEOENNFNRDPCA-CYBMUJFWSA-N 0 1 390.517 1.261 20 0 GDADMN CN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299147 946241260 /nfs/dbraw/zinc/24/12/60/946241260.db2.gz JDSSRGBQCUHSBD-SUHUHFCYSA-N 0 1 390.879 1.316 20 0 GDADMN CC[C@H](OC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571299737 946258274 /nfs/dbraw/zinc/25/82/74/946258274.db2.gz OZWFNEJKENJFAC-KBXCAEBGSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@H](OC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571299737 946258287 /nfs/dbraw/zinc/25/82/87/946258287.db2.gz OZWFNEJKENJFAC-KBXCAEBGSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@H](OC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571299737 946258297 /nfs/dbraw/zinc/25/82/97/946258297.db2.gz OZWFNEJKENJFAC-KBXCAEBGSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@H](OC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571299737 946258305 /nfs/dbraw/zinc/25/83/05/946258305.db2.gz OZWFNEJKENJFAC-KBXCAEBGSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299741 946259587 /nfs/dbraw/zinc/25/95/87/946259587.db2.gz PAWDXESJCNCZCQ-NGFQHRJXSA-N 0 1 390.513 1.680 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299741 946259600 /nfs/dbraw/zinc/25/96/00/946259600.db2.gz PAWDXESJCNCZCQ-NGFQHRJXSA-N 0 1 390.513 1.680 20 0 GDADMN Cc1nsc(N2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299724 946260314 /nfs/dbraw/zinc/26/03/14/946260314.db2.gz OXMJZEDNHMGKCR-DGCLKSJQSA-N 0 1 390.517 1.011 20 0 GDADMN Cc1nsc(N2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299724 946260323 /nfs/dbraw/zinc/26/03/23/946260323.db2.gz OXMJZEDNHMGKCR-DGCLKSJQSA-N 0 1 390.517 1.011 20 0 GDADMN C[C@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571299885 946263358 /nfs/dbraw/zinc/26/33/58/946263358.db2.gz QGCSZIQBIZAANK-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571299885 946263371 /nfs/dbraw/zinc/26/33/71/946263371.db2.gz QGCSZIQBIZAANK-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001571300068 946271928 /nfs/dbraw/zinc/27/19/28/946271928.db2.gz SQPICFGXNYZIEV-KJBLDROHSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001571300068 946271936 /nfs/dbraw/zinc/27/19/36/946271936.db2.gz SQPICFGXNYZIEV-KJBLDROHSA-N 0 1 390.513 1.729 20 0 GDADMN Cc1nsc(N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c1-c1nn[n-]n1 ZINC001571300191 946275878 /nfs/dbraw/zinc/27/58/78/946275878.db2.gz WLYQKJPGDYOXCH-LBPRGKRZSA-N 0 1 390.517 1.519 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)c1-c1nn[n-]n1 ZINC001571300265 946279265 /nfs/dbraw/zinc/27/92/65/946279265.db2.gz YCOGOMZFEDKQKK-OLZOCXBDSA-N 0 1 390.517 1.519 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)c1-c1nn[n-]n1 ZINC001571300265 946279278 /nfs/dbraw/zinc/27/92/78/946279278.db2.gz YCOGOMZFEDKQKK-OLZOCXBDSA-N 0 1 390.517 1.519 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H](NCc2nccn2C(F)F)C1 ZINC001571302236 946298366 /nfs/dbraw/zinc/29/83/66/946298366.db2.gz SDANWLGNFGYXAL-LLVKDONJSA-N 0 1 391.386 1.181 20 0 GDADMN Cc1ccncc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571302668 946311712 /nfs/dbraw/zinc/31/17/12/946311712.db2.gz DZMQJMOTMDZQMJ-AGUYFDCRSA-N 0 1 391.439 1.290 20 0 GDADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571307390 946422664 /nfs/dbraw/zinc/42/26/64/946422664.db2.gz CYBQLKSZFHRDDD-NWDGAFQWSA-N 0 1 392.414 1.377 20 0 GDADMN O=C([C@H]1CCCCC1(F)F)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571308069 946428923 /nfs/dbraw/zinc/42/89/23/946428923.db2.gz LCXKIRZTNIDHLA-GFCCVEGCSA-N 0 1 392.414 1.521 20 0 GDADMN O=C([C@H]1CCCCC1(F)F)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571308069 946428931 /nfs/dbraw/zinc/42/89/31/946428931.db2.gz LCXKIRZTNIDHLA-GFCCVEGCSA-N 0 1 392.414 1.521 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)[C@H]1C[C@@H]1C(F)F ZINC001571308257 946431258 /nfs/dbraw/zinc/43/12/58/946431258.db2.gz NLUWWOIQAVYKCB-BTFPBAQTSA-N 0 1 392.385 1.453 20 0 GDADMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C3CC3)on2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571310148 946464103 /nfs/dbraw/zinc/46/41/03/946464103.db2.gz WXFJTVHTQHGTNZ-LAQFHYBYSA-N 0 1 392.423 1.300 20 0 GDADMN CC(C)n1cccc1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571310333 946469434 /nfs/dbraw/zinc/46/94/34/946469434.db2.gz BRKXFPBMXALIQM-GASCZTMLSA-N 0 1 392.467 1.853 20 0 GDADMN Cc1cccc(CC(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)c1 ZINC001571310614 946477142 /nfs/dbraw/zinc/47/71/42/946477142.db2.gz KRNWOQBIZKNPRM-RTBURBONSA-N 0 1 392.463 1.079 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)n1C ZINC001571314890 946544881 /nfs/dbraw/zinc/54/48/81/946544881.db2.gz CWIOVBAXJFFBOP-KRWDZBQOSA-N 0 1 392.467 1.698 20 0 GDADMN Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)c3ccncc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315146 946546698 /nfs/dbraw/zinc/54/66/98/946546698.db2.gz GSBILOGXSQFCQI-HUUCEWRRSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315009 946548324 /nfs/dbraw/zinc/54/83/24/946548324.db2.gz GJKFKKCKAPHLCC-HOCLYGCPSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cc(N2CCCN(C(=O)Cc3cnccc3C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315402 946553054 /nfs/dbraw/zinc/55/30/54/946553054.db2.gz JMZYYTUNDLSHJZ-UHFFFAOYSA-N 0 1 392.467 1.555 20 0 GDADMN Cc1cc(C)cc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c1 ZINC001571316021 946564289 /nfs/dbraw/zinc/56/42/89/946564289.db2.gz SAKZKCXUUMKQHC-GDBMZVCRSA-N 0 1 392.467 1.339 20 0 GDADMN Cc1ccnc(C(=O)N[C@H]2CC[C@@H](C)N(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571316467 946575966 /nfs/dbraw/zinc/57/59/66/946575966.db2.gz DAVCIUKMPPLAKH-PBHICJAKSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1ncncc1C(=O)N[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001571316545 946579238 /nfs/dbraw/zinc/57/92/38/946579238.db2.gz FXZFDNRMHLTIRM-KRWDZBQOSA-N 0 1 392.467 1.606 20 0 GDADMN Cc1cnc(C(=O)NCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)cc1C ZINC001571316519 946579350 /nfs/dbraw/zinc/57/93/50/946579350.db2.gz FJLGYTGSXGQIQP-UHFFFAOYSA-N 0 1 392.467 1.920 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571316657 946585677 /nfs/dbraw/zinc/58/56/77/946585677.db2.gz JGKIVZDJQOWEDH-JKSUJKDBSA-N 0 1 392.467 1.484 20 0 GDADMN O=C(NC[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@H]1CCn2ccnc2C1 ZINC001571317151 946601612 /nfs/dbraw/zinc/60/16/12/946601612.db2.gz WREMTJZSCFGCLI-GOEBONIOSA-N 0 1 392.467 1.016 20 0 GDADMN NC(=O)Cc1ccc(CNC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)cc1 ZINC001571317756 946619930 /nfs/dbraw/zinc/61/99/30/946619930.db2.gz UICLEHDWONLPGP-UHFFFAOYSA-N 0 1 392.832 1.326 20 0 GDADMN C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506084 946752274 /nfs/dbraw/zinc/75/22/74/946752274.db2.gz LAOQHYQGWCOPPS-ZFWWWQNUSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824506084 946752279 /nfs/dbraw/zinc/75/22/79/946752279.db2.gz LAOQHYQGWCOPPS-ZFWWWQNUSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824506084 946752286 /nfs/dbraw/zinc/75/22/86/946752286.db2.gz LAOQHYQGWCOPPS-ZFWWWQNUSA-N 0 1 395.471 1.632 20 0 GDADMN C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824506084 946752291 /nfs/dbraw/zinc/75/22/91/946752291.db2.gz LAOQHYQGWCOPPS-ZFWWWQNUSA-N 0 1 395.471 1.632 20 0 GDADMN CCCn1cc(CN2CCCN(c3nccc(C)c3-c3nn[nH]n3)CC2)cn1 ZINC000825362257 947165091 /nfs/dbraw/zinc/16/50/91/947165091.db2.gz LGMFRVRSVUMVSY-UHFFFAOYSA-N 0 1 381.488 1.889 20 0 GDADMN C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585955 947274205 /nfs/dbraw/zinc/27/42/05/947274205.db2.gz KCMIKTVIUFQSCL-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573585955 947274213 /nfs/dbraw/zinc/27/42/13/947274213.db2.gz KCMIKTVIUFQSCL-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCCCC1 ZINC001573586362 947285435 /nfs/dbraw/zinc/28/54/35/947285435.db2.gz OXGLZXDPAKNVNT-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(C)(F)F ZINC001573593075 947361088 /nfs/dbraw/zinc/36/10/88/947361088.db2.gz IHCQMHVWKIHKRR-KOLCDFICSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccn1 ZINC001573596968 947433536 /nfs/dbraw/zinc/43/35/36/947433536.db2.gz MFZXYWARSQEMLR-WMLDXEAASA-N 0 1 380.456 1.357 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573615615 947606694 /nfs/dbraw/zinc/60/66/94/947606694.db2.gz TYOUOKHQEQRWNE-YUELXQCFSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573617410 947635704 /nfs/dbraw/zinc/63/57/04/947635704.db2.gz OZOXUOXZFKCGKX-KGLIPLIRSA-N 0 1 381.440 1.943 20 0 GDADMN C[C@@H](C(=O)N1CCC(c2nc(C3CCC3)no2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573623450 947688609 /nfs/dbraw/zinc/68/86/09/947688609.db2.gz FXPMUIYGWGDDOJ-JTQLQIEISA-N 0 1 398.431 1.076 20 0 GDADMN C/C(=C\C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1)C1CC1 ZINC001573361528 947691183 /nfs/dbraw/zinc/69/11/83/947691183.db2.gz ATTYRMNCKYAJSD-JLHYYAGUSA-N 0 1 390.451 1.663 20 0 GDADMN CC(=O)CCCC(=O)N(C)[C@@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573366920 947750775 /nfs/dbraw/zinc/75/07/75/947750775.db2.gz VIHLHNQRCXYETL-QMMMGPOBSA-N 0 1 385.881 1.995 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573628811 947765273 /nfs/dbraw/zinc/76/52/73/947765273.db2.gz KITZWLBOBPYFPU-KZULUSFZSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573628811 947765279 /nfs/dbraw/zinc/76/52/79/947765279.db2.gz KITZWLBOBPYFPU-KZULUSFZSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1Cc1ccc(O)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573629372 947777474 /nfs/dbraw/zinc/77/74/74/947777474.db2.gz SHTAWLWHSIOZML-GXTWGEPZSA-N 0 1 382.428 1.349 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573640095 947850693 /nfs/dbraw/zinc/85/06/93/947850693.db2.gz FKAVMCBWPKFVOF-YPMHNXCESA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573640095 947850698 /nfs/dbraw/zinc/85/06/98/947850698.db2.gz FKAVMCBWPKFVOF-YPMHNXCESA-N 0 1 376.486 1.291 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1)C1CCCC1 ZINC001573647509 947897416 /nfs/dbraw/zinc/89/74/16/947897416.db2.gz NDMFLLKOPBVIAA-VNHYZAJKSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651257 947919216 /nfs/dbraw/zinc/91/92/16/947919216.db2.gz KPHLSRKMRFIPGW-USBNGQNGSA-N 0 1 392.414 1.233 20 0 GDADMN C[C@@H](C(=O)N=[S@](C)(=O)c1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573652294 947934318 /nfs/dbraw/zinc/93/43/18/947934318.db2.gz WVHFXUXHTOEZRU-HUVZLPTESA-N 0 1 380.821 1.356 20 0 GDADMN C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573652868 947949431 /nfs/dbraw/zinc/94/94/31/947949431.db2.gz HSUPORXCZCWWHH-GXFFZTMASA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](C(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)C(C)(F)F ZINC001573654251 947963980 /nfs/dbraw/zinc/96/39/80/947963980.db2.gz QGCCWAUHBLHJCI-MGPLVRAMSA-N 0 1 379.415 1.672 20 0 GDADMN C[C@H](C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1)C1CC1 ZINC001573660269 948019597 /nfs/dbraw/zinc/01/95/97/948019597.db2.gz ZDHNNKDUXKRKMV-LBPRGKRZSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H](C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1)C1CC1 ZINC001573660269 948019606 /nfs/dbraw/zinc/01/96/06/948019606.db2.gz ZDHNNKDUXKRKMV-LBPRGKRZSA-N 0 1 390.513 1.729 20 0 GDADMN CC(=O)N(CC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1)c1ccccc1 ZINC001573413553 948081651 /nfs/dbraw/zinc/08/16/51/948081651.db2.gz AZQXWXRALQDCRN-UHFFFAOYSA-N 0 1 377.817 1.968 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573670342 948101668 /nfs/dbraw/zinc/10/16/68/948101668.db2.gz AYVKKARVASQFHA-KSSFIOAISA-N 0 1 377.452 1.756 20 0 GDADMN C[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573681441 948203440 /nfs/dbraw/zinc/20/34/40/948203440.db2.gz WYBOCPMLHPPKIV-NWDGAFQWSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573681441 948203447 /nfs/dbraw/zinc/20/34/47/948203447.db2.gz WYBOCPMLHPPKIV-NWDGAFQWSA-N 0 1 388.501 1.402 20 0 GDADMN C[C@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCCCC1 ZINC001573681643 948211183 /nfs/dbraw/zinc/21/11/83/948211183.db2.gz YHQDSKYMWXAUSK-LSDHHAIUSA-N 0 1 386.504 1.467 20 0 GDADMN O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000826397767 948211484 /nfs/dbraw/zinc/21/14/84/948211484.db2.gz KIYGUZFXEPNETA-LJQANCHMSA-N 0 1 392.463 1.635 20 0 GDADMN C[C@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCCC1 ZINC001573681897 948217586 /nfs/dbraw/zinc/21/75/86/948217586.db2.gz YOHYPPPGKPIFRX-WFASDCNBSA-N 0 1 390.463 1.399 20 0 GDADMN C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCC1 ZINC001573694642 948295536 /nfs/dbraw/zinc/29/55/36/948295536.db2.gz CRMDXVOGXKVTPH-XIKOKIGWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCC1 ZINC001573694642 948295544 /nfs/dbraw/zinc/29/55/44/948295544.db2.gz CRMDXVOGXKVTPH-XIKOKIGWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573703573 948356984 /nfs/dbraw/zinc/35/69/84/948356984.db2.gz LBVJICKADIPHFU-CABCVRRESA-N 0 1 392.467 1.793 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573704019 948361045 /nfs/dbraw/zinc/36/10/45/948361045.db2.gz NZYMWYODTWBUFH-UWVGGRQHSA-N 0 1 384.366 1.188 20 0 GDADMN O=C1[C@H](N2CCC(c3nnc[nH]3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476356 948380125 /nfs/dbraw/zinc/38/01/25/948380125.db2.gz GCALQLSEJFNRAH-MRXNPFEDSA-N 0 1 393.455 1.360 20 0 GDADMN C[C@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)[NH+]1CCCCCC1 ZINC001573716289 948498747 /nfs/dbraw/zinc/49/87/47/948498747.db2.gz GACBDTPDILKCCJ-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)[NH+]1CCCCCC1 ZINC001573716289 948498748 /nfs/dbraw/zinc/49/87/48/948498748.db2.gz GACBDTPDILKCCJ-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cccn1 ZINC001573719667 948526636 /nfs/dbraw/zinc/52/66/36/948526636.db2.gz MPLGDIOHXIQTRO-GFCCVEGCSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001573755129 948757830 /nfs/dbraw/zinc/75/78/30/948757830.db2.gz ARUFIEPDETUNOW-GFCCVEGCSA-N 0 1 381.444 1.295 20 0 GDADMN C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755129 948757834 /nfs/dbraw/zinc/75/78/34/948757834.db2.gz ARUFIEPDETUNOW-GFCCVEGCSA-N 0 1 381.444 1.295 20 0 GDADMN C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755129 948757843 /nfs/dbraw/zinc/75/78/43/948757843.db2.gz ARUFIEPDETUNOW-GFCCVEGCSA-N 0 1 381.444 1.295 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575222802 948762230 /nfs/dbraw/zinc/76/22/30/948762230.db2.gz KMBPOYMOXPQDFO-LLVKDONJSA-N 0 1 377.399 1.522 20 0 GDADMN C[C@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755798 948782702 /nfs/dbraw/zinc/78/27/02/948782702.db2.gz IPDWEHYEDKXIEL-SECBINFHSA-N 0 1 380.347 1.254 20 0 GDADMN CC(C)[C@@H](F)C(=O)NCCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574080139 948785334 /nfs/dbraw/zinc/78/53/34/948785334.db2.gz ICKNHJZWTWDCQK-MRXNPFEDSA-N 0 1 375.452 1.979 20 0 GDADMN CC(F)(F)CC(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001575224493 948788599 /nfs/dbraw/zinc/78/85/99/948788599.db2.gz OHBFLMIHYIOEKW-NEPJUHHUSA-N 0 1 377.399 1.592 20 0 GDADMN CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001575227098 948825358 /nfs/dbraw/zinc/82/53/58/948825358.db2.gz RWNRHJUCEQEROC-KRWDZBQOSA-N 0 1 377.399 1.736 20 0 GDADMN CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001574424550 948851896 /nfs/dbraw/zinc/85/18/96/948851896.db2.gz PNMYCBCWYJLMAB-NSHDSACASA-N 0 1 387.469 1.071 20 0 GDADMN CC(C)c1nc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574424565 948853493 /nfs/dbraw/zinc/85/34/93/948853493.db2.gz QDNSTWFNEZOUON-JTQLQIEISA-N 0 1 387.473 1.491 20 0 GDADMN C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574918786 948857469 /nfs/dbraw/zinc/85/74/69/948857469.db2.gz QHIPRKUTMHNFDH-ZDUSSCGKSA-N 0 1 381.444 1.016 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234849 948909681 /nfs/dbraw/zinc/90/96/81/948909681.db2.gz HLHFZPDIXTVXJC-VXGBXAGGSA-N 0 1 392.414 1.519 20 0 GDADMN CC(C)(C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001573765476 948912931 /nfs/dbraw/zinc/91/29/31/948912931.db2.gz JFIJLIWMGMLRGC-UHFFFAOYSA-N 0 1 392.467 1.673 20 0 GDADMN CC(C)c1ncc(CNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)[nH]1 ZINC001574427847 948913404 /nfs/dbraw/zinc/91/34/04/948913404.db2.gz SAUHJMGIXMJJQP-UHFFFAOYSA-N 0 1 379.421 1.472 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575235484 948919934 /nfs/dbraw/zinc/91/99/34/948919934.db2.gz MIYBWLUEVPJNOR-NEPJUHHUSA-N 0 1 392.414 1.662 20 0 GDADMN CC(C)(C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573765711 948920933 /nfs/dbraw/zinc/92/09/33/948920933.db2.gz ZKTVUHHSKGTSEN-UHFFFAOYSA-N 0 1 384.366 1.284 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574432508 948937152 /nfs/dbraw/zinc/93/71/52/948937152.db2.gz LQTIOCHBXRLOIC-HNNXBMFYSA-N 0 1 392.467 1.784 20 0 GDADMN CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573771316 948940113 /nfs/dbraw/zinc/94/01/13/948940113.db2.gz FYSKTVPIKJGFOG-FGWVZKOKSA-N 0 1 392.414 1.564 20 0 GDADMN CC(C)[C@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089371 948955229 /nfs/dbraw/zinc/95/52/29/948955229.db2.gz JPHFAIODFDLSAQ-DJJJIMSYSA-N 0 1 384.488 1.814 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575239046 948958568 /nfs/dbraw/zinc/95/85/68/948958568.db2.gz PRLVNWWXNOEUIW-GHMZBOCLSA-N 0 1 380.403 1.353 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(F)F ZINC001573772566 948962746 /nfs/dbraw/zinc/96/27/46/948962746.db2.gz UZTXZVPMCMMYDI-SNVBAGLBSA-N 0 1 392.414 1.423 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573772603 948965207 /nfs/dbraw/zinc/96/52/07/948965207.db2.gz VWMSEZJQPWOEMT-VHSXEESVSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574925995 948980457 /nfs/dbraw/zinc/98/04/57/948980457.db2.gz FYEHLCLLBDVVEX-VIFPVBQESA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[N@H+](C)CC(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574925995 948980471 /nfs/dbraw/zinc/98/04/71/948980471.db2.gz FYEHLCLLBDVVEX-VIFPVBQESA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001574090855 948997968 /nfs/dbraw/zinc/99/79/68/948997968.db2.gz JQPGPILABHMDQB-KBPBESRZSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)Cc1[nH]nc2ccccc21 ZINC001574690472 949003430 /nfs/dbraw/zinc/00/34/30/949003430.db2.gz PCOCYGWDUDVIIQ-GFCCVEGCSA-N 0 1 391.439 1.687 20 0 GDADMN CC(C)[C@]1(C)C[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091667 949025339 /nfs/dbraw/zinc/02/53/39/949025339.db2.gz PZSJMHNKFODEOD-UGSOOPFHSA-N 0 1 384.488 1.459 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574692769 949040337 /nfs/dbraw/zinc/04/03/37/949040337.db2.gz BXZGHYNACFUMPB-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091921 949041267 /nfs/dbraw/zinc/04/12/67/949041267.db2.gz MUHGUJOIWIYIDT-LSDHHAIUSA-N 0 1 384.488 1.411 20 0 GDADMN CC(C)c1nocc1C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574442715 949099467 /nfs/dbraw/zinc/09/94/67/949099467.db2.gz RQIBPHPCOFBSPX-UHFFFAOYSA-N 0 1 387.419 1.979 20 0 GDADMN C[C@@H](CNC(=O)COCC1CC1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574931115 949113459 /nfs/dbraw/zinc/11/34/59/949113459.db2.gz NNELSGUXJXOMLU-QMMMGPOBSA-N 0 1 385.881 1.567 20 0 GDADMN CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001574445991 949114583 /nfs/dbraw/zinc/11/45/83/949114583.db2.gz DZMKEOGGSXXEBT-RYUDHWBXSA-N 0 1 380.412 1.476 20 0 GDADMN CC(C)(C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573782023 949116570 /nfs/dbraw/zinc/11/65/70/949116570.db2.gz OTAVGDZDLWXOSH-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573782505 949123163 /nfs/dbraw/zinc/12/31/63/949123163.db2.gz APDBKTGJPXHQMR-CTYIDZIISA-N 0 1 392.467 1.363 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573782524 949123553 /nfs/dbraw/zinc/12/35/53/949123553.db2.gz BODDKWIDZNNTKQ-NXEZZACHSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001574094231 949132657 /nfs/dbraw/zinc/13/26/57/949132657.db2.gz YGTGKWNZPIIUON-CVEARBPZSA-N 0 1 392.467 1.599 20 0 GDADMN C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574934291 949154390 /nfs/dbraw/zinc/15/43/90/949154390.db2.gz DKQFEMPVBFWIKI-NSHDSACASA-N 0 1 387.831 1.333 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574447688 949170209 /nfs/dbraw/zinc/17/02/09/949170209.db2.gz XRACQWLKWCLUAU-HAQNSBGRSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575253155 949182955 /nfs/dbraw/zinc/18/29/55/949182955.db2.gz SSNSJCGYGBYICN-OLZOCXBDSA-N 0 1 387.488 1.442 20 0 GDADMN C[C@H](CNC(=O)COc1ccsc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574935114 949194990 /nfs/dbraw/zinc/19/49/90/949194990.db2.gz ZIUOILIQJDKASE-LLVKDONJSA-N 0 1 390.444 1.741 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001574451157 949215783 /nfs/dbraw/zinc/21/57/83/949215783.db2.gz FFIGPJAJKHPWKK-LBPRGKRZSA-N 0 1 382.428 1.629 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698935 949218236 /nfs/dbraw/zinc/21/82/36/949218236.db2.gz QERSJCDNHWINLZ-NEPJUHHUSA-N 0 1 378.502 1.680 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698935 949218266 /nfs/dbraw/zinc/21/82/66/949218266.db2.gz QERSJCDNHWINLZ-NEPJUHHUSA-N 0 1 378.502 1.680 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575516986 949224510 /nfs/dbraw/zinc/22/45/10/949224510.db2.gz SIOCVZLUDJHGQS-QWHCGFSZSA-N 0 1 381.444 1.330 20 0 GDADMN CC(C)c1scnc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574451327 949227819 /nfs/dbraw/zinc/22/78/19/949227819.db2.gz MNRGIDIRWSXROR-NSHDSACASA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574938377 949240936 /nfs/dbraw/zinc/24/09/36/949240936.db2.gz UNQBUOCKPTVLAJ-OIISXLGYSA-N 0 1 391.479 1.869 20 0 GDADMN CC(C)c1oncc1C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574451785 949242715 /nfs/dbraw/zinc/24/27/15/949242715.db2.gz YOFOBJXQIMURJI-UHFFFAOYSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574105436 949259296 /nfs/dbraw/zinc/25/92/96/949259296.db2.gz BAQJWTCPCRKRHY-LSDHHAIUSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(C)CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574701552 949265576 /nfs/dbraw/zinc/26/55/76/949265576.db2.gz BSHMXOZQEXBFIQ-ZDUSSCGKSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)(C)C(=O)N(CCNc1ccnc(-c2nn[nH]n2)n1)Cc1ccccc1 ZINC001573792877 949271344 /nfs/dbraw/zinc/27/13/44/949271344.db2.gz HEXFFNLDIPWVRT-UHFFFAOYSA-N 0 1 380.456 1.565 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574452978 949275446 /nfs/dbraw/zinc/27/54/46/949275446.db2.gz UGSFUYKUAFWEBB-CYBMUJFWSA-N 0 1 381.444 1.035 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574702839 949296527 /nfs/dbraw/zinc/29/65/27/949296527.db2.gz MRDFASKIJPJOGT-RBZFPXEDSA-N 0 1 392.467 1.242 20 0 GDADMN CC1=C(C)C[C@H](C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575860493 949302825 /nfs/dbraw/zinc/30/28/25/949302825.db2.gz JHJNEOYJURTNAB-HUUCEWRRSA-N 0 1 382.472 1.736 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574942173 949335963 /nfs/dbraw/zinc/33/59/63/949335963.db2.gz XCFQDTPKWPCNSS-LLVKDONJSA-N 0 1 387.394 1.724 20 0 GDADMN C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260140 949348755 /nfs/dbraw/zinc/34/87/55/949348755.db2.gz UZGPWDXFVATHHT-OLZOCXBDSA-N 0 1 384.444 1.072 20 0 GDADMN CC(C)n1ccc(CNC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C2CC2)n1 ZINC001574460170 949370748 /nfs/dbraw/zinc/37/07/48/949370748.db2.gz RJFCXXXVOJMGKB-MRXNPFEDSA-N 0 1 383.460 1.270 20 0 GDADMN CC(C)n1cccc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574460182 949373323 /nfs/dbraw/zinc/37/33/23/949373323.db2.gz RTCGBQBGLXMMFK-UHFFFAOYSA-N 0 1 383.460 1.638 20 0 GDADMN C[C@H](NC(=O)C1CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575262820 949384402 /nfs/dbraw/zinc/38/44/02/949384402.db2.gz CJRYDXFYFLKAKK-NSHDSACASA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575263589 949404243 /nfs/dbraw/zinc/40/42/43/949404243.db2.gz IHGXMEXCOGBAQP-GHMZBOCLSA-N 0 1 383.378 1.935 20 0 GDADMN CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575537732 949497282 /nfs/dbraw/zinc/49/72/82/949497282.db2.gz ARNFHYGSVNOQSW-KGLIPLIRSA-N 0 1 382.472 1.664 20 0 GDADMN C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576158818 949504481 /nfs/dbraw/zinc/50/44/81/949504481.db2.gz UTJWZUCGKMWLOK-ZIAGYGMSSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4ccncc4-c4nn[nH]n4)C3)C2)CCOC1 ZINC001575538907 949539129 /nfs/dbraw/zinc/53/91/29/949539129.db2.gz KXCNJLQUBLUDEI-RTBURBONSA-N 0 1 383.456 1.117 20 0 GDADMN C[C@@H](NC(=O)C[C@@H]1CCCO1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575269302 949546405 /nfs/dbraw/zinc/54/64/05/949546405.db2.gz SUYXLXMLGRVLOZ-WBMJQRKESA-N 0 1 388.447 1.511 20 0 GDADMN C[C@@H](NC(=O)C[C@@H]1CCCCO1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269870 949567267 /nfs/dbraw/zinc/56/72/67/949567267.db2.gz XESYNQUJROMFOU-KDOFPFPSSA-N 0 1 384.484 1.762 20 0 GDADMN C[C@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873288 949578406 /nfs/dbraw/zinc/57/84/06/949578406.db2.gz AVCRBUBVAIFVAB-UONOGXRCSA-N 0 1 381.444 1.022 20 0 GDADMN C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575874148 949605285 /nfs/dbraw/zinc/60/52/85/949605285.db2.gz RSRUEFYEIGZZQI-DZGCQCFKSA-N 0 1 378.440 1.429 20 0 GDADMN CC(C)[C@@H](C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1)[NH+](C)C ZINC001574958220 949660325 /nfs/dbraw/zinc/66/03/25/949660325.db2.gz OMPQLJLAFYHIHY-IUCAKERBSA-N 0 1 386.913 1.479 20 0 GDADMN CC(C)[C@@H](C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1)[NH+](C)C ZINC001574958220 949660337 /nfs/dbraw/zinc/66/03/37/949660337.db2.gz OMPQLJLAFYHIHY-IUCAKERBSA-N 0 1 386.913 1.479 20 0 GDADMN C[C@@H](CC(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001574477534 949661305 /nfs/dbraw/zinc/66/13/05/949661305.db2.gz OWAVUZGQBLZRPB-LBPRGKRZSA-N 0 1 384.419 1.282 20 0 GDADMN C[C@H](NC(=O)CCCCc1cn[nH]n1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575273801 949673172 /nfs/dbraw/zinc/67/31/72/949673172.db2.gz YDLGDZNMUNNIGB-RYUDHWBXSA-N 0 1 384.448 1.098 20 0 GDADMN C[C@H](CC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574477724 949676166 /nfs/dbraw/zinc/67/61/66/949676166.db2.gz UMLSKHGVNCURKU-CQSZACIVSA-N 0 1 380.456 1.745 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+](C)C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574716775 949709793 /nfs/dbraw/zinc/70/97/93/949709793.db2.gz LVNAZOHPSJMGDG-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN C[C@@H](CN(C)C(=O)CCC[NH+](C)C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574716775 949709804 /nfs/dbraw/zinc/70/98/04/949709804.db2.gz LVNAZOHPSJMGDG-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001574133429 949710455 /nfs/dbraw/zinc/71/04/55/949710455.db2.gz DEODMVDJLPXLGM-KFWWJZLASA-N 0 1 384.488 1.624 20 0 GDADMN C[C@H](CN(C)C(=O)CCC[NH+](C)C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574716989 949717578 /nfs/dbraw/zinc/71/75/78/949717578.db2.gz NIQLTJKBNAOUDZ-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H]1CCCC[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576171696 949777313 /nfs/dbraw/zinc/77/73/13/949777313.db2.gz RDBOPFYYVJVJAL-UONOGXRCSA-N 0 1 384.488 1.603 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576171791 949782788 /nfs/dbraw/zinc/78/27/88/949782788.db2.gz SGMADVQJCQKSMR-WBMJQRKESA-N 0 1 381.444 1.267 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)ccc(F)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574964928 949791361 /nfs/dbraw/zinc/79/13/61/949791361.db2.gz CCMUWEROBYXISK-QMMMGPOBSA-N 0 1 377.330 1.331 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574720646 949800248 /nfs/dbraw/zinc/80/02/48/949800248.db2.gz FIDASKDXBVDPHI-CYBMUJFWSA-N 0 1 383.431 1.714 20 0 GDADMN C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574965698 949811373 /nfs/dbraw/zinc/81/13/73/949811373.db2.gz JOCQVMVJCCZNMV-FXHACXQTSA-N 0 1 388.447 1.559 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCCOC1 ZINC001575561783 949815405 /nfs/dbraw/zinc/81/54/05/949815405.db2.gz CKFFKEOFPIAKHZ-FXAWDEMLSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@@H](CN(C)C(=O)CCn1cccn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725014 949889040 /nfs/dbraw/zinc/88/90/40/949889040.db2.gz NFVURPUNWZOEAB-ZDUSSCGKSA-N 0 1 386.435 1.229 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575284167 949895718 /nfs/dbraw/zinc/89/57/18/949895718.db2.gz HYJSWGRMVFBYNA-LSDHHAIUSA-N 0 1 386.504 1.323 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575284167 949895740 /nfs/dbraw/zinc/89/57/40/949895740.db2.gz HYJSWGRMVFBYNA-LSDHHAIUSA-N 0 1 386.504 1.323 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574484887 949910513 /nfs/dbraw/zinc/91/05/13/949910513.db2.gz QUXIOETYTGGHDN-GDBMZVCRSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725908 949914723 /nfs/dbraw/zinc/91/47/23/949914723.db2.gz VSDVNTBDDATHKM-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ncccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725908 949914745 /nfs/dbraw/zinc/91/47/45/949914745.db2.gz VSDVNTBDDATHKM-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1nccn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574726219 949928986 /nfs/dbraw/zinc/92/89/86/949928986.db2.gz XUADOQLJOKQRQD-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574487651 949932907 /nfs/dbraw/zinc/93/29/07/949932907.db2.gz APPKLFARHOLFGO-UMVBOHGHSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](CN(C)C(=O)COCC(F)F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574726836 949944476 /nfs/dbraw/zinc/94/44/76/949944476.db2.gz LSSREEZAENYMAX-SNVBAGLBSA-N 0 1 386.378 1.224 20 0 GDADMN CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573829976 949965114 /nfs/dbraw/zinc/96/51/14/949965114.db2.gz GFOCQPFJXXVBNE-LJQANCHMSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@H](CN(C)C(=O)COc1ccccc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574727640 949974630 /nfs/dbraw/zinc/97/46/30/949974630.db2.gz WSARHBZFURYZOU-CYBMUJFWSA-N 0 1 386.481 1.944 20 0 GDADMN C[C@H](CN(C)C(=O)COc1ccccc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574727640 949974638 /nfs/dbraw/zinc/97/46/38/949974638.db2.gz WSARHBZFURYZOU-CYBMUJFWSA-N 0 1 386.481 1.944 20 0 GDADMN CC(C)(C)CC(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573830405 949974894 /nfs/dbraw/zinc/97/48/94/949974894.db2.gz MAPKLTVSJLXPOM-LJQANCHMSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574489980 949976290 /nfs/dbraw/zinc/97/62/90/949976290.db2.gz MIIXUWAWCYZVNN-AAEUAGOBSA-N 0 1 382.428 1.172 20 0 GDADMN CC(C)(C)CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001573834098 950013717 /nfs/dbraw/zinc/01/37/17/950013717.db2.gz FYCMIOQJOMOKLU-STQMWFEESA-N 0 1 378.502 1.416 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ncc[nH]1 ZINC001574150317 950025553 /nfs/dbraw/zinc/02/55/53/950025553.db2.gz BGJYHJACGJIQCP-GFCCVEGCSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnns1 ZINC001574151069 950055219 /nfs/dbraw/zinc/05/52/19/950055219.db2.gz KMLVAWYKUGCYEY-SNVBAGLBSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnns1 ZINC001574151069 950055238 /nfs/dbraw/zinc/05/52/38/950055238.db2.gz KMLVAWYKUGCYEY-SNVBAGLBSA-N 0 1 392.514 1.714 20 0 GDADMN CC1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCC2)CCOCC1 ZINC001575575892 950062022 /nfs/dbraw/zinc/06/20/22/950062022.db2.gz MYBJOUCPNSIRIN-UHFFFAOYSA-N 0 1 390.513 1.873 20 0 GDADMN CC1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCC2)CCOCC1 ZINC001575575892 950062041 /nfs/dbraw/zinc/06/20/41/950062041.db2.gz MYBJOUCPNSIRIN-UHFFFAOYSA-N 0 1 390.513 1.873 20 0 GDADMN CC(C)C[C@H](CN[C@@H](C)c1cnccn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151264 950063114 /nfs/dbraw/zinc/06/31/14/950063114.db2.gz OIQFAMLHRXHICQ-GXTWGEPZSA-N 0 1 383.460 1.480 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](O)C(C)C ZINC001574151422 950074671 /nfs/dbraw/zinc/07/46/71/950074671.db2.gz QYACQGKLSKXAFR-DOTOQJQBSA-N 0 1 392.479 1.643 20 0 GDADMN C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574492303 950075163 /nfs/dbraw/zinc/07/51/63/950075163.db2.gz LXMIDVZETNGWSQ-CQSZACIVSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733050 950089357 /nfs/dbraw/zinc/08/93/57/950089357.db2.gz QRJMVXGVZCXONK-KBPBESRZSA-N 0 1 380.456 1.216 20 0 GDADMN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCCCC1 ZINC001575577967 950091311 /nfs/dbraw/zinc/09/13/11/950091311.db2.gz ZLYQWWJHAPPSCS-ZDUSSCGKSA-N 0 1 392.529 1.855 20 0 GDADMN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCCCC1 ZINC001575577967 950091327 /nfs/dbraw/zinc/09/13/27/950091327.db2.gz ZLYQWWJHAPPSCS-ZDUSSCGKSA-N 0 1 392.529 1.855 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574733968 950121961 /nfs/dbraw/zinc/12/19/61/950121961.db2.gz IEBFLUHKUMCAGB-VHDGCEQUSA-N 0 1 378.440 1.141 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575896820 950135514 /nfs/dbraw/zinc/13/55/14/950135514.db2.gz NRXGOMSWJKCJNC-SMDDNHRTSA-N 0 1 386.485 1.445 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897623 950140665 /nfs/dbraw/zinc/14/06/65/950140665.db2.gz PILKUZANSIJMHJ-CXAGYDPISA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575898224 950152305 /nfs/dbraw/zinc/15/23/05/950152305.db2.gz RXSIFLDBERNCII-DYVFJYSZSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574494238 950155526 /nfs/dbraw/zinc/15/55/26/950155526.db2.gz YBGDOJLCAJCFNG-PNESKVBLSA-N 0 1 382.428 1.172 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001574154690 950173196 /nfs/dbraw/zinc/17/31/96/950173196.db2.gz GATGMYJQICPVRV-ZNMIVQPWSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(CF)CCC1 ZINC001574154496 950174394 /nfs/dbraw/zinc/17/43/94/950174394.db2.gz FCMIEDIWVGECLJ-GFCCVEGCSA-N 0 1 376.440 1.161 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CN[C@@H](C)c1nc(C2CC2)no1 ZINC001574983538 950222596 /nfs/dbraw/zinc/22/25/96/950222596.db2.gz PEJHYYRIANRYQO-ZJUUUORDSA-N 0 1 385.432 1.172 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574740708 950228694 /nfs/dbraw/zinc/22/86/94/950228694.db2.gz FGIAVUMVOQRCHR-XDTLVQLUSA-N 0 1 382.390 1.844 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573845543 950230594 /nfs/dbraw/zinc/23/05/94/950230594.db2.gz GNCLGMDPXXFEAL-MELADBBJSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575589178 950260140 /nfs/dbraw/zinc/26/01/40/950260140.db2.gz VOVSHXRGETVMBE-LLVKDONJSA-N 0 1 377.399 1.640 20 0 GDADMN C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCCO1 ZINC001574498440 950276800 /nfs/dbraw/zinc/27/68/00/950276800.db2.gz NHOKJPBHJSGMFQ-JSGCOSHPSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC001576193937 950324441 /nfs/dbraw/zinc/32/44/41/950324441.db2.gz WOXTVRMCDAOOAC-CXAGYDPISA-N 0 1 384.488 1.252 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC001576193937 950324464 /nfs/dbraw/zinc/32/44/64/950324464.db2.gz WOXTVRMCDAOOAC-CXAGYDPISA-N 0 1 384.488 1.252 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cscn1 ZINC001575907384 950336427 /nfs/dbraw/zinc/33/64/27/950336427.db2.gz NUGKDRUWDWCBLJ-GXSJLCMTSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cscn1 ZINC001575907384 950336444 /nfs/dbraw/zinc/33/64/44/950336444.db2.gz NUGKDRUWDWCBLJ-GXSJLCMTSA-N 0 1 375.483 1.778 20 0 GDADMN CC1CC[NH+](CC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001576196411 950361459 /nfs/dbraw/zinc/36/14/59/950361459.db2.gz CQWLLISQQWOELM-MRXNPFEDSA-N 0 1 384.488 1.397 20 0 GDADMN CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575596064 950366441 /nfs/dbraw/zinc/36/64/41/950366441.db2.gz RRDITIHZSROFBI-HNNXBMFYSA-N 0 1 390.451 1.677 20 0 GDADMN CC1(C(=O)NCC[C@H](Cc2ccccc2)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575596918 950392535 /nfs/dbraw/zinc/39/25/35/950392535.db2.gz WENSMWHTJRCLDQ-OAHLLOKOSA-N 0 1 392.467 1.408 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575597297 950406599 /nfs/dbraw/zinc/40/65/99/950406599.db2.gz OGKNNZRXAHZSNQ-JCGVRSQUSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575597297 950406611 /nfs/dbraw/zinc/40/66/11/950406611.db2.gz OGKNNZRXAHZSNQ-JCGVRSQUSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)Cc1cc(F)cc(F)c1 ZINC001574991602 950411859 /nfs/dbraw/zinc/41/18/59/950411859.db2.gz PCAIENZSNXQOBH-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574503701 950419375 /nfs/dbraw/zinc/41/93/75/950419375.db2.gz YTSAURIDEJJRHB-HUUCEWRRSA-N 0 1 380.456 1.657 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576199186 950419559 /nfs/dbraw/zinc/41/95/59/950419559.db2.gz XCEDOSBNXWVZMB-ZIAGYGMSSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576199186 950419574 /nfs/dbraw/zinc/41/95/74/950419574.db2.gz XCEDOSBNXWVZMB-ZIAGYGMSSA-N 0 1 387.463 1.385 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574503973 950422115 /nfs/dbraw/zinc/42/21/15/950422115.db2.gz ZBCYGGKSLBANNL-UONOGXRCSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)CCOC1 ZINC001575600121 950437210 /nfs/dbraw/zinc/43/72/10/950437210.db2.gz RRTOKCMKFYNSTE-CLAHSXSESA-N 0 1 383.865 1.098 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CC[C@H](Nc3ccncc3-c3nn[nH]n3)CC2)CCCOC1 ZINC001575605507 950468028 /nfs/dbraw/zinc/46/80/28/950468028.db2.gz JNBHPSLXRVYATL-NJSLBKSFSA-N 0 1 385.472 1.340 20 0 GDADMN CC1CCN(CC(=O)NCC2(Nc3ncccc3-c3nn[nH]n3)CCC2)CC1 ZINC001576205011 950488365 /nfs/dbraw/zinc/48/83/65/950488365.db2.gz FOSLQGZUGXCXSX-UHFFFAOYSA-N 0 1 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CC1(C)C(C)(C)C1(C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575616903 950591267 /nfs/dbraw/zinc/59/12/67/950591267.db2.gz TXLLHPDXCYRKBH-GFCCVEGCSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C)C(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001575617265 950600234 /nfs/dbraw/zinc/60/02/34/950600234.db2.gz ZFYSPYBYSSBOCG-GFCCVEGCSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc2ccccc2o1 ZINC001575919076 950606203 /nfs/dbraw/zinc/60/62/03/950606203.db2.gz FWQHYRZBEPEOHJ-YPMHNXCESA-N 0 1 390.407 1.540 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCC1CCCCC1 ZINC001575919393 950613313 /nfs/dbraw/zinc/61/33/13/950613313.db2.gz HPZXYWTXJCNKHG-DZGCQCFKSA-N 0 1 384.488 1.840 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573871326 950614672 /nfs/dbraw/zinc/61/46/72/950614672.db2.gz NYBLFIBGZUCARC-CYBMUJFWSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 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ATWQHOAENBWRQE-GXTWGEPZSA-N 0 1 382.472 1.520 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC001575925841 950692341 /nfs/dbraw/zinc/69/23/41/950692341.db2.gz VGIGYJVRWXVYMK-FZMZJTMJSA-N 0 1 389.423 1.275 20 0 GDADMN CC1(C)CC(C(=O)N2CCC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575625860 950701024 /nfs/dbraw/zinc/70/10/24/950701024.db2.gz YUVAURBHSWNXRE-CYBMUJFWSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccccc1Cl ZINC001575926275 950704863 /nfs/dbraw/zinc/70/48/63/950704863.db2.gz XFBQPKZJVHUXTN-GXFFZTMASA-N 0 1 384.831 1.447 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc(Cl)c1 ZINC001575926272 950706774 /nfs/dbraw/zinc/70/67/74/950706774.db2.gz XELPCHRPFKTIRJ-MFKMUULPSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC001575926386 950709460 /nfs/dbraw/zinc/70/94/60/950709460.db2.gz JQNWEDOMAKRPJN-SUMWQHHRSA-N 0 1 392.467 1.465 20 0 GDADMN 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C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927488 950742207 /nfs/dbraw/zinc/74/22/07/950742207.db2.gz PTLIRXNFBPPMMJ-WCBMZHEXSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576217059 950756141 /nfs/dbraw/zinc/75/61/41/950756141.db2.gz GOANQCAKSNUUMJ-CMPLNLGQSA-N 0 1 377.399 1.378 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576218791 950794842 /nfs/dbraw/zinc/79/48/42/950794842.db2.gz RPABEUZJPWQUKY-VHSXEESVSA-N 0 1 380.403 1.019 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575632501 950798803 /nfs/dbraw/zinc/79/88/03/950798803.db2.gz KBTYOMVYIIBMAW-LBPRGKRZSA-N 0 1 378.502 1.321 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575632501 950798820 /nfs/dbraw/zinc/79/88/20/950798820.db2.gz KBTYOMVYIIBMAW-LBPRGKRZSA-N 0 1 378.502 1.321 20 0 GDADMN CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)C1 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/nfs/dbraw/zinc/84/11/91/950841191.db2.gz OUUUAGLMRNYZBE-RXMQYKEDSA-N 0 1 385.816 1.411 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)Cc1cc(F)cc(F)c1 ZINC001575011107 950842461 /nfs/dbraw/zinc/84/24/61/950842461.db2.gz MUGJFHWLVVLQRH-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576221340 950853308 /nfs/dbraw/zinc/85/33/08/950853308.db2.gz ZXWWEFXPXJADJS-MFKMUULPSA-N 0 1 379.415 1.624 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576222361 950869742 /nfs/dbraw/zinc/86/97/42/950869742.db2.gz YHKARSMXAIALKT-ZJUUUORDSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576227292 950906855 /nfs/dbraw/zinc/90/68/55/950906855.db2.gz FOCXUHMAKAMYSM-CHWSQXEVSA-N 0 1 382.472 1.165 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574527948 950915127 /nfs/dbraw/zinc/91/51/27/950915127.db2.gz 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CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575644732 950994836 /nfs/dbraw/zinc/99/48/36/950994836.db2.gz WQBIMWWXRQFYOR-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575644732 950994854 /nfs/dbraw/zinc/99/48/54/950994854.db2.gz WQBIMWWXRQFYOR-GXTWGEPZSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573900363 951005689 /nfs/dbraw/zinc/00/56/89/951005689.db2.gz YGJPYSSJHRCTPG-UHFFFAOYSA-N 0 1 383.378 1.723 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575021631 951065212 /nfs/dbraw/zinc/06/52/12/951065212.db2.gz DXPMYSHKQYPWIS-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575023766 951083615 /nfs/dbraw/zinc/08/36/15/951083615.db2.gz PHWSJIHRZJVGGO-QMMMGPOBSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024151 951093237 /nfs/dbraw/zinc/09/32/37/951093237.db2.gz WJBUQVSJIFFDEL-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575024390 951101894 /nfs/dbraw/zinc/10/18/94/951101894.db2.gz CRXDMZQXFDVVLN-LBPRGKRZSA-N 0 1 379.424 1.451 20 0 GDADMN C[C@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)[C@H]1C(=O)[O-] ZINC000333617205 951130426 /nfs/dbraw/zinc/13/04/26/951130426.db2.gz SXBOAVFALMLMCB-QFBILLFUSA-N 0 1 393.528 1.813 20 0 GDADMN C[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)[C@H]1C(=O)[O-] ZINC000333617205 951130433 /nfs/dbraw/zinc/13/04/33/951130433.db2.gz SXBOAVFALMLMCB-QFBILLFUSA-N 0 1 393.528 1.813 20 0 GDADMN C[C@H](CNC(=O)c1cccc(=O)[nH]1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575026216 951140321 /nfs/dbraw/zinc/14/03/21/951140321.db2.gz GTRCATPOAXGCMP-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575028254 951172559 /nfs/dbraw/zinc/17/25/59/951172559.db2.gz NBHGRBMRNRKQNE-GFCCVEGCSA-N 0 1 378.440 1.045 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001575029739 951188880 /nfs/dbraw/zinc/18/88/80/951188880.db2.gz XCUVYVLJGURMKN-VXGBXAGGSA-N 0 1 379.424 1.237 20 0 GDADMN CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575031572 951196673 /nfs/dbraw/zinc/19/66/73/951196673.db2.gz DMEATDRMWMLLTE-GFCCVEGCSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@H](CNC(=O)c1cccnc1C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575031921 951209921 /nfs/dbraw/zinc/20/99/21/951209921.db2.gz MCKPZVVELFFSOE-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN O=C([O-])[C@H]1C[N@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc21 ZINC000386036820 951289715 /nfs/dbraw/zinc/28/97/15/951289715.db2.gz CWLDLERPUVNVMO-KDOFPFPSSA-N 0 1 380.400 1.328 20 0 GDADMN C[C@@H](CNC(=O)c1ccsc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575037865 951310376 /nfs/dbraw/zinc/31/03/76/951310376.db2.gz DGDHWCDYFOBKLE-ZETCQYMHSA-N 0 1 380.384 1.308 20 0 GDADMN C[C@H](CNC(=O)c1cnn(CCF)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054602 951493669 /nfs/dbraw/zinc/49/36/69/951493669.db2.gz JBPWRGZPLCSWGT-LLVKDONJSA-N 0 1 392.464 1.345 20 0 GDADMN C[C@H](CNC(=O)c1cnn(CCF)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575054602 951493675 /nfs/dbraw/zinc/49/36/75/951493675.db2.gz JBPWRGZPLCSWGT-LLVKDONJSA-N 0 1 392.464 1.345 20 0 GDADMN C[C@@H](CNC(=O)c1csc(Cl)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575057473 951529206 /nfs/dbraw/zinc/52/92/06/951529206.db2.gz PPCFARAJMUUNDY-MRVPVSSYSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575059333 951540999 /nfs/dbraw/zinc/54/09/99/951540999.db2.gz ZOAZRHAVEYSJDE-JTQLQIEISA-N 0 1 386.485 1.668 20 0 GDADMN C[C@H](CNC(=O)c1csc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575060954 951552129 /nfs/dbraw/zinc/55/21/29/951552129.db2.gz KIKMXWGEALAJNA-SNVBAGLBSA-N 0 1 384.469 1.249 20 0 GDADMN C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1ccncc1-c1nn[nH]n1 ZINC001575061938 951564500 /nfs/dbraw/zinc/56/45/00/951564500.db2.gz RKDLJWULEVZNSR-MRVPVSSYSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1[O-])[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575067866 951626346 /nfs/dbraw/zinc/62/63/46/951626346.db2.gz PZFUSUNXXPVLGT-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1[O-])[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575067866 951626355 /nfs/dbraw/zinc/62/63/55/951626355.db2.gz PZFUSUNXXPVLGT-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575088695 951741747 /nfs/dbraw/zinc/74/17/47/951741747.db2.gz AVTHGVXUJMEJOM-GOSISDBHSA-N 0 1 388.497 1.997 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575088695 951741757 /nfs/dbraw/zinc/74/17/57/951741757.db2.gz AVTHGVXUJMEJOM-GOSISDBHSA-N 0 1 388.497 1.997 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ncccc1[O-] ZINC001575089568 951750564 /nfs/dbraw/zinc/75/05/64/951750564.db2.gz GRWHTEHSMVVRIT-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H](CNC(=O)c1cnn2cc[nH]c12)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099249 951830574 /nfs/dbraw/zinc/83/05/74/951830574.db2.gz JGXIHIGKDRGTDN-SNVBAGLBSA-N 0 1 385.457 1.060 20 0 GDADMN C[C@@H](CNC(=O)c1cnn2cc[nH]c12)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099249 951830583 /nfs/dbraw/zinc/83/05/83/951830583.db2.gz JGXIHIGKDRGTDN-SNVBAGLBSA-N 0 1 385.457 1.060 20 0 GDADMN C[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccnc1 ZINC001575100797 951847155 /nfs/dbraw/zinc/84/71/55/951847155.db2.gz VGZFBRNMSCUKJK-CHWSQXEVSA-N 0 1 385.497 1.969 20 0 GDADMN C[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cccnc1 ZINC001575100797 951847166 /nfs/dbraw/zinc/84/71/66/951847166.db2.gz VGZFBRNMSCUKJK-CHWSQXEVSA-N 0 1 385.497 1.969 20 0 GDADMN C[C@@H](CNC(=O)c1ncccc1[O-])C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102357 951869028 /nfs/dbraw/zinc/86/90/28/951869028.db2.gz LOXOWVNGEROKRU-LLVKDONJSA-N 0 1 385.403 1.262 20 0 GDADMN C[C@H](CNS(=O)(=O)c1ccsc1-c1nn[nH]n1)Oc1ccc(F)cc1 ZINC001575116761 951974159 /nfs/dbraw/zinc/97/41/59/951974159.db2.gz HXELORVHQGNRGI-SECBINFHSA-N 0 1 383.430 1.813 20 0 GDADMN O=C([O-])Cc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC001595131751 952035093 /nfs/dbraw/zinc/03/50/93/952035093.db2.gz IXNUSQDTTKEYJO-UHFFFAOYSA-N 0 1 377.441 1.317 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575127597 952059833 /nfs/dbraw/zinc/05/98/33/952059833.db2.gz YUQSDTQWIRPDEV-RHSMWYFYSA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575127597 952059841 /nfs/dbraw/zinc/05/98/41/952059841.db2.gz YUQSDTQWIRPDEV-RHSMWYFYSA-N 0 1 386.504 1.783 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1ccsc1 ZINC001575142821 952149393 /nfs/dbraw/zinc/14/93/93/952149393.db2.gz MHDOHQBJHCULTK-GFCCVEGCSA-N 0 1 386.485 1.422 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001575144378 952165918 /nfs/dbraw/zinc/16/59/18/952165918.db2.gz VBZZQPCVBTUTQV-GUYCJALGSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(F)ccc1Cl ZINC001575144828 952172778 /nfs/dbraw/zinc/17/27/78/952172778.db2.gz MLPGOIKGVUIHFO-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575145210 952180754 /nfs/dbraw/zinc/18/07/54/952180754.db2.gz SOLYYLQVDXMSLQ-TZMCWYRMSA-N 0 1 378.440 1.067 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC1 ZINC001575145485 952184118 /nfs/dbraw/zinc/18/41/18/952184118.db2.gz YJFSWDULVLQFGU-LYDQXWKUSA-N 0 1 393.495 1.983 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575145451 952184126 /nfs/dbraw/zinc/18/41/26/952184126.db2.gz XWMFTXIWAKEQFA-BFUOFWGJSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccn(C)n1 ZINC001575166527 952326630 /nfs/dbraw/zinc/32/66/30/952326630.db2.gz XFWSTBCCUXMDGW-SSDOTTSWSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575190500 952462452 /nfs/dbraw/zinc/46/24/52/952462452.db2.gz SZEQPRMXXLAZIV-KBPBESRZSA-N 0 1 381.440 1.416 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1ccncc1-c1nn[nH]n1 ZINC001575196240 952474991 /nfs/dbraw/zinc/47/49/91/952474991.db2.gz GDEJTLAKNOVXOA-SUMWQHHRSA-N 0 1 383.456 1.708 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575196872 952478663 /nfs/dbraw/zinc/47/86/63/952478663.db2.gz KJVCEGWOWYRJAR-HSBZDZAISA-N 0 1 381.440 1.462 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575200395 952495394 /nfs/dbraw/zinc/49/53/94/952495394.db2.gz JACKSTJFHBXTKI-SWLSCSKDSA-N 0 1 383.460 1.416 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575200428 952495575 /nfs/dbraw/zinc/49/55/75/952495575.db2.gz JKHLOZBLTLATCW-BLLLJJGKSA-N 0 1 383.460 1.416 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2ccc(-c3nn[nH]n3)cn2)CCC1 ZINC001575200737 952497453 /nfs/dbraw/zinc/49/74/53/952497453.db2.gz LFBBERRLZOAJNL-LBPRGKRZSA-N 0 1 381.444 1.314 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC001575202295 952512280 /nfs/dbraw/zinc/51/22/80/952512280.db2.gz VEGMQYZRHXYKAQ-LBPRGKRZSA-N 0 1 391.439 1.485 20 0 GDADMN O=C(N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1(c2ccccc2)CC1 ZINC001571121289 952517454 /nfs/dbraw/zinc/51/74/54/952517454.db2.gz XROQZTKSBRAOON-UHFFFAOYSA-N 0 1 376.424 1.037 20 0 GDADMN O=C(NC[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCC(F)(F)C1 ZINC001571121295 952518697 /nfs/dbraw/zinc/51/86/97/952518697.db2.gz XUHAQLGUMZATGU-TZMCWYRMSA-N 0 1 376.411 1.993 20 0 GDADMN O=C(c1ccnc(C2CC2)c1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571122798 952526838 /nfs/dbraw/zinc/52/68/38/952526838.db2.gz LJRQQWHODWFGSO-AWEZNQCLSA-N 0 1 376.424 1.283 20 0 GDADMN C[C@H]1CN(C(=O)c2cnsn2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123072 952528106 /nfs/dbraw/zinc/52/81/06/952528106.db2.gz NPXLIHKVESNWML-GZMMTYOYSA-N 0 1 376.471 1.030 20 0 GDADMN C[C@H]1CN(C(=O)c2cnsn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571123072 952528112 /nfs/dbraw/zinc/52/81/12/952528112.db2.gz NPXLIHKVESNWML-GZMMTYOYSA-N 0 1 376.471 1.030 20 0 GDADMN Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3CCC3(F)F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124433 952538918 /nfs/dbraw/zinc/53/89/18/952538918.db2.gz IVKNZHXBTFYNKF-YPMHNXCESA-N 0 1 377.399 1.440 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124601 952541299 /nfs/dbraw/zinc/54/12/99/952541299.db2.gz OQMSYFVKBVOSAS-OTYXRUKQSA-N 0 1 377.399 1.296 20 0 GDADMN Cc1cc(N2CC[C@](C)(NC(=O)C3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124669 952542264 /nfs/dbraw/zinc/54/22/64/952542264.db2.gz QVNZYBVXWOMFNL-INIZCTEOSA-N 0 1 377.399 1.700 20 0 GDADMN O=C(N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)C1(C(F)F)CC1 ZINC001571124850 952545435 /nfs/dbraw/zinc/54/54/35/952545435.db2.gz WLVWXPLLQRFZMC-LLVKDONJSA-N 0 1 377.399 1.522 20 0 GDADMN O=C(C1C=CC=CC=C1)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571127542 952557095 /nfs/dbraw/zinc/55/70/95/952557095.db2.gz HHKPPLIKLPMTOM-HNNXBMFYSA-N 0 1 377.452 1.633 20 0 GDADMN CCc1cccc(CC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571127755 952560013 /nfs/dbraw/zinc/56/00/13/952560013.db2.gz MQEIMFYTMFXFTP-INIZCTEOSA-N 0 1 377.452 1.502 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001571129337 952574184 /nfs/dbraw/zinc/57/41/84/952574184.db2.gz CNDVFNBGPKZZPG-GHMZBOCLSA-N 0 1 378.387 1.129 20 0 GDADMN CN(C[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)C(=O)c1ccc(=O)[nH]c1 ZINC001571140369 952624363 /nfs/dbraw/zinc/62/43/63/952624363.db2.gz BWHACDGIKROKCW-OAHLLOKOSA-N 0 1 379.424 1.314 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001571155553 952698905 /nfs/dbraw/zinc/69/89/05/952698905.db2.gz WLQKQAYVZCQTDM-MNOVXSKESA-N 0 1 380.403 1.375 20 0 GDADMN Cc1cc(N2CCC(NC(=O)c3ccnc(C)n3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156793 952704859 /nfs/dbraw/zinc/70/48/59/952704859.db2.gz JPNZWRBTPYKSGM-UHFFFAOYSA-N 0 1 379.428 1.067 20 0 GDADMN Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571158900 952714966 /nfs/dbraw/zinc/71/49/66/952714966.db2.gz TZWBMSHAFOTVOT-ZDUSSCGKSA-N 0 1 379.428 1.007 20 0 GDADMN Cc1ccc(N2C[C@@H](C(=O)Nc3c[nH]nc3-c3nn[nH]n3)CCC2=O)cc1C ZINC001571159311 952718959 /nfs/dbraw/zinc/71/89/59/952718959.db2.gz UGEHBYJVLAKBQW-LBPRGKRZSA-N 0 1 380.412 1.588 20 0 GDADMN O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001571167002 952769042 /nfs/dbraw/zinc/76/90/42/952769042.db2.gz SCOMUKLXRAXCKW-SFHVURJKSA-N 0 1 380.427 1.591 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571167083 952770625 /nfs/dbraw/zinc/77/06/25/952770625.db2.gz VDGMCHPMYVLPOF-DYVFJYSZSA-N 0 1 380.456 1.375 20 0 GDADMN Cc1c[nH]nc1C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)[C@H]1C ZINC001571169930 952780534 /nfs/dbraw/zinc/78/05/34/952780534.db2.gz QZSWHHRSJCXRLB-BBRMVZONSA-N 0 1 380.456 1.681 20 0 GDADMN C[C@]12CN(C(=O)[C@H]3CC34CCC4)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571170888 952789939 /nfs/dbraw/zinc/78/99/39/952789939.db2.gz YQNVYPWEMIHLGS-VFVRVIDISA-N 0 1 380.456 1.132 20 0 GDADMN CCOC(=O)c1[nH]nc(NC(=O)C2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1C ZINC001571171815 952798419 /nfs/dbraw/zinc/79/84/19/952798419.db2.gz XGKFNUOTJNRVMH-UHFFFAOYSA-N 0 1 381.396 1.745 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001571180506 952860754 /nfs/dbraw/zinc/86/07/54/952860754.db2.gz QKFBGUFTVNEAKU-ZDUSSCGKSA-N 0 1 381.444 1.147 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)c1ccncc1F ZINC001571183019 952871491 /nfs/dbraw/zinc/87/14/91/952871491.db2.gz LZVHEBDWDDTGSW-CQSZACIVSA-N 0 1 381.415 1.795 20 0 GDADMN C[C@@H](NC(=O)c1ccn(C)c1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184241 952890640 /nfs/dbraw/zinc/89/06/40/952890640.db2.gz UOTCFBUAQLEIEN-OLZOCXBDSA-N 0 1 381.444 1.030 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571185271 952900949 /nfs/dbraw/zinc/90/09/49/952900949.db2.gz KGGLCPYVJHKSMO-WCQYABFASA-N 0 1 381.444 1.328 20 0 GDADMN Cc1c(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)ccn1C(C)C ZINC001571185497 952901928 /nfs/dbraw/zinc/90/19/28/952901928.db2.gz MKQBOBOJTXJSJC-UHFFFAOYSA-N 0 1 381.444 1.310 20 0 GDADMN Cc1c(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccn1C(C)C ZINC001571185448 952902239 /nfs/dbraw/zinc/90/22/39/952902239.db2.gz LQAPXNSZQXJLKQ-BETUJISGSA-N 0 1 381.444 1.142 20 0 GDADMN Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001571185600 952902961 /nfs/dbraw/zinc/90/29/61/952902961.db2.gz NULDBQQUZPRYRP-GXTWGEPZSA-N 0 1 381.444 1.116 20 0 GDADMN Cc1n[nH]cc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001571187941 952909916 /nfs/dbraw/zinc/90/99/16/952909916.db2.gz DDOZGDAPUIQWES-AAEUAGOBSA-N 0 1 381.444 1.129 20 0 GDADMN Cc1nn[nH]c1C(=O)NC[C@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571189313 952927978 /nfs/dbraw/zinc/92/79/78/952927978.db2.gz USMNLTOYIOGYIC-OAHLLOKOSA-N 0 1 381.444 1.078 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]2C)n1C ZINC001571189564 952930501 /nfs/dbraw/zinc/93/05/01/952930501.db2.gz XLWOBSLLVWCWEY-STQMWFEESA-N 0 1 381.444 1.091 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571189656 952931843 /nfs/dbraw/zinc/93/18/43/952931843.db2.gz ZPXYCZGGXALNAP-WCQYABFASA-N 0 1 381.444 1.389 20 0 GDADMN Cc1nc(N[C@H]2CCCCCN(C(=O)c3ccn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189874 952936264 /nfs/dbraw/zinc/93/62/64/952936264.db2.gz YGGZYSTUELMFRR-ZDUSSCGKSA-N 0 1 381.444 1.790 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc1F ZINC001571195752 952979333 /nfs/dbraw/zinc/97/93/33/952979333.db2.gz FRPFESBBGJZKFN-CYBMUJFWSA-N 0 1 382.403 1.455 20 0 GDADMN Cc1cc(F)ccc1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571196395 952981835 /nfs/dbraw/zinc/98/18/35/952981835.db2.gz KFEUAQMCTNZFDE-UHFFFAOYSA-N 0 1 382.403 1.457 20 0 GDADMN Cc1ccc(F)cc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571197289 952988677 /nfs/dbraw/zinc/98/86/77/952988677.db2.gz VMEGHSVEZKQKBD-CYBMUJFWSA-N 0 1 382.403 1.243 20 0 GDADMN Cc1cccc(F)c1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571197407 952989708 /nfs/dbraw/zinc/98/97/08/952989708.db2.gz ZJJRUMFPLFEROW-GFCCVEGCSA-N 0 1 382.403 1.361 20 0 GDADMN CN(Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001571197443 952990674 /nfs/dbraw/zinc/99/06/74/952990674.db2.gz ZYKYGDOVMJYOLN-ZDUSSCGKSA-N 0 1 382.403 1.142 20 0 GDADMN CN(C[C@H]1CCN(C(=O)CCc2ccco2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571199176 952996738 /nfs/dbraw/zinc/99/67/38/952996738.db2.gz MTQHVQLEPDJIFM-CYBMUJFWSA-N 0 1 382.428 1.167 20 0 GDADMN CN(C)C(=O)[C@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)C1 ZINC001571199131 952997039 /nfs/dbraw/zinc/99/70/39/952997039.db2.gz MIMBZRKMSGUPFT-AWEZNQCLSA-N 0 1 382.428 1.217 20 0 GDADMN Cc1conc1C(=O)N1CCCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001571200086 953006701 /nfs/dbraw/zinc/00/67/01/953006701.db2.gz APGWNYGUVJPSQM-ZDUSSCGKSA-N 0 1 382.428 1.689 20 0 GDADMN Cc1nocc1C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571201078 953013657 /nfs/dbraw/zinc/01/36/57/953013657.db2.gz JHGIQPYHYFDSSD-ZWNOBZJWSA-N 0 1 382.428 1.109 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(CF)cc1 ZINC001571201590 953018468 /nfs/dbraw/zinc/01/84/68/953018468.db2.gz RZMQJSCXJNMPHH-MQMHXKEQSA-N 0 1 382.403 1.169 20 0 GDADMN Cc1cc(C(=O)N2CCCC[C@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)no1 ZINC001571201977 953021787 /nfs/dbraw/zinc/02/17/87/953021787.db2.gz PRBKEOPLOGAYQV-ZDUSSCGKSA-N 0 1 382.428 1.395 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)co1 ZINC001571202324 953024699 /nfs/dbraw/zinc/02/46/99/953024699.db2.gz TUSBGTPPDCBQOJ-DGCLKSJQSA-N 0 1 382.428 1.190 20 0 GDADMN Cc1noc(C)c1C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571204604 953030865 /nfs/dbraw/zinc/03/08/65/953030865.db2.gz AKWRMAMZJIKLEP-ZDUSSCGKSA-N 0 1 382.428 1.253 20 0 GDADMN O=C(c1cc2c(s1)CCC2)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571210192 953070549 /nfs/dbraw/zinc/07/05/49/953070549.db2.gz NRZFCYJDMCYRGF-UHFFFAOYSA-N 0 1 382.453 1.169 20 0 GDADMN C[C@@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211523 953077392 /nfs/dbraw/zinc/07/73/92/953077392.db2.gz AMGYPOPIIPKAOH-CHWSQXEVSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212237 953085692 /nfs/dbraw/zinc/08/56/92/953085692.db2.gz JWAVWNKKUYCLMJ-GXTWGEPZSA-N 0 1 382.472 1.308 20 0 GDADMN CC[C@@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571213679 953096307 /nfs/dbraw/zinc/09/63/07/953096307.db2.gz TXDIXKFVRDACKZ-TZMCWYRMSA-N 0 1 382.472 1.308 20 0 GDADMN O=C([C@@H]1CCCC2(CC2)C1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571219097 953122575 /nfs/dbraw/zinc/12/25/75/953122575.db2.gz VCOLNBRUSHIZMP-KGLIPLIRSA-N 0 1 382.472 1.452 20 0 GDADMN CC1(C)CN(C(=O)c2ccc[nH]2)C[C@H]1NCc1ccc(-c2nn[nH]n2)cc1F ZINC001571230516 953177460 /nfs/dbraw/zinc/17/74/60/953177460.db2.gz XGKQODRGAOAZHD-MRXNPFEDSA-N 0 1 383.431 1.974 20 0 GDADMN Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@]34CCOC4)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232882 953189285 /nfs/dbraw/zinc/18/92/85/953189285.db2.gz LQDCGHCPBQIMHO-KXBFYZLASA-N 0 1 383.456 1.082 20 0 GDADMN COc1ccc(C(=O)NC2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)o1 ZINC001571238016 953225010 /nfs/dbraw/zinc/22/50/10/953225010.db2.gz RDYOKZXBTZGQEN-UHFFFAOYSA-N 0 1 384.400 1.047 20 0 GDADMN Cn1cc(C(=O)N[C@@]2(C)CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)cn1 ZINC001571241866 953250534 /nfs/dbraw/zinc/25/05/34/953250534.db2.gz NZWGDILNJXVVKW-SFHVURJKSA-N 0 1 384.419 1.134 20 0 GDADMN Cc1nc(C(=O)N(C)[C@H]2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)c[nH]1 ZINC001571241846 953250622 /nfs/dbraw/zinc/25/06/22/953250622.db2.gz NCGMPTHEPJBFIY-AWEZNQCLSA-N 0 1 384.419 1.384 20 0 GDADMN C[C@H]1CC[C@@H](NC(=O)c2csnn2)CN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571245320 953272333 /nfs/dbraw/zinc/27/23/33/953272333.db2.gz GGQKEXAAUNVRGL-SMDDNHRTSA-N 0 1 384.469 1.501 20 0 GDADMN Cc1nscc1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571245276 953272342 /nfs/dbraw/zinc/27/23/42/953272342.db2.gz RHVNCGJGFKEWKB-LBPRGKRZSA-N 0 1 384.469 1.331 20 0 GDADMN CCN(C(=O)c1ccsn1)[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571245621 953275404 /nfs/dbraw/zinc/27/54/04/953275404.db2.gz XCFPHFOMFKIORX-LBPRGKRZSA-N 0 1 384.469 1.768 20 0 GDADMN Cc1ccnc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571245831 953277631 /nfs/dbraw/zinc/27/76/31/953277631.db2.gz ZRERPRSWUFJUSX-LBPRGKRZSA-N 0 1 384.469 1.279 20 0 GDADMN Cc1ccnc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571245831 953277633 /nfs/dbraw/zinc/27/76/33/953277633.db2.gz ZRERPRSWUFJUSX-LBPRGKRZSA-N 0 1 384.469 1.279 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2[C@H]3CN(Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571245987 953279531 /nfs/dbraw/zinc/27/95/31/953279531.db2.gz PZLRBVBYXXEEPK-FVQHAEBGSA-N 0 1 384.459 1.988 20 0 GDADMN O=C(NC[C@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1)c1cnsn1 ZINC001571248728 953297329 /nfs/dbraw/zinc/29/73/29/953297329.db2.gz YJBLSYRDBVLQKF-CQSZACIVSA-N 0 1 384.469 1.503 20 0 GDADMN C[C@H]1CC[C@H](CC(=O)N(C)C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571248998 953299675 /nfs/dbraw/zinc/29/96/75/953299675.db2.gz AOSFSPISGKGHHZ-KBPBESRZSA-N 0 1 384.488 1.910 20 0 GDADMN CC1(C)CC(CC(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571249683 953307367 /nfs/dbraw/zinc/30/73/67/953307367.db2.gz KJBXZVDQTKAWMC-TZMCWYRMSA-N 0 1 384.488 1.602 20 0 GDADMN Cc1cc(CNC[C@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571250341 953310426 /nfs/dbraw/zinc/31/04/26/953310426.db2.gz QUKXZSLMSNHFHC-ZBEGNZNMSA-N 0 1 384.444 1.522 20 0 GDADMN Cc1cnc([C@H](C)NC[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571251202 953315782 /nfs/dbraw/zinc/31/57/82/953315782.db2.gz 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COC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1F ZINC000821669391 606787700 /nfs/dbraw/zinc/78/77/00/606787700.db2.gz JPWVBAMGJSDBOH-UHFFFAOYSA-N 0 1 391.384 1.902 20 0 GDADMN CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821571809 606806226 /nfs/dbraw/zinc/80/62/26/606806226.db2.gz GJKYJDIPZNEAPA-AWEZNQCLSA-N 0 1 381.444 1.338 20 0 GDADMN CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821571809 606806228 /nfs/dbraw/zinc/80/62/28/606806228.db2.gz GJKYJDIPZNEAPA-AWEZNQCLSA-N 0 1 381.444 1.338 20 0 GDADMN CC1CCN(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)CC1 ZINC000820721855 606807254 /nfs/dbraw/zinc/80/72/54/606807254.db2.gz CECZRVTXOCLRHV-UHFFFAOYSA-N 0 1 399.499 1.498 20 0 GDADMN COC(=O)[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C(C)(C)C ZINC000736939196 606833698 /nfs/dbraw/zinc/83/36/98/606833698.db2.gz HKWMYRAKCDVKRM-SECBINFHSA-N 0 1 380.430 1.007 20 0 GDADMN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822522750 606892822 /nfs/dbraw/zinc/89/28/22/606892822.db2.gz LZLVOUCFKGFZOF-ZETCQYMHSA-N 0 1 398.395 1.659 20 0 GDADMN COC(C)(C)C[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821672440 606894326 /nfs/dbraw/zinc/89/43/26/606894326.db2.gz KPTWPVSUWGKDNE-QMMMGPOBSA-N 0 1 375.401 1.627 20 0 GDADMN CC(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820046858 606894761 /nfs/dbraw/zinc/89/47/61/606894761.db2.gz VDDKBYRYGYCLFJ-TVQRCGJNSA-N 0 1 387.412 1.484 20 0 GDADMN CCn1ccnc1CN1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821566858 606895522 /nfs/dbraw/zinc/89/55/22/606895522.db2.gz XNIWDXSYFUBUKR-UHFFFAOYSA-N 0 1 396.499 1.670 20 0 GDADMN Cc1cnc([C@@H](C)NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)s1 ZINC000822388799 606896399 /nfs/dbraw/zinc/89/63/99/606896399.db2.gz BFUIJAOMDJHGTE-SSDOTTSWSA-N 0 1 386.409 1.949 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000822535159 606904449 /nfs/dbraw/zinc/90/44/49/606904449.db2.gz IILUBUJZUQAJPN-BXUZGUMPSA-N 0 1 381.440 1.771 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000822535159 606904451 /nfs/dbraw/zinc/90/44/51/606904451.db2.gz IILUBUJZUQAJPN-BXUZGUMPSA-N 0 1 381.440 1.771 20 0 GDADMN COc1c(Br)cccc1CN1CCN(C(=O)N2CCNCC2)CC1 ZINC000530242100 649968769 /nfs/dbraw/zinc/96/87/69/649968769.db2.gz KGBYXPYFLXMYMY-UHFFFAOYSA-N 0 1 397.317 1.601 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)CCC(=O)OC(C)(C)C)cc1-c1nn[nH]n1 ZINC000821969693 607020584 /nfs/dbraw/zinc/02/05/84/607020584.db2.gz DIJSHMCDWHDZPB-UHFFFAOYSA-N 0 1 394.457 1.493 20 0 GDADMN Cc1nc([C@@H]2CN(C(=O)C(C)(C)Oc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000822414577 607050653 /nfs/dbraw/zinc/05/06/53/607050653.db2.gz LEUXCVZFDDKDPC-AWEZNQCLSA-N 0 1 398.427 1.051 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2nn[n-]n2)c1C ZINC000822540818 607104839 /nfs/dbraw/zinc/10/48/39/607104839.db2.gz HEHHBRYYWOEQFW-QEJZJMRPSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2nn[n-]n2)c1C ZINC000822540818 607104841 /nfs/dbraw/zinc/10/48/41/607104841.db2.gz HEHHBRYYWOEQFW-QEJZJMRPSA-N 0 1 387.488 1.820 20 0 GDADMN O=C(c1cc[nH]c(=O)c1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823472753 607146253 /nfs/dbraw/zinc/14/62/53/607146253.db2.gz XNGITYCCJHKBHB-UHFFFAOYSA-N 0 1 379.424 1.315 20 0 GDADMN O=S(=O)(N[C@@H]1CCOC2(CCC2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572839 607146519 /nfs/dbraw/zinc/14/65/19/607146519.db2.gz NRMMXWKCDGWMFH-SNVBAGLBSA-N 0 1 385.396 1.525 20 0 GDADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000820001408 607146597 /nfs/dbraw/zinc/14/65/97/607146597.db2.gz LFILDIQCTRUBGW-UHFFFAOYSA-N 0 1 391.395 1.843 20 0 GDADMN CC(C)[C@H](C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)[NH+](C)C ZINC000735693224 607154886 /nfs/dbraw/zinc/15/48/86/607154886.db2.gz XZUKINCDXFRPLD-MRXNPFEDSA-N 0 1 375.452 1.241 20 0 GDADMN Cc1nc([C@H]2CN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3Cl)CCO2)n[nH]1 ZINC000822414616 607203598 /nfs/dbraw/zinc/20/35/98/607203598.db2.gz NLRREVLBUDXJMN-GFCCVEGCSA-N 0 1 389.807 1.552 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1cccs1)Cc1cccs1 ZINC000823123062 607207886 /nfs/dbraw/zinc/20/78/86/607207886.db2.gz MGQIRYORFSIZHN-UHFFFAOYSA-N 0 1 386.466 1.810 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000823125691 607209326 /nfs/dbraw/zinc/20/93/26/607209326.db2.gz BAJCUUHNEMLZFI-UHFFFAOYSA-N 0 1 394.317 1.336 20 0 GDADMN CCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821418110 607210056 /nfs/dbraw/zinc/21/00/56/607210056.db2.gz WFYGEOBQGISFJS-UHFFFAOYSA-N 0 1 382.306 1.514 20 0 GDADMN CCOc1ccc(Br)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821417608 607213653 /nfs/dbraw/zinc/21/36/53/607213653.db2.gz PPYNQSJCXXRIQB-UHFFFAOYSA-N 0 1 393.205 1.258 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000823126979 607213955 /nfs/dbraw/zinc/21/39/55/607213955.db2.gz PQZCVMOHSFFJIF-UHFFFAOYSA-N 0 1 378.318 1.283 20 0 GDADMN CC(C)(c1nnc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)s1)c1ccccc1 ZINC000820005951 607214983 /nfs/dbraw/zinc/21/49/83/607214983.db2.gz ZPVNLWXZFUIKPF-UHFFFAOYSA-N 0 1 396.440 1.274 20 0 GDADMN Cc1cccc(COc2cccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)c1 ZINC000822304188 607215924 /nfs/dbraw/zinc/21/59/24/607215924.db2.gz RXHDUYWARAJKRQ-UHFFFAOYSA-N 0 1 390.407 1.984 20 0 GDADMN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819899248 607216608 /nfs/dbraw/zinc/21/66/08/607216608.db2.gz QJBCHNLRKIURHE-CYBMUJFWSA-N 0 1 388.407 1.207 20 0 GDADMN COc1ccc(N(Cc2ccco2)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1F ZINC000821828595 607219131 /nfs/dbraw/zinc/21/91/31/607219131.db2.gz ZLFDVOHLKOPISE-UHFFFAOYSA-N 0 1 398.358 1.432 20 0 GDADMN CCc1noc(-c2ccc(C)c(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)n1 ZINC000821554533 607221628 /nfs/dbraw/zinc/22/16/28/607221628.db2.gz OBZUATVZIDKJOD-UHFFFAOYSA-N 0 1 380.372 1.018 20 0 GDADMN CCOCCC1(CNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CC1 ZINC000825590486 607780846 /nfs/dbraw/zinc/78/08/46/607780846.db2.gz VWTJUOSHBJQGIH-UHFFFAOYSA-N 0 1 378.458 1.626 20 0 GDADMN CCC[C@@H](C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)[NH+](C)C ZINC000825225005 607792275 /nfs/dbraw/zinc/79/22/75/607792275.db2.gz JHUFJCVKBKZAFR-HNNXBMFYSA-N 0 1 375.452 1.385 20 0 GDADMN CN1CCC[C@H]1[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826034168 607815466 /nfs/dbraw/zinc/81/54/66/607815466.db2.gz OHDJIOKJHFVIGT-IRXDYDNUSA-N 0 1 390.513 1.199 20 0 GDADMN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000826291205 607825869 /nfs/dbraw/zinc/82/58/69/607825869.db2.gz URLSWUHIFRKBNX-UHFFFAOYSA-N 0 1 399.415 1.752 20 0 GDADMN Fc1cc(F)c2ncc(-c3nn[nH]n3)c(N3CCN([C@H]4CCOC4)CC3)c2c1 ZINC000826372611 607849085 /nfs/dbraw/zinc/84/90/85/607849085.db2.gz FHNAXBXWNTVXMQ-LBPRGKRZSA-N 0 1 387.394 1.604 20 0 GDADMN Cc1ncc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[nH]n3)cc2)[nH]1 ZINC000826323935 607866207 /nfs/dbraw/zinc/86/62/07/607866207.db2.gz YDDGYOWCCIBLPC-ZDUSSCGKSA-N 0 1 384.425 1.052 20 0 GDADMN CC1(C)CN(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)C(=O)O1 ZINC000824807757 607888265 /nfs/dbraw/zinc/88/82/65/607888265.db2.gz MYLJFJTVPVKNAN-UHFFFAOYSA-N 0 1 388.432 1.042 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccccc3F)CC2)c1-c1nnn[n-]1 ZINC000826073311 608020231 /nfs/dbraw/zinc/02/02/31/608020231.db2.gz NNBUMGGNYRUGRV-UHFFFAOYSA-N 0 1 384.419 1.551 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccccc3F)CC2)c1-c1nn[n-]n1 ZINC000826073311 608020232 /nfs/dbraw/zinc/02/02/32/608020232.db2.gz NNBUMGGNYRUGRV-UHFFFAOYSA-N 0 1 384.419 1.551 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2c(C)noc2C)c1-c1nnn[n-]1 ZINC000826077537 608021252 /nfs/dbraw/zinc/02/12/52/608021252.db2.gz LMFXZMQEIQMCNC-VIFPVBQESA-N 0 1 387.448 1.479 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](C)c2c(C)noc2C)c1-c1nn[n-]n1 ZINC000826077537 608021253 /nfs/dbraw/zinc/02/12/53/608021253.db2.gz LMFXZMQEIQMCNC-VIFPVBQESA-N 0 1 387.448 1.479 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(C)CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826073622 608021395 /nfs/dbraw/zinc/02/13/95/608021395.db2.gz ZOQAYWLGSJVUQB-FQEVSTJZSA-N 0 1 394.483 1.876 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(C)CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826073622 608021396 /nfs/dbraw/zinc/02/13/96/608021396.db2.gz ZOQAYWLGSJVUQB-FQEVSTJZSA-N 0 1 394.483 1.876 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccccc2C)c1-c1nnn[n-]1 ZINC000826073154 608021732 /nfs/dbraw/zinc/02/17/32/608021732.db2.gz HASZRLVZZSKYLG-UHFFFAOYSA-N 0 1 382.472 1.967 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccccc2C)c1-c1nn[n-]n1 ZINC000826073154 608021733 /nfs/dbraw/zinc/02/17/33/608021733.db2.gz HASZRLVZZSKYLG-UHFFFAOYSA-N 0 1 382.472 1.967 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2-n2cccn2)c1-c1nnn[n-]1 ZINC000826083809 608022482 /nfs/dbraw/zinc/02/24/82/608022482.db2.gz RJJAVYKURNLKSJ-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2-n2cccn2)c1-c1nn[n-]n1 ZINC000826083809 608022483 /nfs/dbraw/zinc/02/24/83/608022483.db2.gz 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ZDQBSNGZACJRLM-QMMMGPOBSA-N 0 1 386.441 1.247 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCCN1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271352 945643128 /nfs/dbraw/zinc/64/31/28/945643128.db2.gz ASFVSWJIVHWMTC-DGCLKSJQSA-N 0 1 386.485 1.445 20 0 GDADMN Cc1ncsc1CCN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571271884 945652168 /nfs/dbraw/zinc/65/21/68/945652168.db2.gz LUQUVRCMRWGFPD-CYBMUJFWSA-N 0 1 386.485 1.397 20 0 GDADMN O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001571273053 945677306 /nfs/dbraw/zinc/67/73/06/945677306.db2.gz NYWPYIBXSPBQMW-HOTGVXAUSA-N 0 1 386.460 1.151 20 0 GDADMN O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001571273053 945677310 /nfs/dbraw/zinc/67/73/10/945677310.db2.gz NYWPYIBXSPBQMW-HOTGVXAUSA-N 0 1 386.460 1.151 20 0 GDADMN O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001571273055 945678026 /nfs/dbraw/zinc/67/80/26/945678026.db2.gz NYWPYIBXSPBQMW-JKSUJKDBSA-N 0 1 386.460 1.151 20 0 GDADMN O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001571273055 945678031 /nfs/dbraw/zinc/67/80/31/945678031.db2.gz NYWPYIBXSPBQMW-JKSUJKDBSA-N 0 1 386.460 1.151 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571281832 945817848 /nfs/dbraw/zinc/81/78/48/945817848.db2.gz AVJWSRRFMBZOTP-QMTHXVAHSA-N 0 1 387.444 1.713 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571281832 945817863 /nfs/dbraw/zinc/81/78/63/945817863.db2.gz AVJWSRRFMBZOTP-QMTHXVAHSA-N 0 1 387.444 1.713 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001571282270 945835963 /nfs/dbraw/zinc/83/59/63/945835963.db2.gz FSARJLYZCPTWMF-LZWOXQAQSA-N 0 1 387.463 1.574 20 0 GDADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)c1nccs1 ZINC001571282535 945850991 /nfs/dbraw/zinc/85/09/91/945850991.db2.gz JQZBXMKLRNALMG-LBPRGKRZSA-N 0 1 387.444 1.714 20 0 GDADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)c1nccs1 ZINC001571282535 945851006 /nfs/dbraw/zinc/85/10/06/945851006.db2.gz JQZBXMKLRNALMG-LBPRGKRZSA-N 0 1 387.444 1.714 20 0 GDADMN CN1CCCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571282644 945852906 /nfs/dbraw/zinc/85/29/06/945852906.db2.gz MXQCEZWCZIFHIC-KXBFYZLASA-N 0 1 387.463 1.575 20 0 GDADMN CC[C@@H](C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1)[NH+](C)C ZINC001571283701 945889209 /nfs/dbraw/zinc/88/92/09/945889209.db2.gz HEAWGDWPZKISQV-DOMZBBRYSA-N 0 1 387.492 1.036 20 0 GDADMN CC[C@@H](C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1)[NH+](C)C ZINC001571284858 945904705 /nfs/dbraw/zinc/90/47/05/945904705.db2.gz VCIZOOWOXGGCQI-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@@H](C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1)[NH+](C)C ZINC001571284858 945904714 /nfs/dbraw/zinc/90/47/14/945904714.db2.gz VCIZOOWOXGGCQI-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN Cc1cc(N(C)C[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571284713 945905696 /nfs/dbraw/zinc/90/56/96/945905696.db2.gz ULZPLCQLZCOAHD-AWEZNQCLSA-N 0 1 387.488 1.406 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCc2cc(F)ccc2F)cc1-c1nn[nH]n1 ZINC000821979884 945915466 /nfs/dbraw/zinc/91/54/66/945915466.db2.gz ZZIUFPDHPKWPBX-UHFFFAOYSA-N 0 1 392.391 1.940 20 0 GDADMN O=C(NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)C1CCOCC1 ZINC001571287386 945970275 /nfs/dbraw/zinc/97/02/75/945970275.db2.gz CNPDQRITLLCCHE-UHFFFAOYSA-N 0 1 388.447 1.513 20 0 GDADMN CO[C@@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C1CCC1 ZINC001571288458 945987972 /nfs/dbraw/zinc/98/79/72/945987972.db2.gz PAWQLGYDONCCOZ-NVXWUHKLSA-N 0 1 388.447 1.511 20 0 GDADMN CC1(C(=O)N2CC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)CCOCC1 ZINC001571288743 945993675 /nfs/dbraw/zinc/99/36/75/945993675.db2.gz SQOJBNSVJSRRRX-OAHLLOKOSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@H]1CO[C@H](C(=O)NC2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001571288931 945995071 /nfs/dbraw/zinc/99/50/71/945995071.db2.gz USRKAPUFMMWUAT-PXAZEXFGSA-N 0 1 388.447 1.511 20 0 GDADMN C[C@H](NC(=O)[C@H]1CCCCO1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289147 945995431 /nfs/dbraw/zinc/99/54/31/945995431.db2.gz VVIFCNHRCATLID-YVEFUNNKSA-N 0 1 388.447 1.511 20 0 GDADMN O=C(C[C@@H]1CCOC1)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571290185 946032626 /nfs/dbraw/zinc/03/26/26/946032626.db2.gz XEZMYKNGATWFTD-KCQAQPDRSA-N 0 1 388.497 1.388 20 0 GDADMN O=C(C[C@@H]1CCOC1)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571290185 946032639 /nfs/dbraw/zinc/03/26/39/946032639.db2.gz XEZMYKNGATWFTD-KCQAQPDRSA-N 0 1 388.497 1.388 20 0 GDADMN Cc1ccc(CNC(=O)c2nc[nH]c(=O)c2Br)cc1-c1nn[nH]n1 ZINC001571294246 946129494 /nfs/dbraw/zinc/12/94/94/946129494.db2.gz CIFIQEAUWUIEHU-UHFFFAOYSA-N 0 1 390.201 1.363 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1csc(Cl)n1 ZINC001571295352 946161942 /nfs/dbraw/zinc/16/19/42/946161942.db2.gz YPYHGKHSNXLMGL-LBPRGKRZSA-N 0 1 389.872 1.981 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1csnn1 ZINC001571298741 946226397 /nfs/dbraw/zinc/22/63/97/946226397.db2.gz QHQUCWXPOAHEHD-VHSXEESVSA-N 0 1 390.498 1.563 20 0 GDADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1csnn1 ZINC001571298741 946226411 /nfs/dbraw/zinc/22/64/11/946226411.db2.gz QHQUCWXPOAHEHD-VHSXEESVSA-N 0 1 390.498 1.563 20 0 GDADMN O=C(CN1CCCC1)N[C@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299020 946236213 /nfs/dbraw/zinc/23/62/13/946236213.db2.gz HBUCDBHYBXNBPS-ZDUSSCGKSA-N 0 1 390.879 1.096 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c(C)c1 ZINC001571299496 946252283 /nfs/dbraw/zinc/25/22/83/946252283.db2.gz SMVHHYOBUHSWQA-GOEBONIOSA-N 0 1 390.451 1.624 20 0 GDADMN Cc1nsc(N2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299728 946260387 /nfs/dbraw/zinc/26/03/87/946260387.db2.gz OXMJZEDNHMGKCR-YPMHNXCESA-N 0 1 390.517 1.011 20 0 GDADMN Cc1nsc(N2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299728 946260393 /nfs/dbraw/zinc/26/03/93/946260393.db2.gz OXMJZEDNHMGKCR-YPMHNXCESA-N 0 1 390.517 1.011 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3ccnc(C4CC4)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299768 946262920 /nfs/dbraw/zinc/26/29/20/946262920.db2.gz UIBXRKBPAHZRDR-HNNXBMFYSA-N 0 1 390.451 1.851 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(Cl)s1 ZINC001571300284 946277293 /nfs/dbraw/zinc/27/72/93/946277293.db2.gz YVFWAGMVAQGZKM-BDAKNGLRSA-N 0 1 390.860 1.509 20 0 GDADMN Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1-c1nn[n-]n1 ZINC001571300252 946278827 /nfs/dbraw/zinc/27/88/27/946278827.db2.gz XWUMFLUXHSSTAU-CHWSQXEVSA-N 0 1 390.517 1.376 20 0 GDADMN Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1-c1nn[n-]n1 ZINC001571300252 946278838 /nfs/dbraw/zinc/27/88/38/946278838.db2.gz XWUMFLUXHSSTAU-CHWSQXEVSA-N 0 1 390.517 1.376 20 0 GDADMN C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571301871 946285817 /nfs/dbraw/zinc/28/58/17/946285817.db2.gz GNFHZHGNMSGAMY-RYUDHWBXSA-N 0 1 391.426 1.625 20 0 GDADMN CN(Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571308545 946434020 /nfs/dbraw/zinc/43/40/20/946434020.db2.gz QPLMIPHFQOBQOV-FZKQIMNGSA-N 0 1 392.410 1.167 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571309420 946444614 /nfs/dbraw/zinc/44/46/14/946444614.db2.gz ZNMUHWGHVXZQPV-RYUDHWBXSA-N 0 1 392.414 1.519 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571309474 946444735 /nfs/dbraw/zinc/44/47/35/946444735.db2.gz BCFPDLMLKTUXSF-NEPJUHHUSA-N 0 1 392.414 1.567 20 0 GDADMN Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccc(=O)[nH]2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571309992 946460196 /nfs/dbraw/zinc/46/01/96/946460196.db2.gz RKOKLQBRPYCMGA-DFBGVHRSSA-N 0 1 392.423 1.210 20 0 GDADMN CCc1cncc(C(=O)N2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)c1 ZINC001571312702 946499005 /nfs/dbraw/zinc/49/90/05/946499005.db2.gz AVNPZQDWLMCFFV-UHFFFAOYSA-N 0 1 392.467 1.880 20 0 GDADMN CCc1cccnc1C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571313650 946527367 /nfs/dbraw/zinc/52/73/67/946527367.db2.gz SIXXROJWMKLNCT-AWEZNQCLSA-N 0 1 392.467 1.605 20 0 GDADMN CC(=O)NC[C@@H]1CCCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823994892 946535363 /nfs/dbraw/zinc/53/53/63/946535363.db2.gz RIAJHEYDWYOCMT-YJBOKZPZSA-N 0 1 397.483 1.210 20 0 GDADMN Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)Cc2cccnc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314781 946545092 /nfs/dbraw/zinc/54/50/92/946545092.db2.gz CRJRPABLBRKSJV-WBVHZDCISA-N 0 1 392.467 1.327 20 0 GDADMN Cc1ccc(CC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)cn1 ZINC001571316196 946568400 /nfs/dbraw/zinc/56/84/00/946568400.db2.gz WANWKQNXSKIAND-HOCLYGCPSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1ccc(C(=O)N[C@@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C23CCC3)n1C ZINC001571316252 946571322 /nfs/dbraw/zinc/57/13/22/946571322.db2.gz XNHXSDUIBZIIOH-IAGOWNOFSA-N 0 1 392.467 1.484 20 0 GDADMN Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316301 946571595 /nfs/dbraw/zinc/57/15/95/946571595.db2.gz YSEQMLRTBNODJT-GDBMZVCRSA-N 0 1 392.467 1.594 20 0 GDADMN Cc1cnc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571316408 946577621 /nfs/dbraw/zinc/57/76/21/946577621.db2.gz BVIVVQOYQATJDW-INIZCTEOSA-N 0 1 392.467 1.559 20 0 GDADMN Cc1ncc(C(=O)N2C[C@H]3CCN(Cc4ccccc4-c4nn[nH]n4)C[C@H]32)n1C ZINC001571316501 946580025 /nfs/dbraw/zinc/58/00/25/946580025.db2.gz DSHPUWVTEIVGFQ-CRAIPNDOSA-N 0 1 392.467 1.255 20 0 GDADMN C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC(C)(C)C1 ZINC000824983539 947020255 /nfs/dbraw/zinc/02/02/55/947020255.db2.gz BGOKXZKAEHAZDU-AWEZNQCLSA-N 0 1 397.483 1.956 20 0 GDADMN CCOc1cccc([C@@H]2C[C@@H]2N[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648738 947271127 /nfs/dbraw/zinc/27/11/27/947271127.db2.gz ACZCBSBHSPEOPY-OKZBNKHCSA-N 0 1 378.436 1.938 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573591559 947318292 /nfs/dbraw/zinc/31/82/92/947318292.db2.gz CTOQVIGZTMEJJO-NSHDSACASA-N 0 1 379.415 1.980 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573597788 947440378 /nfs/dbraw/zinc/44/03/78/947440378.db2.gz ONOZANIMIBCNGT-NEPJUHHUSA-N 0 1 380.518 1.519 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573597788 947440388 /nfs/dbraw/zinc/44/03/88/947440388.db2.gz ONOZANIMIBCNGT-NEPJUHHUSA-N 0 1 380.518 1.519 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCCO1 ZINC001573603013 947477589 /nfs/dbraw/zinc/47/75/89/947477589.db2.gz IUYWXTHTCRVXSV-SUMWQHHRSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573613517 947564441 /nfs/dbraw/zinc/56/44/41/947564441.db2.gz BNZZLJHXCMPTIA-VBKZILBWSA-N 0 1 392.467 1.533 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573615183 947600002 /nfs/dbraw/zinc/60/00/02/947600002.db2.gz IQIRMAAHDLAEIS-HUUCEWRRSA-N 0 1 380.456 1.397 20 0 GDADMN C=Cc1ccc(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC001573355388 947642547 /nfs/dbraw/zinc/64/25/47/947642547.db2.gz OVQJQDDUJAZPHJ-HNNXBMFYSA-N 0 1 376.424 1.342 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573618939 947658294 /nfs/dbraw/zinc/65/82/94/947658294.db2.gz UCKZRCGLGDLCDB-RYUDHWBXSA-N 0 1 379.415 1.838 20 0 GDADMN C[C@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573619583 947667377 /nfs/dbraw/zinc/66/73/77/947667377.db2.gz VVDBISCXWFAYNB-AWEZNQCLSA-N 0 1 392.467 1.533 20 0 GDADMN Cc1cc(CC(=O)O[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)n[nH]1 ZINC000826266071 947767735 /nfs/dbraw/zinc/76/77/35/947767735.db2.gz AMUMWVLDTAEMOW-HNNXBMFYSA-N 0 1 381.396 1.180 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1)C(C)(F)F ZINC001573629016 947769145 /nfs/dbraw/zinc/76/91/45/947769145.db2.gz QDRXXTNZZGYFFV-VXGBXAGGSA-N 0 1 379.415 1.980 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573629817 947783360 /nfs/dbraw/zinc/78/33/60/947783360.db2.gz VWTOXZUFGDBFQT-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573372863 947784647 /nfs/dbraw/zinc/78/46/47/947784647.db2.gz DYVHBZFRPVVUHA-HUUCEWRRSA-N 0 1 385.472 1.482 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573372964 947787262 /nfs/dbraw/zinc/78/72/62/947787262.db2.gz GONPKTWNHRAUJB-AWEZNQCLSA-N 0 1 386.460 1.091 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H]1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573374600 947808876 /nfs/dbraw/zinc/80/88/76/947808876.db2.gz OJQGXYBFGJQVFH-MRXNPFEDSA-N 0 1 388.447 1.846 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001573376184 947831005 /nfs/dbraw/zinc/83/10/05/947831005.db2.gz SQVBDAXPPLAWDC-ZBFHGGJFSA-N 0 1 385.472 1.803 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573376273 947833688 /nfs/dbraw/zinc/83/36/88/947833688.db2.gz XASWHGWMABREFJ-SUMWQHHRSA-N 0 1 385.472 1.482 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573381144 947868574 /nfs/dbraw/zinc/86/85/74/947868574.db2.gz OSQQWVGJAZKQSV-AWEZNQCLSA-N 0 1 386.460 1.281 20 0 GDADMN CC(=O)CCCC(=O)NCCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573383892 947897386 /nfs/dbraw/zinc/89/73/86/947897386.db2.gz ZIMSLIMONXEVPZ-UHFFFAOYSA-N 0 1 385.472 1.744 20 0 GDADMN C[C@@H](C(=O)N[C@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573652496 947939910 /nfs/dbraw/zinc/93/99/10/947939910.db2.gz CVMAZSLUNPFTQP-BJOHPYRUSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](C(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001573652499 947940158 /nfs/dbraw/zinc/94/01/58/947940158.db2.gz CVMAZSLUNPFTQP-VFZGTOFNSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573652869 947948011 /nfs/dbraw/zinc/94/80/11/947948011.db2.gz HSUPORXCZCWWHH-MFKMUULPSA-N 0 1 384.469 1.251 20 0 GDADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CNCc1ccc(-c2nn[nH]n2)cc1 ZINC000826334252 947967520 /nfs/dbraw/zinc/96/75/20/947967520.db2.gz NWCNWTKCEYXANY-UHFFFAOYSA-N 0 1 383.456 1.921 20 0 GDADMN C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573655728 947979154 /nfs/dbraw/zinc/97/91/54/947979154.db2.gz YOVJBJQNALASGD-DTWKUNHWSA-N 0 1 386.382 1.220 20 0 GDADMN Cc1onc(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826342878 947986876 /nfs/dbraw/zinc/98/68/76/947986876.db2.gz CYXBVHPYIUJTGX-MRXNPFEDSA-N 0 1 395.467 1.686 20 0 GDADMN Cc1onc(CC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826342878 947986885 /nfs/dbraw/zinc/98/68/85/947986885.db2.gz CYXBVHPYIUJTGX-MRXNPFEDSA-N 0 1 395.467 1.686 20 0 GDADMN Cc1onc(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826342878 947986890 /nfs/dbraw/zinc/98/68/90/947986890.db2.gz CYXBVHPYIUJTGX-MRXNPFEDSA-N 0 1 395.467 1.686 20 0 GDADMN Cc1onc(CC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826342878 947986896 /nfs/dbraw/zinc/98/68/96/947986896.db2.gz CYXBVHPYIUJTGX-MRXNPFEDSA-N 0 1 395.467 1.686 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345594 948025003 /nfs/dbraw/zinc/02/50/03/948025003.db2.gz ONMJSUYUJNYDJW-MRXNPFEDSA-N 0 1 381.440 1.659 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345594 948025009 /nfs/dbraw/zinc/02/50/09/948025009.db2.gz ONMJSUYUJNYDJW-MRXNPFEDSA-N 0 1 381.440 1.659 20 0 GDADMN C[C@@H](C(=O)N[C@]1(CO)CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573664633 948058867 /nfs/dbraw/zinc/05/88/67/948058867.db2.gz WBZVBOJFUCSNCX-JLTOFOAXSA-N 0 1 384.484 1.356 20 0 GDADMN C[C@H](C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)C(C)(C)C ZINC001573665248 948070250 /nfs/dbraw/zinc/07/02/50/948070250.db2.gz JNCWFPKAIBGCBE-OXBKQFJYSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573677483 948137754 /nfs/dbraw/zinc/13/77/54/948137754.db2.gz AZKLRAAVALXITM-CMPLNLGQSA-N 0 1 384.469 1.251 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@H](C)c1cccs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573678989 948156118 /nfs/dbraw/zinc/15/61/18/948156118.db2.gz HGGJVKRCPQIVNE-NEPJUHHUSA-N 0 1 386.485 1.497 20 0 GDADMN CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573432635 948192017 /nfs/dbraw/zinc/19/20/17/948192017.db2.gz HKOIWQBFZZAVOV-OCCSQVGLSA-N 0 1 386.353 1.895 20 0 GDADMN C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccsc1 ZINC001573681874 948217662 /nfs/dbraw/zinc/21/76/62/948217662.db2.gz YIGPHSOVFRIODR-GWCFXTLKSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573702915 948351083 /nfs/dbraw/zinc/35/10/83/948351083.db2.gz HNMIGZFECQVYQN-JSGCOSHPSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573703395 948355516 /nfs/dbraw/zinc/35/55/16/948355516.db2.gz JVPGTEKNLGFZJK-ZFWWWQNUSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573703466 948356261 /nfs/dbraw/zinc/35/62/61/948356261.db2.gz KGNHUYAQAGAQEW-CABCVRRESA-N 0 1 380.456 1.657 20 0 GDADMN C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573706785 948424352 /nfs/dbraw/zinc/42/43/52/948424352.db2.gz LZZMGKBVZJWRIB-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573707500 948434025 /nfs/dbraw/zinc/43/40/25/948434025.db2.gz POEJMUDPJPZVGK-KGLIPLIRSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573707500 948434028 /nfs/dbraw/zinc/43/40/28/948434028.db2.gz POEJMUDPJPZVGK-KGLIPLIRSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573707500 948434031 /nfs/dbraw/zinc/43/40/31/948434031.db2.gz POEJMUDPJPZVGK-KGLIPLIRSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573707500 948434035 /nfs/dbraw/zinc/43/40/35/948434035.db2.gz POEJMUDPJPZVGK-KGLIPLIRSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573714754 948476808 /nfs/dbraw/zinc/47/68/08/948476808.db2.gz JSQVMZXYSPAXFW-GHMZBOCLSA-N 0 1 380.403 1.281 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001573729987 948573613 /nfs/dbraw/zinc/57/36/13/948573613.db2.gz XNCMCPBFDPGGSD-GUIRCDHDSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001573729987 948573619 /nfs/dbraw/zinc/57/36/19/948573619.db2.gz XNCMCPBFDPGGSD-GUIRCDHDSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573740432 948634762 /nfs/dbraw/zinc/63/47/62/948634762.db2.gz OWOKPIWYSDJIKT-KYXWUPHJSA-N 0 1 382.350 1.081 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C1CCCC1 ZINC001573740660 948640399 /nfs/dbraw/zinc/64/03/99/948640399.db2.gz MGNPNQNCZRJIRX-VHSSKADRSA-N 0 1 384.484 1.354 20 0 GDADMN CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001574416151 948745197 /nfs/dbraw/zinc/74/51/97/948745197.db2.gz PQHLYGYIJLNPBX-NEPJUHHUSA-N 0 1 381.444 1.216 20 0 GDADMN CC(F)(F)C1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575221814 948752214 /nfs/dbraw/zinc/75/22/14/948752214.db2.gz DGGJBZRMRQQFBX-SNVBAGLBSA-N 0 1 378.387 1.177 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1cccs1 ZINC001573755438 948768709 /nfs/dbraw/zinc/76/87/09/948768709.db2.gz DTLUZPSWVGMTHA-PUHVVEEASA-N 0 1 382.453 1.073 20 0 GDADMN CC(C)[C@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001574081137 948816669 /nfs/dbraw/zinc/81/66/69/948816669.db2.gz QSUYKKMOUBFPPG-UVBSCNOISA-N 0 1 388.451 1.516 20 0 GDADMN C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574918217 948838963 /nfs/dbraw/zinc/83/89/63/948838963.db2.gz HJYZBONRQVLFHX-LBPRGKRZSA-N 0 1 386.485 1.682 20 0 GDADMN CC(F)(F)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001575229492 948846155 /nfs/dbraw/zinc/84/61/55/948846155.db2.gz KEVGLQROSZHPDL-LBPRGKRZSA-N 0 1 382.390 1.989 20 0 GDADMN CC(F)(F)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001575229492 948846167 /nfs/dbraw/zinc/84/61/67/948846167.db2.gz KEVGLQROSZHPDL-LBPRGKRZSA-N 0 1 382.390 1.989 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573763151 948863990 /nfs/dbraw/zinc/86/39/90/948863990.db2.gz BZINEFGKBJTTPV-VIFPVBQESA-N 0 1 384.366 1.070 20 0 GDADMN C[C@@H](CNC(=O)CCCc1ccccn1)CNc1ccncc1-c1nn[nH]n1 ZINC001574919398 948877182 /nfs/dbraw/zinc/87/71/82/948877182.db2.gz YNOUUWOIJSDQLD-CQSZACIVSA-N 0 1 380.456 1.266 20 0 GDADMN C[C@H](CNC(=O)CCc1cncs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920342 948899488 /nfs/dbraw/zinc/89/94/88/948899488.db2.gz JBYNSZFRQGHANI-LLVKDONJSA-N 0 1 389.460 1.689 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C1=CCOCC1 ZINC001574685003 948900072 /nfs/dbraw/zinc/90/00/72/948900072.db2.gz QSLUGFTXDZTHLT-QMMMGPOBSA-N 0 1 383.865 1.630 20 0 GDADMN CC(C)(C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001573771048 948933104 /nfs/dbraw/zinc/93/31/04/948933104.db2.gz AGSMOWSGBQRFGB-ZDUSSCGKSA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573779870 949072876 /nfs/dbraw/zinc/07/28/76/949072876.db2.gz OKHQHVZFAOBSPK-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)c1nocc1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001574441889 949080741 /nfs/dbraw/zinc/08/07/41/949080741.db2.gz DSHZKYSKCUUJBY-LBPRGKRZSA-N 0 1 385.432 1.057 20 0 GDADMN CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574441891 949083303 /nfs/dbraw/zinc/08/33/03/949083303.db2.gz DSLLYBWFPSJNHO-IAQYHMDHSA-N 0 1 382.428 1.368 20 0 GDADMN CC(C)(C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(F)F ZINC001573780323 949092239 /nfs/dbraw/zinc/09/22/39/949092239.db2.gz WFTJYBGZXOXSPD-UHFFFAOYSA-N 0 1 379.415 1.886 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001574694989 949100709 /nfs/dbraw/zinc/10/07/09/949100709.db2.gz YICHQQYQFHGQDM-CZUORRHYSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCC1 ZINC001574694989 949100720 /nfs/dbraw/zinc/10/07/20/949100720.db2.gz YICHQQYQFHGQDM-CZUORRHYSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574443302 949108401 /nfs/dbraw/zinc/10/84/01/949108401.db2.gz XBIKUSLHRUYHHG-LBPRGKRZSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@H](CNC(=O)COCC1CCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574930673 949110325 /nfs/dbraw/zinc/11/03/25/949110325.db2.gz LHKZHIPMGDWHGE-CYBMUJFWSA-N 0 1 390.463 1.807 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573782304 949119496 /nfs/dbraw/zinc/11/94/96/949119496.db2.gz QWOZGXKPHYKCBA-OTVXOJSOSA-N 0 1 392.467 1.363 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001574093922 949123986 /nfs/dbraw/zinc/12/39/86/949123986.db2.gz TVSGFWKTVWUXJF-ZJUUUORDSA-N 0 1 381.893 1.917 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575252415 949162058 /nfs/dbraw/zinc/16/20/58/949162058.db2.gz QHXGAZIECQCBGY-BDAKNGLRSA-N 0 1 386.382 1.362 20 0 GDADMN C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575252852 949175963 /nfs/dbraw/zinc/17/59/63/949175963.db2.gz IABZOTSNEUFVOM-OLZOCXBDSA-N 0 1 388.451 1.518 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574935039 949192244 /nfs/dbraw/zinc/19/22/44/949192244.db2.gz XQZZEXQKWDKAOM-ZDUSSCGKSA-N 0 1 386.481 1.944 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574935039 949192252 /nfs/dbraw/zinc/19/22/52/949192252.db2.gz XQZZEXQKWDKAOM-ZDUSSCGKSA-N 0 1 386.481 1.944 20 0 GDADMN CC(C)(C)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573791529 949219131 /nfs/dbraw/zinc/21/91/31/949219131.db2.gz BOAMUHSVJMTODM-UHFFFAOYSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)(C)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573791529 949219152 /nfs/dbraw/zinc/21/91/52/949219152.db2.gz BOAMUHSVJMTODM-UHFFFAOYSA-N 0 1 378.502 1.417 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C2(F)CCCCC2)CC1 ZINC001575853940 949225854 /nfs/dbraw/zinc/22/58/54/949225854.db2.gz PDSJQKKKWOBVDU-UHFFFAOYSA-N 0 1 388.451 1.544 20 0 GDADMN CC(C)(C)C(=O)N1CCC([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001573792152 949241270 /nfs/dbraw/zinc/24/12/70/949241270.db2.gz LXLGQLIXXNTZOU-AWEZNQCLSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574940184 949253886 /nfs/dbraw/zinc/25/38/86/949253886.db2.gz ARPMBINPDJNBLG-LLVKDONJSA-N 0 1 386.847 1.139 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1 ZINC001589605671 949262029 /nfs/dbraw/zinc/26/20/29/949262029.db2.gz UOJSDQMBSXCIAO-HLIPFELVSA-N 0 1 376.453 1.945 20 0 GDADMN CC1=C(C)C[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)CC1 ZINC001575861518 949323265 /nfs/dbraw/zinc/32/32/65/949323265.db2.gz SXLYHFMDPFPGDE-QLFBSQMISA-N 0 1 382.472 1.734 20 0 GDADMN C[C@@H](Nc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H](C)NC(=O)C1=CCOCC1 ZINC001575260056 949341559 /nfs/dbraw/zinc/34/15/59/949341559.db2.gz TZRIQPMQUDWNQD-JGVFFNPUSA-N 0 1 383.865 1.628 20 0 GDADMN C[C@H](NC(=O)C1CC(F)(F)C1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575261045 949372821 /nfs/dbraw/zinc/37/28/21/949372821.db2.gz ZXBPYIGRKUPCPQ-VIFPVBQESA-N 0 1 382.440 1.910 20 0 GDADMN C[C@H](NC(=O)[C@H]1CCCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575262729 949376822 /nfs/dbraw/zinc/37/68/22/949376822.db2.gz BRPOPGGLLSXRDU-STQMWFEESA-N 0 1 388.447 1.369 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CCCOC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575262728 949377215 /nfs/dbraw/zinc/37/72/15/949377215.db2.gz BRPOPGGLLSXRDU-QWHCGFSZSA-N 0 1 388.447 1.369 20 0 GDADMN CC(C)n1ccc(CNC2CC(N(C)C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574460636 949378399 /nfs/dbraw/zinc/37/83/99/949378399.db2.gz UXYAARVBSLATLQ-UHFFFAOYSA-N 0 1 383.460 1.365 20 0 GDADMN CC(C)n1cccc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574460956 949380551 /nfs/dbraw/zinc/38/05/51/949380551.db2.gz ZXDMXYVPYWBOLI-UHFFFAOYSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575262836 949385219 /nfs/dbraw/zinc/38/52/19/949385219.db2.gz CMCKMOYFHBEGED-QWHCGFSZSA-N 0 1 377.452 1.404 20 0 GDADMN CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C1(C)C ZINC001574112599 949385728 /nfs/dbraw/zinc/38/57/28/949385728.db2.gz LGLJHTVBAZMYBG-WQVCFCJDSA-N 0 1 384.488 1.812 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccon1 ZINC001576155290 949392896 /nfs/dbraw/zinc/39/28/96/949392896.db2.gz HTPFAOBSJCIPCK-KPZWWZAWSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576155589 949409937 /nfs/dbraw/zinc/40/99/37/949409937.db2.gz JJCVOSYCFSQUKE-DZGCQCFKSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[NH+](C)C ZINC001576156380 949442098 /nfs/dbraw/zinc/44/20/98/949442098.db2.gz MNXINCLLHZKMFG-FZKQIMNGSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[NH+](C)C ZINC001576156380 949442115 /nfs/dbraw/zinc/44/21/15/949442115.db2.gz MNXINCLLHZKMFG-FZKQIMNGSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575265291 949447475 /nfs/dbraw/zinc/44/74/75/949447475.db2.gz TXTMSKAOBFBOOV-NXEZZACHSA-N 0 1 382.419 1.455 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[NH+](C)C ZINC001576156581 949451341 /nfs/dbraw/zinc/45/13/41/949451341.db2.gz NGWMXPHGDHBTAR-FZKQIMNGSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[NH+](C)C ZINC001576156581 949451356 /nfs/dbraw/zinc/45/13/56/949451356.db2.gz NGWMXPHGDHBTAR-FZKQIMNGSA-N 0 1 387.492 1.085 20 0 GDADMN CC1(C(=O)N2CCC(O)(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCC1 ZINC001575536598 949475806 /nfs/dbraw/zinc/47/58/06/949475806.db2.gz KJFNJXUTINUJDA-UHFFFAOYSA-N 0 1 390.513 1.562 20 0 GDADMN CC1(C(=O)N2CCC(O)(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)CCC1 ZINC001575536598 949475817 /nfs/dbraw/zinc/47/58/17/949475817.db2.gz KJFNJXUTINUJDA-UHFFFAOYSA-N 0 1 390.513 1.562 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574708016 949478738 /nfs/dbraw/zinc/47/87/38/949478738.db2.gz RZGVTCBKCQHYKH-CHWSQXEVSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574708016 949478743 /nfs/dbraw/zinc/47/87/43/949478743.db2.gz RZGVTCBKCQHYKH-CHWSQXEVSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574949335 949490495 /nfs/dbraw/zinc/49/04/95/949490495.db2.gz UHAPROSQVAKLAY-VIFPVBQESA-N 0 1 380.865 1.073 20 0 GDADMN C[C@@H](CNC(=O)Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574949335 949490511 /nfs/dbraw/zinc/49/05/11/949490511.db2.gz UHAPROSQVAKLAY-VIFPVBQESA-N 0 1 380.865 1.073 20 0 GDADMN C[C@]1(C(=O)N2CC[C@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)CCCOC1 ZINC001575537742 949498717 /nfs/dbraw/zinc/49/87/17/949498717.db2.gz XCAYXEJNRYPXDX-KXBFYZLASA-N 0 1 388.447 1.513 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575871609 949514046 /nfs/dbraw/zinc/51/40/46/949514046.db2.gz AWMIZNFCPRDXLD-WBMJQRKESA-N 0 1 390.463 1.636 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268588 949521474 /nfs/dbraw/zinc/52/14/74/949521474.db2.gz NZYWVMLQWBYNJA-QWHCGFSZSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)CC(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574123137 949541346 /nfs/dbraw/zinc/54/13/46/949541346.db2.gz IMNFCORJDYVSJQ-UHFFFAOYSA-N 0 1 392.467 1.882 20 0 GDADMN C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574475871 949578997 /nfs/dbraw/zinc/57/89/97/949578997.db2.gz CSYJDZBNWDUKNN-GDBMZVCRSA-N 0 1 392.467 1.888 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166417 949580238 /nfs/dbraw/zinc/58/02/38/949580238.db2.gz LNYYOZQKEXTDGU-CHWSQXEVSA-N 0 1 388.451 1.400 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCCN1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001576166671 949586975 /nfs/dbraw/zinc/58/69/75/949586975.db2.gz NIQZEEBJDQPBEJ-DYVFJYSZSA-N 0 1 387.488 1.452 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cncnc1 ZINC001573812186 949612133 /nfs/dbraw/zinc/61/21/33/949612133.db2.gz QQJVIFLJROWKER-CQSZACIVSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cncnc1 ZINC001573812186 949612149 /nfs/dbraw/zinc/61/21/49/949612149.db2.gz QQJVIFLJROWKER-CQSZACIVSA-N 0 1 386.485 1.653 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957605 949624947 /nfs/dbraw/zinc/62/49/47/949624947.db2.gz CQOACOCTXKMDMK-LMRQPLJMSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957605 949624963 /nfs/dbraw/zinc/62/49/63/949624963.db2.gz CQOACOCTXKMDMK-LMRQPLJMSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272394 949642693 /nfs/dbraw/zinc/64/26/93/949642693.db2.gz QDENUEUWSDGTOQ-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272394 949642706 /nfs/dbraw/zinc/64/27/06/949642706.db2.gz QDENUEUWSDGTOQ-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCCCc1cn[nH]n1)[C@H](C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575273800 949675056 /nfs/dbraw/zinc/67/50/56/949675056.db2.gz YDLGDZNMUNNIGB-NWDGAFQWSA-N 0 1 384.448 1.098 20 0 GDADMN CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001575552670 949681913 /nfs/dbraw/zinc/68/19/13/949681913.db2.gz GUKPFBCVCUTPRA-DJJJIMSYSA-N 0 1 382.472 1.309 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574960240 949724569 /nfs/dbraw/zinc/72/45/69/949724569.db2.gz VUNGIOQSOHCYBC-FBIMIBRVSA-N 0 1 387.835 1.359 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574961028 949734003 /nfs/dbraw/zinc/73/40/03/949734003.db2.gz ZSJUBPMTROUNDO-VHDGCEQUSA-N 0 1 385.472 1.265 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCOC1 ZINC001573818970 949744523 /nfs/dbraw/zinc/74/45/23/949744523.db2.gz PURWEYYABCCPOH-XJKSGUPXSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)COC1CCCC1 ZINC001573819282 949750414 /nfs/dbraw/zinc/75/04/14/949750414.db2.gz SIPFSKUYXACFNX-MRXNPFEDSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cccc(F)c1 ZINC001573819780 949759654 /nfs/dbraw/zinc/75/96/54/949759654.db2.gz VDKVKWKMBYCBDP-CYBMUJFWSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171493 949767295 /nfs/dbraw/zinc/76/72/95/949767295.db2.gz RGBKYKVZVFKQPC-HIFRSBDPSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171493 949767305 /nfs/dbraw/zinc/76/73/05/949767305.db2.gz RGBKYKVZVFKQPC-HIFRSBDPSA-N 0 1 387.492 1.038 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccoc1Cl ZINC001573820688 949767345 /nfs/dbraw/zinc/76/73/45/949767345.db2.gz YTYKSRSELRAIOZ-JTQLQIEISA-N 0 1 390.835 1.582 20 0 GDADMN CC(C)C[C@@H](C)CN1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139011 949806083 /nfs/dbraw/zinc/80/60/83/949806083.db2.gz HJMDEFQRMIEXAD-UKRRQHHQSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574722122 949828305 /nfs/dbraw/zinc/82/83/05/949828305.db2.gz PLTHXCUFQHBYTE-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574722122 949828326 /nfs/dbraw/zinc/82/83/26/949828326.db2.gz PLTHXCUFQHBYTE-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574966345 949847076 /nfs/dbraw/zinc/84/70/76/949847076.db2.gz XTZRNJPWUYFDBS-ZLUOBGJFSA-N 0 1 377.808 1.794 20 0 GDADMN C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576174084 949849230 /nfs/dbraw/zinc/84/92/30/949849230.db2.gz ZUOXEAFZLLVGSA-KBPBESRZSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574723657 949857432 /nfs/dbraw/zinc/85/74/32/949857432.db2.gz ATKDDEJGYIXTOW-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574723657 949857452 /nfs/dbraw/zinc/85/74/52/949857452.db2.gz ATKDDEJGYIXTOW-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001573825248 949867185 /nfs/dbraw/zinc/86/71/85/949867185.db2.gz OEINGENAELDVQW-RQJHMYQMSA-N 0 1 389.869 1.256 20 0 GDADMN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574484666 949893673 /nfs/dbraw/zinc/89/36/73/949893673.db2.gz LPNPINKIRDWYKJ-WDEREUQCSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccon1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725972 949918099 /nfs/dbraw/zinc/91/80/99/949918099.db2.gz WKYHZFNETFFGBU-LBPRGKRZSA-N 0 1 387.419 1.563 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576180452 949953883 /nfs/dbraw/zinc/95/38/83/949953883.db2.gz HZJMLFDWKDJRRU-ZWNOBZJWSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576180452 949953898 /nfs/dbraw/zinc/95/38/98/949953898.db2.gz HZJMLFDWKDJRRU-ZWNOBZJWSA-N 0 1 388.457 1.342 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180680 949969900 /nfs/dbraw/zinc/96/99/00/949969900.db2.gz QGQYZPWYQBGXKN-RISCZKNCSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cc2ccccc2o1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574728531 949990990 /nfs/dbraw/zinc/99/09/90/949990990.db2.gz CAVIIZSRDWMXIW-GFCCVEGCSA-N 0 1 392.423 1.326 20 0 GDADMN CC(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576181243 949992996 /nfs/dbraw/zinc/99/29/96/949992996.db2.gz SGIZOQVVNFWQHM-KGLIPLIRSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@H](NC(=O)Cc1ccoc1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575289621 950000224 /nfs/dbraw/zinc/00/02/24/950000224.db2.gz ALZJQDPDQVWFER-ZFWWWQNUSA-N 0 1 381.440 1.819 20 0 GDADMN C[C@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574490812 950019017 /nfs/dbraw/zinc/01/90/17/950019017.db2.gz ZPAZOZXJWKEQPQ-FZKQIMNGSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574730970 950043506 /nfs/dbraw/zinc/04/35/06/950043506.db2.gz UNCTXISYSWXKGX-NSHDSACASA-N 0 1 387.394 1.463 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574730969 950043784 /nfs/dbraw/zinc/04/37/84/950043784.db2.gz UNCTXISYSWXKGX-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN CC(C)(C)CC(=O)N[C@]1(CO)CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573835317 950047622 /nfs/dbraw/zinc/04/76/22/950047622.db2.gz UWXCGLMWIMAYAZ-HXUWFJFHSA-N 0 1 386.500 1.746 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ncc[nH]1 ZINC001574151355 950068264 /nfs/dbraw/zinc/06/82/64/950068264.db2.gz PUGLEYGDQKKRGF-CQSZACIVSA-N 0 1 386.435 1.663 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574151316 950070992 /nfs/dbraw/zinc/07/09/92/950070992.db2.gz PDGOXOFUCXTWDL-UYHMYPTGSA-N 0 1 390.513 1.441 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574151316 950071013 /nfs/dbraw/zinc/07/10/13/950071013.db2.gz PDGOXOFUCXTWDL-UYHMYPTGSA-N 0 1 390.513 1.441 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cccn1 ZINC001574493022 950112459 /nfs/dbraw/zinc/11/24/59/950112459.db2.gz QSGHFMANHFHRMA-WMLDXEAASA-N 0 1 380.456 1.405 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)CCOC1 ZINC001575582584 950122758 /nfs/dbraw/zinc/12/27/58/950122758.db2.gz KTEIODAGIVPURK-LJCCNALRSA-N 0 1 382.468 1.087 20 0 GDADMN C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184920 950144818 /nfs/dbraw/zinc/14/48/18/950144818.db2.gz YENIRUQUPCPNBR-QWHCGFSZSA-N 0 1 388.451 1.115 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184919 950145583 /nfs/dbraw/zinc/14/55/83/950145583.db2.gz YENIRUQUPCPNBR-OLZOCXBDSA-N 0 1 388.451 1.115 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576185115 950154327 /nfs/dbraw/zinc/15/43/27/950154327.db2.gz ZGPUMAMPUKMNRS-STQMWFEESA-N 0 1 382.428 1.415 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574494664 950174014 /nfs/dbraw/zinc/17/40/14/950174014.db2.gz MLHFMHOQRRRXTE-ZIAGYGMSSA-N 0 1 380.456 1.791 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574154764 950180405 /nfs/dbraw/zinc/18/04/05/950180405.db2.gz HDZIZZDOUQCPEI-ZBFHGGJFSA-N 0 1 392.467 1.361 20 0 GDADMN CC(C)(C)CCCN1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845275 950217145 /nfs/dbraw/zinc/21/71/45/950217145.db2.gz UONTWOMYJLJBCJ-CYBMUJFWSA-N 0 1 375.477 1.452 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)n1cccc1 ZINC001574156208 950231257 /nfs/dbraw/zinc/23/12/57/950231257.db2.gz YXTKWTDDYYGWPV-UONOGXRCSA-N 0 1 383.460 1.084 20 0 GDADMN C[C@H](CC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001574497975 950250068 /nfs/dbraw/zinc/25/00/68/950250068.db2.gz HKOQZLFTUXKPJR-UKRRQHHQSA-N 0 1 387.488 1.179 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccncc1F ZINC001574157691 950250536 /nfs/dbraw/zinc/25/05/36/950250536.db2.gz GRFKATIYHOLCMD-GFCCVEGCSA-N 0 1 384.419 1.474 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)n1cccn1 ZINC001574157815 950255810 /nfs/dbraw/zinc/25/58/10/950255810.db2.gz JFLDWOPEDPOKFP-KBPBESRZSA-N 0 1 383.460 1.084 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(F)nc1 ZINC001574157895 950259087 /nfs/dbraw/zinc/25/90/87/950259087.db2.gz KUQVHLCMVZWDJI-CYBMUJFWSA-N 0 1 384.419 1.474 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCCO1 ZINC001574158011 950268972 /nfs/dbraw/zinc/26/89/72/950268972.db2.gz MWSUJYUUCSIIMZ-HUUCEWRRSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576193361 950297945 /nfs/dbraw/zinc/29/79/45/950297945.db2.gz TZVUTBIXCPNPOI-DGCLKSJQSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576193361 950297961 /nfs/dbraw/zinc/29/79/61/950297961.db2.gz TZVUTBIXCPNPOI-DGCLKSJQSA-N 0 1 386.485 1.539 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCC[C@@H]2CCC(=O)[O-])CC1=O ZINC000263215860 950330760 /nfs/dbraw/zinc/33/07/60/950330760.db2.gz XLVSCSSJJQLWAF-BRWVUGGUSA-N 0 1 379.501 1.565 20 0 GDADMN C[C@@]1(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575596494 950375827 /nfs/dbraw/zinc/37/58/27/950375827.db2.gz SVNSZSARJPUZOM-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575596494 950375848 /nfs/dbraw/zinc/37/58/48/950375848.db2.gz SVNSZSARJPUZOM-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575596494 950375870 /nfs/dbraw/zinc/37/58/70/950375870.db2.gz SVNSZSARJPUZOM-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575596494 950375895 /nfs/dbraw/zinc/37/58/95/950375895.db2.gz SVNSZSARJPUZOM-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCCN1C ZINC001574162114 950376897 /nfs/dbraw/zinc/37/68/97/950376897.db2.gz ZFONKRPWSZHFSR-HOCLYGCPSA-N 0 1 386.504 1.689 20 0 GDADMN C[C@]1(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575596493 950379287 /nfs/dbraw/zinc/37/92/87/950379287.db2.gz SVNSZSARJPUZOM-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575596493 950379306 /nfs/dbraw/zinc/37/93/06/950379306.db2.gz SVNSZSARJPUZOM-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575596493 950379328 /nfs/dbraw/zinc/37/93/28/950379328.db2.gz SVNSZSARJPUZOM-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575596493 950379351 /nfs/dbraw/zinc/37/93/51/950379351.db2.gz SVNSZSARJPUZOM-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)CCNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001576196933 950380909 /nfs/dbraw/zinc/38/09/09/950380909.db2.gz JLXJUAPGBNHMCV-SECBINFHSA-N 0 1 384.897 1.189 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001576196933 950380931 /nfs/dbraw/zinc/38/09/31/950380931.db2.gz JLXJUAPGBNHMCV-SECBINFHSA-N 0 1 384.897 1.189 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cc(-c4nn[nH]n4)ccn3)C[C@]2(C)C1 ZINC001573856784 950396464 /nfs/dbraw/zinc/39/64/64/950396464.db2.gz IRXBAXSVHXJJCO-IFXJQAMLSA-N 0 1 385.472 1.951 20 0 GDADMN CC1(C(=O)NCc2ccc(CNc3ccnc(-c4nn[nH]n4)n3)cc2)CCC1 ZINC001575598987 950423200 /nfs/dbraw/zinc/42/32/00/950423200.db2.gz AFUSYFOYIGKKGA-UHFFFAOYSA-N 0 1 378.440 1.497 20 0 GDADMN CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575597876 950424151 /nfs/dbraw/zinc/42/41/51/950424151.db2.gz YPFWRUUJBBVELB-BETUJISGSA-N 0 1 390.513 1.729 20 0 GDADMN CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575597876 950424163 /nfs/dbraw/zinc/42/41/63/950424163.db2.gz YPFWRUUJBBVELB-BETUJISGSA-N 0 1 390.513 1.729 20 0 GDADMN CC1CC[NH+](CC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001576199485 950426039 /nfs/dbraw/zinc/42/60/39/950426039.db2.gz ZJENBRJBFNMSIL-OAHLLOKOSA-N 0 1 384.488 1.254 20 0 GDADMN CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2c[nH]nc2-c2nn[nH]n2)cs1 ZINC001573860959 950433274 /nfs/dbraw/zinc/43/32/74/950433274.db2.gz NSWJCXBKPZKAKT-UHFFFAOYSA-N 0 1 391.417 1.323 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575608129 950513242 /nfs/dbraw/zinc/51/32/42/950513242.db2.gz NAOUBUSBMZAOIF-XYPYZODXSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(C2CC2)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753753 950542386 /nfs/dbraw/zinc/54/23/86/950542386.db2.gz RIAQHOVMCMTBLI-GFCCVEGCSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575918161 950588046 /nfs/dbraw/zinc/58/80/46/950588046.db2.gz AUHXRPVEKIMXIV-CMPLNLGQSA-N 0 1 392.414 1.305 20 0 GDADMN CC1CCN(CC(=O)NC[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576206963 950589843 /nfs/dbraw/zinc/58/98/43/950589843.db2.gz ZWTGEZSLDXYITE-MRXNPFEDSA-N 0 1 384.488 1.079 20 0 GDADMN CC1CCN(CC(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576208237 950605442 /nfs/dbraw/zinc/60/54/42/950605442.db2.gz NTOOWXRDWPMXNN-FZNQNYSPSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)C(F)(F)F ZINC001574515203 950622962 /nfs/dbraw/zinc/62/29/62/950622962.db2.gz BYIYBIXDAWVUPW-HJUHTLPRSA-N 0 1 381.362 1.401 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573872088 950630144 /nfs/dbraw/zinc/63/01/44/950630144.db2.gz YXDZQJWDMOCUSE-HNNXBMFYSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(C)OCC(=O)NCCN(Cc1cc(F)ccc1-c1nn[nH]n1)C1CC1 ZINC001573871959 950633146 /nfs/dbraw/zinc/63/31/46/950633146.db2.gz YATATENKZZZKSH-UHFFFAOYSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575001460 950633288 /nfs/dbraw/zinc/63/32/88/950633288.db2.gz KVDGACXFFNQKPL-GFCCVEGCSA-N 0 1 380.456 1.369 20 0 GDADMN CC1(C)CC(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)C1 ZINC001575624645 950671250 /nfs/dbraw/zinc/67/12/50/950671250.db2.gz LRCNCKUNJXPPIZ-IBGZPJMESA-N 0 1 382.472 1.522 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1=O ZINC001589744867 950673825 /nfs/dbraw/zinc/67/38/25/950673825.db2.gz IECIYGFMHKHROZ-OCCSQVGLSA-N 0 1 375.425 1.362 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573877473 950692266 /nfs/dbraw/zinc/69/22/66/950692266.db2.gz BQDVLBCCGVQWGO-BFHYXJOUSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccccc1 ZINC001574519763 950693606 /nfs/dbraw/zinc/69/36/06/950693606.db2.gz YNMXWBUBRHKOQA-CTNYNGJSSA-N 0 1 390.451 1.401 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575926359 950711373 /nfs/dbraw/zinc/71/13/73/950711373.db2.gz JLRTWDHUGCYSKH-TVQRCGJNSA-N 0 1 386.366 1.072 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2ccccc2)o1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575006967 950728313 /nfs/dbraw/zinc/72/83/13/950728313.db2.gz ZFRNEJLVRMYACE-LBPRGKRZSA-N 0 1 390.407 1.569 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576216594 950737679 /nfs/dbraw/zinc/73/76/79/950737679.db2.gz DUJHHFMTJYFYMD-CJNGLKHVSA-N 0 1 384.488 1.395 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C23CCC3)C1 ZINC001575629566 950740908 /nfs/dbraw/zinc/74/09/08/950740908.db2.gz PLHJGLICJKMQQK-HZPDHXFCSA-N 0 1 381.484 1.959 20 0 GDADMN C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001574520763 950745914 /nfs/dbraw/zinc/74/59/14/950745914.db2.gz YJBFVGVNXUNXLA-SNVBAGLBSA-N 0 1 377.451 1.868 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574764669 950755925 /nfs/dbraw/zinc/75/59/25/950755925.db2.gz VWMRBKKEOAUWCC-NSHDSACASA-N 0 1 392.464 1.345 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnn(CCF)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574764669 950755941 /nfs/dbraw/zinc/75/59/41/950755941.db2.gz VWMRBKKEOAUWCC-NSHDSACASA-N 0 1 392.464 1.345 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001575927763 950757299 /nfs/dbraw/zinc/75/72/99/950757299.db2.gz UBENQMPKKWEMPN-CZUORRHYSA-N 0 1 378.440 1.113 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575927819 950759042 /nfs/dbraw/zinc/75/90/42/950759042.db2.gz VBPBUPZNWISZJM-MLGOLLRUSA-N 0 1 390.451 1.671 20 0 GDADMN C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccncc1-c1nn[nH]n1 ZINC001574764799 950759809 /nfs/dbraw/zinc/75/98/09/950759809.db2.gz YRQOYOSVWIYKQE-SNVBAGLBSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccccc1F ZINC001575927857 950761070 /nfs/dbraw/zinc/76/10/70/950761070.db2.gz VIMHPAWLESYIDI-BLLLJJGKSA-N 0 1 381.415 1.467 20 0 GDADMN CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574764779 950761652 /nfs/dbraw/zinc/76/16/52/950761652.db2.gz YDHJUKGLHUINHA-LBPRGKRZSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574765440 950788822 /nfs/dbraw/zinc/78/88/22/950788822.db2.gz CIFREHIQBVWUKX-SNVBAGLBSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)Cc1ccn[nH]1 ZINC001575930192 950792389 /nfs/dbraw/zinc/79/23/89/950792389.db2.gz DVAMDEBWEIFWEU-ZANVPECISA-N 0 1 387.835 1.282 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ncccn1 ZINC001575931098 950803325 /nfs/dbraw/zinc/80/33/25/950803325.db2.gz GTZMIBQFBAJFMP-SFYZADRCSA-N 0 1 391.848 1.482 20 0 GDADMN CC1(C)CC(CC(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575632818 950807116 /nfs/dbraw/zinc/80/71/16/950807116.db2.gz NSQHXNXUQIFGRZ-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccon1 ZINC001575935781 950891065 /nfs/dbraw/zinc/89/10/65/950891065.db2.gz YRWTUKRAXGQALL-BQBZGAKWSA-N 0 1 380.821 1.680 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527704 950901310 /nfs/dbraw/zinc/90/13/10/950901310.db2.gz GCEADXDKOMGEAC-GHMZBOCLSA-N 0 1 387.469 1.716 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527704 950901327 /nfs/dbraw/zinc/90/13/27/950901327.db2.gz GCEADXDKOMGEAC-GHMZBOCLSA-N 0 1 387.469 1.716 20 0 GDADMN O=C([O-])CC1(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC001594974193 950902261 /nfs/dbraw/zinc/90/22/61/950902261.db2.gz LULQBUMNJBLRGC-FQEVSTJZSA-N 0 1 376.453 1.011 20 0 GDADMN CC(C)CCCC(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574189942 950903945 /nfs/dbraw/zinc/90/39/45/950903945.db2.gz TUFWNOVEABHVES-VIFPVBQESA-N 0 1 387.897 1.692 20 0 GDADMN CC(C)c1cnc(CN[C@@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001574527902 950915870 /nfs/dbraw/zinc/91/58/70/950915870.db2.gz IJNVXJJEBUYDJT-RYUDHWBXSA-N 0 1 386.460 1.993 20 0 GDADMN CC(C)(C)n1cc(C(=O)C(=O)Nc2nc3cc(-c4nn[nH]n4)ccc3[nH]2)cn1 ZINC001573894030 950919202 /nfs/dbraw/zinc/91/92/02/950919202.db2.gz JIJPYUXUZGLWGB-UHFFFAOYSA-N 0 1 379.384 1.516 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001575017138 950975799 /nfs/dbraw/zinc/97/57/99/950975799.db2.gz AOXNEMVDXQZNBS-LBPRGKRZSA-N 0 1 381.444 1.075 20 0 GDADMN C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576229865 950984537 /nfs/dbraw/zinc/98/45/37/950984537.db2.gz OMZKMJJNKCVCKX-CZUORRHYSA-N 0 1 381.484 1.913 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N(C)CCN(C)Cc2cc(F)ccc2-c2nn[nH]n2)CCO1 ZINC001575938938 950995075 /nfs/dbraw/zinc/99/50/75/950995075.db2.gz NTRMTJUYAQUVDP-ZIAGYGMSSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@H]1C[C@@H](C(=O)N(C)CCN(C)Cc2cc(F)ccc2-c2nn[nH]n2)CCO1 ZINC001575938931 950996490 /nfs/dbraw/zinc/99/64/90/950996490.db2.gz NTRMTJUYAQUVDP-KBPBESRZSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576230288 950999766 /nfs/dbraw/zinc/99/97/66/950999766.db2.gz ANKRLIGRIWOUQY-HOCLYGCPSA-N 0 1 392.467 1.274 20 0 GDADMN C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CO1 ZINC001575939084 951001230 /nfs/dbraw/zinc/00/12/30/951001230.db2.gz OUIREGFGGYLZJL-STQMWFEESA-N 0 1 392.529 1.927 20 0 GDADMN C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CO1 ZINC001575939084 951001254 /nfs/dbraw/zinc/00/12/54/951001254.db2.gz OUIREGFGGYLZJL-STQMWFEESA-N 0 1 392.529 1.927 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575019918 951046447 /nfs/dbraw/zinc/04/64/47/951046447.db2.gz WYMTYFZBIQRKIT-NSHDSACASA-N 0 1 381.444 1.002 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001575023305 951078226 /nfs/dbraw/zinc/07/82/26/951078226.db2.gz MNGGBDJFBFJZRB-VIFPVBQESA-N 0 1 375.795 1.707 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575023877 951086102 /nfs/dbraw/zinc/08/61/02/951086102.db2.gz RHTMDZRSPGPSHX-VIFPVBQESA-N 0 1 377.861 1.885 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575023877 951086110 /nfs/dbraw/zinc/08/61/10/951086110.db2.gz RHTMDZRSPGPSHX-VIFPVBQESA-N 0 1 377.861 1.885 20 0 GDADMN C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027649 951163352 /nfs/dbraw/zinc/16/33/52/951163352.db2.gz HLDGBDCNBYHPBD-MRVPVSSYSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575028617 951178233 /nfs/dbraw/zinc/17/82/33/951178233.db2.gz OSXSTOKTLDCCON-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1CCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575029005 951179975 /nfs/dbraw/zinc/17/99/75/951179975.db2.gz RAPVKGVBZUQZCM-LBPRGKRZSA-N 0 1 378.440 1.400 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575029939 951190892 /nfs/dbraw/zinc/19/08/92/951190892.db2.gz YVIZGUSVDQYDEU-LLVKDONJSA-N 0 1 384.465 1.771 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575029939 951190897 /nfs/dbraw/zinc/19/08/97/951190897.db2.gz YVIZGUSVDQYDEU-LLVKDONJSA-N 0 1 384.465 1.771 20 0 GDADMN C[C@H](CNC(=O)c1ccncc1Cl)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575034446 951246978 /nfs/dbraw/zinc/24/69/78/951246978.db2.gz NDMUGIGUXWFVDI-SNVBAGLBSA-N 0 1 389.822 1.962 20 0 GDADMN O=C([O-])C1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000389999645 951367189 /nfs/dbraw/zinc/36/71/89/951367189.db2.gz PGLWKWRUAXGINT-SFHVURJKSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C2CC2)o1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575044044 951408393 /nfs/dbraw/zinc/40/83/93/951408393.db2.gz OEIZBSNDEMGCQQ-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNC(=O)c1cnc(C2CC2)o1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575044046 951408958 /nfs/dbraw/zinc/40/89/58/951408958.db2.gz OEIZBSNDEMGCQQ-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575056365 951517837 /nfs/dbraw/zinc/51/78/37/951517837.db2.gz IDFLJRNNRZURNS-QMMMGPOBSA-N 0 1 378.343 1.087 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575067856 951623039 /nfs/dbraw/zinc/62/30/39/951623039.db2.gz PSTKPQROWIZOLA-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN C[C@H](CNC(=O)c1ncccc1F)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575067879 951625267 /nfs/dbraw/zinc/62/52/67/951625267.db2.gz QFNQRPHWMKJVLY-ZCFIWIBFSA-N 0 1 382.812 1.741 20 0 GDADMN C[C@H](CNC(=O)c1ncccn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575067914 951626185 /nfs/dbraw/zinc/62/61/85/951626185.db2.gz RTHRTBBBBJULDW-SSDOTTSWSA-N 0 1 379.837 1.245 20 0 GDADMN O=C([O-])CN1CC[C@@H]([NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)C1=O ZINC001595074208 951627287 /nfs/dbraw/zinc/62/72/87/951627287.db2.gz NYAZNUIITFVSQV-CQSZACIVSA-N 0 1 386.370 1.674 20 0 GDADMN C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001575071034 951656474 /nfs/dbraw/zinc/65/64/74/951656474.db2.gz XJFSUIODTBZUBM-SNVBAGLBSA-N 0 1 386.485 1.668 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1n[nH]cc1F ZINC001575088755 951742473 /nfs/dbraw/zinc/74/24/73/951742473.db2.gz CHUAYSJTXASULO-SECBINFHSA-N 0 1 376.371 1.118 20 0 GDADMN C[C@@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099363 951831629 /nfs/dbraw/zinc/83/16/29/951831629.db2.gz KPQUCIHXVWFYPO-OLZOCXBDSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)CC[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099363 951831640 /nfs/dbraw/zinc/83/16/40/951831640.db2.gz KPQUCIHXVWFYPO-OLZOCXBDSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099604 951836793 /nfs/dbraw/zinc/83/67/93/951836793.db2.gz NTQPFFPNYHXDAX-LBPRGKRZSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099604 951836800 /nfs/dbraw/zinc/83/68/00/951836800.db2.gz NTQPFFPNYHXDAX-LBPRGKRZSA-N 0 1 378.502 1.729 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001575100096 951842806 /nfs/dbraw/zinc/84/28/06/951842806.db2.gz QQQBCSIQCKNNOR-GFCCVEGCSA-N 0 1 388.501 1.861 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001575100096 951842815 /nfs/dbraw/zinc/84/28/15/951842815.db2.gz QQQBCSIQCKNNOR-GFCCVEGCSA-N 0 1 388.501 1.861 20 0 GDADMN C[C@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100905 951848949 /nfs/dbraw/zinc/84/89/49/951848949.db2.gz WNWJZAKGCSAUAB-JTQLQIEISA-N 0 1 377.499 1.469 20 0 GDADMN C[C@H](CNC(=O)Cc1cncs1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100905 951848955 /nfs/dbraw/zinc/84/89/55/951848955.db2.gz WNWJZAKGCSAUAB-JTQLQIEISA-N 0 1 377.499 1.469 20 0 GDADMN C[C@@H](CNCc1noc2c1CCCC2)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575117404 951979298 /nfs/dbraw/zinc/97/92/98/951979298.db2.gz NOXHYIUCQVLASI-NSHDSACASA-N 0 1 384.444 1.217 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575127599 952058971 /nfs/dbraw/zinc/05/89/71/952058971.db2.gz YUQSDTQWIRPDEV-YOEHRIQHSA-N 0 1 386.504 1.783 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575127599 952058977 /nfs/dbraw/zinc/05/89/77/952058977.db2.gz YUQSDTQWIRPDEV-YOEHRIQHSA-N 0 1 386.504 1.783 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575139840 952141941 /nfs/dbraw/zinc/14/19/41/952141941.db2.gz CLNWQBPGWABKER-GOSISDBHSA-N 0 1 382.428 1.001 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575140767 952143693 /nfs/dbraw/zinc/14/36/93/952143693.db2.gz GGSYRSLAWNYVLB-VIFPVBQESA-N 0 1 386.382 1.316 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575142081 952145566 /nfs/dbraw/zinc/14/55/66/952145566.db2.gz IJFHEJFTPLOZHH-AWEZNQCLSA-N 0 1 392.467 1.360 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC001575144666 952168903 /nfs/dbraw/zinc/16/89/03/952168903.db2.gz XDGAQRMDKNOOPV-XJKSGUPXSA-N 0 1 392.467 1.458 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCc1ccccc1F ZINC001575147404 952199601 /nfs/dbraw/zinc/19/96/01/952199601.db2.gz SLYCCLVSQMZDDA-CYBMUJFWSA-N 0 1 383.431 1.714 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccnn1C ZINC001575165315 952306857 /nfs/dbraw/zinc/30/68/57/952306857.db2.gz NISHOFTXAHEBFP-ZETCQYMHSA-N 0 1 381.853 1.283 20 0 GDADMN C[C@@H](CS(=O)(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001575175386 952385084 /nfs/dbraw/zinc/38/50/84/952385084.db2.gz CVYXVQPAXKSVTA-AWEZNQCLSA-N 0 1 392.529 1.606 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575190492 952463237 /nfs/dbraw/zinc/46/32/37/952463237.db2.gz SXRAWMGSRIJOJF-NWDGAFQWSA-N 0 1 384.419 1.013 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575196878 952478276 /nfs/dbraw/zinc/47/82/76/952478276.db2.gz KPNJWOFFKWBWOA-AWEZNQCLSA-N 0 1 380.452 1.887 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2ncccc2-c2nn[nH]n2)CCC1 ZINC001575199289 952488437 /nfs/dbraw/zinc/48/84/37/952488437.db2.gz BOYZHOYOAIGQKR-GFCCVEGCSA-N 0 1 381.444 1.314 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575200046 952492652 /nfs/dbraw/zinc/49/26/52/952492652.db2.gz HAVKWVMXCDOWET-IJLUTSLNSA-N 0 1 384.419 1.667 20 0 GDADMN O=C(c1cscn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571120793 952509199 /nfs/dbraw/zinc/50/91/99/952509199.db2.gz QDKUYRUAUDTMGG-SNVBAGLBSA-N 0 1 375.483 1.779 20 0 GDADMN O=C(c1cscn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571120793 952509204 /nfs/dbraw/zinc/50/92/04/952509204.db2.gz QDKUYRUAUDTMGG-SNVBAGLBSA-N 0 1 375.483 1.779 20 0 GDADMN C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001575203026 952517845 /nfs/dbraw/zinc/51/78/45/952517845.db2.gz YREIEPANLCSFOQ-UWVGGRQHSA-N 0 1 389.851 1.434 20 0 GDADMN C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001575203025 952518618 /nfs/dbraw/zinc/51/86/18/952518618.db2.gz YREIEPANLCSFOQ-NXEZZACHSA-N 0 1 389.851 1.434 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123741 952531696 /nfs/dbraw/zinc/53/16/96/952531696.db2.gz VSANNKJNAXRDCI-NEPJUHHUSA-N 0 1 376.486 1.312 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)CC1(O)CCC1 ZINC001571123741 952531699 /nfs/dbraw/zinc/53/16/99/952531699.db2.gz VSANNKJNAXRDCI-NEPJUHHUSA-N 0 1 376.486 1.312 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001571124258 952535880 /nfs/dbraw/zinc/53/58/80/952535880.db2.gz CVPUKYKSXOYGMQ-QWRGUYRKSA-N 0 1 377.399 1.378 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)CC3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124653 952542791 /nfs/dbraw/zinc/54/27/91/952542791.db2.gz QIKABYTTXPNVJZ-LBPRGKRZSA-N 0 1 377.399 1.700 20 0 GDADMN CC(F)(F)C(=O)NC[C@@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575211169 952544567 /nfs/dbraw/zinc/54/45/67/952544567.db2.gz OMCXNJRINRIOCG-NSHDSACASA-N 0 1 382.390 1.989 20 0 GDADMN O=C(N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCC(F)(F)C1 ZINC001571124854 952545416 /nfs/dbraw/zinc/54/54/16/952545416.db2.gz WMGVVOOYZZWUGM-SRVKXCTJSA-N 0 1 377.399 1.426 20 0 GDADMN O=C(CCc1ccccc1)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571127375 952553797 /nfs/dbraw/zinc/55/37/97/952553797.db2.gz FQVISKYURQYJIG-MRXNPFEDSA-N 0 1 377.452 1.577 20 0 GDADMN Cc1ncc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC001571133978 952584177 /nfs/dbraw/zinc/58/41/77/952584177.db2.gz ALENTVFJEDUPLK-INIZCTEOSA-N 0 1 378.440 1.278 20 0 GDADMN CN(C)c1ccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571134428 952590797 /nfs/dbraw/zinc/59/07/97/952590797.db2.gz GDKWSFOLWMTSJD-AWEZNQCLSA-N 0 1 378.440 1.076 20 0 GDADMN CC(C)c1ccccc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571134629 952592719 /nfs/dbraw/zinc/59/27/19/952592719.db2.gz ISIUBCLHPCVJKL-JOCQHMNTSA-N 0 1 378.440 1.575 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H](C)C2)c1 ZINC001571135405 952603944 /nfs/dbraw/zinc/60/39/44/952603944.db2.gz WWIWMTIOUVJILE-CJNGLKHVSA-N 0 1 378.440 1.350 20 0 GDADMN COc1ccccc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571136798 952616444 /nfs/dbraw/zinc/61/64/44/952616444.db2.gz WHFBFHBEWVLSQK-MRXNPFEDSA-N 0 1 378.436 1.880 20 0 GDADMN O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1ncccc1[O-] ZINC001571140385 952625446 /nfs/dbraw/zinc/62/54/46/952625446.db2.gz BXQPETJDBZRTBH-HNNXBMFYSA-N 0 1 379.424 1.362 20 0 GDADMN O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1ncccc1[O-] ZINC001571140385 952625448 /nfs/dbraw/zinc/62/54/48/952625448.db2.gz BXQPETJDBZRTBH-HNNXBMFYSA-N 0 1 379.424 1.362 20 0 GDADMN Cc1ccc([C@H](C)C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)o1 ZINC001571141229 952631400 /nfs/dbraw/zinc/63/14/00/952631400.db2.gz IRMPJJDKKLITEI-HVOFVXBASA-N 0 1 379.424 1.518 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571141227 952631439 /nfs/dbraw/zinc/63/14/39/952631439.db2.gz WMUQRHRKVRXOKE-OLUVUFQESA-N 0 1 379.415 1.542 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571142299 952639637 /nfs/dbraw/zinc/63/96/37/952639637.db2.gz OOFMTPORKBMWDZ-GXTWGEPZSA-N 0 1 378.502 1.824 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571142299 952639641 /nfs/dbraw/zinc/63/96/41/952639641.db2.gz OOFMTPORKBMWDZ-GXTWGEPZSA-N 0 1 378.502 1.824 20 0 GDADMN O=C(c1cc[nH]c1)N1CCC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571142314 952640036 /nfs/dbraw/zinc/64/00/36/952640036.db2.gz OVODWEGQQZHAMX-LJQANCHMSA-N 0 1 378.440 1.723 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cn2c(n1)CCC2 ZINC001571142494 952642956 /nfs/dbraw/zinc/64/29/56/952642956.db2.gz RYLCQJOAAVJKEW-OAHLLOKOSA-N 0 1 378.440 1.014 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001571155552 952698743 /nfs/dbraw/zinc/69/87/43/952698743.db2.gz WLQKQAYVZCQTDM-GHMZBOCLSA-N 0 1 380.403 1.375 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)c3cncnc3)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156038 952700867 /nfs/dbraw/zinc/70/08/67/952700867.db2.gz BIXQAKNQCAVSPY-HNNXBMFYSA-N 0 1 379.428 1.005 20 0 GDADMN Cc1cnc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C)c1 ZINC001571156009 952701224 /nfs/dbraw/zinc/70/12/24/952701224.db2.gz ASSCYSMFWMHUSX-CYBMUJFWSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1cc(N2C[C@@H](NC(=O)c3cnccn3)CC[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156586 952702547 /nfs/dbraw/zinc/70/25/47/952702547.db2.gz DLTRFMVEHNBCNF-STQMWFEESA-N 0 1 379.428 1.147 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571159487 952719588 /nfs/dbraw/zinc/71/95/88/952719588.db2.gz WGXRGNFLGLVPCY-GXTWGEPZSA-N 0 1 380.412 1.299 20 0 GDADMN Cc1ncoc1C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571159468 952720005 /nfs/dbraw/zinc/72/00/05/952720005.db2.gz VOLOTHMLHUHFKG-BETUJISGSA-N 0 1 380.412 1.075 20 0 GDADMN O=C(NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ocnc1C1CC1 ZINC001571160230 952723765 /nfs/dbraw/zinc/72/37/65/952723765.db2.gz FGVYQVRBXLKBNO-LLVKDONJSA-N 0 1 380.412 1.383 20 0 GDADMN CCc1[nH]ccc1C(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571167222 952771278 /nfs/dbraw/zinc/77/12/78/952771278.db2.gz YUNJFEXCSWHGDI-ZDUSSCGKSA-N 0 1 380.456 1.859 20 0 GDADMN Cc1c[nH]nc1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571169474 952773332 /nfs/dbraw/zinc/77/33/32/952773332.db2.gz DQZDJVPTLCJIQF-HNNXBMFYSA-N 0 1 380.456 1.683 20 0 GDADMN CCn1cccc1C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571169620 952776418 /nfs/dbraw/zinc/77/64/18/952776418.db2.gz IHOFHGJOJVZCNZ-UHFFFAOYSA-N 0 1 380.456 1.872 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571169720 952778241 /nfs/dbraw/zinc/77/82/41/952778241.db2.gz LEQIUSKPAVIZIC-ZIAGYGMSSA-N 0 1 380.456 1.232 20 0 GDADMN Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]1 ZINC001571169732 952778655 /nfs/dbraw/zinc/77/86/55/952778655.db2.gz LJSYPAZGCACRQF-CQSZACIVSA-N 0 1 380.456 1.914 20 0 GDADMN CCn1cccc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571169929 952780190 /nfs/dbraw/zinc/78/01/90/952780190.db2.gz QXHRVVABOACJTK-ZFWWWQNUSA-N 0 1 380.456 1.529 20 0 GDADMN Cc1ccn(C)c1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571170886 952789352 /nfs/dbraw/zinc/78/93/52/952789352.db2.gz YPUYMFRXANWLDR-ZIAGYGMSSA-N 0 1 380.456 1.436 20 0 GDADMN CCn1nccc1C(=O)N(C)[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571170934 952790445 /nfs/dbraw/zinc/79/04/45/952790445.db2.gz ZWRJLIYBJFYNAB-MRXNPFEDSA-N 0 1 380.456 1.430 20 0 GDADMN Cc1cc(NC[C@H]2CCCCN2C(=O)c2ccn(C)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571170912 952790913 /nfs/dbraw/zinc/79/09/13/952790913.db2.gz ZGRQRVLQAKAOPP-OAHLLOKOSA-N 0 1 380.456 1.437 20 0 GDADMN Cc1ncccc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC001571172074 952801758 /nfs/dbraw/zinc/80/17/58/952801758.db2.gz LONUUCBYVOJIII-LRDDRELGSA-N 0 1 380.456 1.681 20 0 GDADMN Cc1cccc(F)c1C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571178481 952841681 /nfs/dbraw/zinc/84/16/81/952841681.db2.gz KEFZOLBQOBUFNT-LRDDRELGSA-N 0 1 381.415 1.704 20 0 GDADMN Cc1ccoc1CC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571179563 952854310 /nfs/dbraw/zinc/85/43/10/952854310.db2.gz FRABIHQNPYOTRP-UHFFFAOYSA-N 0 1 381.440 1.539 20 0 GDADMN Cc1cc(N2CCN(C(=O)[C@@H](C)Cc3ccco3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179649 952856817 /nfs/dbraw/zinc/85/68/17/952856817.db2.gz HZJXTYDMQRAVGP-ZDUSSCGKSA-N 0 1 381.440 1.691 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001571182692 952867527 /nfs/dbraw/zinc/86/75/27/952867527.db2.gz BRBBCUJYEYCSQS-OAHLLOKOSA-N 0 1 381.440 1.598 20 0 GDADMN COc1cccc(CN2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1C ZINC001571183231 952875645 /nfs/dbraw/zinc/87/56/45/952875645.db2.gz TZYHEQFRVHTLAD-UHFFFAOYSA-N 0 1 381.440 1.374 20 0 GDADMN CCc1nc(C(=O)N[C@H](C)C2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571183414 952877807 /nfs/dbraw/zinc/87/78/07/952877807.db2.gz ZTPHMISGXNNQBN-GFCCVEGCSA-N 0 1 381.440 1.667 20 0 GDADMN CCCn1nccc1C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571183807 952883566 /nfs/dbraw/zinc/88/35/66/952883566.db2.gz JWHXCQNLQZLZSO-CHWSQXEVSA-N 0 1 381.444 1.005 20 0 GDADMN CC[C@H]1CN(C(=O)c2cc[nH]c2C)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571184021 952886679 /nfs/dbraw/zinc/88/66/79/952886679.db2.gz OOQWVJSHZHZYAM-GXTWGEPZSA-N 0 1 381.444 1.068 20 0 GDADMN CCn1cc(C(=O)N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)c(C)n1 ZINC001571186800 952909412 /nfs/dbraw/zinc/90/94/12/952909412.db2.gz ZUTRHRSKEDSZLI-UHFFFAOYSA-N 0 1 381.444 1.057 20 0 GDADMN Cc1cc(CNC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)ncn1 ZINC001571188901 952921904 /nfs/dbraw/zinc/92/19/04/952921904.db2.gz PDJZNIBCPNBJKD-OAHLLOKOSA-N 0 1 381.444 1.078 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)c2cncc(F)c2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571195541 952976963 /nfs/dbraw/zinc/97/69/63/952976963.db2.gz BFLVZUDFPJDLGB-LBPRGKRZSA-N 0 1 382.403 1.394 20 0 GDADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001571195698 952977973 /nfs/dbraw/zinc/97/79/73/952977973.db2.gz DQUPWOCYMPHHSI-NWDGAFQWSA-N 0 1 382.403 1.180 20 0 GDADMN Cc1cccc(F)c1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571197391 952990233 /nfs/dbraw/zinc/99/02/33/952990233.db2.gz YYJRXNBLUPUJAZ-GFCCVEGCSA-N 0 1 382.403 1.455 20 0 GDADMN CCc1ncoc1C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571199170 952996038 /nfs/dbraw/zinc/99/60/38/952996038.db2.gz MSLYKGIUDLGKLY-GFCCVEGCSA-N 0 1 382.428 1.198 20 0 GDADMN CCc1cc(C(=O)N2C[C@H](C)[C@H](CNc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571199701 953003406 /nfs/dbraw/zinc/00/34/06/953003406.db2.gz ZRSVZFKKBQZBKD-NWDGAFQWSA-N 0 1 382.428 1.054 20 0 GDADMN Cc1nc(C(=O)N[C@H](C)C2CCN(c3ccncc3-c3nn[nH]n3)CC2)co1 ZINC001571200768 953012342 /nfs/dbraw/zinc/01/23/42/953012342.db2.gz FZZVMQLUSBQBEN-LLVKDONJSA-N 0 1 382.428 1.593 20 0 GDADMN Cc1ccoc1C(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571200888 953013279 /nfs/dbraw/zinc/01/32/79/953013279.db2.gz HNLVFHWTWPUEEU-QWHCGFSZSA-N 0 1 382.428 1.475 20 0 GDADMN COc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)o1 ZINC001571202460 953025655 /nfs/dbraw/zinc/02/56/55/953025655.db2.gz XOIWRWZKDAITJC-DOMZBBRYSA-N 0 1 382.424 1.861 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3conc3C(C)C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202632 953028394 /nfs/dbraw/zinc/02/83/94/953028394.db2.gz WQXFODGAZZOCTP-LBPRGKRZSA-N 0 1 382.428 1.690 20 0 GDADMN Cc1nocc1CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571205744 953041083 /nfs/dbraw/zinc/04/10/83/953041083.db2.gz LHRCQVJLTMEXAD-HOTGVXAUSA-N 0 1 382.428 1.370 20 0 GDADMN O=C(c1ccon1)N1C[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]2C1 ZINC001571217578 953109194 /nfs/dbraw/zinc/10/91/94/953109194.db2.gz NZKIOHMBYJWVOH-OKILXGFUSA-N 0 1 383.387 1.198 20 0 GDADMN O=C(N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C12CCC(CC1)C2 ZINC001571217645 953110204 /nfs/dbraw/zinc/11/02/04/953110204.db2.gz GRXHBORCUIEZBY-BIWSTMPVSA-N 0 1 382.472 1.309 20 0 GDADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cocc1C ZINC001571218922 953120643 /nfs/dbraw/zinc/12/06/43/953120643.db2.gz HCSCJLGMXAVHDU-GDBMZVCRSA-N 0 1 383.412 1.105 20 0 GDADMN COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)o1 ZINC001571218978 953121668 /nfs/dbraw/zinc/12/16/68/953121668.db2.gz IOCJYFORFJVDTQ-ZIAGYGMSSA-N 0 1 383.412 1.438 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C1CC1)C1CC1 ZINC001571219062 953122812 /nfs/dbraw/zinc/12/28/12/953122812.db2.gz UDWYLDHTKQBSJT-CQSZACIVSA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)(CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[N@H+]1CCc2ccccc2C1 ZINC001602944224 971914761 /nfs/dbraw/zinc/91/47/61/971914761.db2.gz LLCJQYBVIFWHIB-KRWDZBQOSA-N 0 1 387.480 1.263 20 0 GDADMN Cc1cc(C(=O)N2CCCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC001571239621 953241331 /nfs/dbraw/zinc/24/13/31/953241331.db2.gz OAWOPPLMULQHMR-UHFFFAOYSA-N 0 1 384.419 1.385 20 0 GDADMN CC(C)n1cc(CNCc2cc(-c3nn[nH]n3)ccc2N(C)C)c(=O)[nH]c1=O ZINC001571243215 953264347 /nfs/dbraw/zinc/26/43/47/953264347.db2.gz ZPGIIYPAIIDMBW-UHFFFAOYSA-N 0 1 384.444 1.066 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)s1 ZINC001571244842 953267670 /nfs/dbraw/zinc/26/76/70/953267670.db2.gz KFAQSDLZLOBKQT-TXEJJXNPSA-N 0 1 384.469 1.438 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1CNC(=O)c1cnccn1 ZINC001571245262 953271670 /nfs/dbraw/zinc/27/16/70/953271670.db2.gz QTHAUUNURKZHMM-VXGBXAGGSA-N 0 1 384.469 1.216 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1CNC(=O)c1cnccn1 ZINC001571245262 953271673 /nfs/dbraw/zinc/27/16/73/953271673.db2.gz QTHAUUNURKZHMM-VXGBXAGGSA-N 0 1 384.469 1.216 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1CNC(=O)c1cnccn1 ZINC001571245262 953271675 /nfs/dbraw/zinc/27/16/75/953271675.db2.gz QTHAUUNURKZHMM-VXGBXAGGSA-N 0 1 384.469 1.216 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1CNC(=O)c1cnccn1 ZINC001571245262 953271677 /nfs/dbraw/zinc/27/16/77/953271677.db2.gz QTHAUUNURKZHMM-VXGBXAGGSA-N 0 1 384.469 1.216 20 0 GDADMN Cc1cc(N[C@@H]2CCCN(C(=O)Cc3cncs3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245806 953276572 /nfs/dbraw/zinc/27/65/72/953276572.db2.gz ZFJGAIQUQJJNIH-GFCCVEGCSA-N 0 1 384.469 1.094 20 0 GDADMN CC1(C)CN(C(=O)c2cnccn2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571245848 953278057 /nfs/dbraw/zinc/27/80/57/953278057.db2.gz MZXLIVANSBCNRX-CQSZACIVSA-N 0 1 384.469 1.359 20 0 GDADMN CC1(C)CN(C(=O)c2cnccn2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571245848 953278059 /nfs/dbraw/zinc/27/80/59/953278059.db2.gz MZXLIVANSBCNRX-CQSZACIVSA-N 0 1 384.469 1.359 20 0 GDADMN O=C(Cc1cscn1)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571247876 953287619 /nfs/dbraw/zinc/28/76/19/953287619.db2.gz GZHHQALHJDSBGQ-UHFFFAOYSA-N 0 1 384.469 1.033 20 0 GDADMN Cc1scc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571248132 953290108 /nfs/dbraw/zinc/29/01/08/953290108.db2.gz 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SQHTUTWRFNFBKN-FBVQUNGASA-N 0 1 393.532 1.471 20 0 GDADMN O=C(C[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000831480518 604233680 /nfs/dbraw/zinc/23/36/80/604233680.db2.gz ROPWIXVZXFHUTL-SFHVURJKSA-N 0 1 387.480 1.961 20 0 GDADMN COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[O-])C2)cc(OC)c1 ZINC000829115971 604243020 /nfs/dbraw/zinc/24/30/20/604243020.db2.gz RNRLFLSZNHXGFV-YOEHRIQHSA-N 0 1 377.441 1.537 20 0 GDADMN COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[O-])C2)cc(OC)c1 ZINC000829115971 604243021 /nfs/dbraw/zinc/24/30/21/604243021.db2.gz RNRLFLSZNHXGFV-YOEHRIQHSA-N 0 1 377.441 1.537 20 0 GDADMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000825254638 604253621 /nfs/dbraw/zinc/25/36/21/604253621.db2.gz NGUUXQBRVXWKBQ-SOUVJXGZSA-N 0 1 377.441 1.311 20 0 GDADMN CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000827298233 604255553 /nfs/dbraw/zinc/25/55/53/604255553.db2.gz MUNWWOPXWYSPCR-OFQRWUPVSA-N 0 1 383.489 1.545 20 0 GDADMN C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)CC2)CC1 ZINC000830946461 604267178 /nfs/dbraw/zinc/26/71/78/604267178.db2.gz NWPUPXVPPXIKPT-UHFFFAOYSA-N 0 1 391.443 1.540 20 0 GDADMN CC(=O)N1CCC[N@H+]([C@H]2CN(C(=O)c3ccc(CNC(=O)[O-])o3)C[C@@H]2C)CC1 ZINC000823556448 604312706 /nfs/dbraw/zinc/31/27/06/604312706.db2.gz NNXRNNKEYMRTHA-BBRMVZONSA-N 0 1 392.456 1.062 20 0 GDADMN C[C@H]1C[NH+](CCCCNS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000828451638 604358768 /nfs/dbraw/zinc/35/87/68/604358768.db2.gz VIGFEGROYIWSGA-GJZGRUSLSA-N 0 1 384.498 1.694 20 0 GDADMN O=C([O-])N[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000740594001 604373732 /nfs/dbraw/zinc/37/37/32/604373732.db2.gz KZHINYIYDFHRDX-CABCVRRESA-N 0 1 375.425 1.463 20 0 GDADMN O=C([O-])N[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000740594001 604373735 /nfs/dbraw/zinc/37/37/35/604373735.db2.gz KZHINYIYDFHRDX-CABCVRRESA-N 0 1 375.425 1.463 20 0 GDADMN O=C(CCc1nnc(C2CCCC2)o1)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000831441283 604432111 /nfs/dbraw/zinc/43/21/11/604432111.db2.gz KKTIJZOITNDGOS-UHFFFAOYSA-N 0 1 379.461 1.462 20 0 GDADMN O=C([O-])N1CC(NC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000831777997 604456196 /nfs/dbraw/zinc/45/61/96/604456196.db2.gz KAQXQJYUEHPAMY-UHFFFAOYSA-N 0 1 387.440 1.457 20 0 GDADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000833702629 604472484 /nfs/dbraw/zinc/47/24/84/604472484.db2.gz WQQHWJNCPGSQNO-ROUUACIJSA-N 0 1 376.453 1.786 20 0 GDADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000833700774 604475263 /nfs/dbraw/zinc/47/52/63/604475263.db2.gz FOLCOBCQCVUNDV-IRXDYDNUSA-N 0 1 389.452 1.013 20 0 GDADMN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000833701876 604476390 /nfs/dbraw/zinc/47/63/90/604476390.db2.gz OOIQIYVZFXSDGK-PMACEKPBSA-N 0 1 398.459 1.950 20 0 GDADMN O=C([O-])c1csc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 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/nfs/dbraw/zinc/77/46/64/606774664.db2.gz YJHRGNYGLOLQRM-NHYWBVRUSA-N 0 1 376.848 1.960 20 0 GDADMN COC(=O)[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C(C)(C)C ZINC000821640370 606835344 /nfs/dbraw/zinc/83/53/44/606835344.db2.gz HKWMYRAKCDVKRM-VIFPVBQESA-N 0 1 380.430 1.007 20 0 GDADMN O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573015 606887634 /nfs/dbraw/zinc/88/76/34/606887634.db2.gz QCJJMIXKKUQQMF-LLVKDONJSA-N 0 1 393.375 1.427 20 0 GDADMN O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCC[C@@H]1CN1CCCC1 ZINC000823594026 606889617 /nfs/dbraw/zinc/88/96/17/606889617.db2.gz ALRPUUHKVYYPFF-GFCCVEGCSA-N 0 1 398.439 1.394 20 0 GDADMN CC1(C)[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H]2CCO[C@@H]21 ZINC000820583045 606891496 /nfs/dbraw/zinc/89/14/96/606891496.db2.gz AZGQDTOVPBBELM-CKLFPEKLSA-N 0 1 385.396 1.237 20 0 GDADMN CCCc1nnc([C@@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000821142529 606904949 /nfs/dbraw/zinc/90/49/49/606904949.db2.gz JWZDPKWLVQINPQ-CABCVRRESA-N 0 1 384.444 1.044 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000821142529 606904950 /nfs/dbraw/zinc/90/49/50/606904950.db2.gz JWZDPKWLVQINPQ-CABCVRRESA-N 0 1 384.444 1.044 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](OCC(C)C)C2)cc1-c1nn[nH]n1 ZINC000821969697 607080786 /nfs/dbraw/zinc/08/07/86/607080786.db2.gz DPSGIFURGNJRHH-SNVBAGLBSA-N 0 1 378.458 1.576 20 0 GDADMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000821689482 607154368 /nfs/dbraw/zinc/15/43/68/607154368.db2.gz ACTOZHMJMVTVPR-CYBMUJFWSA-N 0 1 398.471 1.687 20 0 GDADMN COc1cc(NC(=O)CCn2cnc(-c3nn[nH]n3)n2)c(OC)cc1Cl ZINC000821720514 607160675 /nfs/dbraw/zinc/16/06/75/607160675.db2.gz UGLXIVAEJXOLPC-UHFFFAOYSA-N 0 1 378.780 1.158 20 0 GDADMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n[nH]1 ZINC000822200037 607184692 /nfs/dbraw/zinc/18/46/92/607184692.db2.gz RMKMHUNAVQSUBB-QMMMGPOBSA-N 0 1 388.819 1.238 20 0 GDADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc2)C1 ZINC000820710935 607207999 /nfs/dbraw/zinc/20/79/99/607207999.db2.gz TVXGVFKLXVNJFH-CYBMUJFWSA-N 0 1 381.444 1.329 20 0 GDADMN C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)C1 ZINC000820710935 607208000 /nfs/dbraw/zinc/20/80/00/607208000.db2.gz TVXGVFKLXVNJFH-CYBMUJFWSA-N 0 1 381.444 1.329 20 0 GDADMN C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)C1 ZINC000820710935 607208001 /nfs/dbraw/zinc/20/80/01/607208001.db2.gz TVXGVFKLXVNJFH-CYBMUJFWSA-N 0 1 381.444 1.329 20 0 GDADMN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000820703503 607208902 /nfs/dbraw/zinc/20/89/02/607208902.db2.gz GLQKWWMULIYMOW-LBPRGKRZSA-N 0 1 395.427 1.112 20 0 GDADMN CCC(=O)Nc1ccc(Cl)c(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000820837420 607209652 /nfs/dbraw/zinc/20/96/52/607209652.db2.gz IVDBEOUKHGERHB-UHFFFAOYSA-N 0 1 375.780 1.099 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000823123073 607209786 /nfs/dbraw/zinc/20/97/86/607209786.db2.gz MSNMHNBWAYDEAN-RNFRBKRXSA-N 0 1 398.271 1.048 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(Oc2ccccc2)cc1 ZINC000823131729 607213382 /nfs/dbraw/zinc/21/33/82/607213382.db2.gz MTHKUQNZMCYBCR-UHFFFAOYSA-N 0 1 376.380 1.567 20 0 GDADMN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820293555 607216417 /nfs/dbraw/zinc/21/64/17/607216417.db2.gz MQCKZXMLWPBAAO-SECBINFHSA-N 0 1 380.334 1.224 20 0 GDADMN Cc1cccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)c1C ZINC000822331929 607217670 /nfs/dbraw/zinc/21/76/70/607217670.db2.gz JOAHQUVVXWRIAE-UHFFFAOYSA-N 0 1 391.395 1.901 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000823136303 607218508 /nfs/dbraw/zinc/21/85/08/607218508.db2.gz USBNOBJQPVUTIY-VOTSOKGWSA-N 0 1 379.409 1.724 20 0 GDADMN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822207437 607223254 /nfs/dbraw/zinc/22/32/54/607223254.db2.gz WGOWOBGHIZNSPX-CYBMUJFWSA-N 0 1 381.444 1.784 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@]2(O)CCc3ccccc32)cc1-c1nn[nH]n1 ZINC000826229626 607781673 /nfs/dbraw/zinc/78/16/73/607781673.db2.gz LEYPVVJZEWTSKZ-GOSISDBHSA-N 0 1 398.448 1.253 20 0 GDADMN CCC[C@H](C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)[NH+](C)C ZINC000825225006 607792417 /nfs/dbraw/zinc/79/24/17/607792417.db2.gz JHUFJCVKBKZAFR-OAHLLOKOSA-N 0 1 375.452 1.385 20 0 GDADMN NC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)ccc21 ZINC000826392001 607809752 /nfs/dbraw/zinc/80/97/52/607809752.db2.gz KLRHMILOAQTJQK-UHFFFAOYSA-N 0 1 385.409 1.109 20 0 GDADMN COc1ccc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826202911 607814958 /nfs/dbraw/zinc/81/49/58/607814958.db2.gz SJDABTDZUZEAFU-UHFFFAOYSA-N 0 1 391.428 1.578 20 0 GDADMN Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2N1CCN([C@@H]2CCOC2)CC1 ZINC000826267935 607848922 /nfs/dbraw/zinc/84/89/22/607848922.db2.gz CLAKGWUXHUCOSL-CQSZACIVSA-N 0 1 383.431 1.773 20 0 GDADMN Clc1ccc2ncc(-c3nn[nH]n3)c(N3CCN([C@H]4CCOC4)CC3)c2c1 ZINC000826352963 607849007 /nfs/dbraw/zinc/84/90/07/607849007.db2.gz VURBKBPHVMWQEC-ZDUSSCGKSA-N 0 1 385.859 1.979 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1-c1nnn[n-]1 ZINC000826083072 608020082 /nfs/dbraw/zinc/02/00/82/608020082.db2.gz HYDVNWUKBTZCEM-UHFFFAOYSA-N 0 1 398.427 1.415 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1-c1nn[n-]n1 ZINC000826083072 608020083 /nfs/dbraw/zinc/02/00/83/608020083.db2.gz HYDVNWUKBTZCEM-UHFFFAOYSA-N 0 1 398.427 1.415 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccccc2F)c1-c1nnn[n-]1 ZINC000826073407 608020239 /nfs/dbraw/zinc/02/02/39/608020239.db2.gz QWNLVLVBTRHHLG-LLVKDONJSA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccccc2F)c1-c1nn[n-]n1 ZINC000826073407 608020240 /nfs/dbraw/zinc/02/02/40/608020240.db2.gz QWNLVLVBTRHHLG-LLVKDONJSA-N 0 1 386.435 1.698 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(Cc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826073091 608020768 /nfs/dbraw/zinc/02/07/68/608020768.db2.gz DKYQPNRPXFOURT-UHFFFAOYSA-N 0 1 380.456 1.703 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826073091 608020769 /nfs/dbraw/zinc/02/07/69/608020769.db2.gz DKYQPNRPXFOURT-UHFFFAOYSA-N 0 1 380.456 1.703 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826077351 608021097 /nfs/dbraw/zinc/02/10/97/608021097.db2.gz FGKMIKJSXWAFBR-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826077351 608021098 /nfs/dbraw/zinc/02/10/98/608021098.db2.gz FGKMIKJSXWAFBR-UHFFFAOYSA-N 0 1 378.799 1.787 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCSc3ccccc32)c1-c1nnn[n-]1 ZINC000826077385 608021118 /nfs/dbraw/zinc/02/11/18/608021118.db2.gz GOMFNHPTXMPRCT-LBPRGKRZSA-N 0 1 398.496 1.960 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCSc3ccccc32)c1-c1nn[n-]n1 ZINC000826077385 608021119 /nfs/dbraw/zinc/02/11/19/608021119.db2.gz GOMFNHPTXMPRCT-LBPRGKRZSA-N 0 1 398.496 1.960 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(C(C)C)c2C)c1-c1nnn[n-]1 ZINC000826077693 608021446 /nfs/dbraw/zinc/02/14/46/608021446.db2.gz QUVGAZZFRWKPBO-UHFFFAOYSA-N 0 1 385.476 1.993 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(C(C)C)c2C)c1-c1nn[n-]n1 ZINC000826077693 608021447 /nfs/dbraw/zinc/02/14/47/608021447.db2.gz QUVGAZZFRWKPBO-UHFFFAOYSA-N 0 1 385.476 1.993 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCc3sccc32)c1-c1nnn[n-]1 ZINC000826077822 608022175 /nfs/dbraw/zinc/02/21/75/608022175.db2.gz XAFXZRDEXARAMO-LLVKDONJSA-N 0 1 386.485 1.862 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCc3sccc32)c1-c1nn[n-]n1 ZINC000826077822 608022176 /nfs/dbraw/zinc/02/21/76/608022176.db2.gz XAFXZRDEXARAMO-LLVKDONJSA-N 0 1 386.485 1.862 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cccc(F)c3)CC2)c1-c1nnn[n-]1 ZINC000826073626 608022585 /nfs/dbraw/zinc/02/25/85/608022585.db2.gz ZWXVOCMFWLRWSB-UHFFFAOYSA-N 0 1 384.419 1.551 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cccc(F)c3)CC2)c1-c1nn[n-]n1 ZINC000826073626 608022586 /nfs/dbraw/zinc/02/25/86/608022586.db2.gz ZWXVOCMFWLRWSB-UHFFFAOYSA-N 0 1 384.419 1.551 20 0 GDADMN O=S1(=O)CC[C@H](CCN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000826495881 608032128 /nfs/dbraw/zinc/03/21/28/608032128.db2.gz FNYQTQYJVYTCRO-HNNXBMFYSA-N 0 1 390.513 1.204 20 0 GDADMN Cn1c2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2nc1C(C)(C)C ZINC000826355183 608032216 /nfs/dbraw/zinc/03/22/16/608032216.db2.gz NNQLAAAZZGGZLE-UHFFFAOYSA-N 0 1 380.416 1.281 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC([C@@H](O)c2nccn2C)CC1 ZINC000826182857 608032996 /nfs/dbraw/zinc/03/29/96/608032996.db2.gz WKOQAMIUEZYNGW-QGZVFWFLSA-N 0 1 383.456 1.554 20 0 GDADMN COCCN(CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157885 608033052 /nfs/dbraw/zinc/03/30/52/608033052.db2.gz PXKXWOPMNMTZDA-HNNXBMFYSA-N 0 1 379.486 1.140 20 0 GDADMN Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826290241 608035382 /nfs/dbraw/zinc/03/53/82/608035382.db2.gz GSYMVMJLQIZORN-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826290241 608035383 /nfs/dbraw/zinc/03/53/83/608035383.db2.gz GSYMVMJLQIZORN-CYBMUJFWSA-N 0 1 397.487 1.680 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1ccc(F)cc1F ZINC000825935154 608036722 /nfs/dbraw/zinc/03/67/22/608036722.db2.gz VVBBKEHUWFLWFU-CYBMUJFWSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)c1ccc(F)cc1F ZINC000825935154 608036723 /nfs/dbraw/zinc/03/67/23/608036723.db2.gz VVBBKEHUWFLWFU-CYBMUJFWSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1ccc(F)cc1F ZINC000825935154 608036724 /nfs/dbraw/zinc/03/67/24/608036724.db2.gz VVBBKEHUWFLWFU-CYBMUJFWSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)c1ccc(F)cc1F ZINC000825935154 608036725 /nfs/dbraw/zinc/03/67/25/608036725.db2.gz VVBBKEHUWFLWFU-CYBMUJFWSA-N 0 1 378.387 1.048 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000443053624 608096863 /nfs/dbraw/zinc/09/68/63/608096863.db2.gz VEYIHBCGFFFONN-MRVPVSSYSA-N 0 1 396.864 1.801 20 0 GDADMN C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CC[C@@H](C3CC3)C2)C1=O ZINC000824843572 608110009 /nfs/dbraw/zinc/11/00/09/608110009.db2.gz GYGNMBUZRKEBLB-AUUYWEPGSA-N 0 1 381.440 1.323 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nn2cc(Br)cn2)cc1-c1nn[nH]n1 ZINC000826229654 608199924 /nfs/dbraw/zinc/19/99/24/608199924.db2.gz MEZURJBTORJDFT-UHFFFAOYSA-N 0 1 397.218 1.032 20 0 GDADMN Cc1ccc([C@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)N2CCCC2)o1 ZINC000826284177 608221969 /nfs/dbraw/zinc/22/19/69/608221969.db2.gz MHXLBVSICGUEKE-HNNXBMFYSA-N 0 1 396.455 1.528 20 0 GDADMN CC(C)[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO1 ZINC000824217075 608249179 /nfs/dbraw/zinc/24/91/79/608249179.db2.gz XYRVAFBXBOWRQD-GXFFZTMASA-N 0 1 387.412 1.627 20 0 GDADMN CC(C)[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO1 ZINC000824217074 608249445 /nfs/dbraw/zinc/24/94/45/608249445.db2.gz 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392.297 1.985 20 0 GDADMN Cc1ccccc1-n1cc(CNCCS(=O)(=O)N2CCSCC2)cn1 ZINC000647181549 653622915 /nfs/dbraw/zinc/62/29/15/653622915.db2.gz GRWWSVUOXHXDOC-UHFFFAOYSA-N 0 1 380.539 1.649 20 0 GDADMN COCCN1CCN(CC(=O)Nc2ccc(Br)cn2)C(C)(C)C1 ZINC000649849631 653676338 /nfs/dbraw/zinc/67/63/38/653676338.db2.gz DHAXSWKFYFHGRP-UHFFFAOYSA-N 0 1 385.306 1.825 20 0 GDADMN C[N@@H+](CCN1CCCS1(=O)=O)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000652433755 653891196 /nfs/dbraw/zinc/89/11/96/653891196.db2.gz DOYDQYHRNGOJOD-CYBMUJFWSA-N 0 1 391.287 1.542 20 0 GDADMN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCC1CC[NH2+]CC1 ZINC000653273676 653909530 /nfs/dbraw/zinc/90/95/30/653909530.db2.gz LEGADHSPLGREQQ-UHFFFAOYSA-N 0 1 394.324 1.778 20 0 GDADMN O=C(CNC(=O)CN1CCCCC[C@H]1CO)Nc1ccccc1Br ZINC000653783225 653922067 /nfs/dbraw/zinc/92/20/67/653922067.db2.gz MDOGTZLVXDZLJC-ZDUSSCGKSA-N 0 1 398.301 1.741 20 0 GDADMN Cn1cnnc1N1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000653824008 653923697 /nfs/dbraw/zinc/92/36/97/653923697.db2.gz QHNCPUXCVFUDPG-UHFFFAOYSA-N 0 1 376.262 1.776 20 0 GDADMN C[C@H](CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)NC(N)=O ZINC000654697444 653943622 /nfs/dbraw/zinc/94/36/22/653943622.db2.gz QCEGGTKGZCULFX-MRVPVSSYSA-N 0 1 381.234 1.297 20 0 GDADMN C[C@H](CC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)NC(N)=O ZINC000654697444 653943626 /nfs/dbraw/zinc/94/36/26/653943626.db2.gz QCEGGTKGZCULFX-MRVPVSSYSA-N 0 1 381.234 1.297 20 0 GDADMN O=S(=O)(Cc1ccc(Br)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655648257 653984899 /nfs/dbraw/zinc/98/48/99/653984899.db2.gz JNCGTJWLAOUKHF-UONOGXRCSA-N 0 1 375.288 1.030 20 0 GDADMN O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)Nc1cnc[nH]1 ZINC000656381674 654027319 /nfs/dbraw/zinc/02/73/19/654027319.db2.gz ZLNLFSOPHTWHJY-HZSPNIEDSA-N 0 1 390.531 1.430 20 0 GDADMN COc1cc(OC)c(OC)cc1NS(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000656626698 654043459 /nfs/dbraw/zinc/04/34/59/654043459.db2.gz SYLMVQKAWHQQSM-ZBEGNZNMSA-N 0 1 375.443 1.506 20 0 GDADMN CS(=O)(=O)CC1(CCN[C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000656677835 654046628 /nfs/dbraw/zinc/04/66/28/654046628.db2.gz QQCVEGZZDMHLHN-CYBMUJFWSA-N 0 1 389.315 1.780 20 0 GDADMN O=S(=O)(NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1O ZINC000656960250 654078250 /nfs/dbraw/zinc/07/82/50/654078250.db2.gz HLJFKIHDJSSRQD-UHFFFAOYSA-N 0 1 382.463 1.411 20 0 GDADMN CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000657034572 654104564 /nfs/dbraw/zinc/10/45/64/654104564.db2.gz STBDARIBGSRCAL-CQSZACIVSA-N 0 1 388.555 1.879 20 0 GDADMN COCc1nc(CNS(=O)(=O)c2ccc(F)cc2Br)n[nH]1 ZINC000657103621 654114726 /nfs/dbraw/zinc/11/47/26/654114726.db2.gz HXOOYCBWYOTUST-UHFFFAOYSA-N 0 1 379.211 1.331 20 0 GDADMN COc1cc(F)c(Br)cc1S(=O)(=O)N1CCNCC1(C)C ZINC000658370054 654185858 /nfs/dbraw/zinc/18/58/58/654185858.db2.gz PDFBGQFASRATHT-UHFFFAOYSA-N 0 1 381.267 1.969 20 0 GDADMN COCc1nc(CNC(=O)C(=O)Nc2ccc(C)cc2Br)n[nH]1 ZINC000658473320 654195184 /nfs/dbraw/zinc/19/51/84/654195184.db2.gz ZXFGEYOWUVFAAW-UHFFFAOYSA-N 0 1 382.218 1.277 20 0 GDADMN COCc1nnc(CNC(=O)C(=O)Nc2ccc(C)cc2Br)[nH]1 ZINC000658473320 654195185 /nfs/dbraw/zinc/19/51/85/654195185.db2.gz ZXFGEYOWUVFAAW-UHFFFAOYSA-N 0 1 382.218 1.277 20 0 GDADMN CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658680086 654203832 /nfs/dbraw/zinc/20/38/32/654203832.db2.gz WCJVCCLHVWOJTE-UHFFFAOYSA-N 0 1 386.265 1.567 20 0 GDADMN CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000660569813 654255043 /nfs/dbraw/zinc/25/50/43/654255043.db2.gz JNTRWBNLVJWHHV-QKPAOTATSA-N 0 1 376.881 1.626 20 0 GDADMN CN(CCc1ccccc1)[C@@H]1CCN(Cc2nnc(S(C)(=O)=O)s2)C1 ZINC000661650999 654280602 /nfs/dbraw/zinc/28/06/02/654280602.db2.gz XTPAETZDTHEEOK-OAHLLOKOSA-N 0 1 380.539 1.690 20 0 GDADMN C[C@H](NC(=O)[C@H](C)N(C)CC1=CCSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000662268143 654291578 /nfs/dbraw/zinc/29/15/78/654291578.db2.gz QTCUQJFKWNACPR-STQMWFEESA-N 0 1 383.539 1.505 20 0 GDADMN Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N[C@]2(C)CC2(C)C)c1C ZINC000662870814 654314096 /nfs/dbraw/zinc/31/40/96/654314096.db2.gz BKXUZGNGZCIFIU-OAHLLOKOSA-N 0 1 392.547 1.656 20 0 GDADMN Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)NC2CC(C)(C)C2)ccn1 ZINC000662877192 654315307 /nfs/dbraw/zinc/31/53/07/654315307.db2.gz GWQAWAYMHKBWRN-UHFFFAOYSA-N 0 1 389.543 1.442 20 0 GDADMN O=C(NCC(=O)N1CCNCC1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663596374 654344873 /nfs/dbraw/zinc/34/48/73/654344873.db2.gz GGCZUNHZHJXGJJ-UHFFFAOYSA-N 0 1 380.754 1.792 20 0 GDADMN COCc1nc(CNC(=O)NCc2cc(OC)ccc2Br)n[nH]1 ZINC000663743610 654351373 /nfs/dbraw/zinc/35/13/73/654351373.db2.gz SENLBRYBOUNYDL-UHFFFAOYSA-N 0 1 384.234 1.722 20 0 GDADMN COCc1nnc(CNC(=O)NCc2cc(OC)ccc2Br)[nH]1 ZINC000663743610 654351381 /nfs/dbraw/zinc/35/13/81/654351381.db2.gz SENLBRYBOUNYDL-UHFFFAOYSA-N 0 1 384.234 1.722 20 0 GDADMN O=C(NCCCc1nc[nH]n1)NCCNC(=O)c1ccc(Br)cc1 ZINC000663770158 654353176 /nfs/dbraw/zinc/35/31/76/654353176.db2.gz PQHRLVHRUVBWOJ-UHFFFAOYSA-N 0 1 395.261 1.229 20 0 GDADMN COc1cc(N2CCC(O)(CN3CCOCC3)CC2)c(Br)cn1 ZINC000663780277 654353569 /nfs/dbraw/zinc/35/35/69/654353569.db2.gz HJPAUIXXBIZOEL-UHFFFAOYSA-N 0 1 386.290 1.516 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCCN(S(C)(=O)=O)CC2)C1 ZINC000731480989 654435067 /nfs/dbraw/zinc/43/50/67/654435067.db2.gz KJJZONPTACZEEZ-HNNXBMFYSA-N 0 1 375.535 1.601 20 0 GDADMN NS(=O)(=O)c1ccsc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000666720610 654435805 /nfs/dbraw/zinc/43/58/05/654435805.db2.gz LRINYORMUHEJEG-UHFFFAOYSA-N 0 1 380.495 1.185 20 0 GDADMN NC(=O)[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1cccc(Br)c1 ZINC000667578872 654456860 /nfs/dbraw/zinc/45/68/60/654456860.db2.gz GLUAMFJLFNWZGL-YGRLFVJLSA-N 0 1 377.242 1.620 20 0 GDADMN Cc1nc(CC(=O)NCCC(=O)Nc2ccc(Br)cc2C)n[nH]1 ZINC000667907590 654463833 /nfs/dbraw/zinc/46/38/33/654463833.db2.gz UPIAWAMFKUWUQN-UHFFFAOYSA-N 0 1 380.246 1.872 20 0 GDADMN CC(C)CN1CCO[C@@H](CNC(=O)c2nccn3c(Br)cnc23)C1 ZINC000769624385 654473154 /nfs/dbraw/zinc/47/31/54/654473154.db2.gz HOQKZBOZUWGIMG-LBPRGKRZSA-N 0 1 396.289 1.578 20 0 GDADMN CCOC(=O)N1CC[C@@H](NS(=O)(=O)c2nc(C)c(Br)s2)C1 ZINC000770282330 654507505 /nfs/dbraw/zinc/50/75/05/654507505.db2.gz IQZSWGHLSZELSE-MRVPVSSYSA-N 0 1 398.304 1.723 20 0 GDADMN Cc1nc(N2CCC(CCCN3CCOCC3)CC2)sc1S(N)(=O)=O ZINC000669967832 654516402 /nfs/dbraw/zinc/51/64/02/654516402.db2.gz CKXOFTFYYFCTJL-UHFFFAOYSA-N 0 1 388.559 1.428 20 0 GDADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N[C@H](CO)c1ccsc1 ZINC000771527789 654539853 /nfs/dbraw/zinc/53/98/53/654539853.db2.gz BLGKDUGFVVHEEA-CQSZACIVSA-N 0 1 375.475 1.987 20 0 GDADMN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCCN1CCSCC1 ZINC000772086521 654555565 /nfs/dbraw/zinc/55/55/65/654555565.db2.gz WVXSRTBKMSQJSP-CQSZACIVSA-N 0 1 389.587 1.894 20 0 GDADMN COc1ccc(NS(=O)(=O)c2cnc(Cl)c(C)c2)cc1S(N)(=O)=O ZINC000735265229 654557181 /nfs/dbraw/zinc/55/71/81/654557181.db2.gz CVRYREQKZBFHFE-UHFFFAOYSA-N 0 1 391.858 1.500 20 0 GDADMN O=C(OCc1c[nH]nn1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000735307185 654558277 /nfs/dbraw/zinc/55/82/77/654558277.db2.gz URKCPFVYBZIBJR-CYBMUJFWSA-N 0 1 379.214 1.915 20 0 GDADMN CN1CCC[C@@H](NC(=O)C(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000672660350 654561770 /nfs/dbraw/zinc/56/17/70/654561770.db2.gz RZCDUPBMNJJHQM-OAHLLOKOSA-N 0 1 394.313 1.807 20 0 GDADMN O=C(N[C@@]1(CCO)CCOC1)c1cccc(I)c1O ZINC000773034044 654578727 /nfs/dbraw/zinc/57/87/27/654578727.db2.gz YKYLAAWBJXGZPV-ZDUSSCGKSA-N 0 1 377.178 1.268 20 0 GDADMN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N(C)C ZINC000674283839 654596402 /nfs/dbraw/zinc/59/64/02/654596402.db2.gz HLVCRGIWXFIEJH-NSHDSACASA-N 0 1 377.869 1.262 20 0 GDADMN CN(CCN1CCCS1(=O)=O)C[C@@H](O)COCc1ccccc1Cl ZINC000674462416 654599612 /nfs/dbraw/zinc/59/96/12/654599612.db2.gz RHDIMVSCWRURQX-OAHLLOKOSA-N 0 1 376.906 1.185 20 0 GDADMN CN1CCN(C)[C@@H](CNC(=O)N2CCc3c(F)cc(Br)cc3C2)C1 ZINC000675243070 654611216 /nfs/dbraw/zinc/61/12/16/654611216.db2.gz JYACCVSZBQFTGH-AWEZNQCLSA-N 0 1 399.308 1.902 20 0 GDADMN Cc1ccc(O[C@@H](C)C(=O)N2CCOC[C@H]2c2nn[nH]n2)c(Br)c1 ZINC000737363894 654619333 /nfs/dbraw/zinc/61/93/33/654619333.db2.gz GGGFPOUEHQGDGB-JQWIXIFHSA-N 0 1 396.245 1.638 20 0 GDADMN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCOC[C@@H]1c1nn[nH]n1 ZINC000737783182 654629410 /nfs/dbraw/zinc/62/94/10/654629410.db2.gz INHKXQUZBIGLDM-YNEHKIRRSA-N 0 1 378.230 1.666 20 0 GDADMN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000676076141 654634430 /nfs/dbraw/zinc/63/44/30/654634430.db2.gz JPVRBHWZCGEFPL-UHFFFAOYSA-N 0 1 380.451 1.147 20 0 GDADMN CCc1cc(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)n[nH]1 ZINC000774770869 654638518 /nfs/dbraw/zinc/63/85/18/654638518.db2.gz CZSTUYJYYPDYKN-UHFFFAOYSA-N 0 1 391.902 1.649 20 0 GDADMN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)NCc1nn[nH]n1 ZINC000676358892 654639491 /nfs/dbraw/zinc/63/94/91/654639491.db2.gz WHHRWSDENXLODD-UHFFFAOYSA-N 0 1 383.206 1.004 20 0 GDADMN CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccs1 ZINC000774859982 654643843 /nfs/dbraw/zinc/64/38/43/654643843.db2.gz RKFNOIZWXUTYCL-UXOAXIEHSA-N 0 1 399.607 1.963 20 0 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C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571281987 945824818 /nfs/dbraw/zinc/82/48/18/945824818.db2.gz QPXCMIFVIGFGCP-CJNGLKHVSA-N 0 1 387.488 1.274 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC001571282408 945842512 /nfs/dbraw/zinc/84/25/12/945842512.db2.gz XPUNXVKHKSRPMS-GFCCVEGCSA-N 0 1 387.469 1.961 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC001571282408 945842518 /nfs/dbraw/zinc/84/25/18/945842518.db2.gz XPUNXVKHKSRPMS-GFCCVEGCSA-N 0 1 387.469 1.961 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC001571282409 945843030 /nfs/dbraw/zinc/84/30/30/945843030.db2.gz XPUNXVKHKSRPMS-LBPRGKRZSA-N 0 1 387.469 1.961 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC001571282409 945843051 /nfs/dbraw/zinc/84/30/51/945843051.db2.gz XPUNXVKHKSRPMS-LBPRGKRZSA-N 0 1 387.469 1.961 20 0 GDADMN CC[C@@H](C(=O)N1CCC(CC)(Nc2cncc(-c3nnn[n-]3)n2)CC1)[NH+](C)C ZINC001571283374 945884691 /nfs/dbraw/zinc/88/46/91/945884691.db2.gz DKAOXKKXHYWRFQ-AWEZNQCLSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@@H](C(=O)N1CCC(CC)(Nc2cncc(-c3nn[n-]n3)n2)CC1)[NH+](C)C ZINC001571283374 945884694 /nfs/dbraw/zinc/88/46/94/945884694.db2.gz DKAOXKKXHYWRFQ-AWEZNQCLSA-N 0 1 387.492 1.180 20 0 GDADMN CCC(CC)C(=O)N1CCO[C@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571284643 945902478 /nfs/dbraw/zinc/90/24/78/945902478.db2.gz RUPAZLLWFOJLGY-DYVFJYSZSA-N 0 1 387.488 1.456 20 0 GDADMN CCC(CC)C(=O)N1CCO[C@@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571284642 945903274 /nfs/dbraw/zinc/90/32/74/945903274.db2.gz RUPAZLLWFOJLGY-CXAGYDPISA-N 0 1 387.488 1.456 20 0 GDADMN Cc1oc(NC(=O)CN2CC[N@H+](C3CCCC3)[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC001571284885 945907740 /nfs/dbraw/zinc/90/77/40/945907740.db2.gz VSGCDUBQXASJIZ-GFCCVEGCSA-N 0 1 387.488 1.964 20 0 GDADMN Cc1oc(NC(=O)CN2CC[N@@H+](C3CCCC3)[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC001571284885 945907756 /nfs/dbraw/zinc/90/77/56/945907756.db2.gz VSGCDUBQXASJIZ-GFCCVEGCSA-N 0 1 387.488 1.964 20 0 GDADMN Cc1cc(=O)c(C(=O)N(CCN(C)C)Cc2ccc(-c3nn[nH]n3)cc2)c[nH]1 ZINC000822161650 945967196 /nfs/dbraw/zinc/96/71/96/945967196.db2.gz ROJSEPLOMQPBCS-UHFFFAOYSA-N 0 1 381.440 1.067 20 0 GDADMN COc1cc(CN[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)sn1 ZINC001571289559 946009386 /nfs/dbraw/zinc/00/93/86/946009386.db2.gz HMAXJEYJGICKAG-ONGXEEELSA-N 0 1 388.457 1.053 20 0 GDADMN Cc1nn[nH]c1C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[nH]n2)C1 ZINC001571289582 946012166 /nfs/dbraw/zinc/01/21/66/946012166.db2.gz IENGEEVIGWFMKG-HNNXBMFYSA-N 0 1 388.461 1.022 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001571289916 946022823 /nfs/dbraw/zinc/02/28/23/946022823.db2.gz PQQDIZSGLSCENL-CYBMUJFWSA-N 0 1 388.497 1.389 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001571289916 946022829 /nfs/dbraw/zinc/02/28/29/946022829.db2.gz PQQDIZSGLSCENL-CYBMUJFWSA-N 0 1 388.497 1.389 20 0 GDADMN O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290544 946047231 /nfs/dbraw/zinc/04/72/31/946047231.db2.gz IKVSDDFTOMPLBC-VHSXEESVSA-N 0 1 388.819 1.478 20 0 GDADMN O=C(N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C1CC(F)(F)C1 ZINC001571292385 946096677 /nfs/dbraw/zinc/09/66/77/946096677.db2.gz YRQYQNHCHKVBQK-UONOGXRCSA-N 0 1 389.410 1.568 20 0 GDADMN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571298502 946219306 /nfs/dbraw/zinc/21/93/06/946219306.db2.gz PMNVTDZEAOVKGI-NXEZZACHSA-N 0 1 390.498 1.278 20 0 GDADMN C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571298502 946219316 /nfs/dbraw/zinc/21/93/16/946219316.db2.gz PMNVTDZEAOVKGI-NXEZZACHSA-N 0 1 390.498 1.278 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2-c2nn[nH]n2)ncn1 ZINC001571298554 946220816 /nfs/dbraw/zinc/22/08/16/946220816.db2.gz GVACPXMJAVAKLY-KYJSFNMBSA-N 0 1 390.451 1.500 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001571298547 946220874 /nfs/dbraw/zinc/22/08/74/946220874.db2.gz ASYHXGATLNYHHX-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001571298547 946220886 /nfs/dbraw/zinc/22/08/86/946220886.db2.gz ASYHXGATLNYHHX-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001571299225 946244019 /nfs/dbraw/zinc/24/40/19/946244019.db2.gz JYVGIHYPERJYEC-DGCLKSJQSA-N 0 1 390.517 1.376 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001571299225 946244029 /nfs/dbraw/zinc/24/40/29/946244029.db2.gz JYVGIHYPERJYEC-DGCLKSJQSA-N 0 1 390.517 1.376 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571299740 946258717 /nfs/dbraw/zinc/25/87/17/946258717.db2.gz OZWFNEJKENJFAC-RDTXWAMCSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571299740 946258727 /nfs/dbraw/zinc/25/87/27/946258727.db2.gz OZWFNEJKENJFAC-RDTXWAMCSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571299740 946258738 /nfs/dbraw/zinc/25/87/38/946258738.db2.gz OZWFNEJKENJFAC-RDTXWAMCSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571299740 946258748 /nfs/dbraw/zinc/25/87/48/946258748.db2.gz OZWFNEJKENJFAC-RDTXWAMCSA-N 0 1 390.513 1.778 20 0 GDADMN Cc1nsc(N2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)c1-c1nn[n-]n1 ZINC001571299736 946259944 /nfs/dbraw/zinc/25/99/44/946259944.db2.gz OZVCLZWAEYUAQI-NSHDSACASA-N 0 1 390.517 1.058 20 0 GDADMN Cc1nsc(N2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)c1-c1nn[n-]n1 ZINC001571299736 946259953 /nfs/dbraw/zinc/25/99/53/946259953.db2.gz OZVCLZWAEYUAQI-NSHDSACASA-N 0 1 390.517 1.058 20 0 GDADMN C[C@H]1CN(C(=O)c2nc(Cl)cs2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571299892 946264051 /nfs/dbraw/zinc/26/40/51/946264051.db2.gz QGDQUNQHXIQOMO-KWQFWETISA-N 0 1 390.860 1.366 20 0 GDADMN Cc1nsc(N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571300314 946280367 /nfs/dbraw/zinc/28/03/67/946280367.db2.gz ZJYZDZBMUBJOAJ-ZWNOBZJWSA-N 0 1 390.517 1.232 20 0 GDADMN O=C(c1ccoc1C1CC1)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571302734 946313458 /nfs/dbraw/zinc/31/34/58/946313458.db2.gz AHYFNZAWWZOFPS-OKILXGFUSA-N 0 1 391.435 1.941 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571302824 946315678 /nfs/dbraw/zinc/31/56/78/946315678.db2.gz GPPMCKFXPOFJLQ-ZFWWWQNUSA-N 0 1 391.439 1.101 20 0 GDADMN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000823171276 946336236 /nfs/dbraw/zinc/33/62/36/946336236.db2.gz SFYIULVHMJLHMI-SFHVURJKSA-N 0 1 384.465 1.295 20 0 GDADMN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC000823171276 946336244 /nfs/dbraw/zinc/33/62/44/946336244.db2.gz SFYIULVHMJLHMI-SFHVURJKSA-N 0 1 384.465 1.295 20 0 GDADMN Cc1cnccc1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571306183 946391442 /nfs/dbraw/zinc/39/14/42/946391442.db2.gz QLDMOKRSCMFJKO-SFHVURJKSA-N 0 1 391.479 1.846 20 0 GDADMN O=C(c1ccncn1)N1CCC(Nc2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571306361 946398384 /nfs/dbraw/zinc/39/83/84/946398384.db2.gz UFSJSSYNHSHCOA-UHFFFAOYSA-N 0 1 391.848 1.483 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1nc(-c2nn[nH]n2)c(Cl)s1)c1ccnnc1 ZINC001571306553 946405416 /nfs/dbraw/zinc/40/54/16/946405416.db2.gz XFMBGIZHHNFHHX-VIFPVBQESA-N 0 1 391.848 1.165 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571307387 946423736 /nfs/dbraw/zinc/42/37/36/946423736.db2.gz CYBQLKSZFHRDDD-NEPJUHHUSA-N 0 1 392.414 1.377 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001571310774 946477052 /nfs/dbraw/zinc/47/70/52/946477052.db2.gz MLIKGCFPJWGNIB-GDBMZVCRSA-N 0 1 392.467 1.675 20 0 GDADMN Cc1nc[nH]c1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571313471 946522849 /nfs/dbraw/zinc/52/28/49/946522849.db2.gz OZIKOFXVAQLCSW-HXUWFJFHSA-N 0 1 392.467 1.636 20 0 GDADMN CCCc1ccccc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571313474 946523880 /nfs/dbraw/zinc/52/38/80/946523880.db2.gz PEUPYVKKHMZDLY-CQSZACIVSA-N 0 1 392.467 1.605 20 0 GDADMN CCc1cncc(C(=O)N[C@@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571314004 946539867 /nfs/dbraw/zinc/53/98/67/946539867.db2.gz YQJPNTYTWSHJPC-FQEVSTJZSA-N 0 1 392.467 1.926 20 0 GDADMN Cc1cc(C)nc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001571315187 946550848 /nfs/dbraw/zinc/55/08/48/946550848.db2.gz HBAPGIKCMLYWDP-GDBMZVCRSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccn(C)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315480 946555118 /nfs/dbraw/zinc/55/51/18/946555118.db2.gz LUCJQLNUQIREGI-CVEARBPZSA-N 0 1 392.467 1.792 20 0 GDADMN Cc1cc(N(C)[C@H]2CCCN(C(=O)Cc3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316049 946564613 /nfs/dbraw/zinc/56/46/13/946564613.db2.gz SLCPRXQBNKXTKZ-INIZCTEOSA-N 0 1 392.467 1.635 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)Cc3cccnc3C)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316169 946569958 /nfs/dbraw/zinc/56/99/58/946569958.db2.gz VJJMATJGJHPEHW-XIKOKIGWSA-N 0 1 392.467 1.197 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn2c1CCCC2 ZINC001571317044 946597568 /nfs/dbraw/zinc/59/75/68/946597568.db2.gz SWAHGZNUIVVXBC-INIZCTEOSA-N 0 1 392.467 1.404 20 0 GDADMN Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571317372 946609290 /nfs/dbraw/zinc/60/92/90/946609290.db2.gz FJRSQUWYWXEVNH-VIFPVBQESA-N 0 1 392.876 1.617 20 0 GDADMN Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571317372 946609297 /nfs/dbraw/zinc/60/92/97/946609297.db2.gz FJRSQUWYWXEVNH-VIFPVBQESA-N 0 1 392.876 1.617 20 0 GDADMN C[NH+](C)C1(CNS(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)CCC1 ZINC001571317540 946614634 /nfs/dbraw/zinc/61/46/34/946614634.db2.gz LSQRVMSPSWYDBL-UHFFFAOYSA-N 0 1 392.510 1.844 20 0 GDADMN C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568732 946807661 /nfs/dbraw/zinc/80/76/61/946807661.db2.gz CKJLHQSOAXONSA-BXUZGUMPSA-N 0 1 393.494 1.414 20 0 GDADMN CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C[C@@H]1O ZINC000825210198 947120427 /nfs/dbraw/zinc/12/04/27/947120427.db2.gz FWBJGPIGENMTFW-PWSUYJOCSA-N 0 1 376.486 1.448 20 0 GDADMN CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C[C@@H]1O ZINC000825210198 947120433 /nfs/dbraw/zinc/12/04/33/947120433.db2.gz FWBJGPIGENMTFW-PWSUYJOCSA-N 0 1 376.486 1.448 20 0 GDADMN CC[NH+]1CCN(c2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc2)CC1 ZINC000825465932 947197855 /nfs/dbraw/zinc/19/78/55/947197855.db2.gz SOIFVWGREDFSRO-UHFFFAOYSA-N 0 1 396.455 1.486 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1)c1cccc(F)c1 ZINC001573585618 947263876 /nfs/dbraw/zinc/26/38/76/947263876.db2.gz HGVDQVLFAXHHDL-QWHCGFSZSA-N 0 1 383.431 1.885 20 0 GDADMN C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573586363 947285409 /nfs/dbraw/zinc/28/54/09/947285409.db2.gz OXGLZXDPAKNVNT-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573591481 947312505 /nfs/dbraw/zinc/31/25/05/947312505.db2.gz BTPQOKMJYWEBFJ-ZDUSSCGKSA-N 0 1 383.460 1.038 20 0 GDADMN C[C@H](C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573594536 947398888 /nfs/dbraw/zinc/39/88/88/947398888.db2.gz PTKIGRWNYLNPBP-PKSQDBQZSA-N 0 1 384.469 1.345 20 0 GDADMN C[C@@H](C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573594729 947405241 /nfs/dbraw/zinc/40/52/41/947405241.db2.gz RLTKBNBFQCIQGR-FZKQIMNGSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573594731 947405740 /nfs/dbraw/zinc/40/57/40/947405740.db2.gz RLTKBNBFQCIQGR-UGSOOPFHSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573597791 947439395 /nfs/dbraw/zinc/43/93/95/947439395.db2.gz ONOZANIMIBCNGT-NWDGAFQWSA-N 0 1 380.518 1.519 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573597791 947439405 /nfs/dbraw/zinc/43/94/05/947439405.db2.gz ONOZANIMIBCNGT-NWDGAFQWSA-N 0 1 380.518 1.519 20 0 GDADMN COC(=O)C1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826133973 947445975 /nfs/dbraw/zinc/44/59/75/947445975.db2.gz RBUSHVWJDIFWOC-UHFFFAOYSA-N 0 1 381.440 1.652 20 0 GDADMN C[C@H](C(=O)N(C)CCOCCNc1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573604229 947507680 /nfs/dbraw/zinc/50/76/80/947507680.db2.gz MSZVTIGVAXJRRI-CYBMUJFWSA-N 0 1 375.477 1.253 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cccc1 ZINC001573604432 947511407 /nfs/dbraw/zinc/51/14/07/947511407.db2.gz TWZLFAJACHQUOR-CQSZACIVSA-N 0 1 385.447 1.959 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000826170031 947531036 /nfs/dbraw/zinc/53/10/36/947531036.db2.gz MSGXVFGCBTUGQA-LLVKDONJSA-N 0 1 388.453 1.374 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)C(C)(F)F ZINC001573613477 947562494 /nfs/dbraw/zinc/56/24/94/947562494.db2.gz AYZTVLKGDHCVEL-ZWNOBZJWSA-N 0 1 379.415 1.624 20 0 GDADMN C[C@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573614148 947577640 /nfs/dbraw/zinc/57/76/40/947577640.db2.gz CJDTUUSVVSLDKR-DJJJIMSYSA-N 0 1 381.440 1.731 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573614828 947593712 /nfs/dbraw/zinc/59/37/12/947593712.db2.gz HRFWZWBCYUKBQC-ZIAGYGMSSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573614828 947593718 /nfs/dbraw/zinc/59/37/18/947593718.db2.gz HRFWZWBCYUKBQC-ZIAGYGMSSA-N 0 1 385.497 1.929 20 0 GDADMN C=Cc1ccc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC001573355441 947643825 /nfs/dbraw/zinc/64/38/25/947643825.db2.gz PIVUFJKUYQKQKP-OAHLLOKOSA-N 0 1 376.424 1.342 20 0 GDADMN CC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)s1)c1ccccc1F ZINC001573365097 947726390 /nfs/dbraw/zinc/72/63/90/947726390.db2.gz LAEQAGOXZYSXQG-ZDUSSCGKSA-N 0 1 381.414 1.676 20 0 GDADMN C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573627823 947733813 /nfs/dbraw/zinc/73/38/13/947733813.db2.gz CTKVUQZQZDMXBI-UTUOFQBUSA-N 0 1 392.414 1.518 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573628209 947748238 /nfs/dbraw/zinc/74/82/38/947748238.db2.gz GJRJGNYZZFRRLF-WDEREUQCSA-N 0 1 380.403 1.020 20 0 GDADMN CC(=O)CCCC(=O)N(C)[C@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573366919 947750847 /nfs/dbraw/zinc/75/08/47/947750847.db2.gz VIHLHNQRCXYETL-MRVPVSSYSA-N 0 1 385.881 1.995 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573367472 947760378 /nfs/dbraw/zinc/76/03/78/947760378.db2.gz DAYCNZGRUJHZQD-LRDDRELGSA-N 0 1 388.447 1.844 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573367634 947761264 /nfs/dbraw/zinc/76/12/64/947761264.db2.gz GDBYURCTUZTJIJ-UKRRQHHQSA-N 0 1 385.472 1.339 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573629057 947771553 /nfs/dbraw/zinc/77/15/53/947771553.db2.gz QJXNRDUJUQKTMW-DZGCQCFKSA-N 0 1 384.488 1.910 20 0 GDADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)[nH]c21 ZINC000826276892 947799577 /nfs/dbraw/zinc/79/95/77/947799577.db2.gz BRMWTMDVFFWPES-UHFFFAOYSA-N 0 1 390.407 1.615 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573637573 947816804 /nfs/dbraw/zinc/81/68/04/947816804.db2.gz JGVKXRHVBRPYJK-OLZOCXBDSA-N 0 1 382.428 1.268 20 0 GDADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3cccc(C)c3-c3nn[nH]n3)[nH]c21 ZINC000826299088 947866039 /nfs/dbraw/zinc/86/60/39/947866039.db2.gz QRPAKWUUXQPBMA-UHFFFAOYSA-N 0 1 390.407 1.615 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)C(C)(F)F ZINC001573645962 947872172 /nfs/dbraw/zinc/87/21/72/947872172.db2.gz FDLUMEKPLIWUNP-GWCFXTLKSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)c1cccnc1 ZINC001573647038 947882838 /nfs/dbraw/zinc/88/28/38/947882838.db2.gz AXILAPSTKWBIHL-IJEWVQPXSA-N 0 1 392.467 1.389 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573383173 947890201 /nfs/dbraw/zinc/89/02/01/947890201.db2.gz OPANIPGQPSYPIS-OAHLLOKOSA-N 0 1 388.447 1.703 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573383469 947892609 /nfs/dbraw/zinc/89/26/09/947892609.db2.gz SDSUNIOEOSGCPD-AWEZNQCLSA-N 0 1 388.447 1.703 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573647437 947895109 /nfs/dbraw/zinc/89/51/09/947895109.db2.gz LABXWHKJGUYVTP-VNHYZAJKSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C(C)(C)C ZINC001573651306 947918945 /nfs/dbraw/zinc/91/89/45/947918945.db2.gz LDMDAKKEYWFSNC-VPZZIHKRSA-N 0 1 384.488 1.624 20 0 GDADMN Cc1nc(SCC(=O)NCC2=CC[N@@H+](C)CC2)c(-c2nn[nH]n2)c(C)c1C ZINC000826327603 947954878 /nfs/dbraw/zinc/95/48/78/947954878.db2.gz NKJRDBAJMIMYHR-UHFFFAOYSA-N 0 1 387.513 1.657 20 0 GDADMN C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573654285 947965788 /nfs/dbraw/zinc/96/57/88/947965788.db2.gz QLTRYQOZMPGFDZ-ZYHUDNBSSA-N 0 1 384.469 1.251 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346311 948038413 /nfs/dbraw/zinc/03/84/13/948038413.db2.gz JGPLRYMOOBHTEK-XJKSGUPXSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346311 948038421 /nfs/dbraw/zinc/03/84/21/948038421.db2.gz JGPLRYMOOBHTEK-XJKSGUPXSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346311 948038431 /nfs/dbraw/zinc/03/84/31/948038431.db2.gz JGPLRYMOOBHTEK-XJKSGUPXSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346311 948038437 /nfs/dbraw/zinc/03/84/37/948038437.db2.gz JGPLRYMOOBHTEK-XJKSGUPXSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346723 948042318 /nfs/dbraw/zinc/04/23/18/948042318.db2.gz UMTVMCVCFCRBOV-DOMZBBRYSA-N 0 1 381.440 1.485 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346723 948042328 /nfs/dbraw/zinc/04/23/28/948042328.db2.gz UMTVMCVCFCRBOV-DOMZBBRYSA-N 0 1 381.440 1.485 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346617 948044259 /nfs/dbraw/zinc/04/42/59/948044259.db2.gz QRFMTADUWLKESW-SWLSCSKDSA-N 0 1 381.440 1.657 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346617 948044268 /nfs/dbraw/zinc/04/42/68/948044268.db2.gz QRFMTADUWLKESW-SWLSCSKDSA-N 0 1 381.440 1.657 20 0 GDADMN Cc1onc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826347602 948057983 /nfs/dbraw/zinc/05/79/83/948057983.db2.gz XITXEHDYDSVSRA-CYBMUJFWSA-N 0 1 387.469 1.720 20 0 GDADMN CC(=O)N(Cc1ccccn1)C1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573415425 948109342 /nfs/dbraw/zinc/10/93/42/948109342.db2.gz RSKCKFFTFOKZIX-UHFFFAOYSA-N 0 1 392.467 1.983 20 0 GDADMN C[C@@H](C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573677238 948132693 /nfs/dbraw/zinc/13/26/93/948132693.db2.gz WWHDYEMLDSWICP-CYBMUJFWSA-N 0 1 378.440 1.545 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1)[NH+]1CCCCCC1 ZINC001573691984 948253223 /nfs/dbraw/zinc/25/32/23/948253223.db2.gz KHBMIFIOAABOFR-CQSZACIVSA-N 0 1 384.488 1.587 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1)C1CCC1 ZINC001573692088 948254320 /nfs/dbraw/zinc/25/43/20/948254320.db2.gz LIAJAHXVYZIXET-ZDUSSCGKSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCC1 ZINC001573694636 948296887 /nfs/dbraw/zinc/29/68/87/948296887.db2.gz CRMDXVOGXKVTPH-KPZWWZAWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCC1 ZINC001573694636 948296897 /nfs/dbraw/zinc/29/68/97/948296897.db2.gz CRMDXVOGXKVTPH-KPZWWZAWSA-N 0 1 390.513 1.417 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@H](C)C(=O)[O-] ZINC001602757789 971472870 /nfs/dbraw/zinc/47/28/70/971472870.db2.gz MAOWCIPMVZGXSN-SQWLQELKSA-N 0 1 385.505 1.933 20 0 GDADMN C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573708324 948448089 /nfs/dbraw/zinc/44/80/89/948448089.db2.gz UAZSDQLRIQVXHX-GFCCVEGCSA-N 0 1 382.428 1.386 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708570 948453155 /nfs/dbraw/zinc/45/31/55/948453155.db2.gz VUMFPHUYPSCVGD-KGLIPLIRSA-N 0 1 378.440 1.403 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1)C1CC1 ZINC001573708701 948458279 /nfs/dbraw/zinc/45/82/79/948458279.db2.gz XIILOGQVZHNZQA-KSSFIOAISA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)[C@@H]1CCCO1 ZINC001573720924 948536821 /nfs/dbraw/zinc/53/68/21/948536821.db2.gz SXQGZTYNQMWYSI-KDOFPFPSSA-N 0 1 384.484 1.762 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001573729986 948573293 /nfs/dbraw/zinc/57/32/93/948573293.db2.gz XNCMCPBFDPGGSD-CXTNEJHOSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001573729986 948573297 /nfs/dbraw/zinc/57/32/97/948573297.db2.gz XNCMCPBFDPGGSD-CXTNEJHOSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573730071 948575109 /nfs/dbraw/zinc/57/51/09/948575109.db2.gz LTUUSKNDGNHVKN-MGPQQGTHSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573730071 948575117 /nfs/dbraw/zinc/57/51/17/948575117.db2.gz LTUUSKNDGNHVKN-MGPQQGTHSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573731774 948595178 /nfs/dbraw/zinc/59/51/78/948595178.db2.gz YTIMBGZKIIQAHQ-IJLUTSLNSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573745655 948674440 /nfs/dbraw/zinc/67/44/40/948674440.db2.gz GHPALBOBYLYKLR-DCAQKATOSA-N 0 1 380.403 1.209 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574416476 948750637 /nfs/dbraw/zinc/75/06/37/948750637.db2.gz VBKUGFOGTLAVBG-LBPRGKRZSA-N 0 1 381.444 1.170 20 0 GDADMN CC(C)c1ccc(C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)nc1 ZINC001574416488 948750864 /nfs/dbraw/zinc/75/08/64/948750864.db2.gz VJFDWXBAYPWASJ-UHFFFAOYSA-N 0 1 380.456 1.989 20 0 GDADMN CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001574081466 948831027 /nfs/dbraw/zinc/83/10/27/948831027.db2.gz SWNDVJIMGYBVJZ-XJKCOSOUSA-N 0 1 375.452 1.834 20 0 GDADMN C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574918146 948836550 /nfs/dbraw/zinc/83/65/50/948836550.db2.gz GJHRGGXYEDYWNI-GFCCVEGCSA-N 0 1 384.419 1.157 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1CC1(F)F ZINC001574684550 948872233 /nfs/dbraw/zinc/87/22/33/948872233.db2.gz ICEQYJOAZUIZRS-PHDIDXHHSA-N 0 1 377.808 1.939 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C[C@H]1CCCO1 ZINC001574685661 948913990 /nfs/dbraw/zinc/91/39/90/948913990.db2.gz YOMOGAWZUDFUNB-RKDXNWHRSA-N 0 1 385.881 1.852 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573765709 948919477 /nfs/dbraw/zinc/91/94/77/948919477.db2.gz ZJGBDHYQUJMQQD-CQSZACIVSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574432513 948936412 /nfs/dbraw/zinc/93/64/12/948936412.db2.gz LTTPJCHTJOJCDT-LBPRGKRZSA-N 0 1 381.444 1.218 20 0 GDADMN C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574923389 948945224 /nfs/dbraw/zinc/94/52/24/948945224.db2.gz LGUPBNFJXWNYBF-LLVKDONJSA-N 0 1 389.851 1.143 20 0 GDADMN CC(F)(F)CCC(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575238979 948958695 /nfs/dbraw/zinc/95/86/95/948958695.db2.gz OQXZTQHGODAFIP-NWDGAFQWSA-N 0 1 379.415 1.816 20 0 GDADMN CC(C)c1nocc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574441865 949081446 /nfs/dbraw/zinc/08/14/46/949081446.db2.gz DCQCVMSLJLQTOH-UHFFFAOYSA-N 0 1 383.416 1.167 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574092885 949085599 /nfs/dbraw/zinc/08/55/99/949085599.db2.gz UWKIZJNDYPIHFJ-SBDXJAJFSA-N 0 1 382.472 1.210 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574695161 949105227 /nfs/dbraw/zinc/10/52/27/949105227.db2.gz CYWSIQDTMHSSDN-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574695161 949105235 /nfs/dbraw/zinc/10/52/35/949105235.db2.gz CYWSIQDTMHSSDN-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574695161 949105251 /nfs/dbraw/zinc/10/52/51/949105251.db2.gz CYWSIQDTMHSSDN-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574695161 949105262 /nfs/dbraw/zinc/10/52/62/949105262.db2.gz CYWSIQDTMHSSDN-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[NH+]1CCCC1 ZINC001574696232 949123224 /nfs/dbraw/zinc/12/32/24/949123224.db2.gz OCIOYTBHYSTTJK-SECBINFHSA-N 0 1 384.897 1.379 20 0 GDADMN CC(C)c1ocnc1C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574447706 949171944 /nfs/dbraw/zinc/17/19/44/949171944.db2.gz YENKTNVUVKEXQF-UHFFFAOYSA-N 0 1 387.419 1.979 20 0 GDADMN C[C@H](c1cnccn1)N1CCC(C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001575515399 949189972 /nfs/dbraw/zinc/18/99/72/949189972.db2.gz IKBKHHKDTWXJEU-GFCCVEGCSA-N 0 1 381.444 1.330 20 0 GDADMN C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574698499 949193934 /nfs/dbraw/zinc/19/39/34/949193934.db2.gz LTEIAJSYTKSCBK-UONOGXRCSA-N 0 1 381.440 1.410 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574451246 949223113 /nfs/dbraw/zinc/22/31/13/949223113.db2.gz ICFFNGBYFGBVPV-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574451246 949223132 /nfs/dbraw/zinc/22/31/32/949223132.db2.gz ICFFNGBYFGBVPV-JTQLQIEISA-N 0 1 375.458 1.948 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)CC2=CCCCC2)CC1 ZINC001575853981 949224252 /nfs/dbraw/zinc/22/42/52/949224252.db2.gz PQAMGWYOARJYJJ-UHFFFAOYSA-N 0 1 382.472 1.762 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574938159 949242637 /nfs/dbraw/zinc/24/26/37/949242637.db2.gz SYONAPRYJUTKLF-JTQLQIEISA-N 0 1 389.822 1.635 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC001589605470 949253825 /nfs/dbraw/zinc/25/38/25/949253825.db2.gz SBUKRDYTIWTXKF-YVEFUNNKSA-N 0 1 383.470 1.238 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574700035 949254964 /nfs/dbraw/zinc/25/49/64/949254964.db2.gz XYCRGNDJQXKXMN-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576153326 949280673 /nfs/dbraw/zinc/28/06/73/949280673.db2.gz LVCGZAHIPFOWJE-YJYMSZOUSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)CC(=O)N1CCC[C@H]([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574108969 949312487 /nfs/dbraw/zinc/31/24/87/949312487.db2.gz SSASKZQMKARHHJ-LSDHHAIUSA-N 0 1 384.488 1.768 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574455676 949313005 /nfs/dbraw/zinc/31/30/05/949313005.db2.gz WHZWDHZXSJYUOA-XBXGTLAGSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)n1ccc(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001574457344 949328718 /nfs/dbraw/zinc/32/87/18/949328718.db2.gz IEGDNHNDEWNZBP-UHFFFAOYSA-N 0 1 381.444 1.438 20 0 GDADMN C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575259938 949341626 /nfs/dbraw/zinc/34/16/26/949341626.db2.gz SPYGEEXKVLWCLO-SKDRFNHKSA-N 0 1 382.440 1.910 20 0 GDADMN CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575528287 949395240 /nfs/dbraw/zinc/39/52/40/949395240.db2.gz QSTOBDZDZMXWPR-DGAVXFQQSA-N 0 1 380.456 1.130 20 0 GDADMN CC(C)n1cnc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)c1 ZINC001574464101 949396939 /nfs/dbraw/zinc/39/69/39/949396939.db2.gz DUXLMXFGKCSQTG-UHFFFAOYSA-N 0 1 381.444 1.226 20 0 GDADMN C[C@@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574945568 949415214 /nfs/dbraw/zinc/41/52/14/949415214.db2.gz MOUWKHVXUNRTKA-NSHDSACASA-N 0 1 381.444 1.023 20 0 GDADMN C[C@H](CNC(=O)Cc1cscn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574946195 949427713 /nfs/dbraw/zinc/42/77/13/949427713.db2.gz SPTSJDFCUQUMGO-SNVBAGLBSA-N 0 1 375.433 1.299 20 0 GDADMN CC1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575534779 949433410 /nfs/dbraw/zinc/43/34/10/949433410.db2.gz PFEHCKIGPYTRMO-CQSZACIVSA-N 0 1 384.488 1.700 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1=CCCC1 ZINC001576156579 949450644 /nfs/dbraw/zinc/45/06/44/949450644.db2.gz NDQXWCNFYOWNCY-YJYMSZOUSA-N 0 1 382.472 1.666 20 0 GDADMN CC(C)(C)C(=O)NC[C@H]1COCCN1c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573804024 949461974 /nfs/dbraw/zinc/46/19/74/949461974.db2.gz ZYRVUZVOQIPTFH-QMMMGPOBSA-N 0 1 385.881 1.344 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574468518 949464352 /nfs/dbraw/zinc/46/43/52/949464352.db2.gz NJRVRVZNZICHFJ-UHFFFAOYSA-N 0 1 388.501 1.958 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574468518 949464361 /nfs/dbraw/zinc/46/43/61/949464361.db2.gz NJRVRVZNZICHFJ-UHFFFAOYSA-N 0 1 388.501 1.958 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCCCN1C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574708090 949484582 /nfs/dbraw/zinc/48/45/82/949484582.db2.gz SSEDFLVHHKEFFG-BXUZGUMPSA-N 0 1 376.440 1.144 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccn[nH]1 ZINC001576158450 949496901 /nfs/dbraw/zinc/49/69/01/949496901.db2.gz SUJDAVLFPCQDGQ-KPZWWZAWSA-N 0 1 381.444 1.198 20 0 GDADMN CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575537736 949499496 /nfs/dbraw/zinc/49/94/96/949499496.db2.gz ARNFHYGSVNOQSW-ZIAGYGMSSA-N 0 1 382.472 1.664 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575871856 949525484 /nfs/dbraw/zinc/52/54/84/949525484.db2.gz CNTPTQWXBKDAHS-LRDDRELGSA-N 0 1 390.463 1.636 20 0 GDADMN C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001576164277 949554764 /nfs/dbraw/zinc/55/47/64/949554764.db2.gz GOQHPTVSYYAUGC-AYMQEEERSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872708 949558880 /nfs/dbraw/zinc/55/88/80/949558880.db2.gz LAYRDGRHIQPOPR-PNBPBRNGSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164891 949560081 /nfs/dbraw/zinc/56/00/81/949560081.db2.gz IEWVZEJNEDELPG-CHWSQXEVSA-N 0 1 388.451 1.257 20 0 GDADMN C[C@H]1CCCC[C@H]1OCCN1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576165338 949567441 /nfs/dbraw/zinc/56/74/41/949567441.db2.gz JRLUJTBEDWQIHO-SUMWQHHRSA-N 0 1 387.488 1.452 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCCN1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001576165336 949568993 /nfs/dbraw/zinc/56/89/93/949568993.db2.gz JRLUJTBEDWQIHO-DYVFJYSZSA-N 0 1 387.488 1.452 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CCCC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166656 949583188 /nfs/dbraw/zinc/58/31/88/949583188.db2.gz NFEOKCTUEYAIGD-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H]1CCCC[C@H]1OCCN1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001576166673 949591078 /nfs/dbraw/zinc/59/10/78/949591078.db2.gz NIQZEEBJDQPBEJ-SUMWQHHRSA-N 0 1 387.488 1.452 20 0 GDADMN C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575273259 949658283 /nfs/dbraw/zinc/65/82/83/949658283.db2.gz UZSQQXVNEPFFCF-ZIAGYGMSSA-N 0 1 380.456 1.407 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716105 949678019 /nfs/dbraw/zinc/67/80/19/949678019.db2.gz MJWHQPFEYOOWTB-XJKSGUPXSA-N 0 1 390.463 1.902 20 0 GDADMN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCCOC1 ZINC001575552703 949684328 /nfs/dbraw/zinc/68/43/28/949684328.db2.gz IJKGRFLIDZAOQI-SJCJKPOMSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCCOC1 ZINC001575552703 949684342 /nfs/dbraw/zinc/68/43/42/949684342.db2.gz IJKGRFLIDZAOQI-SJCJKPOMSA-N 0 1 376.486 1.435 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001573817790 949708938 /nfs/dbraw/zinc/70/89/38/949708938.db2.gz BBIVFICYGLZZDQ-IHRRRGAJSA-N 0 1 384.488 1.458 20 0 GDADMN CCCCCC[C@](O)(C[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)C(=O)OC ZINC001589644864 949712506 /nfs/dbraw/zinc/71/25/06/949712506.db2.gz CPIOULPECDSLDO-HMZDGZNZSA-N 0 1 399.484 1.447 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574960325 949723237 /nfs/dbraw/zinc/72/32/37/949723237.db2.gz WJEABLVHELDQOM-VNQPRFMTSA-N 0 1 377.452 1.652 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574961015 949735862 /nfs/dbraw/zinc/73/58/62/949735862.db2.gz ZJCNDUQTTYPPAO-LEWSCRJBSA-N 0 1 399.405 1.682 20 0 GDADMN C[C@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CC=CCC1 ZINC001575559054 949747309 /nfs/dbraw/zinc/74/73/09/949747309.db2.gz UHMYHGWPCMBLNY-SIFCLUCFSA-N 0 1 394.483 1.688 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171492 949765908 /nfs/dbraw/zinc/76/59/08/949765908.db2.gz RGBKYKVZVFKQPC-DZGCQCFKSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171492 949765917 /nfs/dbraw/zinc/76/59/17/949765917.db2.gz RGBKYKVZVFKQPC-DZGCQCFKSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@]1(C(=O)N2C[C@H]3CCN(Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)CCOC1 ZINC001575559843 949767931 /nfs/dbraw/zinc/76/79/31/949767931.db2.gz YBWILXMPCYTZQS-MBOZVWFJSA-N 0 1 382.468 1.326 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1ccsc1 ZINC001573820684 949769389 /nfs/dbraw/zinc/76/93/89/949769389.db2.gz YSNLSBOKLSEGJW-GFCCVEGCSA-N 0 1 386.485 1.326 20 0 GDADMN C[C@@H]1CCCC[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576171697 949776411 /nfs/dbraw/zinc/77/64/11/949776411.db2.gz RDBOPFYYVJVJAL-ZIAGYGMSSA-N 0 1 384.488 1.603 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574966007 949836263 /nfs/dbraw/zinc/83/62/63/949836263.db2.gz RODXGYUOBKLFFO-QMMMGPOBSA-N 0 1 392.345 1.329 20 0 GDADMN CC(C)C[C@H](C)CN1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574140505 949836751 /nfs/dbraw/zinc/83/67/51/949836751.db2.gz NYSOADQPHKLFLR-ZDUSSCGKSA-N 0 1 375.477 1.044 20 0 GDADMN C[C@H](CN(C)C(=O)C[NH+]1CCCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574724704 949878284 /nfs/dbraw/zinc/87/82/84/949878284.db2.gz JRJLHCCYQHDPMB-SECBINFHSA-N 0 1 384.897 1.331 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574725872 949913605 /nfs/dbraw/zinc/91/36/05/949913605.db2.gz VMVWMFMTNOCMHP-VIFPVBQESA-N 0 1 386.913 1.576 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574725872 949913627 /nfs/dbraw/zinc/91/36/27/949913627.db2.gz VMVWMFMTNOCMHP-VIFPVBQESA-N 0 1 386.913 1.576 20 0 GDADMN C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180603 949966291 /nfs/dbraw/zinc/96/62/91/949966291.db2.gz FMDJAIFQEURVPZ-GHMZBOCLSA-N 0 1 380.403 1.020 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574490492 949996910 /nfs/dbraw/zinc/99/69/10/949996910.db2.gz SZUUQOZUULRKQW-AVGNSLFASA-N 0 1 380.412 1.233 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576181479 950005357 /nfs/dbraw/zinc/00/53/57/950005357.db2.gz IKLVLCSZVOFJMG-QWHCGFSZSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574490811 950019314 /nfs/dbraw/zinc/01/93/14/950019314.db2.gz ZPAZOZXJWKEQPQ-ACJLOTCBSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182001 950030098 /nfs/dbraw/zinc/03/00/98/950030098.db2.gz KHDFIFUGLXRSEK-KBPBESRZSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H]1CCCc2ncc(C(=O)NCCN(C)c3ccncc3-c3nn[nH]n3)n21 ZINC001576182275 950043948 /nfs/dbraw/zinc/04/39/48/950043948.db2.gz ZAOLCWOWKSVNLC-GFCCVEGCSA-N 0 1 381.444 1.222 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@H]1CCOC1 ZINC001574151051 950056893 /nfs/dbraw/zinc/05/68/93/950056893.db2.gz KDWBRQUYOMMHOK-KGLIPLIRSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@H]1CCOC1 ZINC001574151051 950056914 /nfs/dbraw/zinc/05/69/14/950056914.db2.gz KDWBRQUYOMMHOK-KGLIPLIRSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182736 950058764 /nfs/dbraw/zinc/05/87/64/950058764.db2.gz PDPBIAYDVNIIMF-JSGCOSHPSA-N 0 1 382.428 1.415 20 0 GDADMN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001575575885 950059118 /nfs/dbraw/zinc/05/91/18/950059118.db2.gz MWGDKJNYOMTEPI-GFCCVEGCSA-N 0 1 378.502 1.465 20 0 GDADMN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC001575575885 950059137 /nfs/dbraw/zinc/05/91/37/950059137.db2.gz MWGDKJNYOMTEPI-GFCCVEGCSA-N 0 1 378.502 1.465 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccccc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182771 950065585 /nfs/dbraw/zinc/06/55/85/950065585.db2.gz PGRLRMHXNPQRKG-UKRRQHHQSA-N 0 1 378.440 1.431 20 0 GDADMN CC1(C(=O)NCC2(NCc3ccc(-c4nn[nH]n4)cc3F)CCOCC2)CC1 ZINC001575577059 950080303 /nfs/dbraw/zinc/08/03/03/950080303.db2.gz UVEPOVHMHBPRGZ-UHFFFAOYSA-N 0 1 388.447 1.561 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)[C@@H]1CCCCN1C ZINC001574152446 950104797 /nfs/dbraw/zinc/10/47/97/950104797.db2.gz CJFDEEBTJFHNON-WBVHZDCISA-N 0 1 386.504 1.689 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184057 950113114 /nfs/dbraw/zinc/11/31/14/950113114.db2.gz VNPOPCOGGVOWRA-OCCSQVGLSA-N 0 1 381.444 1.150 20 0 GDADMN CC(C)(C)CC(=O)NCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573839119 950121670 /nfs/dbraw/zinc/12/16/70/950121670.db2.gz LGLIJOXQSLRTPX-UHFFFAOYSA-N 0 1 385.516 1.537 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575582762 950126451 /nfs/dbraw/zinc/12/64/51/950126451.db2.gz GQEBNQSNRSKEAC-KUHUBIRLSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N[C@@H](C)c1cc(F)ccc1F ZINC001574979214 950152625 /nfs/dbraw/zinc/15/26/25/950152625.db2.gz XNNPZOFKIWYZLO-ZJUUUORDSA-N 0 1 375.383 1.942 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccncn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899527 950175008 /nfs/dbraw/zinc/17/50/08/950175008.db2.gz XLRIMUZGDLDGIR-BBRMVZONSA-N 0 1 378.440 1.440 20 0 GDADMN CC1(C(=O)NC[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)CCCO2)CC1 ZINC001575586024 950213983 /nfs/dbraw/zinc/21/39/83/950213983.db2.gz FZJZOOPYZMURGJ-HNNXBMFYSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)(C)CCCN1CCO[C@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573845298 950221850 /nfs/dbraw/zinc/22/18/50/950221850.db2.gz VMOFCMHBFYVHCP-LJQANCHMSA-N 0 1 389.504 1.842 20 0 GDADMN CC1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC(F)(F)C1 ZINC001575588772 950251425 /nfs/dbraw/zinc/25/14/25/950251425.db2.gz RWWHUOFQGQUDNO-SNVBAGLBSA-N 0 1 378.387 1.177 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCOC1 ZINC001575589901 950273416 /nfs/dbraw/zinc/27/34/16/950273416.db2.gz YQGLUUQHKSVKGQ-LIRRHRJNSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCOC1 ZINC001575589901 950273434 /nfs/dbraw/zinc/27/34/34/950273434.db2.gz YQGLUUQHKSVKGQ-LIRRHRJNSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ncccc1[O-] ZINC001575905449 950296214 /nfs/dbraw/zinc/29/62/14/950296214.db2.gz CNCOQKSAVWUZPK-DOMZBBRYSA-N 0 1 379.424 1.360 20 0 GDADMN C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cccn1 ZINC001574499744 950304905 /nfs/dbraw/zinc/30/49/05/950304905.db2.gz WQIINHMERKFRNJ-LBPRGKRZSA-N 0 1 386.485 1.514 20 0 GDADMN C[C@@H](CC(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574499759 950306061 /nfs/dbraw/zinc/30/60/61/950306061.db2.gz WUEAHAUNWVIZKE-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2c[nH]nc2-c2nn[nH]n2)C1 ZINC001573854312 950343504 /nfs/dbraw/zinc/34/35/04/950343504.db2.gz ZZYGVWQWZGDWBW-QMMMGPOBSA-N 0 1 398.374 1.421 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574502275 950371862 /nfs/dbraw/zinc/37/18/62/950371862.db2.gz LJEZVCNDWAZEQB-HOCLYGCPSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnsn1 ZINC001575908602 950373271 /nfs/dbraw/zinc/37/32/71/950373271.db2.gz VPTHKFNMBWXHKV-WCBMZHEXSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cnsn1 ZINC001575908602 950373288 /nfs/dbraw/zinc/37/32/88/950373288.db2.gz VPTHKFNMBWXHKV-WCBMZHEXSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575597859 950419372 /nfs/dbraw/zinc/41/93/72/950419372.db2.gz XXNCFISQNIHDFV-JKDFXYPNSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575597859 950419382 /nfs/dbraw/zinc/41/93/82/950419382.db2.gz XXNCFISQNIHDFV-JKDFXYPNSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575599449 950432212 /nfs/dbraw/zinc/43/22/12/950432212.db2.gz JOYULZSSJZBEJZ-GPMSIDNRSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574750663 950434671 /nfs/dbraw/zinc/43/46/71/950434671.db2.gz FSEBGPJHFIYALJ-LLVKDONJSA-N 0 1 385.497 1.995 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574750663 950434679 /nfs/dbraw/zinc/43/46/79/950434679.db2.gz FSEBGPJHFIYALJ-LLVKDONJSA-N 0 1 385.497 1.995 20 0 GDADMN CC(C)(C)OC(=O)NCC1(O)CCN(Cc2cc(-c3nn[nH]n3)ccn2)CC1 ZINC001573861053 950436145 /nfs/dbraw/zinc/43/61/45/950436145.db2.gz QPILHCHCOZWXPG-UHFFFAOYSA-N 0 1 389.460 1.113 20 0 GDADMN C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576203250 950440405 /nfs/dbraw/zinc/44/04/05/950440405.db2.gz FRGMJBJQKDVDGY-RHSMWYFYSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001574507148 950451186 /nfs/dbraw/zinc/45/11/86/950451186.db2.gz DUDORLHZMCZVFR-CQSZACIVSA-N 0 1 392.467 1.936 20 0 GDADMN C[C@H](C[C@@H](C)Nc1nccnc1-c1nn[n-]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204814 950476270 /nfs/dbraw/zinc/47/62/70/950476270.db2.gz RJZWEIXUHPPKPP-ZIAGYGMSSA-N 0 1 387.492 1.084 20 0 GDADMN CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1)CC1CC1 ZINC001589730751 950504685 /nfs/dbraw/zinc/50/46/85/950504685.db2.gz VKHULADFYPOHKR-SFHVURJKSA-N 0 1 393.528 1.670 20 0 GDADMN CC(C)[C@H](CNC(=O)CN1CCC(C)CC1)Nc1ncccc1-c1nn[nH]n1 ZINC001576205628 950528573 /nfs/dbraw/zinc/52/85/73/950528573.db2.gz LEMGPTPAPUFMAK-INIZCTEOSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574510809 950547205 /nfs/dbraw/zinc/54/72/05/950547205.db2.gz ASAUBVRJXHIVDG-RBSFLKMASA-N 0 1 395.471 1.371 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001576205972 950549360 /nfs/dbraw/zinc/54/93/60/950549360.db2.gz SCLVLXPMZOFEQK-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001576205972 950549375 /nfs/dbraw/zinc/54/93/75/950549375.db2.gz SCLVLXPMZOFEQK-RKDXNWHRSA-N 0 1 384.897 1.235 20 0 GDADMN CC1(C)C(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1(C)C ZINC001575615780 950575669 /nfs/dbraw/zinc/57/56/69/950575669.db2.gz HGDHBAWJOLJRMY-CABCVRRESA-N 0 1 384.484 1.210 20 0 GDADMN CC1CCN(CC(=O)NCC2(Nc3cccc(F)c3-c3nn[nH]n3)CC2)CC1 ZINC001576206820 950584422 /nfs/dbraw/zinc/58/44/22/950584422.db2.gz ZESFOTQLVRLFIZ-UHFFFAOYSA-N 0 1 387.463 1.798 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573870501 950595370 /nfs/dbraw/zinc/59/53/70/950595370.db2.gz XENGBBJFOZIFAU-DZGCQCFKSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574173673 950597564 /nfs/dbraw/zinc/59/75/64/950597564.db2.gz LBVRGURMFNMPCH-LIRRHRJNSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccc2nn[nH]c21)Nc1ncccc1-c1nn[nH]n1 ZINC001574758588 950617747 /nfs/dbraw/zinc/61/77/47/950617747.db2.gz DXYWWRIHKWRRKY-SNVBAGLBSA-N 0 1 378.400 1.106 20 0 GDADMN CC1(C)C(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001575620419 950629856 /nfs/dbraw/zinc/62/98/56/950629856.db2.gz XSVHPCMQLXOHKN-GFCCVEGCSA-N 0 1 384.488 1.672 20 0 GDADMN CC1(C)C=Cc2cccc(NC(=O)NCCn3cnc(-c4nn[nH]n4)n3)c2O1 ZINC001575623352 950647102 /nfs/dbraw/zinc/64/71/02/950647102.db2.gz JXPJNNLKWZASNU-UHFFFAOYSA-N 0 1 381.400 1.464 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924343 950670567 /nfs/dbraw/zinc/67/05/67/950670567.db2.gz FFEQIGAUXAESRQ-ZUZCIYMTSA-N 0 1 385.378 1.677 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccccc1Cl ZINC001575926276 950706678 /nfs/dbraw/zinc/70/66/78/950706678.db2.gz XFBQPKZJVHUXTN-MFKMUULPSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575926676 950717211 /nfs/dbraw/zinc/71/72/11/950717211.db2.gz YCDPIULLNXPKBV-WBMJQRKESA-N 0 1 390.451 1.282 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2ccccc2)o1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575006966 950728800 /nfs/dbraw/zinc/72/88/00/950728800.db2.gz ZFRNEJLVRMYACE-GFCCVEGCSA-N 0 1 390.407 1.569 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576216593 950735643 /nfs/dbraw/zinc/73/56/43/950735643.db2.gz DUJHHFMTJYFYMD-BBRMVZONSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576216599 950736741 /nfs/dbraw/zinc/73/67/41/950736741.db2.gz DUNBUOYATRTIGO-RYUDHWBXSA-N 0 1 391.426 1.625 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575928119 950773292 /nfs/dbraw/zinc/77/32/92/950773292.db2.gz YWTXFNZKNDZSCE-NHYWBVRUSA-N 0 1 391.439 1.066 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576218550 950789447 /nfs/dbraw/zinc/78/94/47/950789447.db2.gz MMJATDVDYPJCQN-GHMZBOCLSA-N 0 1 392.414 1.020 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCC1 ZINC001574522574 950797179 /nfs/dbraw/zinc/79/71/79/950797179.db2.gz KYBUKOXXQXZITJ-VXGBXAGGSA-N 0 1 376.486 1.995 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCC1 ZINC001574522574 950797189 /nfs/dbraw/zinc/79/71/89/950797189.db2.gz KYBUKOXXQXZITJ-VXGBXAGGSA-N 0 1 376.486 1.995 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cnn(C)c1 ZINC001574523476 950820119 /nfs/dbraw/zinc/82/01/19/950820119.db2.gz NWWHSNDLWJWCDZ-RYUDHWBXSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cnn(C)c1 ZINC001574523476 950820141 /nfs/dbraw/zinc/82/01/41/950820141.db2.gz NWWHSNDLWJWCDZ-RYUDHWBXSA-N 0 1 388.501 1.277 20 0 GDADMN CC(C)CCCC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574187860 950837778 /nfs/dbraw/zinc/83/77/78/950837778.db2.gz RSFLMNVBPXJQSE-IBGZPJMESA-N 0 1 384.488 1.912 20 0 GDADMN CCOC(=O)C1=C(C[N@H+](CC(=O)[O-])CC2CC2)NC(=O)N[C@@H]1c1ccco1 ZINC001590179872 950872228 /nfs/dbraw/zinc/87/22/28/950872228.db2.gz UGFWGESLNLAINL-MRXNPFEDSA-N 0 1 377.397 1.247 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576222400 950873559 /nfs/dbraw/zinc/87/35/59/950873559.db2.gz YTMFOCJBQAVKPS-CHWSQXEVSA-N 0 1 384.488 1.411 20 0 GDADMN CC1(C)C[C@H](NC(=O)[C@@H]2CC23CC3)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639661 950879377 /nfs/dbraw/zinc/87/93/77/950879377.db2.gz VQNCERFLWJQIMI-OLZOCXBDSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H]1CN(C(=O)C2(F)CCCCC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576227127 950902846 /nfs/dbraw/zinc/90/28/46/950902846.db2.gz CGNFYIUMWZBKIA-CHWSQXEVSA-N 0 1 388.451 1.400 20 0 GDADMN CC(C)CCCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O ZINC001574190609 950915850 /nfs/dbraw/zinc/91/58/50/950915850.db2.gz ZGZGFEDRVXNWKJ-CABCVRRESA-N 0 1 392.529 1.806 20 0 GDADMN C[C@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576228104 950930707 /nfs/dbraw/zinc/93/07/07/950930707.db2.gz IZEJDCFHLFHYFA-JSGCOSHPSA-N 0 1 382.472 1.308 20 0 GDADMN CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590414039 950951494 /nfs/dbraw/zinc/95/14/94/950951494.db2.gz PSLAXWUVICQVLL-DGCLKSJQSA-N 0 1 382.379 1.706 20 0 GDADMN CCOC(=O)CCCCC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590414039 950951509 /nfs/dbraw/zinc/95/15/09/950951509.db2.gz PSLAXWUVICQVLL-DGCLKSJQSA-N 0 1 382.379 1.706 20 0 GDADMN O=C([O-])CC1([NH2+]Cc2nnc(C(=O)Nc3ccccc3)s2)CCOCC1 ZINC001594984671 951013095 /nfs/dbraw/zinc/01/30/95/951013095.db2.gz JSQFOLSDFYJGPC-UHFFFAOYSA-N 0 1 376.438 1.904 20 0 GDADMN C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024539 951106119 /nfs/dbraw/zinc/10/61/19/951106119.db2.gz GUYDKRLMBQSCKZ-CYBMUJFWSA-N 0 1 390.451 1.871 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](CCCO)C2CC2)c(C(=O)[O-])c1C ZINC001591426852 951141140 /nfs/dbraw/zinc/14/11/40/951141140.db2.gz XNXBRLGJEAWNAS-UHFFFAOYSA-N 0 1 384.454 1.717 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](CCCO)C2CC2)c(C(=O)[O-])c1C ZINC001591426852 951141145 /nfs/dbraw/zinc/14/11/45/951141145.db2.gz XNXBRLGJEAWNAS-UHFFFAOYSA-N 0 1 384.454 1.717 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)c(C(=O)[O-])c1C ZINC001591466393 951144507 /nfs/dbraw/zinc/14/45/07/951144507.db2.gz FHWVYEOVWSNHTG-GFCCVEGCSA-N 0 1 399.469 1.360 20 0 GDADMN C[C@@H](CNC(=O)c1ccccc1O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575028252 951171951 /nfs/dbraw/zinc/17/19/51/951171951.db2.gz MWQNSKGLPYPMCW-ZETCQYMHSA-N 0 1 379.833 1.913 20 0 GDADMN C[C@@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575033817 951228522 /nfs/dbraw/zinc/22/85/22/951228522.db2.gz BUOUOLABBBMXJN-VIFPVBQESA-N 0 1 377.861 1.885 20 0 GDADMN C[C@@H](CNC(=O)c1ccncc1Cl)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575033817 951228533 /nfs/dbraw/zinc/22/85/33/951228533.db2.gz BUOUOLABBBMXJN-VIFPVBQESA-N 0 1 377.861 1.885 20 0 GDADMN CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)[O-] ZINC000389849356 951361848 /nfs/dbraw/zinc/36/18/48/951361848.db2.gz UGVKYZDMQYQGIH-ROUUACIJSA-N 0 1 377.485 1.934 20 0 GDADMN O=C([O-])C1(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000390462008 951380345 /nfs/dbraw/zinc/38/03/45/951380345.db2.gz CUTNZDXTLQAFBL-KRWDZBQOSA-N 0 1 375.469 1.832 20 0 GDADMN C[C@@H](CNC(=O)c1conc1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575058921 951536678 /nfs/dbraw/zinc/53/66/78/951536678.db2.gz WOJHLFCHDHGQQQ-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN CC(C)c1scnc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575067312 951609643 /nfs/dbraw/zinc/60/96/43/951609643.db2.gz RCZRQTNAHFGUNH-JTQLQIEISA-N 0 1 387.473 1.137 20 0 GDADMN C[C@H](CNC(=O)c1ocnc1C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575069014 951639946 /nfs/dbraw/zinc/63/99/46/951639946.db2.gz FLYNHXZCDNNCAV-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNC(=O)c1scnc1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575069180 951642186 /nfs/dbraw/zinc/64/21/86/951642186.db2.gz HBVJHOJIDUGOJA-JTQLQIEISA-N 0 1 384.469 1.496 20 0 GDADMN C[C@@H](CNC(=O)c1sccc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575070567 951652343 /nfs/dbraw/zinc/65/23/43/951652343.db2.gz RMMIONCRNRUFLD-QMMMGPOBSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@@H](CNCc1cc(O)ccc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575079416 951690889 /nfs/dbraw/zinc/69/08/89/951690889.db2.gz DSKFTVMNFVHODB-JTQLQIEISA-N 0 1 389.847 1.804 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575089024 951745777 /nfs/dbraw/zinc/74/57/77/951745777.db2.gz CORIZXCVVJOONK-IGNZVWTISA-N 0 1 388.497 1.339 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575089024 951745779 /nfs/dbraw/zinc/74/57/79/951745779.db2.gz CORIZXCVVJOONK-IGNZVWTISA-N 0 1 388.497 1.339 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575089905 951755119 /nfs/dbraw/zinc/75/51/19/951755119.db2.gz IIAKVADUDQVSOP-YJYMSZOUSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1nccs1 ZINC001575091179 951769924 /nfs/dbraw/zinc/76/99/24/951769924.db2.gz PVYSXJPLKOYSFR-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575091200 951772087 /nfs/dbraw/zinc/77/20/87/951772087.db2.gz QDWQWOZFSRDCCP-KGLIPLIRSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098736 951826532 /nfs/dbraw/zinc/82/65/32/951826532.db2.gz FTIWZQNZAQCSOG-OLZOCXBDSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)C[C@@H]1CCCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098736 951826540 /nfs/dbraw/zinc/82/65/40/951826540.db2.gz FTIWZQNZAQCSOG-OLZOCXBDSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100939 951850475 /nfs/dbraw/zinc/85/04/75/951850475.db2.gz XGEABGLHQQKEOD-DIFFPNOSSA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](CNC(=O)C[C@](C)(O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100939 951850482 /nfs/dbraw/zinc/85/04/82/951850482.db2.gz XGEABGLHQQKEOD-DIFFPNOSSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)n1cc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001575102422 951867116 /nfs/dbraw/zinc/86/71/16/951867116.db2.gz MXYOEUHLRSCAEL-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1cc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001575102422 951867130 /nfs/dbraw/zinc/86/71/30/951867130.db2.gz MXYOEUHLRSCAEL-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575102727 951871364 /nfs/dbraw/zinc/87/13/64/951871364.db2.gz POFWJIAEVKMVDU-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575102727 951871367 /nfs/dbraw/zinc/87/13/67/951871367.db2.gz POFWJIAEVKMVDU-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575131748 952087728 /nfs/dbraw/zinc/08/77/28/952087728.db2.gz AYBJHMABCNLMSX-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575131748 952087735 /nfs/dbraw/zinc/08/77/35/952087735.db2.gz AYBJHMABCNLMSX-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN O=C([O-])Cn1cc(C(=O)N[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC001595142165 952089343 /nfs/dbraw/zinc/08/93/43/952089343.db2.gz LJNOIBNOFKTYNX-INIZCTEOSA-N 0 1 397.357 1.300 20 0 GDADMN O=C([O-])Cn1cc(C(=O)N[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC001595142165 952089351 /nfs/dbraw/zinc/08/93/51/952089351.db2.gz LJNOIBNOFKTYNX-INIZCTEOSA-N 0 1 397.357 1.300 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CCC=CCC1)C1CC1 ZINC001575133872 952108044 /nfs/dbraw/zinc/10/80/44/952108044.db2.gz GXVQLFGOACUICM-LJQANCHMSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1cccs1 ZINC001575142788 952147994 /nfs/dbraw/zinc/14/79/94/952147994.db2.gz LTZPEILWGYUYFE-LBPRGKRZSA-N 0 1 386.485 1.422 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575143805 952157434 /nfs/dbraw/zinc/15/74/34/952157434.db2.gz CSEIAWYCESXATI-CYBMUJFWSA-N 0 1 378.440 1.069 20 0 GDADMN CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001602893174 971808149 /nfs/dbraw/zinc/80/81/49/971808149.db2.gz OJGCPNOPQLUQSB-CQSZACIVSA-N 0 1 385.505 1.792 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575146640 952195696 /nfs/dbraw/zinc/19/56/96/952195696.db2.gz MPWHJOVFCPDSAN-DOMZBBRYSA-N 0 1 379.424 1.119 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CC[N@@H+](CCCC(=O)[O-])C1 ZINC001602895196 971817437 /nfs/dbraw/zinc/81/74/37/971817437.db2.gz XFEGUZZSBNVUJZ-MJBXVCDLSA-N 0 1 383.445 1.366 20 0 GDADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000382560620 971822498 /nfs/dbraw/zinc/82/24/98/971822498.db2.gz TWXXCLIGVREWPS-ZDUSSCGKSA-N 0 1 378.454 1.393 20 0 GDADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000382560620 971822501 /nfs/dbraw/zinc/82/25/01/971822501.db2.gz TWXXCLIGVREWPS-ZDUSSCGKSA-N 0 1 378.454 1.393 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575166300 952324513 /nfs/dbraw/zinc/32/45/13/952324513.db2.gz VCAZTEFFDXGXCY-BDAKNGLRSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnccn1 ZINC001575166704 952328137 /nfs/dbraw/zinc/32/81/37/952328137.db2.gz XNKCDROWYWALNM-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575177128 952397588 /nfs/dbraw/zinc/39/75/88/952397588.db2.gz GSSQZLDRILLGPH-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575177128 952397594 /nfs/dbraw/zinc/39/75/94/952397594.db2.gz GSSQZLDRILLGPH-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN O=C([C@@H]1CC1(F)F)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571115024 952463223 /nfs/dbraw/zinc/46/32/23/952463223.db2.gz QHWXKDNKDDKRFA-BLLLJJGKSA-N 0 1 375.383 1.346 20 0 GDADMN C[C@@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575191737 952468866 /nfs/dbraw/zinc/46/88/66/952468866.db2.gz YMQCONPIZFVFBE-LBPRGKRZSA-N 0 1 384.419 1.227 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575199953 952491535 /nfs/dbraw/zinc/49/15/35/952491535.db2.gz FZWWNRKSTQIZLM-OBJOEFQTSA-N 0 1 381.444 1.170 20 0 GDADMN O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001571119524 952492096 /nfs/dbraw/zinc/49/20/96/952492096.db2.gz BZTHUMBJWMESON-CYBMUJFWSA-N 0 1 375.502 1.992 20 0 GDADMN O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001571119524 952492099 /nfs/dbraw/zinc/49/20/99/952492099.db2.gz BZTHUMBJWMESON-CYBMUJFWSA-N 0 1 375.502 1.992 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001575200391 952495348 /nfs/dbraw/zinc/49/53/48/952495348.db2.gz JACKSTJFHBXTKI-DOMZBBRYSA-N 0 1 383.460 1.416 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)c1-c1nn[n-]n1 ZINC001571122828 952526497 /nfs/dbraw/zinc/52/64/97/952526497.db2.gz MDTQAJBSGHDKDF-NEPJUHHUSA-N 0 1 376.490 1.129 20 0 GDADMN Cc1nsc(NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)c1-c1nn[n-]n1 ZINC001571122828 952526502 /nfs/dbraw/zinc/52/65/02/952526502.db2.gz MDTQAJBSGHDKDF-NEPJUHHUSA-N 0 1 376.490 1.129 20 0 GDADMN CCC[C@H](O)CCNC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC001571127486 952556363 /nfs/dbraw/zinc/55/63/63/952556363.db2.gz KRMSVNVGUJIAGO-ZDUSSCGKSA-N 0 1 377.449 1.047 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC001571128712 952569850 /nfs/dbraw/zinc/56/98/50/952569850.db2.gz WWMRNDWCBMBLTA-SNVBAGLBSA-N 0 1 377.474 1.103 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC001571128712 952569853 /nfs/dbraw/zinc/56/98/53/952569853.db2.gz WWMRNDWCBMBLTA-SNVBAGLBSA-N 0 1 377.474 1.103 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC001571128712 952569855 /nfs/dbraw/zinc/56/98/55/952569855.db2.gz WWMRNDWCBMBLTA-SNVBAGLBSA-N 0 1 377.474 1.103 20 0 GDADMN Cc1ccccc1CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571128667 952570293 /nfs/dbraw/zinc/57/02/93/952570293.db2.gz WIXBMDJTQOSJKD-KSSFIOAISA-N 0 1 377.452 1.494 20 0 GDADMN OC1(C[NH+]2CCCCC2)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001571130871 952582712 /nfs/dbraw/zinc/58/27/12/952582712.db2.gz XLTVKRZAJCMBBE-UHFFFAOYSA-N 0 1 377.880 1.732 20 0 GDADMN OC1(C[NH+]2CCCCC2)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001571130871 952582716 /nfs/dbraw/zinc/58/27/16/952582716.db2.gz XLTVKRZAJCMBBE-UHFFFAOYSA-N 0 1 377.880 1.732 20 0 GDADMN Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)c1 ZINC001571134016 952585424 /nfs/dbraw/zinc/58/54/24/952585424.db2.gz BMCQQPTUVUPNAO-CQSZACIVSA-N 0 1 378.440 1.412 20 0 GDADMN Cc1ccnc(C(=O)NC[C@H]2CCCN2Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571134269 952588291 /nfs/dbraw/zinc/58/82/91/952588291.db2.gz GUOBSESWKOMUGG-MRXNPFEDSA-N 0 1 378.440 1.360 20 0 GDADMN Cc1cc(C)cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1 ZINC001571134866 952596453 /nfs/dbraw/zinc/59/64/53/952596453.db2.gz MABLJTPAXYXQAW-UKRRQHHQSA-N 0 1 378.440 1.528 20 0 GDADMN C[N@H+]1C[C@@H](CNC(=O)Nc2ccc(-c3nn[nH]n3)cn2)[C@H](c2ccccc2)C1 ZINC001571135057 952599905 /nfs/dbraw/zinc/59/99/05/952599905.db2.gz OQXWZKPTSCTDTF-CVEARBPZSA-N 0 1 378.440 1.729 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3ccc(C)c(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135201 952600413 /nfs/dbraw/zinc/60/04/13/952600413.db2.gz RAQZYTKUCXIJTD-CQSZACIVSA-N 0 1 378.440 1.591 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571135287 952601682 /nfs/dbraw/zinc/60/16/82/952601682.db2.gz STDWDFZPJVXSFF-CJNGLKHVSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571141018 952630329 /nfs/dbraw/zinc/63/03/29/952630329.db2.gz FOCKCPNMWFCENY-VXNVDRBHSA-N 0 1 378.849 1.877 20 0 GDADMN O=C(c1ccccn1)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571141957 952637881 /nfs/dbraw/zinc/63/78/81/952637881.db2.gz LUHGWQOMULWWNQ-UHFFFAOYSA-N 0 1 378.440 1.433 20 0 GDADMN Cc1conc1C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142446 952641858 /nfs/dbraw/zinc/64/18/58/952641858.db2.gz WFOSFOPDHIOODJ-HZPDHXFCSA-N 0 1 379.424 1.510 20 0 GDADMN Cc1c[nH]cc1C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571146706 952652537 /nfs/dbraw/zinc/65/25/37/952652537.db2.gz AUUMALGXRHGDSU-FZKQIMNGSA-N 0 1 379.428 1.225 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1-c1nn[n-]n1 ZINC001571152923 952683630 /nfs/dbraw/zinc/68/36/30/952683630.db2.gz LDLZBKMMTIEHOV-SNVBAGLBSA-N 0 1 379.490 1.395 20 0 GDADMN Cc1cc(N(C)[C@@H]2CCN(C(=O)c3ccnc(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156819 952705755 /nfs/dbraw/zinc/70/57/55/952705755.db2.gz KPEHWGRMUUMVIM-CYBMUJFWSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1ccn(C)c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571170884 952789424 /nfs/dbraw/zinc/78/94/24/952789424.db2.gz YPUYMFRXANWLDR-KGLIPLIRSA-N 0 1 380.456 1.436 20 0 GDADMN O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571171737 952796935 /nfs/dbraw/zinc/79/69/35/952796935.db2.gz FMUSLQUOWMQDPM-UMCXVIDHSA-N 0 1 380.456 1.132 20 0 GDADMN C[C@@H](NC(=O)N[C@H](c1cccc(-c2nn[nH]n2)c1)C(F)(F)F)c1nnc[nH]1 ZINC001571171964 952799879 /nfs/dbraw/zinc/79/98/79/952799879.db2.gz JYUJYLITRYWPOX-GMSGAONNSA-N 0 1 381.322 1.649 20 0 GDADMN O=C([C@@H]1CC12CCC2)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571172223 952804625 /nfs/dbraw/zinc/80/46/25/952804625.db2.gz PUQVFPUMYOUOQR-RDBSUJKOSA-N 0 1 380.456 1.132 20 0 GDADMN O=C(NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001571183374 952877398 /nfs/dbraw/zinc/87/73/98/952877398.db2.gz YWOXOPRCAWKENJ-UHFFFAOYSA-N 0 1 381.415 1.795 20 0 GDADMN CCCc1[nH]ccc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001571183475 952878691 /nfs/dbraw/zinc/87/86/91/952878691.db2.gz BEECZYGKNFQOQY-RYUDHWBXSA-N 0 1 381.444 1.074 20 0 GDADMN CCc1cc(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[nH]n3)cn2)n[nH]1 ZINC001571184180 952889472 /nfs/dbraw/zinc/88/94/72/952889472.db2.gz SRKQWXGDNWUPNB-AWEZNQCLSA-N 0 1 381.444 1.288 20 0 GDADMN Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)c1C ZINC001571186302 952906553 /nfs/dbraw/zinc/90/65/53/952906553.db2.gz WDECDGBBZCVJKT-GXTWGEPZSA-N 0 1 381.444 1.034 20 0 GDADMN Cc1cnc([C@H](C)N2CC[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 ZINC001571188595 952916712 /nfs/dbraw/zinc/91/67/12/952916712.db2.gz LMWIVAFVEUQYJK-STQMWFEESA-N 0 1 381.444 1.106 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](C)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC001571189604 952932301 /nfs/dbraw/zinc/93/23/01/952932301.db2.gz YEOYVVMDEQNWQT-QWHCGFSZSA-N 0 1 381.444 1.646 20 0 GDADMN Cc1cc(N2C[C@@H](C)[C@H](NC(=O)c3ncccc3F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571195825 952978561 /nfs/dbraw/zinc/97/85/61/952978561.db2.gz GESYKFNNZQBDDN-QMTHXVAHSA-N 0 1 382.403 1.359 20 0 GDADMN Cc1cc(F)cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1 ZINC001571196088 952980794 /nfs/dbraw/zinc/98/07/94/952980794.db2.gz HGKSKNYSBWEXQG-RISCZKNCSA-N 0 1 382.403 1.501 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)c3ncccc3F)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196927 952984730 /nfs/dbraw/zinc/98/47/30/952984730.db2.gz QAHPPKUOSZYPMO-BONVTDFDSA-N 0 1 382.403 1.099 20 0 GDADMN Cc1c(F)cccc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571197109 952986499 /nfs/dbraw/zinc/98/64/99/952986499.db2.gz SFIQLRUGUQYZMB-GFCCVEGCSA-N 0 1 382.403 1.243 20 0 GDADMN CN(Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC001571197442 952990047 /nfs/dbraw/zinc/99/00/47/952990047.db2.gz ZYKYGDOVMJYOLN-CYBMUJFWSA-N 0 1 382.403 1.142 20 0 GDADMN CCc1noc(C)c1C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571198974 952994857 /nfs/dbraw/zinc/99/48/57/952994857.db2.gz JGBTYDZFWAPIMS-GFCCVEGCSA-N 0 1 382.428 1.259 20 0 GDADMN CCCC(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 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CN1CC[NH+](CC2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)CC1 ZINC000736863094 598961737 /nfs/dbraw/zinc/96/17/37/598961737.db2.gz IIKHTGCWZXJQMU-UHFFFAOYSA-N 0 1 393.499 1.274 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000737031374 598985835 /nfs/dbraw/zinc/98/58/35/598985835.db2.gz HBHALCXYAIECBO-FZMZJTMJSA-N 0 1 387.362 1.642 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000737201502 599035486 /nfs/dbraw/zinc/03/54/86/599035486.db2.gz TVCQVKSJLQCWFU-CQSZACIVSA-N 0 1 387.488 1.317 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000737201502 599035489 /nfs/dbraw/zinc/03/54/89/599035489.db2.gz TVCQVKSJLQCWFU-CQSZACIVSA-N 0 1 387.488 1.317 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000737201502 599035492 /nfs/dbraw/zinc/03/54/92/599035492.db2.gz TVCQVKSJLQCWFU-CQSZACIVSA-N 0 1 387.488 1.317 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)c2ccc(C)o2)cc1-c1nn[nH]n1 ZINC000737187325 599056225 /nfs/dbraw/zinc/05/62/25/599056225.db2.gz QFJSBCLOKGWGHN-SNVBAGLBSA-N 0 1 376.398 1.054 20 0 GDADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCCN(c2ccccc2)CC1 ZINC000737738428 599071048 /nfs/dbraw/zinc/07/10/48/599071048.db2.gz JCSLPJPPTBOSQI-SFHVURJKSA-N 0 1 377.452 1.605 20 0 GDADMN C[C@H](CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc2C1 ZINC000736026592 599088694 /nfs/dbraw/zinc/08/86/94/599088694.db2.gz VBYJMRVVBAHKKD-AUUYWEPGSA-N 0 1 391.479 1.430 20 0 GDADMN COc1ccc(CCN[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000737090130 599096135 /nfs/dbraw/zinc/09/61/35/599096135.db2.gz ILAMUCIGZYFCSE-KRWDZBQOSA-N 0 1 382.424 1.243 20 0 GDADMN NC(=O)[C@@H](N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730775 599182052 /nfs/dbraw/zinc/18/20/52/599182052.db2.gz LGDXPLKKZBALRE-AEFFLSMTSA-N 0 1 395.442 1.791 20 0 GDADMN CCOCCN1CCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@@H]1CC ZINC000736617357 599218247 /nfs/dbraw/zinc/21/82/47/599218247.db2.gz DPQWTRLOKGHUFP-KRWDZBQOSA-N 0 1 387.488 1.509 20 0 GDADMN O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737953258 599223698 /nfs/dbraw/zinc/22/36/98/599223698.db2.gz JMAOUDRTYORLBI-UHFFFAOYSA-N 0 1 379.409 1.778 20 0 GDADMN CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N(C)CCC(=O)[O-])cc2)CC1 ZINC000818207318 596987164 /nfs/dbraw/zinc/98/71/64/596987164.db2.gz ATQJLFCSYWIOQZ-UHFFFAOYSA-N 0 1 376.457 1.332 20 0 GDADMN C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000820620394 597421164 /nfs/dbraw/zinc/42/11/64/597421164.db2.gz LVOSERQCIJKFBA-PKOBYXMFSA-N 0 1 381.432 1.814 20 0 GDADMN COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000263577362 597431307 /nfs/dbraw/zinc/43/13/07/597431307.db2.gz RLSRUGLOGZCBSQ-IBGZPJMESA-N 0 1 389.496 1.669 20 0 GDADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000819513263 597454772 /nfs/dbraw/zinc/45/47/72/597454772.db2.gz IKJIQLPMAWYOAA-ZIAGYGMSSA-N 0 1 380.466 1.835 20 0 GDADMN O=C([O-])c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000821463180 598021831 /nfs/dbraw/zinc/02/18/31/598021831.db2.gz APINNHKFMVCZNA-GUYCJALGSA-N 0 1 389.427 1.938 20 0 GDADMN C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCCCCCC2)C1=O ZINC000736225116 598233106 /nfs/dbraw/zinc/23/31/06/598233106.db2.gz VVDSLNDPVPYCHT-LJQANCHMSA-N 0 1 383.456 1.857 20 0 GDADMN COc1ccccc1OCCC[NH2+]Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000737152096 598284841 /nfs/dbraw/zinc/28/48/41/598284841.db2.gz NUMWWFSWFCGIOR-UHFFFAOYSA-N 0 1 380.412 1.477 20 0 GDADMN COc1ccccc1OCCC[NH2+]Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000737152096 598284842 /nfs/dbraw/zinc/28/48/42/598284842.db2.gz NUMWWFSWFCGIOR-UHFFFAOYSA-N 0 1 380.412 1.477 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1-c1nn[nH]n1 ZINC000737188034 598302606 /nfs/dbraw/zinc/30/26/06/598302606.db2.gz WHQLQXWUSMWWNS-LLVKDONJSA-N 0 1 386.441 1.780 20 0 GDADMN Cc1nc(SCC(=O)N[C@H]2CCCN(C)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737482565 598341702 /nfs/dbraw/zinc/34/17/02/598341702.db2.gz IMISGXAZYVMESY-ZDUSSCGKSA-N 0 1 375.502 1.489 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc3oc(=O)n(C)c3c2)cc1-c1nn[nH]n1 ZINC000737186073 598359735 /nfs/dbraw/zinc/35/97/35/598359735.db2.gz FWVHSAVZVWQITL-UHFFFAOYSA-N 0 1 399.392 1.386 20 0 GDADMN NC(=O)CC[C@H]1CCCN(Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000737749581 598423903 /nfs/dbraw/zinc/42/39/03/598423903.db2.gz XLDKECIZXCJZDF-CQSZACIVSA-N 0 1 380.456 1.665 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000737546224 598498155 /nfs/dbraw/zinc/49/81/55/598498155.db2.gz AZTNHXZTZBLSGG-CQSZACIVSA-N 0 1 381.440 1.773 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000737546224 598498156 /nfs/dbraw/zinc/49/81/56/598498156.db2.gz AZTNHXZTZBLSGG-CQSZACIVSA-N 0 1 381.440 1.773 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000737546224 598498157 /nfs/dbraw/zinc/49/81/57/598498157.db2.gz AZTNHXZTZBLSGG-CQSZACIVSA-N 0 1 381.440 1.773 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000737546224 598498159 /nfs/dbraw/zinc/49/81/59/598498159.db2.gz AZTNHXZTZBLSGG-CQSZACIVSA-N 0 1 381.440 1.773 20 0 GDADMN CN1CCN(C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)c2ccccc2)CC1 ZINC000736864138 598500014 /nfs/dbraw/zinc/50/00/14/598500014.db2.gz PQHPPEJMIJSYHF-LJQANCHMSA-N 0 1 391.479 1.585 20 0 GDADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCC(c2ccccc2)=N1 ZINC000737982795 598503521 /nfs/dbraw/zinc/50/35/21/598503521.db2.gz QWHPWTHGMXRIEC-UHFFFAOYSA-N 0 1 399.414 1.818 20 0 GDADMN O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCN2CCCC[C@H]2C1 ZINC000737788941 598596959 /nfs/dbraw/zinc/59/69/59/598596959.db2.gz ABONRKSONBUEBQ-ROUUACIJSA-N 0 1 381.484 1.532 20 0 GDADMN CC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000736569390 598625957 /nfs/dbraw/zinc/62/59/57/598625957.db2.gz HKJSATXHSSMOFP-AWEZNQCLSA-N 0 1 387.488 1.507 20 0 GDADMN CC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736569390 598625959 /nfs/dbraw/zinc/62/59/59/598625959.db2.gz HKJSATXHSSMOFP-AWEZNQCLSA-N 0 1 387.488 1.507 20 0 GDADMN CC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736569390 598625961 /nfs/dbraw/zinc/62/59/61/598625961.db2.gz HKJSATXHSSMOFP-AWEZNQCLSA-N 0 1 387.488 1.507 20 0 GDADMN C[C@@H]1CN(CCCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)O1 ZINC000736287443 598664302 /nfs/dbraw/zinc/66/43/02/598664302.db2.gz PDGHSPIRKLBSTD-ZIAGYGMSSA-N 0 1 390.513 1.574 20 0 GDADMN CCn1cc(CN2CCCN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CC2)cn1 ZINC000736723925 598673679 /nfs/dbraw/zinc/67/36/79/598673679.db2.gz XJOJTOZAWQHDLQ-UHFFFAOYSA-N 0 1 393.499 1.679 20 0 GDADMN CNC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000736870316 598705268 /nfs/dbraw/zinc/70/52/68/598705268.db2.gz HRAUDQDTGCDBRH-GHMZBOCLSA-N 0 1 391.863 1.305 20 0 GDADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000737981226 598719856 /nfs/dbraw/zinc/71/98/56/598719856.db2.gz KGUXYAKUKRKGEI-IAGOWNOFSA-N 0 1 394.435 1.352 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cnn(C(C)C)c2)cc1-c1nn[nH]n1 ZINC000737188055 598779998 /nfs/dbraw/zinc/77/99/98/598779998.db2.gz XBVPFSOVEJKUIP-SECBINFHSA-N 0 1 388.457 1.958 20 0 GDADMN COC(=O)c1coc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1 ZINC000736957508 598789161 /nfs/dbraw/zinc/78/91/61/598789161.db2.gz RHHRNDVJGXNOCU-UHFFFAOYSA-N 0 1 379.332 1.444 20 0 GDADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000737486802 599319864 /nfs/dbraw/zinc/31/98/64/599319864.db2.gz FFBFIHBAIONUSR-LBPRGKRZSA-N 0 1 397.487 1.059 20 0 GDADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000737486802 599319866 /nfs/dbraw/zinc/31/98/66/599319866.db2.gz FFBFIHBAIONUSR-LBPRGKRZSA-N 0 1 397.487 1.059 20 0 GDADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000737486802 599319869 /nfs/dbraw/zinc/31/98/69/599319869.db2.gz FFBFIHBAIONUSR-LBPRGKRZSA-N 0 1 397.487 1.059 20 0 GDADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000737486802 599319873 /nfs/dbraw/zinc/31/98/73/599319873.db2.gz FFBFIHBAIONUSR-LBPRGKRZSA-N 0 1 397.487 1.059 20 0 GDADMN C[C@H](C(=O)NCCNc1ncccc1-c1nn[nH]n1)N(C)Cc1ccccc1 ZINC000735537700 599351070 /nfs/dbraw/zinc/35/10/70/599351070.db2.gz RBUJSXDRVDPVSS-CQSZACIVSA-N 0 1 380.456 1.310 20 0 GDADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822496279 599396321 /nfs/dbraw/zinc/39/63/21/599396321.db2.gz HWNJERYEPNEENN-CYBMUJFWSA-N 0 1 382.472 1.596 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1-c1nn[nH]n1 ZINC000821978803 599456531 /nfs/dbraw/zinc/45/65/31/599456531.db2.gz MZAZFQQPJYHCJM-AXTRIDKLSA-N 0 1 390.469 1.623 20 0 GDADMN CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820993699 599463131 /nfs/dbraw/zinc/46/31/31/599463131.db2.gz ANBLPWLNXUVKIX-TZMCWYRMSA-N 0 1 382.490 1.388 20 0 GDADMN 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O=S(=O)(N[C@H]1CCCc2[nH]ccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572261 606896019 /nfs/dbraw/zinc/89/60/19/606896019.db2.gz FPPIFOOMAQSKAR-ZDUSSCGKSA-N 0 1 380.380 1.829 20 0 GDADMN COc1ccc(OC)c(CN(CCO)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821841663 606897921 /nfs/dbraw/zinc/89/79/21/606897921.db2.gz LDHHJJOKLDOYLV-SFHVURJKSA-N 0 1 399.451 1.412 20 0 GDADMN CCCN(CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821099595 606919152 /nfs/dbraw/zinc/91/91/52/606919152.db2.gz KICLROZMTKSQAE-HNNXBMFYSA-N 0 1 379.486 1.535 20 0 GDADMN Cc1c(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)cnn1C ZINC000822028088 607102046 /nfs/dbraw/zinc/10/20/46/607102046.db2.gz KVMQGBSOVFWXDE-UHFFFAOYSA-N 0 1 395.427 1.479 20 0 GDADMN O=C(Cc1ccc(O)cc1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000823082162 607142716 /nfs/dbraw/zinc/14/27/16/607142716.db2.gz BWQPMBCCUOZJLY-UHFFFAOYSA-N 0 1 395.423 1.329 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1-c1nn[nH]n1 ZINC000821970469 607159853 /nfs/dbraw/zinc/15/98/53/607159853.db2.gz OCGKYIXXPSHZTB-QGHHPUGFSA-N 0 1 390.469 1.456 20 0 GDADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000823313497 607202981 /nfs/dbraw/zinc/20/29/81/607202981.db2.gz CQUYHSIODIBKJO-CABCVRRESA-N 0 1 391.863 1.583 20 0 GDADMN CC(C)c1nc(-c2ccccc2NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n[nH]1 ZINC000820197445 607209258 /nfs/dbraw/zinc/20/92/58/607209258.db2.gz IWBZTCLHJYSJRT-UHFFFAOYSA-N 0 1 379.388 1.005 20 0 GDADMN CN(C)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(C(F)(F)F)c1 ZINC000821589597 607209538 /nfs/dbraw/zinc/20/95/38/607209538.db2.gz VLPCFEAJVVPJPC-UHFFFAOYSA-N 0 1 381.322 1.182 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000823136304 607209716 /nfs/dbraw/zinc/20/97/16/607209716.db2.gz UTTNABRMMAFWMA-UHFFFAOYSA-N 0 1 390.411 1.297 20 0 GDADMN Cc1csc(Nc2cccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2)n1 ZINC000822414500 607209749 /nfs/dbraw/zinc/20/97/49/607209749.db2.gz HZTCNEXCMHDNLH-UHFFFAOYSA-N 0 1 382.413 1.605 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000823136360 607210994 /nfs/dbraw/zinc/21/09/94/607210994.db2.gz XOIYEZHLMDBVQO-UHFFFAOYSA-N 0 1 397.786 1.938 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000823123350 607213877 /nfs/dbraw/zinc/21/38/77/607213877.db2.gz XLDSZUMZKFIMRR-UHFFFAOYSA-N 0 1 394.439 1.365 20 0 GDADMN COc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OC1CCCC1 ZINC000821798991 607214382 /nfs/dbraw/zinc/21/43/82/607214382.db2.gz WYFMSBXVTRRNPU-UHFFFAOYSA-N 0 1 398.427 1.105 20 0 GDADMN CCCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000821083257 607218796 /nfs/dbraw/zinc/21/87/96/607218796.db2.gz WLPMNYZMMWSLDE-KGLIPLIRSA-N 0 1 388.476 1.435 20 0 GDADMN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820819326 607223569 /nfs/dbraw/zinc/22/35/69/607223569.db2.gz HOEQGJAHLURIEM-MRVPVSSYSA-N 0 1 393.238 1.911 20 0 GDADMN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821623524 607230588 /nfs/dbraw/zinc/23/05/88/607230588.db2.gz MOJZWOJSMRHKTL-WCQYABFASA-N 0 1 396.904 1.625 20 0 GDADMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821623524 607230589 /nfs/dbraw/zinc/23/05/89/607230589.db2.gz MOJZWOJSMRHKTL-WCQYABFASA-N 0 1 396.904 1.625 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000823123247 607235288 /nfs/dbraw/zinc/23/52/88/607235288.db2.gz UMBDQGVVUSYVFN-LLVKDONJSA-N 0 1 399.484 1.200 20 0 GDADMN c1cn(C[C@@H]2CCCN(Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)nn1 ZINC000826524642 607784192 /nfs/dbraw/zinc/78/41/92/607784192.db2.gz DAIQADUHMSLBJO-OAHLLOKOSA-N 0 1 390.455 1.691 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000826280264 607813375 /nfs/dbraw/zinc/81/33/75/607813375.db2.gz UXZGETRZPQVGPZ-UHFFFAOYSA-N 0 1 382.409 1.761 20 0 GDADMN O=C1C[C@H](N2CC[C@@H](C3CCOCC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000826478459 607843349 /nfs/dbraw/zinc/84/33/49/607843349.db2.gz BTUCCGCBQNHHOA-WBVHZDCISA-N 0 1 396.451 1.247 20 0 GDADMN CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000823975512 607857633 /nfs/dbraw/zinc/85/76/33/607857633.db2.gz YYQFDQOUJLKRMR-LBPRGKRZSA-N 0 1 391.863 1.259 20 0 GDADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N(C)C[C@H]1CCC[C@H]1O ZINC000824051772 607859617 /nfs/dbraw/zinc/85/96/17/607859617.db2.gz DKNJHCRBHBMULM-NQBHXWOUSA-N 0 1 390.513 1.837 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826073308 608020142 /nfs/dbraw/zinc/02/01/42/608020142.db2.gz NJPMHFCPOLYHGK-UHFFFAOYSA-N 0 1 394.361 1.611 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(F)(F)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826073308 608020143 /nfs/dbraw/zinc/02/01/43/608020143.db2.gz NJPMHFCPOLYHGK-UHFFFAOYSA-N 0 1 394.361 1.611 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826077362 608020667 /nfs/dbraw/zinc/02/06/67/608020667.db2.gz FPZBRBDRGIFWCB-UHFFFAOYSA-N 0 1 382.428 1.343 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826077362 608020668 /nfs/dbraw/zinc/02/06/68/608020668.db2.gz FPZBRBDRGIFWCB-UHFFFAOYSA-N 0 1 382.428 1.343 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826077719 608021517 /nfs/dbraw/zinc/02/15/17/608021517.db2.gz ROFGGRCCEBBJIH-UHFFFAOYSA-N 0 1 392.370 1.038 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826077719 608021518 /nfs/dbraw/zinc/02/15/18/608021518.db2.gz ROFGGRCCEBBJIH-UHFFFAOYSA-N 0 1 392.370 1.038 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)ccc(F)c2OC)c1-c1nnn[n-]1 ZINC000826077116 608023160 /nfs/dbraw/zinc/02/31/60/608023160.db2.gz AKXKAAAVAMZMPN-UHFFFAOYSA-N 0 1 392.370 1.281 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)ccc(F)c2OC)c1-c1nn[n-]n1 ZINC000826077116 608023161 /nfs/dbraw/zinc/02/31/61/608023161.db2.gz AKXKAAAVAMZMPN-UHFFFAOYSA-N 0 1 392.370 1.281 20 0 GDADMN O=C(CCN1CCN(c2cncc(F)c2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407744 608041459 /nfs/dbraw/zinc/04/14/59/608041459.db2.gz ZCDZXFMJMCRVQW-UHFFFAOYSA-N 0 1 396.430 1.552 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)n[nH]1 ZINC000824359651 608097133 /nfs/dbraw/zinc/09/71/33/608097133.db2.gz ZITBNUAHZNSJJS-QMMMGPOBSA-N 0 1 396.864 1.801 20 0 GDADMN CSCC[C@H](O)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826228751 608215778 /nfs/dbraw/zinc/21/57/78/608215778.db2.gz YWXHRXIMMQTDQS-INIZCTEOSA-N 0 1 390.513 1.015 20 0 GDADMN Cc1cccc2nc(CNS(=O)(=O)Cc3cccc(-c4nn[nH]n4)c3)[nH]c21 ZINC000826304237 608238780 /nfs/dbraw/zinc/23/87/80/608238780.db2.gz DDUCKAFDOZQQFS-UHFFFAOYSA-N 0 1 383.437 1.671 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000826424805 608251174 /nfs/dbraw/zinc/25/11/74/608251174.db2.gz DHLMARVKKLNGOC-UHFFFAOYSA-N 0 1 388.382 1.712 20 0 GDADMN C[C@H](CCO)N(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000824406322 608267761 /nfs/dbraw/zinc/26/77/61/608267761.db2.gz HKKBZCMTCDRHKU-MRXNPFEDSA-N 0 1 394.479 1.756 20 0 GDADMN Cc1nc(SCC(=O)N[C@H]2CCc3[nH]cnc3C2)c(-c2nn[nH]n2)c(C)c1C ZINC000826327489 608276803 /nfs/dbraw/zinc/27/68/03/608276803.db2.gz JSHLVBCJXSWFJH-LBPRGKRZSA-N 0 1 398.496 1.676 20 0 GDADMN COC(=O)[C@H]1C[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000826132635 608313866 /nfs/dbraw/zinc/31/38/66/608313866.db2.gz FOSBRVQXMYTTON-DOMZBBRYSA-N 0 1 381.440 1.602 20 0 GDADMN COC(=O)[C@H]1C[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000826132635 608313867 /nfs/dbraw/zinc/31/38/67/608313867.db2.gz FOSBRVQXMYTTON-DOMZBBRYSA-N 0 1 381.440 1.602 20 0 GDADMN COC(=O)[C@H]1C[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000826132635 608313869 /nfs/dbraw/zinc/31/38/69/608313869.db2.gz FOSBRVQXMYTTON-DOMZBBRYSA-N 0 1 381.440 1.602 20 0 GDADMN COC(=O)[C@H]1C[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000826132635 608313871 /nfs/dbraw/zinc/31/38/71/608313871.db2.gz FOSBRVQXMYTTON-DOMZBBRYSA-N 0 1 381.440 1.602 20 0 GDADMN COC(=O)[C@H]1C[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000826132638 608313988 /nfs/dbraw/zinc/31/39/88/608313988.db2.gz FOSBRVQXMYTTON-WFASDCNBSA-N 0 1 381.440 1.602 20 0 GDADMN COC(=O)[C@H]1C[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000826132638 608313990 /nfs/dbraw/zinc/31/39/90/608313990.db2.gz FOSBRVQXMYTTON-WFASDCNBSA-N 0 1 381.440 1.602 20 0 GDADMN COC(=O)[C@H]1C[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000826132638 608313992 /nfs/dbraw/zinc/31/39/92/608313992.db2.gz FOSBRVQXMYTTON-WFASDCNBSA-N 0 1 381.440 1.602 20 0 GDADMN COC(=O)[C@H]1C[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000826132638 608313994 /nfs/dbraw/zinc/31/39/94/608313994.db2.gz FOSBRVQXMYTTON-WFASDCNBSA-N 0 1 381.440 1.602 20 0 GDADMN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)CCN1C[C@H](C)O ZINC000825203987 608337294 /nfs/dbraw/zinc/33/72/94/608337294.db2.gz OTUNZCFEMXSGRD-JJRVBVJISA-N 0 1 387.488 1.414 20 0 GDADMN 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/nfs/dbraw/zinc/45/91/76/945459176.db2.gz QMBLWILZKGFYAT-UHFFFAOYSA-N 0 1 385.457 1.211 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CN(C(=O)C(C)(C)C2CC2)CCO1 ZINC001571263627 945463356 /nfs/dbraw/zinc/46/33/56/945463356.db2.gz VHWAPVBQMONKTI-WBMJQRKESA-N 0 1 385.472 1.148 20 0 GDADMN Cc1cc(N2CC[C@]3(CCN(C(=O)[C@H](O)C(C)C)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264295 945479999 /nfs/dbraw/zinc/47/99/99/945479999.db2.gz KLKGRHJBEOAXGK-APWZRJJASA-N 0 1 385.472 1.016 20 0 GDADMN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571264259 945480102 /nfs/dbraw/zinc/48/01/02/945480102.db2.gz JYLMDQGMKYTXTE-WBOJAVRRSA-N 0 1 385.472 1.265 20 0 GDADMN Cc1cc(N(C)C[C@H]2CCN(C(=O)[C@H]3CCCOC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264807 945493818 /nfs/dbraw/zinc/49/38/18/945493818.db2.gz XUWGHJQVJGKRKF-CABCVRRESA-N 0 1 385.472 1.281 20 0 GDADMN O=C(COC1CCCC1)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571265099 945499467 /nfs/dbraw/zinc/49/94/67/945499467.db2.gz CFUQNWODPYMOJH-CQSZACIVSA-N 0 1 385.472 1.436 20 0 GDADMN CC(C)(C)C(=O)N1CCO[C@H](CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571265355 945506683 /nfs/dbraw/zinc/50/66/83/945506683.db2.gz IAFAFBZVCTXYLZ-MRVPVSSYSA-N 0 1 385.881 1.662 20 0 GDADMN CO[C@@H](C)C(=O)N1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C(C)(C)C1 ZINC001571265479 945512171 /nfs/dbraw/zinc/51/21/71/945512171.db2.gz KWIWWKAETQSCEY-JGVFFNPUSA-N 0 1 385.881 1.660 20 0 GDADMN O=C(CC1CCOCC1)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571266379 945538384 /nfs/dbraw/zinc/53/83/84/945538384.db2.gz PMVYCPBRYKVVFS-OAHLLOKOSA-N 0 1 385.472 1.293 20 0 GDADMN Cc1cc(NC[C@H]2CCCN2C(=O)CC[C@H]2CCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266514 945545884 /nfs/dbraw/zinc/54/58/84/945545884.db2.gz SRBYLJWIYWUUIU-HUUCEWRRSA-N 0 1 385.472 1.354 20 0 GDADMN Cc1cc(NC2CC(N(C)C(=O)[C@H]3CCCOCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266732 945553002 /nfs/dbraw/zinc/55/30/02/945553002.db2.gz YCVZWCFCSKEQAV-NFOMZHRRSA-N 0 1 385.472 1.210 20 0 GDADMN Cc1nonc1C(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571268019 945585899 /nfs/dbraw/zinc/58/58/99/945585899.db2.gz LJADKFMLONNOER-TVQRCGJNSA-N 0 1 386.391 1.090 20 0 GDADMN O=C([C@@H]1CCOC1)N1CC[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571269199 945613701 /nfs/dbraw/zinc/61/37/01/945613701.db2.gz RZUAURIUMQVPJJ-JJRVBVJISA-N 0 1 386.431 1.075 20 0 GDADMN Cc1nc(CN[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(C)s1 ZINC001571271533 945645176 /nfs/dbraw/zinc/64/51/76/945645176.db2.gz CPXFYAGLYZCFNJ-GFCCVEGCSA-N 0 1 386.485 1.663 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279864 945790884 /nfs/dbraw/zinc/79/08/84/945790884.db2.gz YCKUJGLTYNTSKU-PWSUYJOCSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1ccc(F)cn1 ZINC001571279864 945790889 /nfs/dbraw/zinc/79/08/89/945790889.db2.gz YCKUJGLTYNTSKU-PWSUYJOCSA-N 0 1 387.444 1.855 20 0 GDADMN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571281787 945811928 /nfs/dbraw/zinc/81/19/28/945811928.db2.gz NTHPWVVKLLHNMU-MFKMUULPSA-N 0 1 387.473 1.219 20 0 GDADMN C[C@@H](NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C)c1csnn1 ZINC001571281720 945815003 /nfs/dbraw/zinc/81/50/03/945815003.db2.gz MOJYQUZRVXGTOQ-CKYFFXLPSA-N 0 1 387.473 1.105 20 0 GDADMN CCc1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2C)no1 ZINC001571282261 945834763 /nfs/dbraw/zinc/83/47/63/945834763.db2.gz WDYXNBYMMOWFDX-QMTHXVAHSA-N 0 1 387.469 1.729 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccc(Cl)s1 ZINC001571285317 945912720 /nfs/dbraw/zinc/91/27/20/945912720.db2.gz AZLDBKMGEDDHLR-MSRIBSCDSA-N 0 1 387.856 1.841 20 0 GDADMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@H](CO)C2)c1-c1nn[nH]n1 ZINC000822016042 945920993 /nfs/dbraw/zinc/92/09/93/945920993.db2.gz UKCHTQDWJHTFOF-HNNXBMFYSA-N 0 1 395.467 1.527 20 0 GDADMN Cc1cc(C)cc([C@@H](O)CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000822196273 945980622 /nfs/dbraw/zinc/98/06/22/945980622.db2.gz BWRUPZONZSDREV-SFHVURJKSA-N 0 1 379.468 1.734 20 0 GDADMN O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1sccc1F ZINC001571288967 945994873 /nfs/dbraw/zinc/99/48/73/945994873.db2.gz VOCLTNHVPRVCCA-UWVGGRQHSA-N 0 1 388.432 1.432 20 0 GDADMN O=C(CN1CCCC1)N[C@@H]1CCC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1F ZINC001571290131 946028965 /nfs/dbraw/zinc/02/89/65/946028965.db2.gz VUOGYGWIBASZAR-IUODEOHRSA-N 0 1 388.451 1.193 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571290517 946044443 /nfs/dbraw/zinc/04/44/43/946044443.db2.gz HXIORFAGUATWMK-NXEZZACHSA-N 0 1 388.819 1.288 20 0 GDADMN O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290486 946044483 /nfs/dbraw/zinc/04/44/83/946044483.db2.gz GMSPHUDPEQHIKE-NXEZZACHSA-N 0 1 388.819 1.336 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)[C@H]1CCCC(F)(F)C1 ZINC001571291249 946070940 /nfs/dbraw/zinc/07/09/40/946070940.db2.gz HHLXZKONJPLVAM-MUYACECFSA-N 0 1 389.410 1.638 20 0 GDADMN Cc1nnc(SCC(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)[nH]1 ZINC000822418914 946083432 /nfs/dbraw/zinc/08/34/32/946083432.db2.gz JIBFKAXASRWYBM-UHFFFAOYSA-N 0 1 399.484 1.124 20 0 GDADMN COc1nc(C(=O)N[C@]2(C)CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)co1 ZINC001571293579 946112055 /nfs/dbraw/zinc/11/20/55/946112055.db2.gz LRMNIDDPOFIYQR-MRXNPFEDSA-N 0 1 389.441 1.319 20 0 GDADMN Cc1sc(NC(=O)CN2CCN3CCCC[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC000822557770 946126492 /nfs/dbraw/zinc/12/64/92/946126492.db2.gz JVWHGLASGSPLJN-ZDUSSCGKSA-N 0 1 375.502 1.654 20 0 GDADMN O=C(CCc1cncs1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571295018 946152985 /nfs/dbraw/zinc/15/29/85/946152985.db2.gz NPRXAHJBEDBESV-LLVKDONJSA-N 0 1 389.510 1.708 20 0 GDADMN O=C(CCc1cncs1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571295018 946152990 /nfs/dbraw/zinc/15/29/90/946152990.db2.gz NPRXAHJBEDBESV-LLVKDONJSA-N 0 1 389.510 1.708 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1csc(Cl)n1 ZINC001571295123 946155011 /nfs/dbraw/zinc/15/50/11/946155011.db2.gz UHZJCEAYTJENST-GFCCVEGCSA-N 0 1 389.872 1.981 20 0 GDADMN C[C@H]1CN(C(=O)c2csnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571298503 946218591 /nfs/dbraw/zinc/21/85/91/946218591.db2.gz PMNVTDZEAOVKGI-UWVGGRQHSA-N 0 1 390.498 1.278 20 0 GDADMN C[C@H]1CN(C(=O)c2csnn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571298503 946218602 /nfs/dbraw/zinc/21/86/02/946218602.db2.gz PMNVTDZEAOVKGI-UWVGGRQHSA-N 0 1 390.498 1.278 20 0 GDADMN CN1CCC[C@H]1C(=O)NC1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001571298740 946227880 /nfs/dbraw/zinc/22/78/80/946227880.db2.gz CVCBPNQORWNHJN-AWEZNQCLSA-N 0 1 390.879 1.094 20 0 GDADMN O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571299077 946237090 /nfs/dbraw/zinc/23/70/90/946237090.db2.gz UGKSCMHTHOELPZ-JKSUJKDBSA-N 0 1 390.451 1.285 20 0 GDADMN CN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)C1 ZINC001571299144 946241377 /nfs/dbraw/zinc/24/13/77/946241377.db2.gz JDSSRGBQCUHSBD-SCDSUCTJSA-N 0 1 390.879 1.316 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC001571299385 946249034 /nfs/dbraw/zinc/24/90/34/946249034.db2.gz LZYHHJDXJMJKIV-ZIAGYGMSSA-N 0 1 390.513 1.778 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@H]1CCCN1C(=O)[C@@H]1CCCOC1 ZINC001571299385 946249045 /nfs/dbraw/zinc/24/90/45/946249045.db2.gz LZYHHJDXJMJKIV-ZIAGYGMSSA-N 0 1 390.513 1.778 20 0 GDADMN Cc1ccc(C)c(CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c1 ZINC001571299436 946250248 /nfs/dbraw/zinc/25/02/48/946250248.db2.gz RGPKUGUGYSSBPX-HWWDLCQESA-N 0 1 390.451 1.067 20 0 GDADMN O=C(CN1CCC2(C1)CCOCC2)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822996325 946254455 /nfs/dbraw/zinc/25/44/55/946254455.db2.gz CEEDAQQEHDJOFZ-UHFFFAOYSA-N 0 1 376.848 1.961 20 0 GDADMN Cc1ccccc1C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571300116 946273068 /nfs/dbraw/zinc/27/30/68/946273068.db2.gz ZNRJECGXNIVCTL-HNNXBMFYSA-N 0 1 390.451 1.754 20 0 GDADMN CO[C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571300330 946280318 /nfs/dbraw/zinc/28/03/18/946280318.db2.gz ZUCKMDLHLBHOQT-LSDHHAIUSA-N 0 1 390.513 1.824 20 0 GDADMN O=C(NC[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cccnn1 ZINC001571305644 946370078 /nfs/dbraw/zinc/37/00/78/946370078.db2.gz IHOSIJMKTIGLFE-MRVPVSSYSA-N 0 1 391.848 1.023 20 0 GDADMN C[C@@H](NC(=O)c1cccc(-c2nn[nH]n2)c1Br)C1=NN(C)CC1=O ZINC001571308381 946433494 /nfs/dbraw/zinc/43/34/94/946433494.db2.gz PHOPKNQIORJQFI-SSDOTTSWSA-N 0 1 392.217 1.559 20 0 GDADMN CC1(C)C[C@@H]1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F ZINC001571308742 946435198 /nfs/dbraw/zinc/43/51/98/946435198.db2.gz SPSZKWLJLLAFMT-WDEREUQCSA-N 0 1 392.414 1.281 20 0 GDADMN O=C(c1ncc(-c2nn[nH]n2)cc1Cl)N1CCC(CN2CCOCC2)CC1 ZINC000823498618 946440029 /nfs/dbraw/zinc/44/00/29/946440029.db2.gz WIKBLJYKFQSOBN-UHFFFAOYSA-N 0 1 391.863 1.100 20 0 GDADMN O=S(=O)(CCNCCOc1ccccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562488 946447799 /nfs/dbraw/zinc/44/77/99/946447799.db2.gz SCKHDXPDHXFZFJ-UHFFFAOYSA-N 0 1 391.428 1.448 20 0 GDADMN O=C(CC1CC(F)(F)C1)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571309564 946448824 /nfs/dbraw/zinc/44/88/24/946448824.db2.gz DICWJCXLIUGNSY-LLVKDONJSA-N 0 1 392.414 1.165 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCC(F)(F)C1 ZINC001571310174 946464622 /nfs/dbraw/zinc/46/46/22/946464622.db2.gz XRGOAEGENGCTEP-NEPJUHHUSA-N 0 1 392.414 1.567 20 0 GDADMN CC(C)Cc1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571311200 946485619 /nfs/dbraw/zinc/48/56/19/946485619.db2.gz SVGJUUSPECZIRB-HNNXBMFYSA-N 0 1 392.467 1.604 20 0 GDADMN Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571313348 946521132 /nfs/dbraw/zinc/52/11/32/946521132.db2.gz NDDBTUYRRCVJEN-BPUTZDHNSA-N 0 1 392.467 1.681 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)[C@@H]2C)cnn1 ZINC001571315593 946554785 /nfs/dbraw/zinc/55/47/85/946554785.db2.gz LYDFXRCRUWPQBY-RDTXWAMCSA-N 0 1 392.467 1.748 20 0 GDADMN Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C1 ZINC001571315837 946561402 /nfs/dbraw/zinc/56/14/02/946561402.db2.gz PDSQMKCWBCAXOA-JQFCIGGWSA-N 0 1 392.467 1.673 20 0 GDADMN Cc1cc(C)cc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1 ZINC001571316022 946564640 /nfs/dbraw/zinc/56/46/40/946564640.db2.gz SAKZKCXUUMKQHC-GOEBONIOSA-N 0 1 392.467 1.339 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3cc(C)c(C)cn3)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316135 946565819 /nfs/dbraw/zinc/56/58/19/946565819.db2.gz UTDOSWHMJKGLDL-ZBFHGGJFSA-N 0 1 392.467 1.979 20 0 GDADMN Cc1ccccc1CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571316534 946579150 /nfs/dbraw/zinc/57/91/50/946579150.db2.gz FVKUFTXULVEFAP-GOEBONIOSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1ccccc1CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571316536 946580005 /nfs/dbraw/zinc/58/00/05/946580005.db2.gz FVKUFTXULVEFAP-ZBFHGGJFSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(-c3nn[nH]n3)cc2)[nH]1 ZINC001571316766 946587271 /nfs/dbraw/zinc/58/72/71/946587271.db2.gz MDWZVFUXIIYRBZ-CALCHBBNSA-N 0 1 392.467 1.696 20 0 GDADMN Cn1cc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c(C2CC2)n1 ZINC001571316856 946589546 /nfs/dbraw/zinc/58/95/46/946589546.db2.gz OGOFDXHJNJNKKF-INIZCTEOSA-N 0 1 392.467 1.482 20 0 GDADMN NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001571317302 946607246 /nfs/dbraw/zinc/60/72/46/946607246.db2.gz BPUAGMCJBUDIEJ-QMMMGPOBSA-N 0 1 392.832 1.195 20 0 GDADMN CC(=O)Nc1cccc(C(=O)NCCN(C)c2ccncc2-c2nn[nH]n2)c1 ZINC001573546504 946808801 /nfs/dbraw/zinc/80/88/01/946808801.db2.gz BIWGBQAROKZNDG-UHFFFAOYSA-N 0 1 380.412 1.086 20 0 GDADMN C[C@H]1COc2ccccc2CN1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825006918 947039133 /nfs/dbraw/zinc/03/91/33/947039133.db2.gz SNDISLQVWQKINI-YOEHRIQHSA-N 0 1 381.436 1.890 20 0 GDADMN CCC[C@@H]1CN(C(=S)Nc2ccccc2-c2nn[nH]n2)CCN1CCOC ZINC000825255615 947132927 /nfs/dbraw/zinc/13/29/27/947132927.db2.gz XVZBWLAYCVULMA-CQSZACIVSA-N 0 1 389.529 1.996 20 0 GDADMN C=C/C(C)=C/CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573317210 947294679 /nfs/dbraw/zinc/29/46/79/947294679.db2.gz MQVUVKNPOBEJTF-BLXFFLACSA-N 0 1 382.472 1.900 20 0 GDADMN CC(C(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1)=C1CCC1 ZINC001573591852 947323098 /nfs/dbraw/zinc/32/30/98/947323098.db2.gz GSTRFQXIJNRLLD-HNNXBMFYSA-N 0 1 385.472 1.326 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573595521 947422451 /nfs/dbraw/zinc/42/24/51/947422451.db2.gz GMLHJMVXULEYBK-YPMHNXCESA-N 0 1 378.502 1.273 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573595521 947422454 /nfs/dbraw/zinc/42/24/54/947422454.db2.gz GMLHJMVXULEYBK-YPMHNXCESA-N 0 1 378.502 1.273 20 0 GDADMN C[C@@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573597415 947436740 /nfs/dbraw/zinc/43/67/40/947436740.db2.gz OFPPSVXTWCFCAP-CYBMUJFWSA-N 0 1 381.444 1.140 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573598293 947443345 /nfs/dbraw/zinc/44/33/45/947443345.db2.gz PQYAMLAVEGFATN-RHSMWYFYSA-N 0 1 380.456 1.357 20 0 GDADMN C[C@H](C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1)c1ccc(F)cc1F ZINC001573603643 947494410 /nfs/dbraw/zinc/49/44/10/947494410.db2.gz IXDQZGMBSIHKBQ-NSHDSACASA-N 0 1 387.394 1.636 20 0 GDADMN CC(C)N(CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)[C@H](C)c1ccco1 ZINC001573603911 947499876 /nfs/dbraw/zinc/49/98/76/947499876.db2.gz LNWDWEBMBHSKOY-CYBMUJFWSA-N 0 1 384.444 1.727 20 0 GDADMN C[C@H](C(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1)n1cccn1 ZINC001573605345 947529397 /nfs/dbraw/zinc/52/93/97/947529397.db2.gz WMLCDMIAQUEQEJ-MRVPVSSYSA-N 0 1 381.853 1.305 20 0 GDADMN C=Cc1ccc(C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001573355319 947640229 /nfs/dbraw/zinc/64/02/29/947640229.db2.gz NVGIOIOJVNEPME-MRXNPFEDSA-N 0 1 391.435 1.280 20 0 GDADMN C/C(=C\C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1)C1CC1 ZINC001573361648 947693882 /nfs/dbraw/zinc/69/38/82/947693882.db2.gz DFTORSLSWXVKKJ-WZSOIAESSA-N 0 1 381.484 1.997 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573628321 947752919 /nfs/dbraw/zinc/75/29/19/947752919.db2.gz KTBVCJGSJNKIAM-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN CC(=O)CCCC(=O)N(C)CCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573369816 947776535 /nfs/dbraw/zinc/77/65/35/947776535.db2.gz XGGJNNPNRUEQKA-UHFFFAOYSA-N 0 1 385.881 1.631 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573630296 947790629 /nfs/dbraw/zinc/79/06/29/947790629.db2.gz XSZRYGPYSLLDJF-CABCVRRESA-N 0 1 380.456 1.539 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573630559 947792243 /nfs/dbraw/zinc/79/22/43/947792243.db2.gz YQSGKKPIVQIEJO-CFVMTHIKSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573639739 947848360 /nfs/dbraw/zinc/84/83/60/947848360.db2.gz BYSWJVQAHCCYNU-GOEBONIOSA-N 0 1 384.488 1.539 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573378050 947855148 /nfs/dbraw/zinc/85/51/48/947855148.db2.gz VGJMTXYQKLJKJZ-CABCVRRESA-N 0 1 385.472 1.742 20 0 GDADMN C[C@H](C(=O)N1CCO[C@@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573644147 947869396 /nfs/dbraw/zinc/86/93/96/947869396.db2.gz ZCEDEECTJNSTNZ-LRDDRELGSA-N 0 1 388.447 1.369 20 0 GDADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccc(C)c3-c3nn[nH]n3)cc12 ZINC000826299758 947869937 /nfs/dbraw/zinc/86/99/37/947869937.db2.gz UDQYHNMPWQXXBL-UHFFFAOYSA-N 0 1 384.425 1.566 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573647343 947892968 /nfs/dbraw/zinc/89/29/68/947892968.db2.gz IKVSAPCJZPPHBH-MBNYWOFBSA-N 0 1 386.485 1.322 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573647343 947892974 /nfs/dbraw/zinc/89/29/74/947892974.db2.gz IKVSAPCJZPPHBH-MBNYWOFBSA-N 0 1 386.485 1.322 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573647887 947903865 /nfs/dbraw/zinc/90/38/65/947903865.db2.gz VCNGBSPAULWGLP-MGPQQGTHSA-N 0 1 386.504 1.657 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573384513 947904442 /nfs/dbraw/zinc/90/44/42/947904442.db2.gz QJGPOOYBWOKHAS-DTORHVGOSA-N 0 1 383.865 1.795 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CCC1 ZINC001573650356 947908981 /nfs/dbraw/zinc/90/89/81/947908981.db2.gz AXHGVWRCTFTEAU-CFVMTHIKSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C(C)(C)C ZINC001573650741 947913578 /nfs/dbraw/zinc/91/35/78/947913578.db2.gz DNKVABVVVRWIHU-MCIONIFRSA-N 0 1 384.488 1.624 20 0 GDADMN C[C@@H](C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C)n1cccc1 ZINC001573652729 947946770 /nfs/dbraw/zinc/94/67/70/947946770.db2.gz HAMJSIOFKASZTJ-XJKSGUPXSA-N 0 1 382.472 1.689 20 0 GDADMN C[C@@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573656194 947985965 /nfs/dbraw/zinc/98/59/65/947985965.db2.gz DIAJJPKRFVWSHH-CQSZACIVSA-N 0 1 392.467 1.936 20 0 GDADMN Cc1onc(CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000826343693 947994792 /nfs/dbraw/zinc/99/47/92/947994792.db2.gz KHQRZLWTJYGRBN-UHFFFAOYSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000826343693 947994798 /nfs/dbraw/zinc/99/47/98/947994798.db2.gz KHQRZLWTJYGRBN-UHFFFAOYSA-N 0 1 387.488 1.820 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573670691 948103283 /nfs/dbraw/zinc/10/32/83/948103283.db2.gz CVKZTXJLMXQBKG-SUMWQHHRSA-N 0 1 380.456 1.094 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)C(C)(F)F ZINC001573673364 948112707 /nfs/dbraw/zinc/11/27/07/948112707.db2.gz KREOMTKRQIBLKU-RQJHMYQMSA-N 0 1 391.835 1.963 20 0 GDADMN C[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573677011 948130486 /nfs/dbraw/zinc/13/04/86/948130486.db2.gz BUYRWIRQLILBGS-NEPJUHHUSA-N 0 1 384.419 1.540 20 0 GDADMN CC(=O)N1C[C@H](C)OC2(CCN(Cc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001573426034 948154730 /nfs/dbraw/zinc/15/47/30/948154730.db2.gz GXEAPWFAQCQHBN-ZDUSSCGKSA-N 0 1 388.447 1.608 20 0 GDADMN N=C(NOCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1COc2ccccc2O1 ZINC000826388310 948194716 /nfs/dbraw/zinc/19/47/16/948194716.db2.gz RJHROJQKUKVCJO-MRXNPFEDSA-N 0 1 382.380 1.584 20 0 GDADMN Nc1ncnc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1Cl ZINC000826396583 948208068 /nfs/dbraw/zinc/20/80/68/948208068.db2.gz DEXYYFBDLGEIBU-UHFFFAOYSA-N 0 1 385.863 1.605 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccc(F)c1 ZINC001573692111 948255703 /nfs/dbraw/zinc/25/57/03/948255703.db2.gz LSTAINKLRPZOPV-GFCCVEGCSA-N 0 1 381.415 1.687 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1)n1cccn1 ZINC001573692892 948273157 /nfs/dbraw/zinc/27/31/57/948273157.db2.gz SYJHIGDMHRQUMV-GFCCVEGCSA-N 0 1 386.485 1.514 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1)n1cccn1 ZINC001573692892 948273166 /nfs/dbraw/zinc/27/31/66/948273166.db2.gz SYJHIGDMHRQUMV-GFCCVEGCSA-N 0 1 386.485 1.514 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC001573694434 948294402 /nfs/dbraw/zinc/29/44/02/948294402.db2.gz VMCPHBSOSISXSG-WDEREUQCSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC001573694434 948294406 /nfs/dbraw/zinc/29/44/06/948294406.db2.gz VMCPHBSOSISXSG-WDEREUQCSA-N 0 1 392.510 1.360 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H](C)C(=O)[O-] ZINC001602757485 971472493 /nfs/dbraw/zinc/47/24/93/971472493.db2.gz ISKYHGQMXHIHAA-QFBILLFUSA-N 0 1 377.485 1.189 20 0 GDADMN CC(=O)NCCN(C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](C)C(=O)[O-] ZINC001602757485 971472499 /nfs/dbraw/zinc/47/24/99/971472499.db2.gz ISKYHGQMXHIHAA-QFBILLFUSA-N 0 1 377.485 1.189 20 0 GDADMN CC(=O)NCCN(C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](C)C(=O)[O-] ZINC001602757485 971472504 /nfs/dbraw/zinc/47/25/04/971472504.db2.gz ISKYHGQMXHIHAA-QFBILLFUSA-N 0 1 377.485 1.189 20 0 GDADMN C[C@@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573704352 948372490 /nfs/dbraw/zinc/37/24/90/948372490.db2.gz ATGMGPPYBWQTAZ-ZDUSSCGKSA-N 0 1 381.444 1.052 20 0 GDADMN O=C1[C@H](N2CCC(c3cn[nH]c3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476593 948383351 /nfs/dbraw/zinc/38/33/51/948383351.db2.gz KWSUWXXDOQSZFI-GOSISDBHSA-N 0 1 392.467 1.965 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573707502 948434771 /nfs/dbraw/zinc/43/47/71/948434771.db2.gz POEJMUDPJPZVGK-ZIAGYGMSSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573707502 948434777 /nfs/dbraw/zinc/43/47/77/948434777.db2.gz POEJMUDPJPZVGK-ZIAGYGMSSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573707502 948434781 /nfs/dbraw/zinc/43/47/81/948434781.db2.gz POEJMUDPJPZVGK-ZIAGYGMSSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573707502 948434787 /nfs/dbraw/zinc/43/47/87/948434787.db2.gz POEJMUDPJPZVGK-ZIAGYGMSSA-N 0 1 385.497 1.929 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708572 948453694 /nfs/dbraw/zinc/45/36/94/948453694.db2.gz VUMFPHUYPSCVGD-ZIAGYGMSSA-N 0 1 378.440 1.403 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573714298 948471213 /nfs/dbraw/zinc/47/12/13/948471213.db2.gz FLLWRIZKYXMACP-ZIAGYGMSSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001573729989 948574095 /nfs/dbraw/zinc/57/40/95/948574095.db2.gz XNCMCPBFDPGGSD-RMRHIDDWSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001573729989 948574102 /nfs/dbraw/zinc/57/41/02/948574102.db2.gz XNCMCPBFDPGGSD-RMRHIDDWSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1)c1ccc(F)c(F)c1 ZINC001573731074 948586943 /nfs/dbraw/zinc/58/69/43/948586943.db2.gz CVXUOQDKGLAHBQ-WDEREUQCSA-N 0 1 387.394 1.682 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573742913 948664355 /nfs/dbraw/zinc/66/43/55/948664355.db2.gz TXUFEFHZYHOORC-NXEZZACHSA-N 0 1 388.382 1.077 20 0 GDADMN C[C@H](CNC(=O)CCc1cccnc1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574914312 948749555 /nfs/dbraw/zinc/74/95/55/948749555.db2.gz IGAPOFCFIDIQMY-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@H](CNC(=O)CCc1cccnc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574914312 948749563 /nfs/dbraw/zinc/74/95/63/948749563.db2.gz IGAPOFCFIDIQMY-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](CNC(=O)CCc1cccc(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574915654 948767658 /nfs/dbraw/zinc/76/76/58/948767658.db2.gz WJYIQJLXHQQYKQ-NSHDSACASA-N 0 1 386.847 1.281 20 0 GDADMN C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574679304 948773017 /nfs/dbraw/zinc/77/30/17/948773017.db2.gz SGQHQTHIXBFXFP-CYBMUJFWSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574679304 948773031 /nfs/dbraw/zinc/77/30/31/948773031.db2.gz SGQHQTHIXBFXFP-CYBMUJFWSA-N 0 1 387.492 1.228 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574080380 948788536 /nfs/dbraw/zinc/78/85/36/948788536.db2.gz QBKQKXMTUFAGIQ-RISCZKNCSA-N 0 1 376.440 1.372 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(F)c(Br)c1F)n1cnc(-c2nn[nH]n2)n1 ZINC001573756042 948794565 /nfs/dbraw/zinc/79/45/65/948794565.db2.gz LMMOGCYWDMRCIU-YFKPBYRVSA-N 0 1 399.159 1.699 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001574080747 948799896 /nfs/dbraw/zinc/79/98/96/948799896.db2.gz MUNFBXACJRQRMS-LYRGGWFBSA-N 0 1 378.427 1.936 20 0 GDADMN CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574420601 948802168 /nfs/dbraw/zinc/80/21/68/948802168.db2.gz ZSDQJWBQCIPWRD-CYBMUJFWSA-N 0 1 378.440 1.789 20 0 GDADMN CC(C)c1ccoc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001574420864 948806727 /nfs/dbraw/zinc/80/67/27/948806727.db2.gz CFQWFHAQIHZOFD-AAEUAGOBSA-N 0 1 382.428 1.368 20 0 GDADMN CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574422310 948832389 /nfs/dbraw/zinc/83/23/89/948832389.db2.gz YPSHZGZIEGYMHL-IMRBUKKESA-N 0 1 380.412 1.238 20 0 GDADMN C[C@@H](CNC(=O)CCCn1cccn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574918620 948856281 /nfs/dbraw/zinc/85/62/81/948856281.db2.gz OZHAEUABFYRLHY-ZDUSSCGKSA-N 0 1 386.435 1.277 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573762360 948856810 /nfs/dbraw/zinc/85/68/10/948856810.db2.gz UOYAYIPWFUVAOD-ZDUSSCGKSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)F ZINC001573763375 948867360 /nfs/dbraw/zinc/86/73/60/948867360.db2.gz DQFREPMLPSDMJR-GFCCVEGCSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574919243 948873822 /nfs/dbraw/zinc/87/38/22/948873822.db2.gz XFJAPQAZQBOLNH-CYBMUJFWSA-N 0 1 381.444 1.016 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1CCCOC1 ZINC001574684806 948888641 /nfs/dbraw/zinc/88/86/41/948888641.db2.gz MYTXRDLWLNRJEU-BDAKNGLRSA-N 0 1 385.881 1.710 20 0 GDADMN CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)s1 ZINC001574427391 948902792 /nfs/dbraw/zinc/90/27/92/948902792.db2.gz DQBLRDGBWAFKSY-JTQLQIEISA-N 0 1 387.473 1.279 20 0 GDADMN CC(C)(C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573765568 948917628 /nfs/dbraw/zinc/91/76/28/948917628.db2.gz OFTNMVPBEMVUNK-CQSZACIVSA-N 0 1 385.472 1.149 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1 ZINC001575235489 948919632 /nfs/dbraw/zinc/91/96/32/948919632.db2.gz VSTLMTXNPRMREX-SDDRHHMPSA-N 0 1 392.414 1.423 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574089020 948940568 /nfs/dbraw/zinc/94/05/68/948940568.db2.gz FQRVHJNIGJKSNR-YXISZKLHSA-N 0 1 384.459 1.844 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC001574688849 948973297 /nfs/dbraw/zinc/97/32/97/948973297.db2.gz AICWVLLLGQSLPU-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001574688849 948973303 /nfs/dbraw/zinc/97/33/03/948973303.db2.gz AICWVLLLGQSLPU-UONOGXRCSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001574688848 948973591 /nfs/dbraw/zinc/97/35/91/948973591.db2.gz AICWVLLLGQSLPU-KGLIPLIRSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001574688848 948973595 /nfs/dbraw/zinc/97/35/95/948973595.db2.gz AICWVLLLGQSLPU-KGLIPLIRSA-N 0 1 387.492 1.228 20 0 GDADMN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573774677 949015368 /nfs/dbraw/zinc/01/53/68/949015368.db2.gz QAHTXTNHMYSXKR-ZDUSSCGKSA-N 0 1 392.529 1.711 20 0 GDADMN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573774677 949015391 /nfs/dbraw/zinc/01/53/91/949015391.db2.gz QAHTXTNHMYSXKR-ZDUSSCGKSA-N 0 1 392.529 1.711 20 0 GDADMN C[C@@H](CNC(=O)CN1CCCC1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926803 949020648 /nfs/dbraw/zinc/02/06/48/949020648.db2.gz XTDNJCAFKSBQMW-NSHDSACASA-N 0 1 378.868 1.175 20 0 GDADMN CC(C)(C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573775060 949031070 /nfs/dbraw/zinc/03/10/70/949031070.db2.gz SZEVVSXKKCAKGL-AWEZNQCLSA-N 0 1 376.436 1.009 20 0 GDADMN CC(C)[C@@H]1C[C@@H](CC(=O)NCCN(C)c2ccncc2-c2nn[nH]n2)CCO1 ZINC001574092258 949053914 /nfs/dbraw/zinc/05/39/14/949053914.db2.gz MYGMKXUKBNTMKS-YOEHRIQHSA-N 0 1 387.488 1.655 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574443478 949109559 /nfs/dbraw/zinc/10/95/59/949109559.db2.gz YXFULXMBXHYUIF-OAHLLOKOSA-N 0 1 381.440 1.982 20 0 GDADMN CC(C)c1occc1C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446454 949134842 /nfs/dbraw/zinc/13/48/42/949134842.db2.gz QKRIEVLQSGYGKD-UHFFFAOYSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)c1ocnc1CNC1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574448027 949179998 /nfs/dbraw/zinc/17/99/98/949179998.db2.gz BVKVTQFHTGHRPW-UHFFFAOYSA-N 0 1 384.444 1.699 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](F)CC1CCCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698297 949183523 /nfs/dbraw/zinc/18/35/23/949183523.db2.gz IWMIEIXOGNVPQF-OCCSQVGLSA-N 0 1 390.467 1.646 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698315 949187018 /nfs/dbraw/zinc/18/70/18/949187018.db2.gz JAQQUILJIKKKSL-NEPJUHHUSA-N 0 1 384.419 1.280 20 0 GDADMN C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001576151187 949208904 /nfs/dbraw/zinc/20/89/04/949208904.db2.gz DJDBNORUCJATNR-CABCVRRESA-N 0 1 387.488 1.752 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574450277 949209433 /nfs/dbraw/zinc/20/94/33/949209433.db2.gz YZIFPHCPQDPYFA-AWEZNQCLSA-N 0 1 381.440 1.982 20 0 GDADMN CC(C)c1oncc1C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574450289 949210456 /nfs/dbraw/zinc/21/04/56/949210456.db2.gz ZJJDJZGPHFJDCE-LBPRGKRZSA-N 0 1 382.428 1.369 20 0 GDADMN CC(C)(C)C(=O)N1CCC([C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573792093 949235278 /nfs/dbraw/zinc/23/52/78/949235278.db2.gz KAWYXRBQYHNIBT-CQSZACIVSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575255856 949240560 /nfs/dbraw/zinc/24/05/60/949240560.db2.gz RWOFPJASDODVAY-VLIAUNLRSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574938160 949241548 /nfs/dbraw/zinc/24/15/48/949241548.db2.gz SYONAPRYJUTKLF-SNVBAGLBSA-N 0 1 389.822 1.635 20 0 GDADMN C[C@H](NC(=O)[C@]1(C)CCCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575255855 949245043 /nfs/dbraw/zinc/24/50/43/949245043.db2.gz RWOFPJASDODVAY-VBKZILBWSA-N 0 1 384.484 1.620 20 0 GDADMN CC1(c2ccccc2C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575856537 949249884 /nfs/dbraw/zinc/24/98/84/949249884.db2.gz GUOVZPSBHPHGKV-UHFFFAOYSA-N 0 1 390.451 1.505 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574940185 949252172 /nfs/dbraw/zinc/25/21/72/949252172.db2.gz ARPMBINPDJNBLG-NSHDSACASA-N 0 1 386.847 1.139 20 0 GDADMN C[C@]1(c2cccc(NC(=O)c3ccc(-c4nn[nH]n4)c(O)c3)c2)COC(=O)N1 ZINC001575857097 949261984 /nfs/dbraw/zinc/26/19/84/949261984.db2.gz NAGJBDPRDSETBV-GOSISDBHSA-N 0 1 380.364 1.780 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575257312 949270664 /nfs/dbraw/zinc/27/06/64/949270664.db2.gz ZRLCOUUMIQRTOE-KGLIPLIRSA-N 0 1 377.452 1.721 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574941188 949295535 /nfs/dbraw/zinc/29/55/35/949295535.db2.gz OWWNCWVHLNSURT-CQSZACIVSA-N 0 1 391.479 1.934 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703118 949310321 /nfs/dbraw/zinc/31/03/21/949310321.db2.gz RFKPIRYCBMFOKI-DJJJIMSYSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703074 949310541 /nfs/dbraw/zinc/31/05/41/949310541.db2.gz QHINWJXPHXFHAB-RMLUDKJBSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](CN(C)C(=O)C1(C(F)F)CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703572 949336198 /nfs/dbraw/zinc/33/61/98/949336198.db2.gz WLGAAWZJYJTYHG-SNVBAGLBSA-N 0 1 382.390 1.988 20 0 GDADMN C[C@@H](CN(C)C(=O)C1=CCOCC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574705021 949412123 /nfs/dbraw/zinc/41/21/23/949412123.db2.gz QRPKTAOSVBBTEO-QMMMGPOBSA-N 0 1 383.865 1.582 20 0 GDADMN C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575264137 949417678 /nfs/dbraw/zinc/41/76/78/949417678.db2.gz LWNNTWFOKZEEMS-WDEREUQCSA-N 0 1 380.403 1.423 20 0 GDADMN C[C@H](CNC(=O)Cc1cnoc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574946577 949432340 /nfs/dbraw/zinc/43/23/40/949432340.db2.gz VTIZRPNKZQJLDO-SSDOTTSWSA-N 0 1 382.837 1.148 20 0 GDADMN CC(C)(C)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001573803892 949458389 /nfs/dbraw/zinc/45/83/89/949458389.db2.gz WKTXPSTWTPHEFT-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)CC(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001574117414 949464968 /nfs/dbraw/zinc/46/49/68/949464968.db2.gz TZMDTTLYXZRLPC-SFHVURJKSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574470380 949498118 /nfs/dbraw/zinc/49/81/18/949498118.db2.gz BVWRMMGRFMYHQQ-KBPBESRZSA-N 0 1 380.456 1.531 20 0 GDADMN C[C@H](NC(=O)C[C@@H]1CCCO1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575267607 949502011 /nfs/dbraw/zinc/50/20/11/949502011.db2.gz IRHPECUGXXKIRJ-WFASDCNBSA-N 0 1 388.447 1.511 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576158836 949505704 /nfs/dbraw/zinc/50/57/04/949505704.db2.gz VAJSFDIWFRFIDY-KGLIPLIRSA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001574470730 949510053 /nfs/dbraw/zinc/51/00/53/949510053.db2.gz SZCALTAYROJUJW-ZDUSSCGKSA-N 0 1 381.444 1.295 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)c1nc[nH]n1 ZINC001576160035 949527532 /nfs/dbraw/zinc/52/75/32/949527532.db2.gz YWHDLARZPUIDNB-APPDUMDISA-N 0 1 382.432 1.171 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ncccc1-c1nn[nH]n1)NC(=O)c1ncn[nH]1 ZINC001576160035 949527546 /nfs/dbraw/zinc/52/75/46/949527546.db2.gz YWHDLARZPUIDNB-APPDUMDISA-N 0 1 382.432 1.171 20 0 GDADMN C[C@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872018 949528272 /nfs/dbraw/zinc/52/82/72/949528272.db2.gz FGNUFILECLMWPV-GXTWGEPZSA-N 0 1 384.488 1.957 20 0 GDADMN CC1(C(=O)N2CCC[C@H]([C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CC1 ZINC001575539049 949535380 /nfs/dbraw/zinc/53/53/80/949535380.db2.gz LWAFUUHEVAGSMD-KBPBESRZSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCCO1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575269300 949547921 /nfs/dbraw/zinc/54/79/21/949547921.db2.gz SUYXLXMLGRVLOZ-MLGOLLRUSA-N 0 1 388.447 1.511 20 0 GDADMN CC1(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001575540111 949561007 /nfs/dbraw/zinc/56/10/07/949561007.db2.gz UVYUIZWRUPUROV-NSHDSACASA-N 0 1 377.399 1.522 20 0 GDADMN C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001576165309 949565981 /nfs/dbraw/zinc/56/59/81/949565981.db2.gz JIWWJKLUKWQIMD-BBRMVZONSA-N 0 1 385.472 1.340 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cocn1 ZINC001573810664 949575133 /nfs/dbraw/zinc/57/51/33/949575133.db2.gz BQRCAFVXDBRHKN-ZDUSSCGKSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cocn1 ZINC001573810664 949575151 /nfs/dbraw/zinc/57/51/51/949575151.db2.gz BQRCAFVXDBRHKN-ZDUSSCGKSA-N 0 1 375.458 1.851 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166418 949578389 /nfs/dbraw/zinc/57/83/89/949578389.db2.gz LNYYOZQKEXTDGU-OLZOCXBDSA-N 0 1 388.451 1.400 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001575545652 949599840 /nfs/dbraw/zinc/59/98/40/949599840.db2.gz MUPDARMAOLKGQI-ZIAGYGMSSA-N 0 1 382.472 1.807 20 0 GDADMN C[C@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874328 949609141 /nfs/dbraw/zinc/60/91/41/949609141.db2.gz FYAGVMKVCJVQFK-SWLSCSKDSA-N 0 1 381.444 1.091 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957606 949623549 /nfs/dbraw/zinc/62/35/49/949623549.db2.gz CQOACOCTXKMDMK-TWJWRFFLSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957606 949623565 /nfs/dbraw/zinc/62/35/65/949623565.db2.gz CQOACOCTXKMDMK-TWJWRFFLSA-N 0 1 390.513 1.680 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C)(C)C(F)F ZINC001573815977 949667970 /nfs/dbraw/zinc/66/79/70/949667970.db2.gz NBZLGUBZTXLMRH-VIFPVBQESA-N 0 1 382.419 1.313 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573817813 949707601 /nfs/dbraw/zinc/70/76/01/949707601.db2.gz BKWSWUUVIVTUEW-CZUORRHYSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575881587 949728228 /nfs/dbraw/zinc/72/82/28/949728228.db2.gz ZKYZFLCDBJUKDS-NXEZZACHSA-N 0 1 384.366 1.473 20 0 GDADMN C[C@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882032 949747468 /nfs/dbraw/zinc/74/74/68/949747468.db2.gz FRMWKBVFPAZEOY-AAEUAGOBSA-N 0 1 384.469 1.434 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718018 949757529 /nfs/dbraw/zinc/75/75/29/949757529.db2.gz REIVXFQNVWWZOP-QWHCGFSZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718018 949757547 /nfs/dbraw/zinc/75/75/47/949757547.db2.gz REIVXFQNVWWZOP-QWHCGFSZSA-N 0 1 378.502 1.824 20 0 GDADMN CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001589648073 949757988 /nfs/dbraw/zinc/75/79/88/949757988.db2.gz MGIHRSHIHSQJOB-KRWDZBQOSA-N 0 1 396.532 1.606 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574963767 949759797 /nfs/dbraw/zinc/75/97/97/949759797.db2.gz MTMCGSFNSQYWRK-QEJZJMRPSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)C[C@H](C)CN1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574139279 949809919 /nfs/dbraw/zinc/80/99/19/949809919.db2.gz JFOBBYVYSOVIRF-UONOGXRCSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576174090 949850234 /nfs/dbraw/zinc/85/02/34/949850234.db2.gz ZUOXEAFZLLVGSA-UONOGXRCSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574484035 949855469 /nfs/dbraw/zinc/85/54/69/949855469.db2.gz CTIZUZNXGBOXGH-CHWSQXEVSA-N 0 1 382.428 1.268 20 0 GDADMN CC(C)(C)C1CC(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573825081 949863305 /nfs/dbraw/zinc/86/33/05/949863305.db2.gz KWHGDSPYRGAOLN-IYXRBSQSSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575283309 949865024 /nfs/dbraw/zinc/86/50/24/949865024.db2.gz OGSIWIIVLZJMOF-DZGCQCFKSA-N 0 1 385.472 1.409 20 0 GDADMN CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574143986 949900218 /nfs/dbraw/zinc/90/02/18/949900218.db2.gz JVIGAYJMILSAEJ-KGLIPLIRSA-N 0 1 388.476 1.193 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)CC2(C)C)CCOC1 ZINC001575569105 949907421 /nfs/dbraw/zinc/90/74/21/949907421.db2.gz GFHFUOOSTXJTCJ-KXBFYZLASA-N 0 1 385.472 1.409 20 0 GDADMN CC(C)(C)/C=C/C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573827187 949914032 /nfs/dbraw/zinc/91/40/32/949914032.db2.gz KRFFQENIPMJDSP-DNGMOHDESA-N 0 1 384.488 1.864 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574484951 949916024 /nfs/dbraw/zinc/91/60/24/949916024.db2.gz SFEYDTFALIHZIW-GDBMZVCRSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H](NC(=O)CN1CCc2ccccc21)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575284834 949922195 /nfs/dbraw/zinc/92/21/95/949922195.db2.gz KLIOIKRHGBXKLT-KBPBESRZSA-N 0 1 392.467 1.051 20 0 GDADMN C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180146 949940530 /nfs/dbraw/zinc/94/05/30/949940530.db2.gz CJQZMWLPWQERCU-CMPLNLGQSA-N 0 1 392.414 1.020 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180513 949962234 /nfs/dbraw/zinc/96/22/34/949962234.db2.gz DVHXZPDIBDOOQK-KGLIPLIRSA-N 0 1 387.463 1.720 20 0 GDADMN C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180604 949964456 /nfs/dbraw/zinc/96/44/56/949964456.db2.gz FMDJAIFQEURVPZ-MNOVXSKESA-N 0 1 380.403 1.020 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180590 949966870 /nfs/dbraw/zinc/96/68/70/949966870.db2.gz FKJFZHHBKXAPNW-TZMCWYRMSA-N 0 1 382.472 1.165 20 0 GDADMN C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180607 949966927 /nfs/dbraw/zinc/96/69/27/949966927.db2.gz FMDJAIFQEURVPZ-WDEREUQCSA-N 0 1 380.403 1.020 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574489639 949970978 /nfs/dbraw/zinc/97/09/78/949970978.db2.gz KBJVNNRYPHUPPR-GBIKHYSHSA-N 0 1 383.378 1.531 20 0 GDADMN C[C@H](NC(=O)Cc1ccco1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575289824 950005057 /nfs/dbraw/zinc/00/50/57/950005057.db2.gz CEEZWWZQESYRPB-QWHCGFSZSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181485 950007847 /nfs/dbraw/zinc/00/78/47/950007847.db2.gz IMDNRKWSYAOKJP-STQMWFEESA-N 0 1 388.451 1.257 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182384 950047602 /nfs/dbraw/zinc/04/76/02/950047602.db2.gz OHCOSFZFAZOVPE-SUMWQHHRSA-N 0 1 378.440 1.431 20 0 GDADMN C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182410 950051317 /nfs/dbraw/zinc/05/13/17/950051317.db2.gz ZQJXSISDMODMKT-OLZOCXBDSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccc[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574732006 950066945 /nfs/dbraw/zinc/06/69/45/950066945.db2.gz ZWTBVIVRQMSCHG-MRVPVSSYSA-N 0 1 380.865 1.806 20 0 GDADMN C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183612 950095595 /nfs/dbraw/zinc/09/55/95/950095595.db2.gz QPPZRVSSCALZKG-QWRGUYRKSA-N 0 1 380.403 1.020 20 0 GDADMN C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184109 950118432 /nfs/dbraw/zinc/11/84/32/950118432.db2.gz UAIIDQDATRKDGC-STQMWFEESA-N 0 1 382.472 1.165 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574152875 950122520 /nfs/dbraw/zinc/12/25/20/950122520.db2.gz LBDWAVHOVJEUKN-RDJZCZTQSA-N 0 1 388.520 1.791 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cncn2C)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896129 950122705 /nfs/dbraw/zinc/12/27/05/950122705.db2.gz KHIBQVVNXYSGLD-XJKSGUPXSA-N 0 1 380.456 1.383 20 0 GDADMN C[C@@H](CC(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CC1 ZINC001574493326 950127772 /nfs/dbraw/zinc/12/77/72/950127772.db2.gz SJALOINQBHYSOE-ZDUSSCGKSA-N 0 1 385.472 1.145 20 0 GDADMN C[C@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574493509 950133544 /nfs/dbraw/zinc/13/35/44/950133544.db2.gz SXBIRLVFINBKJL-FZKQIMNGSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N[C@H]1CCc2c1c(F)ccc2F ZINC001574979149 950146777 /nfs/dbraw/zinc/14/67/77/950146777.db2.gz WUHZNFCGIPOJAC-XPTSAGLGSA-N 0 1 387.394 1.868 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)[C@H]1CCCCN1C ZINC001574153921 950157798 /nfs/dbraw/zinc/15/77/98/950157798.db2.gz XWMJAGBRCOZWFE-JKSUJKDBSA-N 0 1 386.504 1.689 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899478 950169221 /nfs/dbraw/zinc/16/92/21/950169221.db2.gz WRQPLJLRLJZUMX-XJKSGUPXSA-N 0 1 380.456 1.383 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574154762 950178205 /nfs/dbraw/zinc/17/82/05/950178205.db2.gz HDZIZZDOUQCPEI-HOCLYGCPSA-N 0 1 392.467 1.361 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574155575 950201800 /nfs/dbraw/zinc/20/18/00/950201800.db2.gz OFIZGVBVYHLHNU-MNOVXSKESA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)(C)CCN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)O2 ZINC001573845107 950213580 /nfs/dbraw/zinc/21/35/80/950213580.db2.gz RFMXSRJKPNZRDI-AWEZNQCLSA-N 0 1 387.488 1.594 20 0 GDADMN C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574497769 950241067 /nfs/dbraw/zinc/24/10/67/950241067.db2.gz CQIUDNVDCVFCNA-HLIUYOAVSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)c1ccncc1 ZINC001574498661 950280904 /nfs/dbraw/zinc/28/09/04/950280904.db2.gz PFHSXCSVLWGBPC-AWEZNQCLSA-N 0 1 392.467 1.723 20 0 GDADMN CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)Nc2c[nH]nc2-c2nn[nH]n2)CO1 ZINC001573850916 950284801 /nfs/dbraw/zinc/28/48/01/950284801.db2.gz OZWLBYQXXSVJBT-NXEZZACHSA-N 0 1 377.405 1.055 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905374 950291496 /nfs/dbraw/zinc/29/14/96/950291496.db2.gz BZBIVGVSAZNCQL-YPMHNXCESA-N 0 1 392.485 1.160 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CC1OCCCO1 ZINC001575905374 950291517 /nfs/dbraw/zinc/29/15/17/950291517.db2.gz BZBIVGVSAZNCQL-YPMHNXCESA-N 0 1 392.485 1.160 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574159730 950314006 /nfs/dbraw/zinc/31/40/06/950314006.db2.gz YQAQJPGWISXSFI-CYBMUJFWSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575907429 950332755 /nfs/dbraw/zinc/33/27/55/950332755.db2.gz OSXWXUQJFIEXQN-GXFFZTMASA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575907429 950332777 /nfs/dbraw/zinc/33/27/77/950332777.db2.gz OSXWXUQJFIEXQN-GXFFZTMASA-N 0 1 385.453 1.422 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576196205 950351284 /nfs/dbraw/zinc/35/12/84/950351284.db2.gz ANRFXBSFEZBRNC-GOEBONIOSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576196205 950351303 /nfs/dbraw/zinc/35/13/03/950351303.db2.gz ANRFXBSFEZBRNC-GOEBONIOSA-N 0 1 384.488 1.031 20 0 GDADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574162071 950375643 /nfs/dbraw/zinc/37/56/43/950375643.db2.gz YTTOOVCKBRPLHT-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574162071 950375661 /nfs/dbraw/zinc/37/56/61/950375661.db2.gz YTTOOVCKBRPLHT-ZDUSSCGKSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576197246 950387354 /nfs/dbraw/zinc/38/73/54/950387354.db2.gz LVHMRPLAIUDMNC-ZDUSSCGKSA-N 0 1 375.452 1.242 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576197246 950387379 /nfs/dbraw/zinc/38/73/79/950387379.db2.gz LVHMRPLAIUDMNC-ZDUSSCGKSA-N 0 1 375.452 1.242 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576198064 950405021 /nfs/dbraw/zinc/40/50/21/950405021.db2.gz RLGREPRSMLIVDD-CQSZACIVSA-N 0 1 389.479 1.632 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576198064 950405032 /nfs/dbraw/zinc/40/50/32/950405032.db2.gz RLGREPRSMLIVDD-CQSZACIVSA-N 0 1 389.479 1.632 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc(O)ccc1Cl ZINC001574747131 950405864 /nfs/dbraw/zinc/40/58/64/950405864.db2.gz REQFCERWVITXIK-JTQLQIEISA-N 0 1 389.847 1.804 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1ccnc1 ZINC001574503394 950408394 /nfs/dbraw/zinc/40/83/94/950408394.db2.gz VHPJVJOODBULRX-CQSZACIVSA-N 0 1 380.456 1.263 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574503702 950416676 /nfs/dbraw/zinc/41/66/76/950416676.db2.gz YTSAURIDEJJRHB-LSDHHAIUSA-N 0 1 380.456 1.657 20 0 GDADMN CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576199471 950424473 /nfs/dbraw/zinc/42/44/73/950424473.db2.gz ZIFISJUUAAYQSV-HNNXBMFYSA-N 0 1 386.504 1.277 20 0 GDADMN CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576199471 950424484 /nfs/dbraw/zinc/42/44/84/950424484.db2.gz ZIFISJUUAAYQSV-HNNXBMFYSA-N 0 1 386.504 1.277 20 0 GDADMN CC(C)CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001574165561 950448585 /nfs/dbraw/zinc/44/85/85/950448585.db2.gz HSOIVVOJMBXMRH-ZDUSSCGKSA-N 0 1 392.529 1.711 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1[O-] ZINC001575912983 950474754 /nfs/dbraw/zinc/47/47/54/950474754.db2.gz SJICUTZJRZVDQF-SWLSCSKDSA-N 0 1 379.424 1.360 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N[C@@H]1CCc2c1c(F)ccc2F ZINC001574994487 950483807 /nfs/dbraw/zinc/48/38/07/950483807.db2.gz RXQPSEPBUBAPMA-YMTOWFKASA-N 0 1 387.394 1.868 20 0 GDADMN CCN(CC1CC[NH+](CCS(=O)(=O)CC(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC001589730034 950488555 /nfs/dbraw/zinc/48/85/55/950488555.db2.gz ISIDGTLXBRWKBR-UHFFFAOYSA-N 0 1 392.518 1.455 20 0 GDADMN C[C@@H](CCNC(=O)C[C@H](C)c1ccncc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574509275 950506956 /nfs/dbraw/zinc/50/69/56/950506956.db2.gz PLKGXSAUGUEEGJ-KBPBESRZSA-N 0 1 380.456 1.579 20 0 GDADMN CC1CCN(CC(=O)N[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C2CC2)CC1 ZINC001576205373 950513665 /nfs/dbraw/zinc/51/36/65/950513665.db2.gz YTLITERQJUWAGC-INIZCTEOSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H](CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C1CC1 ZINC001574509564 950515360 /nfs/dbraw/zinc/51/53/60/950515360.db2.gz SEILZPJKPIVAFF-GZBFAFLISA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576205896 950542944 /nfs/dbraw/zinc/54/29/44/950542944.db2.gz QZLQFCQJUQYOFG-ZIAGYGMSSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576205896 950542957 /nfs/dbraw/zinc/54/29/57/950542957.db2.gz QZLQFCQJUQYOFG-ZIAGYGMSSA-N 0 1 387.463 1.433 20 0 GDADMN CC(C)CCC(=O)N(CCO)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574171917 950572793 /nfs/dbraw/zinc/57/27/93/950572793.db2.gz WSVNVCGWTCGDLZ-UHFFFAOYSA-N 0 1 387.897 1.646 20 0 GDADMN CC1(C)C(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1(C)C ZINC001575615781 950575170 /nfs/dbraw/zinc/57/51/70/950575170.db2.gz HGDHBAWJOLJRMY-HUUCEWRRSA-N 0 1 384.484 1.210 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(Cl)cc1 ZINC001575918412 950591537 /nfs/dbraw/zinc/59/15/37/950591537.db2.gz BSZCIIOZQCDFMJ-GWCFXTLKSA-N 0 1 384.831 1.447 20 0 GDADMN CC1(C)C(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)C1(C)C ZINC001575617327 950598195 /nfs/dbraw/zinc/59/81/95/950598195.db2.gz ANDJBFCXZSNDCZ-TXEJJXNPSA-N 0 1 382.472 1.234 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)c1ccco1 ZINC001574513363 950606269 /nfs/dbraw/zinc/60/62/69/950606269.db2.gz PPTKXGAWVPIVTP-XQQFMLRXSA-N 0 1 382.428 1.527 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1ccsc1 ZINC001575923533 950663722 /nfs/dbraw/zinc/66/37/22/950663722.db2.gz BTGBIUHHLFJZGG-SMDDNHRTSA-N 0 1 385.453 1.225 20 0 GDADMN C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)CCc1nc[nH]n1 ZINC001575924290 950671529 /nfs/dbraw/zinc/67/15/29/950671529.db2.gz RZXGTBZUBUFDAQ-CMPLNLGQSA-N 0 1 385.407 1.158 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CC1=O ZINC001589745061 950679128 /nfs/dbraw/zinc/67/91/28/950679128.db2.gz VTSHZVVBWGBOFF-NUJGCVRESA-N 0 1 399.491 1.924 20 0 GDADMN CC1(C)CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575625622 950692767 /nfs/dbraw/zinc/69/27/67/950692767.db2.gz VKVJMXKGCXWZGB-KGLIPLIRSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001575927027 950730044 /nfs/dbraw/zinc/73/00/44/950730044.db2.gz ZSZDBURNZWOCKP-BXKDBHETSA-N 0 1 386.366 1.072 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575927724 950751547 /nfs/dbraw/zinc/75/15/47/950751547.db2.gz SWRSPXRDADIROK-ZWNOBZJWSA-N 0 1 380.412 1.264 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccn2nccc12 ZINC001575927771 950756733 /nfs/dbraw/zinc/75/67/33/950756733.db2.gz UCNJCLSLHPOFLD-SWLSCSKDSA-N 0 1 389.423 1.046 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC001575927730 950757156 /nfs/dbraw/zinc/75/71/56/950757156.db2.gz SYBVOHVKTODGTI-LRDDRELGSA-N 0 1 388.435 1.880 20 0 GDADMN CC1(C)CC(C(=O)NCCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001575631185 950771119 /nfs/dbraw/zinc/77/11/19/950771119.db2.gz KOCVOQVHGSBOBC-UHFFFAOYSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)CCCC(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001574186311 950807519 /nfs/dbraw/zinc/80/75/19/950807519.db2.gz CMQRBSKMKYWRBO-UHFFFAOYSA-N 0 1 387.488 1.275 20 0 GDADMN C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574767138 950836617 /nfs/dbraw/zinc/83/66/17/950836617.db2.gz MECFIIBPQWNQBE-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN CC1(C)C[C@H](NC(=O)C2=CCCC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639349 950866627 /nfs/dbraw/zinc/86/66/27/950866627.db2.gz RHGCTGGAOZAZKH-CQSZACIVSA-N 0 1 382.472 1.878 20 0 GDADMN C[C@@H](CN(C)C(=O)c1sccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767863 950867866 /nfs/dbraw/zinc/86/78/66/950867866.db2.gz QUNTXFZXVAOLON-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574767941 950872810 /nfs/dbraw/zinc/87/28/10/950872810.db2.gz VLJONRQIFSCPSW-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CN(C)C(=O)c1ncccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574767941 950872819 /nfs/dbraw/zinc/87/28/19/950872819.db2.gz VLJONRQIFSCPSW-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)C[C@H](O)c1ccccc1F ZINC001575012190 950884378 /nfs/dbraw/zinc/88/43/78/950884378.db2.gz XPBNBHGFFALEKN-ZBEGNZNMSA-N 0 1 387.419 1.118 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001574527495 950892452 /nfs/dbraw/zinc/89/24/52/950892452.db2.gz CMYQEOIDBCDJMY-STQMWFEESA-N 0 1 381.440 1.654 20 0 GDADMN CC(C)(CC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001573897473 950962470 /nfs/dbraw/zinc/96/24/70/950962470.db2.gz QDTQHYZXTCSJQB-AWEZNQCLSA-N 0 1 385.472 1.149 20 0 GDADMN CC(C)(CC(=O)Nc1c[nH]nc1-c1nn[nH]n1)NC(=O)OCc1ccccc1 ZINC001573900165 950998528 /nfs/dbraw/zinc/99/85/28/950998528.db2.gz SDIJGYHMYOHSBW-UHFFFAOYSA-N 0 1 384.400 1.623 20 0 GDADMN CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)nc1 ZINC001575025329 951130128 /nfs/dbraw/zinc/13/01/28/951130128.db2.gz YBBGEDNWKBCRSL-GFCCVEGCSA-N 0 1 382.428 1.096 20 0 GDADMN CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)nc1 ZINC001575025330 951130878 /nfs/dbraw/zinc/13/08/78/951130878.db2.gz YBBGEDNWKBCRSL-LBPRGKRZSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@]1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380095379 951181144 /nfs/dbraw/zinc/18/11/44/951181144.db2.gz LYQNVPLZBSQTFE-LJQANCHMSA-N 0 1 395.525 1.530 20 0 GDADMN C[C@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575036714 951300178 /nfs/dbraw/zinc/30/01/78/951300178.db2.gz WQEMMNBIAVLDBT-LLVKDONJSA-N 0 1 386.485 1.297 20 0 GDADMN C[C@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575036714 951300193 /nfs/dbraw/zinc/30/01/93/951300193.db2.gz WQEMMNBIAVLDBT-LLVKDONJSA-N 0 1 386.485 1.297 20 0 GDADMN C[C@H](CNC(=O)c1ccsn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575037539 951304573 /nfs/dbraw/zinc/30/45/73/951304573.db2.gz AHPPUBOHPZEHSG-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390459041 951379559 /nfs/dbraw/zinc/37/95/59/951379559.db2.gz BHHMUKNEYKPQAE-XLIONFOSSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575044013 951407773 /nfs/dbraw/zinc/40/77/73/951407773.db2.gz NVKMLDFOHNIOFU-GFCCVEGCSA-N 0 1 381.444 1.049 20 0 GDADMN C[C@H](CNC(=O)c1cnc2ccccc2c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575045135 951425458 /nfs/dbraw/zinc/42/54/58/951425458.db2.gz ZXAXFVFWXIAIQH-ZDUSSCGKSA-N 0 1 388.435 1.710 20 0 GDADMN C[C@@H](CNC(=O)c1cncc(Cl)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575046551 951442811 /nfs/dbraw/zinc/44/28/11/951442811.db2.gz OXQWRTYRZQGYTC-JTQLQIEISA-N 0 1 389.822 1.962 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC001575053123 951473874 /nfs/dbraw/zinc/47/38/74/951473874.db2.gz QWVUGMPLLMOSAU-GFCCVEGCSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575062437 951567895 /nfs/dbraw/zinc/56/78/95/951567895.db2.gz WBGIAFUJLPRVHI-JTQLQIEISA-N 0 1 384.419 1.126 20 0 GDADMN C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575067741 951620483 /nfs/dbraw/zinc/62/04/83/951620483.db2.gz XMZPIKOXDHELBK-SNVBAGLBSA-N 0 1 384.469 1.496 20 0 GDADMN O=C([O-])CN1CCC([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001595079345 951667433 /nfs/dbraw/zinc/66/74/33/951667433.db2.gz MJDJQBGNYYCHLQ-UHFFFAOYSA-N 0 1 375.469 1.926 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cccnc1 ZINC001575090917 951765235 /nfs/dbraw/zinc/76/52/35/951765235.db2.gz NZORRRAGTWMHII-CYBMUJFWSA-N 0 1 383.431 1.580 20 0 GDADMN C[C@@H](CNC(=O)C[C@H](C)n1ccnc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098103 951819942 /nfs/dbraw/zinc/81/99/42/951819942.db2.gz ARIYCMRKTCZFNR-OLZOCXBDSA-N 0 1 388.501 1.618 20 0 GDADMN C[C@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098665 951824119 /nfs/dbraw/zinc/82/41/19/951824119.db2.gz DZLSAFXWBLUWCY-LBPRGKRZSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@H](CNC(=O)CCc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098665 951824130 /nfs/dbraw/zinc/82/41/30/951824130.db2.gz DZLSAFXWBLUWCY-LBPRGKRZSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@H](CNC(=O)c1cn2c(n1)CCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099831 951839246 /nfs/dbraw/zinc/83/92/46/951839246.db2.gz PCMFORLDIHDHBL-NSHDSACASA-N 0 1 386.485 1.227 20 0 GDADMN C[C@H](CNC(=O)c1cn2c(n1)CCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099831 951839255 /nfs/dbraw/zinc/83/92/55/951839255.db2.gz PCMFORLDIHDHBL-NSHDSACASA-N 0 1 386.485 1.227 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575100918 951850097 /nfs/dbraw/zinc/85/00/97/951850097.db2.gz WQFXIDLAKHYWIM-OLZOCXBDSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575100918 951850103 /nfs/dbraw/zinc/85/01/03/951850103.db2.gz WQFXIDLAKHYWIM-OLZOCXBDSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl)N1CCCCC1 ZINC001575117267 951977636 /nfs/dbraw/zinc/97/76/36/951977636.db2.gz MCGPXJXBMMJVEZ-LLVKDONJSA-N 0 1 384.893 1.673 20 0 GDADMN O=C([O-])Cn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nn1 ZINC001595142942 952096482 /nfs/dbraw/zinc/09/64/82/952096482.db2.gz SIEZGUIWSXSNCW-HNNXBMFYSA-N 0 1 391.859 1.801 20 0 GDADMN O=C([O-])Cn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nn1 ZINC001595142942 952096493 /nfs/dbraw/zinc/09/64/93/952096493.db2.gz SIEZGUIWSXSNCW-HNNXBMFYSA-N 0 1 391.859 1.801 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc(C2CC2)c1 ZINC001575144069 952161719 /nfs/dbraw/zinc/16/17/19/952161719.db2.gz FVZRKUTXDWEUNY-LBPRGKRZSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575144249 952163799 /nfs/dbraw/zinc/16/37/99/952163799.db2.gz HHMJRZHSDNTVER-QGZVFWFLSA-N 0 1 386.847 1.676 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001575144576 952168010 /nfs/dbraw/zinc/16/80/10/952168010.db2.gz JBLYNLRYKAKAAL-VIFPVBQESA-N 0 1 390.810 1.444 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001575144711 952170721 /nfs/dbraw/zinc/17/07/21/952170721.db2.gz KQUJQCURDALEON-CYBMUJFWSA-N 0 1 390.451 1.611 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575146377 952192876 /nfs/dbraw/zinc/19/28/76/952192876.db2.gz JSELYTNPLPEPLZ-NSHDSACASA-N 0 1 382.428 1.123 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575146587 952195678 /nfs/dbraw/zinc/19/56/78/952195678.db2.gz LUTSXDSSQAOZQH-CQSZACIVSA-N 0 1 380.456 1.079 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575148130 952202159 /nfs/dbraw/zinc/20/21/59/952202159.db2.gz XRWTVAZGTWYMJG-CYBMUJFWSA-N 0 1 383.431 1.714 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575148222 952203433 /nfs/dbraw/zinc/20/34/33/952203433.db2.gz YYYZYECGOKPNPF-SNVBAGLBSA-N 0 1 388.382 1.589 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1csnn1 ZINC001575165044 952301884 /nfs/dbraw/zinc/30/18/84/952301884.db2.gz JXVILSDYQRRLLT-RXMQYKEDSA-N 0 1 385.866 1.401 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccn(C)c1 ZINC001575166711 952328347 /nfs/dbraw/zinc/32/83/47/952328347.db2.gz XOSCPSVIEBNTOL-QMMMGPOBSA-N 0 1 380.865 1.888 20 0 GDADMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(F)(F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571115039 952463206 /nfs/dbraw/zinc/46/32/06/952463206.db2.gz QNHDREWIYDVWRW-IMRBUKKESA-N 0 1 375.383 1.166 20 0 GDADMN O=C(c1n[nH]cc1F)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571120640 952505440 /nfs/dbraw/zinc/50/54/40/952505440.db2.gz OHMWGLTVABEEAN-VIFPVBQESA-N 0 1 376.421 1.185 20 0 GDADMN O=C(c1n[nH]cc1F)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571120640 952505444 /nfs/dbraw/zinc/50/54/44/952505444.db2.gz OHMWGLTVABEEAN-VIFPVBQESA-N 0 1 376.421 1.185 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001571124032 952534277 /nfs/dbraw/zinc/53/42/77/952534277.db2.gz XRTKJGLPRXXYTF-PSTGCABASA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001571124032 952534281 /nfs/dbraw/zinc/53/42/81/952534281.db2.gz XRTKJGLPRXXYTF-PSTGCABASA-N 0 1 376.486 1.339 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571124376 952537757 /nfs/dbraw/zinc/53/77/57/952537757.db2.gz HEQBIONWPUUXGQ-GFCCVEGCSA-N 0 1 377.399 1.522 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571124676 952542221 /nfs/dbraw/zinc/54/22/21/952542221.db2.gz QZNVQTQXCVPCNB-WDEREUQCSA-N 0 1 377.399 1.235 20 0 GDADMN O=S(=O)(c1ccsc1-c1nn[nH]n1)N1CCCC[C@@H]1c1ncccn1 ZINC001571127855 952560741 /nfs/dbraw/zinc/56/07/41/952560741.db2.gz KRVSIYLLMCWFMO-SNVBAGLBSA-N 0 1 377.455 1.634 20 0 GDADMN O=C(NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)c1cc2c([nH]1)CCC2 ZINC001571128134 952563651 /nfs/dbraw/zinc/56/36/51/952563651.db2.gz QJFYFOLYEDHRJG-UHFFFAOYSA-N 0 1 377.452 1.545 20 0 GDADMN CCN(C(=O)[C@@H]1CCC1(F)F)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571130457 952579539 /nfs/dbraw/zinc/57/95/39/952579539.db2.gz RCIYAVAYVRCIST-MNOVXSKESA-N 0 1 378.387 1.129 20 0 GDADMN Cc1ccncc1C(=O)N[C@H]1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571134005 952584150 /nfs/dbraw/zinc/58/41/50/952584150.db2.gz BCORCMPZWCSTCV-KGLIPLIRSA-N 0 1 378.440 1.540 20 0 GDADMN Cc1cnccc1CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571134154 952586521 /nfs/dbraw/zinc/58/65/21/952586521.db2.gz FJEIOFJVTVBKIL-DZGCQCFKSA-N 0 1 378.440 1.031 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571135484 952604960 /nfs/dbraw/zinc/60/49/60/952604960.db2.gz YVLSKSMUWIKDPA-CQSZACIVSA-N 0 1 378.440 1.564 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21)c1ccccc1 ZINC001571135926 952610211 /nfs/dbraw/zinc/61/02/11/952610211.db2.gz IENXHORGPOCWJP-PIIMJCKOSA-N 0 1 378.411 1.866 20 0 GDADMN C[C@@H](OC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)c1cccc(OC(F)F)c1 ZINC001571139314 952620054 /nfs/dbraw/zinc/62/00/54/952620054.db2.gz FRVMOMKFMNIQRD-DTWKUNHWSA-N 0 1 379.327 1.925 20 0 GDADMN Cc1nsc(N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1-c1nn[n-]n1 ZINC001571140972 952629619 /nfs/dbraw/zinc/62/96/19/952629619.db2.gz DEXJTOHWHHOXQW-AAEUAGOBSA-N 0 1 378.506 1.231 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cccc(=O)[nH]1 ZINC001571141182 952631744 /nfs/dbraw/zinc/63/17/44/952631744.db2.gz IDFWVSJGUPEJDY-OAHLLOKOSA-N 0 1 379.424 1.362 20 0 GDADMN Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571141214 952631874 /nfs/dbraw/zinc/63/18/74/952631874.db2.gz WKQGXAWXTOLYFL-HALDLXJZSA-N 0 1 379.399 1.574 20 0 GDADMN C[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571141561 952633965 /nfs/dbraw/zinc/63/39/65/952633965.db2.gz IJGNGWXIWLUMIH-RYUDHWBXSA-N 0 1 378.502 1.273 20 0 GDADMN C[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571141561 952633966 /nfs/dbraw/zinc/63/39/66/952633966.db2.gz IJGNGWXIWLUMIH-RYUDHWBXSA-N 0 1 378.502 1.273 20 0 GDADMN O=C(Cn1ccc(-c2nn[nH]n2)cc1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001571152060 952681562 /nfs/dbraw/zinc/68/15/62/952681562.db2.gz CDWHXYBERVRFGE-UHFFFAOYSA-N 0 1 380.286 1.566 20 0 GDADMN Cn1cncc1C(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571153364 952686409 /nfs/dbraw/zinc/68/64/09/952686409.db2.gz PRXZMWFPVLNESD-ZETCQYMHSA-N 0 1 379.837 1.037 20 0 GDADMN Cc1cnc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C)c1 ZINC001571156010 952701475 /nfs/dbraw/zinc/70/14/75/952701475.db2.gz ASSCYSMFWMHUSX-ZDUSSCGKSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1cnn(CC(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571169368 952772473 /nfs/dbraw/zinc/77/24/73/952772473.db2.gz AUARNSKAKLWWBI-QGZVFWFLSA-N 0 1 380.456 1.152 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n(C)n1 ZINC001571169401 952773742 /nfs/dbraw/zinc/77/37/42/952773742.db2.gz BLWFVXIRSMSXQP-MRXNPFEDSA-N 0 1 380.456 1.303 20 0 GDADMN CC(C)CN1N=C(C(=O)Nc2nc3cc(-c4nn[nH]n4)ccc3[nH]2)CCC1=O ZINC001571171627 952794548 /nfs/dbraw/zinc/79/45/48/952794548.db2.gz UHINFHFNKQMUGN-UHFFFAOYSA-N 0 1 381.400 1.316 20 0 GDADMN Cc1nn(C)c(C)c1C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171934 952799411 /nfs/dbraw/zinc/79/94/11/952799411.db2.gz IUKHJOMNSHVRBI-UHFFFAOYSA-N 0 1 380.456 1.079 20 0 GDADMN Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC001571179592 952854970 /nfs/dbraw/zinc/85/49/70/952854970.db2.gz GKKFYYWVUYSQIG-WBMJQRKESA-N 0 1 381.440 1.697 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571183285 952876330 /nfs/dbraw/zinc/87/63/30/952876330.db2.gz VMEVRGIKPPAPNU-CQSZACIVSA-N 0 1 381.440 1.982 20 0 GDADMN CO[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)c1[nH]ccc1C ZINC001571183286 952876901 /nfs/dbraw/zinc/87/69/01/952876901.db2.gz VOZAZFKGNDSCSK-HZPDHXFCSA-N 0 1 381.440 1.132 20 0 GDADMN CCc1nc[nH]c1C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183740 952882539 /nfs/dbraw/zinc/88/25/39/952882539.db2.gz ILHZGOVMLHSCKE-LBPRGKRZSA-N 0 1 381.444 1.076 20 0 GDADMN CCCn1nccc1C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571183808 952882901 /nfs/dbraw/zinc/88/29/01/952882901.db2.gz JWHXCQNLQZLZSO-OLZOCXBDSA-N 0 1 381.444 1.005 20 0 GDADMN CN(c1ccc(-c2nn[nH]n2)cn1)C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001571185202 952901339 /nfs/dbraw/zinc/90/13/39/952901339.db2.gz JKRMFJWPHWPJMH-UHFFFAOYSA-N 0 1 381.444 1.045 20 0 GDADMN Cc1c[nH]c(C(=O)N[C@H]2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001571185601 952903309 /nfs/dbraw/zinc/90/33/09/952903309.db2.gz NULDBQQUZPRYRP-JSGCOSHPSA-N 0 1 381.444 1.116 20 0 GDADMN O=C(c1cscn1)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571189123 952925706 /nfs/dbraw/zinc/92/57/06/952925706.db2.gz MNGLFOJYPMNDRL-GDBMZVCRSA-N 0 1 381.465 1.670 20 0 GDADMN Cc1cnc(CNC[C@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001571189360 952929081 /nfs/dbraw/zinc/92/90/81/952929081.db2.gz VMXFMEFMRMDTEN-CQSZACIVSA-N 0 1 381.444 1.078 20 0 GDADMN Cc1c(F)cccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571196711 952982797 /nfs/dbraw/zinc/98/27/97/952982797.db2.gz MRQNNPWCWSDUSN-BXUZGUMPSA-N 0 1 382.403 1.241 20 0 GDADMN Cc1cnc(C(=O)N2CC[C@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)cn1 ZINC001571196837 952984198 /nfs/dbraw/zinc/98/41/98/952984198.db2.gz OYMODKFXWNEPHH-AWEZNQCLSA-N 0 1 382.403 1.109 20 0 GDADMN CCc1noc(C)c1C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571198975 952994466 /nfs/dbraw/zinc/99/44/66/952994466.db2.gz JGBTYDZFWAPIMS-LBPRGKRZSA-N 0 1 382.428 1.259 20 0 GDADMN Cc1cnoc1C(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001571200527 953009783 /nfs/dbraw/zinc/00/97/83/953009783.db2.gz CWNUIFBMCQTXIW-CQSZACIVSA-N 0 1 382.428 1.251 20 0 GDADMN Cc1cnc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)CC[C@@H]32)o1 ZINC001571201298 953016565 /nfs/dbraw/zinc/01/65/65/953016565.db2.gz JUBKJDNFOLCRKW-DOMZBBRYSA-N 0 1 382.428 1.228 20 0 GDADMN Cc1nc(C(=O)N(C)C2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)co1 ZINC001571201678 953019292 /nfs/dbraw/zinc/01/92/92/953019292.db2.gz MXRVJWWCGQIEGD-UHFFFAOYSA-N 0 1 382.428 1.608 20 0 GDADMN CO[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)Cc1ccco1 ZINC001571202014 953022227 /nfs/dbraw/zinc/02/22/27/953022227.db2.gz ULPIRVQYQNTQPJ-IAGOWNOFSA-N 0 1 382.424 1.018 20 0 GDADMN CC(C)c1ccoc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571202025 953022251 /nfs/dbraw/zinc/02/22/51/953022251.db2.gz UNHUILZGGSSSOC-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2ccncc2-c2nn[nH]n2)on1 ZINC001571202274 953024046 /nfs/dbraw/zinc/02/40/46/953024046.db2.gz SINYQHPFWLNTJB-NHYWBVRUSA-N 0 1 382.428 1.333 20 0 GDADMN Cc1nocc1CN1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@@H]12 ZINC001571205662 953039928 /nfs/dbraw/zinc/03/99/28/953039928.db2.gz KKMCNCZDIAWVTN-QAPCUYQASA-N 0 1 382.428 1.418 20 0 GDADMN Cc1nocc1CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@H]12 ZINC001571205658 953040259 /nfs/dbraw/zinc/04/02/59/953040259.db2.gz KKMCNCZDIAWVTN-MAUKXSAKSA-N 0 1 382.428 1.418 20 0 GDADMN C[C@H](CN1CCC(C)CC1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001571210423 953072267 /nfs/dbraw/zinc/07/22/67/953072267.db2.gz RJYFRNDMNYULDI-GFCCVEGCSA-N 0 1 382.465 1.405 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCCC[C@H]2NC(=O)c2ncn[nH]2)n1 ZINC001571212161 953085253 /nfs/dbraw/zinc/08/52/53/953085253.db2.gz KFYQGQUFTPRGNE-DGCLKSJQSA-N 0 1 382.432 1.089 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCCC[C@H]2NC(=O)c2nc[nH]n2)n1 ZINC001571212161 953085258 /nfs/dbraw/zinc/08/52/58/953085258.db2.gz KFYQGQUFTPRGNE-DGCLKSJQSA-N 0 1 382.432 1.089 20 0 GDADMN CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C1)CC2 ZINC001571213286 953094137 /nfs/dbraw/zinc/09/41/37/953094137.db2.gz RAAYRQAMEGMOLD-MLZJXEJWSA-N 0 1 382.472 1.308 20 0 GDADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C12CCC(CC1)CC2 ZINC001571218453 953115054 /nfs/dbraw/zinc/11/50/54/953115054.db2.gz OFJCEVDPEAPWQT-SHYRYGCCSA-N 0 1 382.472 1.712 20 0 GDADMN O=C([C@H]1CCCC2(CC2)C1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571219098 953122132 /nfs/dbraw/zinc/12/21/32/953122132.db2.gz VCOLNBRUSHIZMP-UONOGXRCSA-N 0 1 382.472 1.452 20 0 GDADMN COCc1nocc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571220002 953128433 /nfs/dbraw/zinc/12/84/33/953128433.db2.gz WTTWOBNFHKUCOY-ZDUSSCGKSA-N 0 1 383.412 1.005 20 0 GDADMN Cc1ncccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571233840 953196020 /nfs/dbraw/zinc/19/60/20/953196020.db2.gz FWOJHTOXDHNNBL-CYBMUJFWSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1ncccc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571233840 953196022 /nfs/dbraw/zinc/19/60/22/953196022.db2.gz FWOJHTOXDHNNBL-CYBMUJFWSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1ncccc1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571233840 953196024 /nfs/dbraw/zinc/19/60/24/953196024.db2.gz FWOJHTOXDHNNBL-CYBMUJFWSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1ncccc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571233840 953196026 /nfs/dbraw/zinc/19/60/26/953196026.db2.gz FWOJHTOXDHNNBL-CYBMUJFWSA-N 0 1 383.481 1.884 20 0 GDADMN Cc1nscc1C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233913 953196637 /nfs/dbraw/zinc/19/66/37/953196637.db2.gz HQOXMESTVUGYBK-HNNXBMFYSA-N 0 1 383.481 1.978 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)Cc3cccs3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233928 953197828 /nfs/dbraw/zinc/19/78/28/953197828.db2.gz IGRMRABGXBVQEG-BDJLRTHQSA-N 0 1 383.481 1.555 20 0 GDADMN CCc1nc(C)c(CNC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001571243214 953264421 /nfs/dbraw/zinc/26/44/21/953264421.db2.gz ZPARCVYGAYBKBB-CYBMUJFWSA-N 0 1 384.444 1.448 20 0 GDADMN Cc1ncc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)s1 ZINC001571244694 953266052 /nfs/dbraw/zinc/26/60/52/953266052.db2.gz FFAAYWVRJXZOSU-LBPRGKRZSA-N 0 1 384.469 1.686 20 0 GDADMN C[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571244855 953267445 /nfs/dbraw/zinc/26/74/45/953267445.db2.gz KOYQTVUBXXNDAQ-NEPJUHHUSA-N 0 1 384.469 1.216 20 0 GDADMN C[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571244855 953267448 /nfs/dbraw/zinc/26/74/48/953267448.db2.gz KOYQTVUBXXNDAQ-NEPJUHHUSA-N 0 1 384.469 1.216 20 0 GDADMN Cc1cc(NCC2CCN(C(=O)c3ccsn3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244912 953268308 /nfs/dbraw/zinc/26/83/08/953268308.db2.gz LWRXIPAZLONLJA-UHFFFAOYSA-N 0 1 384.469 1.413 20 0 GDADMN COc1ccsc1C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571244952 953269356 /nfs/dbraw/zinc/26/93/56/953269356.db2.gz AYHYOTVLRJUANR-UHFFFAOYSA-N 0 1 384.465 1.799 20 0 GDADMN C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245070 953269738 /nfs/dbraw/zinc/26/97/38/953269738.db2.gz NIZBCQFAWJYDFZ-RYUDHWBXSA-N 0 1 384.469 1.350 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571245471 953273603 /nfs/dbraw/zinc/27/36/03/953273603.db2.gz IZEMWRNDHMLVJO-WKULXVSPSA-N 0 1 384.459 1.844 20 0 GDADMN CCc1ncc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)s1 ZINC001571245639 953275499 /nfs/dbraw/zinc/27/54/99/953275499.db2.gz XWXJBSZGHGIWHB-LLVKDONJSA-N 0 1 384.469 1.338 20 0 GDADMN CC1(C)CN(C(=O)c2cnccn2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571245847 953278016 /nfs/dbraw/zinc/27/80/16/953278016.db2.gz MZXLIVANSBCNRX-AWEZNQCLSA-N 0 1 384.469 1.359 20 0 GDADMN CC1(C)CN(C(=O)c2cnccn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571245847 953278019 /nfs/dbraw/zinc/27/80/19/953278019.db2.gz MZXLIVANSBCNRX-AWEZNQCLSA-N 0 1 384.469 1.359 20 0 GDADMN Cc1cc(CNC[C@@H]2[C@@H](C)CCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)on1 ZINC001571247573 953283137 /nfs/dbraw/zinc/28/31/37/953283137.db2.gz ARCKENNLSBBFPD-MEDUHNTESA-N 0 1 384.444 1.522 20 0 GDADMN Cc1sccc1C(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571248292 953291297 /nfs/dbraw/zinc/29/12/97/953291297.db2.gz PSEXMHSPHQHJCU-CMPLNLGQSA-N 0 1 384.469 1.411 20 0 GDADMN CC[C@@H]1CN(C(=O)C2CC(C)(C)C2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571250198 953308936 /nfs/dbraw/zinc/30/89/36/953308936.db2.gz OFXZIUZSPTXMNP-OCCSQVGLSA-N 0 1 384.488 1.554 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571251949 953322195 /nfs/dbraw/zinc/32/21/95/953322195.db2.gz CKGHPGULPXQUSJ-ZDUSSCGKSA-N 0 1 384.488 1.768 20 0 GDADMN Cc1ncoc1C(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571255676 953352523 /nfs/dbraw/zinc/35/25/23/953352523.db2.gz RXEKGNDUTXNTAU-IINYFYTJSA-N 0 1 385.403 1.695 20 0 GDADMN O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC3CCCC3)C1)O2 ZINC001594750249 953415771 /nfs/dbraw/zinc/41/57/71/953415771.db2.gz 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C[C@](Cn1cccn1)(NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000908263703 981290308 /nfs/dbraw/zinc/29/03/08/981290308.db2.gz HXEQNVUJPQGSNC-OXQOHEQNSA-N 0 1 388.443 1.894 20 0 GDADMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001595580353 981516255 /nfs/dbraw/zinc/51/62/55/981516255.db2.gz FEJNDXXGHCJQGU-CVEARBPZSA-N 0 1 381.517 1.907 20 0 GDADMN CCC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC001595618151 981662579 /nfs/dbraw/zinc/66/25/79/981662579.db2.gz MSMYYMXDJBCENL-RNODOKPDSA-N 0 1 392.452 1.983 20 0 GDADMN CC[NH+](CC)[C@@H](C(=O)NCC(=O)NCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000910335241 981876234 /nfs/dbraw/zinc/87/62/34/981876234.db2.gz YWSHINDTPIPLIB-OAHLLOKOSA-N 0 1 389.374 1.405 20 0 GDADMN CC(C)[C@H](C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000910483498 981956032 /nfs/dbraw/zinc/95/60/32/981956032.db2.gz NUNJCRHVYZBYRI-CYGHRXIMSA-N 0 1 378.469 1.769 20 0 GDADMN CC(C)[C@H](C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000910483498 981956036 /nfs/dbraw/zinc/95/60/36/981956036.db2.gz NUNJCRHVYZBYRI-CYGHRXIMSA-N 0 1 378.469 1.769 20 0 GDADMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@](O)(C(=O)[O-])C1 ZINC000910532289 981985506 /nfs/dbraw/zinc/98/55/06/981985506.db2.gz YIMFRDCDQKEITD-MGPUTAFESA-N 0 1 376.453 1.601 20 0 GDADMN O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000910757119 982108079 /nfs/dbraw/zinc/10/80/79/982108079.db2.gz LWSZQJLSMOJUOH-RDJZCZTQSA-N 0 1 391.443 1.230 20 0 GDADMN CCCCCC[C@](O)(C[N@@H+]1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001595702389 982263955 /nfs/dbraw/zinc/26/39/55/982263955.db2.gz IKGRVHDDUKMKQV-BZPMIXESSA-N 0 1 389.436 1.680 20 0 GDADMN CCCCCC[C@](O)(C[N@H+]1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)C(=O)[O-] ZINC001595702389 982263965 /nfs/dbraw/zinc/26/39/65/982263965.db2.gz IKGRVHDDUKMKQV-BZPMIXESSA-N 0 1 389.436 1.680 20 0 GDADMN CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)C(=O)[O-] ZINC001594890004 982284241 /nfs/dbraw/zinc/28/42/41/982284241.db2.gz GUCGONKRHZMNLO-KDOFPFPSSA-N 0 1 390.484 1.888 20 0 GDADMN CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1)C(=O)[O-] ZINC001594893638 982310031 /nfs/dbraw/zinc/31/00/31/982310031.db2.gz WMEBZVCGHXMYIE-PXAZEXFGSA-N 0 1 395.525 1.866 20 0 GDADMN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1)C(=O)[O-] ZINC001594893745 982311343 /nfs/dbraw/zinc/31/13/43/982311343.db2.gz XLNAWMRTWYZVBA-YXJHDRRASA-N 0 1 375.469 1.240 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C(=O)[O-])nn1C ZINC000911323757 982348403 /nfs/dbraw/zinc/34/84/03/982348403.db2.gz NVQDBNHAHCRQIO-OAHLLOKOSA-N 0 1 386.452 1.951 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000911386890 982411279 /nfs/dbraw/zinc/41/12/79/982411279.db2.gz JLEWRMRFGOPKBS-MRXNPFEDSA-N 0 1 382.464 1.649 20 0 GDADMN O=C([O-])c1cncc(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000911533611 982479914 /nfs/dbraw/zinc/47/99/14/982479914.db2.gz JUUBJWALFLYZGZ-HXUWFJFHSA-N 0 1 394.475 1.812 20 0 GDADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC001595835201 982736152 /nfs/dbraw/zinc/73/61/52/982736152.db2.gz JFCVKDYSCCQHPU-HOTGVXAUSA-N 0 1 381.517 1.526 20 0 GDADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC001595862658 982798007 /nfs/dbraw/zinc/79/80/07/982798007.db2.gz DTIDYAAOVUERMN-NEPJUHHUSA-N 0 1 381.395 1.089 20 0 GDADMN O=C([O-])[C@]1([NH+]2CCN(C(=O)Cc3coc(-c4ccccc4)n3)CC2)CCOC1 ZINC001118974063 982972356 /nfs/dbraw/zinc/97/23/56/982972356.db2.gz XXCIWWKGBFQGSO-FQEVSTJZSA-N 0 1 385.420 1.272 20 0 GDADMN CN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001119580036 982990594 /nfs/dbraw/zinc/99/05/94/982990594.db2.gz JLXCRXCIUHZHPQ-UHFFFAOYSA-N 0 1 384.436 1.573 20 0 GDADMN CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001595909980 983000638 /nfs/dbraw/zinc/00/06/38/983000638.db2.gz XESOYWHVDGZTOS-CVEARBPZSA-N 0 1 399.499 1.911 20 0 GDADMN CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)[O-])c2OC)CC1 ZINC001595922438 983039234 /nfs/dbraw/zinc/03/92/34/983039234.db2.gz XCIVJPSPNUFQLZ-UHFFFAOYSA-N 0 1 392.456 1.506 20 0 GDADMN CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001595922376 983039532 /nfs/dbraw/zinc/03/95/32/983039532.db2.gz VPJPCIZYAWFJGH-UHFFFAOYSA-N 0 1 398.410 1.775 20 0 GDADMN CCCSc1cccc(NC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC001595988002 983241841 /nfs/dbraw/zinc/24/18/41/983241841.db2.gz VEBYGYAOGGHWRI-GOSISDBHSA-N 0 1 394.497 1.977 20 0 GDADMN CCCc1ccc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)CC2=O)cc1 ZINC001596065162 983379501 /nfs/dbraw/zinc/37/95/01/983379501.db2.gz SLTIAYIHSNEXTC-IRXDYDNUSA-N 0 1 387.480 1.467 20 0 GDADMN CC[N@@H+](C)[C@H]1CCN(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC001596190913 983564738 /nfs/dbraw/zinc/56/47/38/983564738.db2.gz HZKQHTRIEYJDRT-AAEUAGOBSA-N 0 1 380.470 1.287 20 0 GDADMN CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1)C(C)C ZINC001596350614 983803760 /nfs/dbraw/zinc/80/37/60/983803760.db2.gz HXXSHRXUVPOZFH-HZPDHXFCSA-N 0 1 395.548 1.869 20 0 GDADMN CCN(c1ccc(NC(=O)CN2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)cc1)C(C)C ZINC001596383023 983906085 /nfs/dbraw/zinc/90/60/85/983906085.db2.gz NNGWOXMHVMNOMP-INIZCTEOSA-N 0 1 376.501 1.808 20 0 GDADMN CC[N@H+]1C[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)C(C)(C)C1 ZINC001596403515 983965524 /nfs/dbraw/zinc/96/55/24/983965524.db2.gz YTGPSXMCFFLEAC-AWEZNQCLSA-N 0 1 384.454 1.180 20 0 GDADMN CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C(=O)[O-])c2OC)[C@@H](C)C1 ZINC001596404153 983971070 /nfs/dbraw/zinc/97/10/70/983971070.db2.gz RQTSSFQINCFGNY-SWLSCSKDSA-N 0 1 377.441 1.521 20 0 GDADMN CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2CC(=O)[O-])[C@H](C)C1 ZINC001596404453 983973889 /nfs/dbraw/zinc/97/38/89/983973889.db2.gz WAIKYSGZLHOMBX-PBHICJAKSA-N 0 1 375.469 1.119 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)CC1=O ZINC001596418546 984045032 /nfs/dbraw/zinc/04/50/32/984045032.db2.gz PPOSKNFLVMSXNC-IHSNIMORSA-N 0 1 377.485 1.175 20 0 GDADMN CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001596421197 984053250 /nfs/dbraw/zinc/05/32/50/984053250.db2.gz HCLBRHWUGHSCLK-ZDUSSCGKSA-N 0 1 377.441 1.711 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CC1=O ZINC001596421687 984059100 /nfs/dbraw/zinc/05/91/00/984059100.db2.gz OWSAUMCZVWZHOE-MSOLQXFVSA-N 0 1 387.480 1.376 20 0 GDADMN CC[NH+]1CCN(C(=O)CC2CCN(c3nc(C)cc(C(=O)[O-])n3)CC2)CC1 ZINC001596427665 984086977 /nfs/dbraw/zinc/08/69/77/984086977.db2.gz LZBJZBOEHFVLRK-UHFFFAOYSA-N 0 1 375.473 1.254 20 0 GDADMN CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC001596434639 984112920 /nfs/dbraw/zinc/11/29/20/984112920.db2.gz UGOAKRUJSXEYNI-AWEZNQCLSA-N 0 1 380.493 1.098 20 0 GDADMN CCN1CC[NH+](Cc2ccccc2CNC(=S)NCCCC(=O)[O-])CC1 ZINC001596436650 984123190 /nfs/dbraw/zinc/12/31/90/984123190.db2.gz YHBOFGUCEDPTNX-UHFFFAOYSA-N 0 1 378.542 1.653 20 0 GDADMN CC[NH+]1CCN(c2ccc(C(=O)N[C@H](Cn3ccnc3)C(=O)[O-])cc2F)CC1 ZINC001596438588 984128115 /nfs/dbraw/zinc/12/81/15/984128115.db2.gz LZFZOUBDTFFFFX-MRXNPFEDSA-N 0 1 389.431 1.047 20 0 GDADMN CCNC(=O)c1cccc(NC(=O)C[NH2+][C@](C)(CC(=O)[O-])c2ccccn2)c1 ZINC001596485434 984220091 /nfs/dbraw/zinc/22/00/91/984220091.db2.gz AMRSPRRKYRBJHD-HXUWFJFHSA-N 0 1 384.436 1.750 20 0 GDADMN CCOC(=O)C1C(C[N@H+]2CC3CC2(C(=O)[O-])C3)=NC(=O)N[C@@H]1c1ccccc1 ZINC001596565633 984450736 /nfs/dbraw/zinc/45/07/36/984450736.db2.gz RLMYUHWVCINYDY-WCKOCXJASA-N 0 1 385.420 1.407 20 0 GDADMN CCOC(=O)C1=C(C[N@@H+]2CC3CC2(C(=O)[O-])C3)NC(=O)N[C@@H]1c1ccccc1 ZINC001596565633 984450740 /nfs/dbraw/zinc/45/07/40/984450740.db2.gz RLMYUHWVCINYDY-WCKOCXJASA-N 0 1 385.420 1.407 20 0 GDADMN CCOC(=O)C1=C(C[N@H+]2CC3CC2(C(=O)[O-])C3)NC(=O)N[C@@H]1c1ccccc1 ZINC001596565633 984450743 /nfs/dbraw/zinc/45/07/43/984450743.db2.gz RLMYUHWVCINYDY-WCKOCXJASA-N 0 1 385.420 1.407 20 0 GDADMN CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC12COC2 ZINC001596585130 984507874 /nfs/dbraw/zinc/50/78/74/984507874.db2.gz HLBPAUGZCZMNMZ-OLZOCXBDSA-N 0 1 394.449 1.063 20 0 GDADMN CCOC(=O)[C@H]1C[N@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC12COC2 ZINC001596585130 984507878 /nfs/dbraw/zinc/50/78/78/984507878.db2.gz HLBPAUGZCZMNMZ-OLZOCXBDSA-N 0 1 394.449 1.063 20 0 GDADMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001599892001 984705972 /nfs/dbraw/zinc/70/59/72/984705972.db2.gz XRTQTFITWKNYHE-OAHLLOKOSA-N 0 1 383.448 1.889 20 0 GDADMN C/C(=C\C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588959967 984729392 /nfs/dbraw/zinc/72/93/92/984729392.db2.gz VXMZCQKIXDUSMY-LULHVWEPSA-N 0 1 381.473 1.561 20 0 GDADMN 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/nfs/dbraw/zinc/43/81/70/598438170.db2.gz SSQKFMZOARKUCV-UHFFFAOYSA-N 0 1 398.858 1.919 20 0 GDADMN CC(C)c1nn(C)c(N2CCOCC2)c1CNCc1cccc(-c2nn[nH]n2)c1 ZINC000735943326 598465323 /nfs/dbraw/zinc/46/53/23/598465323.db2.gz POHGXJOODIFACD-UHFFFAOYSA-N 0 1 396.499 1.850 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000737546223 598498075 /nfs/dbraw/zinc/49/80/75/598498075.db2.gz AZTNHXZTZBLSGG-AWEZNQCLSA-N 0 1 381.440 1.773 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000737546223 598498076 /nfs/dbraw/zinc/49/80/76/598498076.db2.gz AZTNHXZTZBLSGG-AWEZNQCLSA-N 0 1 381.440 1.773 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000737546223 598498078 /nfs/dbraw/zinc/49/80/78/598498078.db2.gz AZTNHXZTZBLSGG-AWEZNQCLSA-N 0 1 381.440 1.773 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000737546223 598498080 /nfs/dbraw/zinc/49/80/80/598498080.db2.gz AZTNHXZTZBLSGG-AWEZNQCLSA-N 0 1 381.440 1.773 20 0 GDADMN CNC(=O)c1ccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000736878431 598558516 /nfs/dbraw/zinc/55/85/16/598558516.db2.gz TXGMAKUWELVMKV-UHFFFAOYSA-N 0 1 391.479 1.544 20 0 GDADMN O=C(CCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)NCC1CCCCC1 ZINC000737842953 598559004 /nfs/dbraw/zinc/55/90/04/598559004.db2.gz FZFFTQVVDCSSLH-UHFFFAOYSA-N 0 1 398.515 1.470 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000737200370 598614018 /nfs/dbraw/zinc/61/40/18/598614018.db2.gz LXRMTIVLAQDVIE-CVEARBPZSA-N 0 1 399.499 1.602 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000737200370 598614019 /nfs/dbraw/zinc/61/40/19/598614019.db2.gz LXRMTIVLAQDVIE-CVEARBPZSA-N 0 1 399.499 1.602 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000737200370 598614021 /nfs/dbraw/zinc/61/40/21/598614021.db2.gz LXRMTIVLAQDVIE-CVEARBPZSA-N 0 1 399.499 1.602 20 0 GDADMN COc1cccc(N2CC[C@H]([NH2+]Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C2)c1 ZINC000737138972 598617535 /nfs/dbraw/zinc/61/75/35/598617535.db2.gz JEMFYGJWOHLZGZ-AWEZNQCLSA-N 0 1 391.439 1.287 20 0 GDADMN COc1cccc(N2CC[C@H]([NH2+]Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C2)c1 ZINC000737138972 598617537 /nfs/dbraw/zinc/61/75/37/598617537.db2.gz JEMFYGJWOHLZGZ-AWEZNQCLSA-N 0 1 391.439 1.287 20 0 GDADMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000735835165 598631881 /nfs/dbraw/zinc/63/18/81/598631881.db2.gz FKOGLUJGLQCQNT-ZDUSSCGKSA-N 0 1 377.424 1.484 20 0 GDADMN NC(=O)Nc1ccc(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)cc1 ZINC000737755690 598720314 /nfs/dbraw/zinc/72/03/14/598720314.db2.gz PJNLOTGFARRGAY-UHFFFAOYSA-N 0 1 389.375 1.555 20 0 GDADMN CCCS(=O)(=O)NC1CCN([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736498664 599309784 /nfs/dbraw/zinc/30/97/84/599309784.db2.gz WQFVJVFYQVAOHY-ZDUSSCGKSA-N 0 1 378.502 1.722 20 0 GDADMN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000736199025 599312503 /nfs/dbraw/zinc/31/25/03/599312503.db2.gz MMHHIPMZOIONLF-CYBMUJFWSA-N 0 1 378.440 1.244 20 0 GDADMN COc1cc(C)nc(N2CCN([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000737039505 599318014 /nfs/dbraw/zinc/31/80/14/599318014.db2.gz GZIWHMZUSUBIKR-AWEZNQCLSA-N 0 1 380.456 1.857 20 0 GDADMN CCN(C1CCN([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1)S(C)(=O)=O ZINC000736512584 599319350 /nfs/dbraw/zinc/31/93/50/599319350.db2.gz RGMOYGOWQNHZKZ-CYBMUJFWSA-N 0 1 378.502 1.674 20 0 GDADMN O=C(CC[N@H+]1CCC[C@H]1CO)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737842915 599322197 /nfs/dbraw/zinc/32/21/97/599322197.db2.gz FKDFGYMHHDAAKN-NSHDSACASA-N 0 1 376.486 1.592 20 0 GDADMN O=C(CC[N@@H+]1CCC[C@H]1CO)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737842915 599322200 /nfs/dbraw/zinc/32/22/00/599322200.db2.gz FKDFGYMHHDAAKN-NSHDSACASA-N 0 1 376.486 1.592 20 0 GDADMN CN(C)C1(CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)Cc2ccccc2C1 ZINC000821581839 599349850 /nfs/dbraw/zinc/34/98/50/599349850.db2.gz VZOHUAQOMYRQDQ-UHFFFAOYSA-N 0 1 398.492 1.244 20 0 GDADMN Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c(-c2nn[n-]n2)c1C ZINC000737548364 599355282 /nfs/dbraw/zinc/35/52/82/599355282.db2.gz OZJOHXKIDTYKIH-OCCSQVGLSA-N 0 1 375.477 1.677 20 0 GDADMN Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c(-c2nn[n-]n2)c1C ZINC000737548364 599355284 /nfs/dbraw/zinc/35/52/84/599355284.db2.gz OZJOHXKIDTYKIH-OCCSQVGLSA-N 0 1 375.477 1.677 20 0 GDADMN CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000821181666 599374850 /nfs/dbraw/zinc/37/48/50/599374850.db2.gz OAULSCREXUWRDZ-NSHDSACASA-N 0 1 384.893 1.625 20 0 GDADMN CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821181666 599374853 /nfs/dbraw/zinc/37/48/53/599374853.db2.gz OAULSCREXUWRDZ-NSHDSACASA-N 0 1 384.893 1.625 20 0 GDADMN COc1ccc(O[C@@H](C)CN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821837918 599385665 /nfs/dbraw/zinc/38/56/65/599385665.db2.gz HVCMILISYYDQEG-YVEFUNNKSA-N 0 1 382.424 1.459 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1-c1nn[nH]n1 ZINC000821978817 599456688 /nfs/dbraw/zinc/45/66/88/599456688.db2.gz MZAZFQQPJYHCJM-XXILOJSOSA-N 0 1 390.469 1.623 20 0 GDADMN O=S(=O)(CCNCc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000738330549 599487254 /nfs/dbraw/zinc/48/72/54/599487254.db2.gz RBBLEXBOKGKYJL-UHFFFAOYSA-N 0 1 397.464 1.219 20 0 GDADMN CN(C)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000736762877 599519892 /nfs/dbraw/zinc/51/98/92/599519892.db2.gz KZDXAVVKIGMVMQ-UHFFFAOYSA-N 0 1 383.378 1.096 20 0 GDADMN C[C@@H](O)CNC(=O)c1cccc(Oc2c3ccccc3nnc2-c2nn[nH]n2)c1 ZINC000820481690 599559200 /nfs/dbraw/zinc/55/92/00/599559200.db2.gz YJFLFOPSHJUNIZ-LLVKDONJSA-N 0 1 391.391 1.713 20 0 GDADMN CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821180721 599644212 /nfs/dbraw/zinc/64/42/12/599644212.db2.gz GEVXEQRKGHNHHX-TZMCWYRMSA-N 0 1 375.477 1.820 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000822534935 599654168 /nfs/dbraw/zinc/65/41/68/599654168.db2.gz CSWQMAXLJTWZCS-KGLIPLIRSA-N 0 1 381.440 1.868 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000822534935 599654169 /nfs/dbraw/zinc/65/41/69/599654169.db2.gz CSWQMAXLJTWZCS-KGLIPLIRSA-N 0 1 381.440 1.868 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000822534935 599654170 /nfs/dbraw/zinc/65/41/70/599654170.db2.gz CSWQMAXLJTWZCS-KGLIPLIRSA-N 0 1 381.440 1.868 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000822534935 599654171 /nfs/dbraw/zinc/65/41/71/599654171.db2.gz CSWQMAXLJTWZCS-KGLIPLIRSA-N 0 1 381.440 1.868 20 0 GDADMN C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736760762 599712220 /nfs/dbraw/zinc/71/22/20/599712220.db2.gz DTEDRVZWANKJHG-MNOVXSKESA-N 0 1 379.482 1.849 20 0 GDADMN C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736760762 599712222 /nfs/dbraw/zinc/71/22/22/599712222.db2.gz DTEDRVZWANKJHG-MNOVXSKESA-N 0 1 379.482 1.849 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1CC(=O)NCCC(=O)[O-] ZINC000736274602 599713954 /nfs/dbraw/zinc/71/39/54/599713954.db2.gz VGUHIQJBQHFJNJ-GJZGRUSLSA-N 0 1 383.489 1.831 20 0 GDADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736442036 599721162 /nfs/dbraw/zinc/72/11/62/599721162.db2.gz BJYRSPLZHFINHT-ZDUSSCGKSA-N 0 1 396.419 1.327 20 0 GDADMN COc1cc[nH+]c(N2CCN(CC(=O)Nc3ccsc3C(=O)[O-])CC2)c1 ZINC000738143558 599794303 /nfs/dbraw/zinc/79/43/03/599794303.db2.gz QLLNJUCMGZMGJR-UHFFFAOYSA-N 0 1 376.438 1.611 20 0 GDADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000737864082 599813588 /nfs/dbraw/zinc/81/35/88/599813588.db2.gz FFLZZCQIAZJVJQ-GJZGRUSLSA-N 0 1 381.425 1.218 20 0 GDADMN COc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1C(=O)[O-] ZINC000738001898 599831696 /nfs/dbraw/zinc/83/16/96/599831696.db2.gz LWHLHBFJORFZCP-UHFFFAOYSA-N 0 1 392.500 1.561 20 0 GDADMN COc1ccc(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC000738001898 599831697 /nfs/dbraw/zinc/83/16/97/599831697.db2.gz LWHLHBFJORFZCP-UHFFFAOYSA-N 0 1 392.500 1.561 20 0 GDADMN C[C@@H](C(=O)NCC(=O)[O-])[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000736209234 599850010 /nfs/dbraw/zinc/85/00/10/599850010.db2.gz RFVMKFFUTSWWFP-WCQYABFASA-N 0 1 376.388 1.644 20 0 GDADMN C[NH+]1CCN([C@@H](C(=O)NCCOc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000737515956 599900215 /nfs/dbraw/zinc/90/02/15/599900215.db2.gz ROPPJGDFMVSOQU-HXUWFJFHSA-N 0 1 397.475 1.869 20 0 GDADMN C[C@@H]1C[N@H+](CCCNC(=O)NCCOc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736806027 599941588 /nfs/dbraw/zinc/94/15/88/599941588.db2.gz APHLMPAIGRRFNY-GASCZTMLSA-N 0 1 379.457 1.562 20 0 GDADMN C[C@@H](C[N@@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)C1CC1)C(=O)[O-] ZINC000736579582 599947955 /nfs/dbraw/zinc/94/79/55/599947955.db2.gz SYXIVYWIHVFZBO-HNNXBMFYSA-N 0 1 375.469 1.642 20 0 GDADMN C[C@@H](C[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000736580004 599949379 /nfs/dbraw/zinc/94/93/79/599949379.db2.gz WGERVBQFSGVANP-LBPRGKRZSA-N 0 1 381.860 1.922 20 0 GDADMN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000736215658 599955955 /nfs/dbraw/zinc/95/59/55/599955955.db2.gz QRVVSEIANAWFEV-OAHLLOKOSA-N 0 1 397.479 1.780 20 0 GDADMN O=C([O-])Nc1ccc(CNC(=O)C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000740025779 599957754 /nfs/dbraw/zinc/95/77/54/599957754.db2.gz XECWGPFHOBWPRY-UHFFFAOYSA-N 0 1 384.440 1.759 20 0 GDADMN O=C([O-])c1cccc(NC(=O)CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000739289297 599960564 /nfs/dbraw/zinc/96/05/64/599960564.db2.gz IQXQUEZRKHTMSZ-IBGZPJMESA-N 0 1 383.448 1.675 20 0 GDADMN CCOCC[N@H+]1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C[C@@H]1CC ZINC000737176934 599962396 /nfs/dbraw/zinc/96/23/96/599962396.db2.gz KAFKWZOWQXAPAF-HNNXBMFYSA-N 0 1 388.468 1.966 20 0 GDADMN C[C@@H](O)C[N@@H+](C)C1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000736677724 599965960 /nfs/dbraw/zinc/96/59/60/599965960.db2.gz OVWQZHLTXXJPCP-GFCCVEGCSA-N 0 1 395.525 1.651 20 0 GDADMN Cc1nc(CN2CCC[N@@H+]([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)oc1C ZINC000738347921 599966692 /nfs/dbraw/zinc/96/66/92/599966692.db2.gz CVIRSZRINKADNX-OAHLLOKOSA-N 0 1 392.500 1.511 20 0 GDADMN Cc1nc(CN2CCC[N@H+]([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)oc1C ZINC000738347921 599966694 /nfs/dbraw/zinc/96/66/94/599966694.db2.gz CVIRSZRINKADNX-OAHLLOKOSA-N 0 1 392.500 1.511 20 0 GDADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000739284879 599969724 /nfs/dbraw/zinc/96/97/24/599969724.db2.gz XZBKDMOHCLJKLJ-CRAIPNDOSA-N 0 1 396.451 1.036 20 0 GDADMN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000739284879 599969726 /nfs/dbraw/zinc/96/97/26/599969726.db2.gz XZBKDMOHCLJKLJ-CRAIPNDOSA-N 0 1 396.451 1.036 20 0 GDADMN Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccc(F)cc3C(=O)[O-])CC2)n1 ZINC000738863998 599970002 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C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857620 606699602 /nfs/dbraw/zinc/69/96/02/606699602.db2.gz SXUJRPWPJDHMIM-CYBMUJFWSA-N 0 1 397.487 1.084 20 0 GDADMN C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857620 606699606 /nfs/dbraw/zinc/69/96/06/606699606.db2.gz SXUJRPWPJDHMIM-CYBMUJFWSA-N 0 1 397.487 1.084 20 0 GDADMN CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1Cl ZINC000821343295 606712652 /nfs/dbraw/zinc/71/26/52/606712652.db2.gz NQRGPLVQGOZRMP-UHFFFAOYSA-N 0 1 397.804 1.221 20 0 GDADMN COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)o3)C2)cc(OC)c1 ZINC000821717196 606729932 /nfs/dbraw/zinc/72/99/32/606729932.db2.gz KHFFYWXCKXEURS-CQSZACIVSA-N 0 1 384.440 1.841 20 0 GDADMN C[N@H+](CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000821600209 606763622 /nfs/dbraw/zinc/76/36/22/606763622.db2.gz BYXZOGWEDVLGFJ-UHFFFAOYSA-N 0 1 396.492 1.939 20 0 GDADMN C[N@@H+](CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000821600209 606763623 /nfs/dbraw/zinc/76/36/23/606763623.db2.gz BYXZOGWEDVLGFJ-UHFFFAOYSA-N 0 1 396.492 1.939 20 0 GDADMN Cc1cnn(CCCCC[N@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822403230 606784435 /nfs/dbraw/zinc/78/44/35/606784435.db2.gz MAWKBINZRPXQGO-MRXNPFEDSA-N 0 1 396.503 1.543 20 0 GDADMN Cc1cnn(CCCCC[N@@H+]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822403230 606784436 /nfs/dbraw/zinc/78/44/36/606784436.db2.gz MAWKBINZRPXQGO-MRXNPFEDSA-N 0 1 396.503 1.543 20 0 GDADMN Cc1cnn(CCCCC[N@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822403230 606784437 /nfs/dbraw/zinc/78/44/37/606784437.db2.gz MAWKBINZRPXQGO-MRXNPFEDSA-N 0 1 396.503 1.543 20 0 GDADMN Cc1cnn(CCCCC[N@@H+]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822403230 606784438 /nfs/dbraw/zinc/78/44/38/606784438.db2.gz MAWKBINZRPXQGO-MRXNPFEDSA-N 0 1 396.503 1.543 20 0 GDADMN CCC[N@H+](CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC(C)(C)O ZINC000821088782 606795052 /nfs/dbraw/zinc/79/50/52/606795052.db2.gz WBAZCJNEFNRKKP-UHFFFAOYSA-N 0 1 398.471 1.474 20 0 GDADMN CCC[N@@H+](CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC(C)(C)O ZINC000821088782 606795055 /nfs/dbraw/zinc/79/50/55/606795055.db2.gz WBAZCJNEFNRKKP-UHFFFAOYSA-N 0 1 398.471 1.474 20 0 GDADMN CCc1noc(C)c1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000821553845 606879293 /nfs/dbraw/zinc/87/92/93/606879293.db2.gz KUPFNDMDGXIDGM-UHFFFAOYSA-N 0 1 384.444 1.913 20 0 GDADMN CCC[C@](C)(NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)OC ZINC000821007858 606884916 /nfs/dbraw/zinc/88/49/16/606884916.db2.gz CZJDEGMLTIDJRS-AWEZNQCLSA-N 0 1 389.384 1.155 20 0 GDADMN O=S(=O)(N[C@@H]1C[C@@H]1c1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572130 606888786 /nfs/dbraw/zinc/88/87/86/606888786.db2.gz BYYUVSNUVSQYDX-BXUZGUMPSA-N 0 1 377.376 1.979 20 0 GDADMN CC[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CCOCC1 ZINC000820926415 606893643 /nfs/dbraw/zinc/89/36/43/606893643.db2.gz SZLKNNIWJUTEEK-CYBMUJFWSA-N 0 1 387.412 1.628 20 0 GDADMN C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CN1Cc1ccccc1 ZINC000820666459 606896558 /nfs/dbraw/zinc/89/65/58/606896558.db2.gz HZKOPPWIPCFIFM-PBHICJAKSA-N 0 1 398.492 1.808 20 0 GDADMN C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820659644 606906986 /nfs/dbraw/zinc/90/69/86/606906986.db2.gz ZGEKEGOPGZKQQC-JSGCOSHPSA-N 0 1 381.444 1.385 20 0 GDADMN C[C@H]1C[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820659644 606906989 /nfs/dbraw/zinc/90/69/89/606906989.db2.gz ZGEKEGOPGZKQQC-JSGCOSHPSA-N 0 1 381.444 1.385 20 0 GDADMN CCO[C@@H]1C[C@@H](N(C)CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C12CCC2 ZINC000821357335 606917022 /nfs/dbraw/zinc/91/70/22/606917022.db2.gz CBXRCPCSRGBETK-IAGOWNOFSA-N 0 1 384.484 1.762 20 0 GDADMN CCO[C@H]1C[C@@H](N(C)CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821357760 606917090 /nfs/dbraw/zinc/91/70/90/606917090.db2.gz FLTUGNHFOUVEFL-SJORKVTESA-N 0 1 384.484 1.762 20 0 GDADMN CC[C@]1(C)CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C1 ZINC000820950982 606920226 /nfs/dbraw/zinc/92/02/26/606920226.db2.gz UCTDISRMFVUVEE-LJQANCHMSA-N 0 1 383.456 1.710 20 0 GDADMN CC[C@]1(C)CCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000820951244 606920279 /nfs/dbraw/zinc/92/02/79/606920279.db2.gz WWGSAIKUOGZJHY-LJQANCHMSA-N 0 1 383.456 1.710 20 0 GDADMN CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821521396 606932195 /nfs/dbraw/zinc/93/21/95/606932195.db2.gz FINJPLKBVMLFPX-UHFFFAOYSA-N 0 1 396.503 1.227 20 0 GDADMN O=S(=O)(Nc1ccc(F)nc1)c1cc(Br)cc(-c2nn[nH]n2)c1 ZINC000823588930 606980913 /nfs/dbraw/zinc/98/09/13/606980913.db2.gz FUIRNTBKPKIYPG-UHFFFAOYSA-N 0 1 399.205 1.964 20 0 GDADMN O=S(=O)(NC[C@@H](O)c1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573233 607004064 /nfs/dbraw/zinc/00/40/64/607004064.db2.gz SOPIUOOBJGFXDQ-CYBMUJFWSA-N 0 1 381.364 1.157 20 0 GDADMN O=C1[C@H](N2CC[C@@]3(O)CCCC[C@H]3C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823504388 607107796 /nfs/dbraw/zinc/10/77/96/607107796.db2.gz PQNKCFTUZCBADH-VPWXQRGCSA-N 0 1 382.468 1.599 20 0 GDADMN Cc1cc(C[C@H](C)NC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000822199765 607154915 /nfs/dbraw/zinc/15/49/15/607154915.db2.gz HARBOUFHEMWVHT-ZDUSSCGKSA-N 0 1 395.471 1.361 20 0 GDADMN Cc1cc(C[C@H](C)NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)n[nH]1 ZINC000822199600 607167502 /nfs/dbraw/zinc/16/75/02/607167502.db2.gz AGNIPKPMMWMXAZ-JTQLQIEISA-N 0 1 392.427 1.027 20 0 GDADMN Cc1nc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)sc1Cc1ccc(F)cc1 ZINC000822449703 607208854 /nfs/dbraw/zinc/20/88/54/607208854.db2.gz KVCHESFLCHVCQR-UHFFFAOYSA-N 0 1 399.415 1.592 20 0 GDADMN CC1CC[NH+](Cc2cccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)CC1 ZINC000820722805 607212470 /nfs/dbraw/zinc/21/24/70/607212470.db2.gz OXZOQWGAPNNPSD-UHFFFAOYSA-N 0 1 395.471 1.007 20 0 GDADMN Cc1ccccc1Oc1ccccc1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822366092 607215424 /nfs/dbraw/zinc/21/54/24/607215424.db2.gz BALIHPHMYVWJFJ-UHFFFAOYSA-N 0 1 390.407 1.875 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821154591 607220260 /nfs/dbraw/zinc/22/02/60/607220260.db2.gz PQTHMIXKXOKAKX-OAHLLOKOSA-N 0 1 386.435 1.713 20 0 GDADMN CCCCCCOC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821055549 607222389 /nfs/dbraw/zinc/22/23/89/607222389.db2.gz CDLWYIFFHZGTSY-UHFFFAOYSA-N 0 1 398.427 1.834 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nc(COc2ccccc2)cs1 ZINC000823136420 607235976 /nfs/dbraw/zinc/23/59/76/607235976.db2.gz ZNUBUKPTEXNWQN-UHFFFAOYSA-N 0 1 383.397 1.132 20 0 GDADMN c1cn(C[C@H]2CCCN(Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)nn1 ZINC000826524641 607784383 /nfs/dbraw/zinc/78/43/83/607784383.db2.gz DAIQADUHMSLBJO-HNNXBMFYSA-N 0 1 390.455 1.691 20 0 GDADMN O=C1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCN1c1sccc1-c1nn[n-]n1 ZINC000826476571 607818297 /nfs/dbraw/zinc/81/82/97/607818297.db2.gz KNVJAWOURFGRQS-IGHBBLSQSA-N 0 1 386.481 1.581 20 0 GDADMN CC(C)N(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCOCC1 ZINC000824288917 607829395 /nfs/dbraw/zinc/82/93/95/607829395.db2.gz PUGIVHJRAFWMAS-UHFFFAOYSA-N 0 1 379.486 1.530 20 0 GDADMN C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000824040212 607881196 /nfs/dbraw/zinc/88/11/96/607881196.db2.gz NDDASYFUJHJPGZ-MRXNPFEDSA-N 0 1 398.511 1.964 20 0 GDADMN C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1cn[nH]c1 ZINC000824489646 607940793 /nfs/dbraw/zinc/94/07/93/607940793.db2.gz MNSOFZZFHMZCQE-JTQLQIEISA-N 0 1 398.431 1.048 20 0 GDADMN Cc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1S(C)(=O)=O ZINC000826291450 607982706 /nfs/dbraw/zinc/98/27/06/607982706.db2.gz GOIYEOJQHKMCMQ-UHFFFAOYSA-N 0 1 393.450 1.379 20 0 GDADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000826090775 607986464 /nfs/dbraw/zinc/98/64/64/607986464.db2.gz OKOOEUGZJWSFRG-LLVKDONJSA-N 0 1 390.444 1.765 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccccc2F)c1-c1nnn[n-]1 ZINC000826073504 608019314 /nfs/dbraw/zinc/01/93/14/608019314.db2.gz VFKSKQVUEIZLPJ-JTQLQIEISA-N 0 1 388.407 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccccc2F)c1-c1nn[n-]n1 ZINC000826073504 608019315 /nfs/dbraw/zinc/01/93/15/608019315.db2.gz VFKSKQVUEIZLPJ-JTQLQIEISA-N 0 1 388.407 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cccc(OC)c3o2)c1-c1nnn[n-]1 ZINC000826082872 608019947 /nfs/dbraw/zinc/01/99/47/608019947.db2.gz CJYBNAHGDXXWDC-UHFFFAOYSA-N 0 1 396.411 1.749 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cccc(OC)c3o2)c1-c1nn[n-]n1 ZINC000826082872 608019948 /nfs/dbraw/zinc/01/99/48/608019948.db2.gz CJYBNAHGDXXWDC-UHFFFAOYSA-N 0 1 396.411 1.749 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826077860 608020635 /nfs/dbraw/zinc/02/06/35/608020635.db2.gz XXTBRHSMHJYPBI-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826077860 608020636 /nfs/dbraw/zinc/02/06/36/608020636.db2.gz XXTBRHSMHJYPBI-UHFFFAOYSA-N 0 1 376.371 1.201 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(=O)c3ccccc3o2)c1-c1nnn[n-]1 ZINC000826077487 608021279 /nfs/dbraw/zinc/02/12/79/608021279.db2.gz JTQYJRLAMASMCT-UHFFFAOYSA-N 0 1 394.395 1.101 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(=O)c3ccccc3o2)c1-c1nn[n-]n1 ZINC000826077487 608021280 /nfs/dbraw/zinc/02/12/80/608021280.db2.gz JTQYJRLAMASMCT-UHFFFAOYSA-N 0 1 394.395 1.101 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000826077833 608021674 /nfs/dbraw/zinc/02/16/74/608021674.db2.gz XGFRRYZZMCTBGY-GFCCVEGCSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](C)c2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000826077833 608021675 /nfs/dbraw/zinc/02/16/75/608021675.db2.gz XGFRRYZZMCTBGY-GFCCVEGCSA-N 0 1 398.471 1.883 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC000826073533 608021887 /nfs/dbraw/zinc/02/18/87/608021887.db2.gz WIRQEEKIMYRAQI-UHFFFAOYSA-N 0 1 394.439 1.052 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(=O)c2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC000826073533 608021888 /nfs/dbraw/zinc/02/18/88/608021888.db2.gz WIRQEEKIMYRAQI-UHFFFAOYSA-N 0 1 394.439 1.052 20 0 GDADMN COc1ccc2c(c1)CCN([C@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826213331 608037923 /nfs/dbraw/zinc/03/79/23/608037923.db2.gz TUKDVOFIXSKPFV-SFHVURJKSA-N 0 1 378.436 1.503 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1-c1nnn[n-]1 ZINC000826083752 608077176 /nfs/dbraw/zinc/07/71/76/608077176.db2.gz PSBNCELHWWYBFM-CQSZACIVSA-N 0 1 396.455 1.498 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1-c1nn[n-]n1 ZINC000826083752 608077177 /nfs/dbraw/zinc/07/71/77/608077177.db2.gz PSBNCELHWWYBFM-CQSZACIVSA-N 0 1 396.455 1.498 20 0 GDADMN O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429970 608134850 /nfs/dbraw/zinc/13/48/50/608134850.db2.gz QUEYCMIFEVXXDD-FGTMMUONSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429970 608134851 /nfs/dbraw/zinc/13/48/51/608134851.db2.gz QUEYCMIFEVXXDD-FGTMMUONSA-N 0 1 389.463 1.902 20 0 GDADMN 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Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571299647 946255623 /nfs/dbraw/zinc/25/56/23/946255623.db2.gz OCUXPIHMBOSLMO-STQMWFEESA-N 0 1 390.517 1.517 20 0 GDADMN Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571299647 946255632 /nfs/dbraw/zinc/25/56/32/946255632.db2.gz OCUXPIHMBOSLMO-STQMWFEESA-N 0 1 390.517 1.517 20 0 GDADMN O=C(C[C@@H]1CCCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299744 946262764 /nfs/dbraw/zinc/26/27/64/946262764.db2.gz PDTJBOZFRCYEML-KBPBESRZSA-N 0 1 390.513 1.826 20 0 GDADMN O=C(C[C@@H]1CCCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299744 946262772 /nfs/dbraw/zinc/26/27/72/946262772.db2.gz PDTJBOZFRCYEML-KBPBESRZSA-N 0 1 390.513 1.826 20 0 GDADMN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571299820 946262903 /nfs/dbraw/zinc/26/29/03/946262903.db2.gz VNWDFKMRCOPGLH-VNQPRFMTSA-N 0 1 390.451 1.464 20 0 GDADMN C[C@@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571299888 946264346 /nfs/dbraw/zinc/26/43/46/946264346.db2.gz QGCSZIQBIZAANK-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571299888 946264358 /nfs/dbraw/zinc/26/43/58/946264358.db2.gz QGCSZIQBIZAANK-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571299891 946264920 /nfs/dbraw/zinc/26/49/20/946264920.db2.gz QGDQUNQHXIQOMO-KCJUWKMLSA-N 0 1 390.860 1.366 20 0 GDADMN O=C(C1CCC(O)CC1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571300262 946276858 /nfs/dbraw/zinc/27/68/58/946276858.db2.gz XYXVBDHWGLKEID-HSBZDZAISA-N 0 1 390.513 1.417 20 0 GDADMN O=C(C1CCC(O)CC1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571300262 946276876 /nfs/dbraw/zinc/27/68/76/946276876.db2.gz XYXVBDHWGLKEID-HSBZDZAISA-N 0 1 390.513 1.417 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1nc(-c2nn[nH]n2)c(Cl)s1)c1ccncc1 ZINC001571300304 946281182 /nfs/dbraw/zinc/28/11/82/946281182.db2.gz ZGEZHRUUBAPDNU-JTQLQIEISA-N 0 1 390.860 1.770 20 0 GDADMN Cc1cc(NC[C@@H]2CCN(C(=O)C3(C(F)F)CCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571301747 946282282 /nfs/dbraw/zinc/28/22/82/946282282.db2.gz BWEYRIWJFIHVSZ-LBPRGKRZSA-N 0 1 391.426 1.688 20 0 GDADMN CC(=O)N[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)CC2(CCOCC2)C1 ZINC001573497024 946338049 /nfs/dbraw/zinc/33/80/49/946338049.db2.gz IVNBMNLXIMYNDQ-MRXNPFEDSA-N 0 1 388.447 1.513 20 0 GDADMN Cc1cncc(CC(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC001571305963 946380958 /nfs/dbraw/zinc/38/09/58/946380958.db2.gz FNKYDDXCLVKCNF-UHFFFAOYSA-N 0 1 391.479 1.847 20 0 GDADMN O=C(C[C@@H]1CCC(F)(F)C1)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571310256 946465985 /nfs/dbraw/zinc/46/59/85/946465985.db2.gz ZVBOYYHOOKMBEU-LBPRGKRZSA-N 0 1 392.414 1.521 20 0 GDADMN CC(C)Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571310526 946476172 /nfs/dbraw/zinc/47/61/72/946476172.db2.gz IRLRMVXKGIREKF-IYBDPMFKSA-N 0 1 392.467 1.650 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571314072 946541812 /nfs/dbraw/zinc/54/18/12/946541812.db2.gz ZROMPUIAPURUEX-HOCLYGCPSA-N 0 1 392.467 1.888 20 0 GDADMN Cc1ccc(CC(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001571314884 946544277 /nfs/dbraw/zinc/54/42/77/946544277.db2.gz CSLIMKLEVFDLGB-WKILWMFISA-N 0 1 392.467 1.469 20 0 GDADMN Cc1[nH]ccc1C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001571314953 946546547 /nfs/dbraw/zinc/54/65/47/946546547.db2.gz FGOIUUJXEUTGSB-VLIAUNLRSA-N 0 1 392.467 1.805 20 0 GDADMN Cc1cc(C)nc(C(=O)N[C@H]2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001571315191 946549152 /nfs/dbraw/zinc/54/91/52/946549152.db2.gz HBAPGIKCMLYWDP-HOCLYGCPSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cc(C(=O)N[C@@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cc(C)n1 ZINC001571315384 946551087 /nfs/dbraw/zinc/55/10/87/946551087.db2.gz IYVSRLYCCYAGSC-FQEVSTJZSA-N 0 1 392.467 1.981 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1n[nH]c2c1CCCC2 ZINC001571316672 946583885 /nfs/dbraw/zinc/58/38/85/946583885.db2.gz JOIYECPIBWNGRD-OAHLLOKOSA-N 0 1 392.467 1.473 20 0 GDADMN Cc1cncc(CC(=O)N2CC[C@@H](N(C)c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571316684 946584351 /nfs/dbraw/zinc/58/43/51/946584351.db2.gz JVWFOMWVZHLHJQ-MRXNPFEDSA-N 0 1 392.467 1.553 20 0 GDADMN CC(=O)Nc1cccc(CNS(=O)(=O)c2ccsc2-c2nn[nH]n2)c1 ZINC001573547212 946828453 /nfs/dbraw/zinc/82/84/53/946828453.db2.gz XIKJELGHHWXBFS-UHFFFAOYSA-N 0 1 378.439 1.365 20 0 GDADMN C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3F)C[C@H]2C1 ZINC000326898768 971342279 /nfs/dbraw/zinc/34/22/79/971342279.db2.gz KJMJIEXBOGZDAI-VHSXEESVSA-N 0 1 376.837 1.750 20 0 GDADMN C=C/C(C)=C\CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001573318088 947304338 /nfs/dbraw/zinc/30/43/38/947304338.db2.gz QBVFTVBZDWOUGU-CPSFFCFKSA-N 0 1 383.456 1.283 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000327045024 971359669 /nfs/dbraw/zinc/35/96/69/971359669.db2.gz XNHUPVUHOLIZGN-STQMWFEESA-N 0 1 388.873 1.952 20 0 GDADMN C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573591880 947324264 /nfs/dbraw/zinc/32/42/64/947324264.db2.gz HDHBMLGTELVDGG-JTQLQIEISA-N 0 1 382.419 1.266 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573593358 947369115 /nfs/dbraw/zinc/36/91/15/947369115.db2.gz RWQDQEJUHUFZNJ-VXGBXAGGSA-N 0 1 384.469 1.559 20 0 GDADMN C[C@@H](C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573594537 947398501 /nfs/dbraw/zinc/39/85/01/947398501.db2.gz PTKIGRWNYLNPBP-QFWMXSHPSA-N 0 1 384.469 1.345 20 0 GDADMN C[C@@H](C(=O)N(C)c1nc2c(cccc2Cl)s1)n1cnc(-c2nn[nH]n2)n1 ZINC001573602951 947475500 /nfs/dbraw/zinc/47/55/00/947475500.db2.gz CMZMTBCMUBANQC-ZETCQYMHSA-N 0 1 389.832 1.945 20 0 GDADMN C[C@@H](C(=O)N(C)c1ccc(Br)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573603679 947495401 /nfs/dbraw/zinc/49/54/01/947495401.db2.gz JOZRBOLGMLEICW-QMMMGPOBSA-N 0 1 377.206 1.445 20 0 GDADMN COc1cccc2c1CCN(C[C@H](O)COc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826217904 947642755 /nfs/dbraw/zinc/64/27/55/947642755.db2.gz HICVZIHMYWHZGR-INIZCTEOSA-N 0 1 381.436 1.673 20 0 GDADMN C[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573617878 947643173 /nfs/dbraw/zinc/64/31/73/947643173.db2.gz QAOLNRYBBNKBDA-CYBMUJFWSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573619663 947669921 /nfs/dbraw/zinc/66/99/21/947669921.db2.gz XBQPUNMNAKWPJQ-CXAGYDPISA-N 0 1 385.472 1.504 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573627500 947725288 /nfs/dbraw/zinc/72/52/88/947725288.db2.gz CQXPYWQPPWPFQB-DZGCQCFKSA-N 0 1 384.488 1.910 20 0 GDADMN CC(=O)CCCC(=O)N(C)[C@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573365783 947734452 /nfs/dbraw/zinc/73/44/52/947734452.db2.gz NQBYAYZLFAPYEA-GFCCVEGCSA-N 0 1 376.436 1.702 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573372965 947785684 /nfs/dbraw/zinc/78/56/84/947785684.db2.gz GONPKTWNHRAUJB-CQSZACIVSA-N 0 1 386.460 1.091 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573630511 947792183 /nfs/dbraw/zinc/79/21/83/947792183.db2.gz YJQUOLDXSJGASW-MNOVXSKESA-N 0 1 380.403 1.375 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(F)F ZINC001573665529 948075816 /nfs/dbraw/zinc/07/58/16/948075816.db2.gz LYCPAWGQQPMPJN-QWRGUYRKSA-N 0 1 380.403 1.423 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccnc1 ZINC001573670340 948101437 /nfs/dbraw/zinc/10/14/37/948101437.db2.gz AYVKKARVASQFHA-KBXCAEBGSA-N 0 1 377.452 1.756 20 0 GDADMN Cn1cc([C@@H]2CCN([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C2)cn1 ZINC000826360025 948117719 /nfs/dbraw/zinc/11/77/19/948117719.db2.gz VRXGMVNMZFTWEY-CRAIPNDOSA-N 0 1 392.467 1.585 20 0 GDADMN CC(C)[C@H](CNC(=O)[C@@H](C)c1ccsc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573680656 948184025 /nfs/dbraw/zinc/18/40/25/948184025.db2.gz PCUZUIIZYPRDOO-AAEUAGOBSA-N 0 1 386.485 1.497 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1)C1CC1 ZINC001573681291 948200111 /nfs/dbraw/zinc/20/01/11/948200111.db2.gz UMUKAUFYQGFCOG-IUODEOHRSA-N 0 1 378.440 1.394 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573690573 948226024 /nfs/dbraw/zinc/22/60/24/948226024.db2.gz DSZVCYINPYQKMP-IAQYHMDHSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CCC1 ZINC001573690617 948226878 /nfs/dbraw/zinc/22/68/78/948226878.db2.gz FKRCGBRFJWMZRQ-CBAPKCEASA-N 0 1 385.881 1.302 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)c1cnn(C)c1 ZINC001573692263 948259416 /nfs/dbraw/zinc/25/94/16/948259416.db2.gz NPYVSDGMSOETGF-NSHDSACASA-N 0 1 386.485 1.204 20 0 GDADMN C[C@@H](C(=O)NC[C@@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001573696148 948318728 /nfs/dbraw/zinc/31/87/28/948318728.db2.gz LONSHXYIDWKIJA-BLVKFPJESA-N 0 1 388.447 1.105 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573702917 948350174 /nfs/dbraw/zinc/35/01/74/948350174.db2.gz HNMIGZFECQVYQN-OCCSQVGLSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573704080 948364942 /nfs/dbraw/zinc/36/49/42/948364942.db2.gz OTXDLCSUGQIELY-NEPJUHHUSA-N 0 1 384.469 1.607 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573708430 948450365 /nfs/dbraw/zinc/45/03/65/948450365.db2.gz VFNUIWDUUZMVDO-VXGBXAGGSA-N 0 1 384.469 1.464 20 0 GDADMN C[C@@H](C(=O)NCCNc1ccncc1-c1nn[nH]n1)c1ccc(Cl)s1 ZINC001573717794 948509882 /nfs/dbraw/zinc/50/98/82/948509882.db2.gz NIJFYUBNKRAQEC-SECBINFHSA-N 0 1 377.861 1.730 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573741567 948655765 /nfs/dbraw/zinc/65/57/65/948655765.db2.gz CVXUOQDKGLAHBQ-MNOVXSKESA-N 0 1 387.394 1.682 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573747477 948690867 /nfs/dbraw/zinc/69/08/67/948690867.db2.gz VGNYTYAQVZBHLM-GUBZILKMSA-N 0 1 384.366 1.116 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCCCC1 ZINC001573748859 948698480 /nfs/dbraw/zinc/69/84/80/948698480.db2.gz VUNHJULFQARMCN-BMFZPTHFSA-N 0 1 384.488 1.585 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccc(F)c1 ZINC001573752982 948716430 /nfs/dbraw/zinc/71/64/30/948716430.db2.gz PXEBCDKNSQFVCS-LERXQTSPSA-N 0 1 382.403 1.081 20 0 GDADMN CC(C)c1cccc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574417165 948767014 /nfs/dbraw/zinc/76/70/14/948767014.db2.gz MUFUCIHYYAHCFV-UHFFFAOYSA-N 0 1 392.467 1.823 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679331 948777571 /nfs/dbraw/zinc/77/75/71/948777571.db2.gz SSJGQEHXJURFEY-HIFRSBDPSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679331 948777578 /nfs/dbraw/zinc/77/75/78/948777578.db2.gz SSJGQEHXJURFEY-HIFRSBDPSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679331 948777586 /nfs/dbraw/zinc/77/75/86/948777586.db2.gz SSJGQEHXJURFEY-HIFRSBDPSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679331 948777598 /nfs/dbraw/zinc/77/75/98/948777598.db2.gz SSJGQEHXJURFEY-HIFRSBDPSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574080378 948790790 /nfs/dbraw/zinc/79/07/90/948790790.db2.gz QBKQKXMTUFAGIQ-BXUZGUMPSA-N 0 1 376.440 1.372 20 0 GDADMN C[C@H](C(=O)Nc1cc2n[nH]cc2c(C(F)(F)F)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756169 948803212 /nfs/dbraw/zinc/80/32/12/948803212.db2.gz MTZYQKYWABEZNI-ZCFIWIBFSA-N 0 1 392.305 1.553 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574421988 948826446 /nfs/dbraw/zinc/82/64/46/948826446.db2.gz TZIHXXSTJYAMDV-GFCCVEGCSA-N 0 1 382.428 1.772 20 0 GDADMN CC(C)c1ccsc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574422318 948831083 /nfs/dbraw/zinc/83/10/83/948831083.db2.gz YRXZNHWEQYUAJD-LLVKDONJSA-N 0 1 386.485 1.836 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573764292 948886089 /nfs/dbraw/zinc/88/60/89/948886089.db2.gz LTAUJSYQJORBJN-TZMCWYRMSA-N 0 1 382.472 1.520 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)C1=COCCO1 ZINC001574684920 948897288 /nfs/dbraw/zinc/89/72/88/948897288.db2.gz PEGZTFKYRAGQEU-SSDOTTSWSA-N 0 1 385.837 1.172 20 0 GDADMN CC(C)c1ncc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)s1 ZINC001574427486 948902697 /nfs/dbraw/zinc/90/26/97/948902697.db2.gz GCTLSBGIWQZUAP-UHFFFAOYSA-N 0 1 387.473 1.445 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575237534 948947658 /nfs/dbraw/zinc/94/76/58/948947658.db2.gz HASHWVQEDCCKJQ-QWRGUYRKSA-N 0 1 380.403 1.211 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001575237990 948951883 /nfs/dbraw/zinc/95/18/83/948951883.db2.gz KJTOCUKTRPHGKW-MNOVXSKESA-N 0 1 392.414 1.353 20 0 GDADMN C[C@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574925978 948980968 /nfs/dbraw/zinc/98/09/68/948980968.db2.gz FOCFBDBRIDXQJJ-MRVPVSSYSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574925978 948980979 /nfs/dbraw/zinc/98/09/79/948980979.db2.gz FOCFBDBRIDXQJJ-MRVPVSSYSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574926364 948997830 /nfs/dbraw/zinc/99/78/30/948997830.db2.gz OMVRMESOIQHPOR-CYBMUJFWSA-N 0 1 391.495 1.925 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574926364 948997844 /nfs/dbraw/zinc/99/78/44/948997844.db2.gz OMVRMESOIQHPOR-CYBMUJFWSA-N 0 1 391.495 1.925 20 0 GDADMN CC(C)(C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001573774351 949007567 /nfs/dbraw/zinc/00/75/67/949007567.db2.gz NAYDWJYOCDNPOJ-HNNXBMFYSA-N 0 1 392.467 1.363 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCC1 ZINC001574694564 949084251 /nfs/dbraw/zinc/08/42/51/949084251.db2.gz RPZHZNOWLBOEMY-PBHICJAKSA-N 0 1 386.504 1.641 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574931193 949115194 /nfs/dbraw/zinc/11/51/94/949115194.db2.gz OIKMUVFCNPZPBD-ZDUSSCGKSA-N 0 1 390.463 1.949 20 0 GDADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001602793060 971552891 /nfs/dbraw/zinc/55/28/91/971552891.db2.gz OPCSOYCSPFUQMS-VHDGCEQUSA-N 0 1 399.451 1.036 20 0 GDADMN C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575253156 949182840 /nfs/dbraw/zinc/18/28/40/949182840.db2.gz IZOGJWGFMFGMAM-CHWSQXEVSA-N 0 1 378.440 1.116 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698317 949186745 /nfs/dbraw/zinc/18/67/45/949186745.db2.gz JAQQUILJIKKKSL-RYUDHWBXSA-N 0 1 384.419 1.280 20 0 GDADMN CC(C)c1ocnc1CNC1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574450273 949209810 /nfs/dbraw/zinc/20/98/10/949209810.db2.gz YKEZSLGGYZBLDM-UHFFFAOYSA-N 0 1 384.444 1.699 20 0 GDADMN CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574451271 949229325 /nfs/dbraw/zinc/22/93/25/949229325.db2.gz JOENARBXIJPSJO-SNVBAGLBSA-N 0 1 387.473 1.231 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC001575854434 949234831 /nfs/dbraw/zinc/23/48/31/949234831.db2.gz WVSOXAKHCIOFML-CQSZACIVSA-N 0 1 385.472 1.293 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001589604847 949235287 /nfs/dbraw/zinc/23/52/87/949235287.db2.gz IZGSNVWRHTWSHU-FOIQADDNSA-N 0 1 376.453 1.888 20 0 GDADMN CC(C)c1scnc1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574451730 949245188 /nfs/dbraw/zinc/24/51/88/949245188.db2.gz WFTUCYRPBQUZRK-JTQLQIEISA-N 0 1 387.473 1.491 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001574452946 949273269 /nfs/dbraw/zinc/27/32/69/949273269.db2.gz SGJMMFMSJDYQBK-KRWDZBQOSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574940641 949273451 /nfs/dbraw/zinc/27/34/51/949273451.db2.gz HZUAPPFETCTJGT-VIFPVBQESA-N 0 1 390.810 1.030 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574941535 949308987 /nfs/dbraw/zinc/30/89/87/949308987.db2.gz RQKVDQVKLATBDQ-SNVBAGLBSA-N 0 1 389.822 1.635 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001574457658 949330465 /nfs/dbraw/zinc/33/04/65/949330465.db2.gz MFSUVPKQYJGOFF-MRXNPFEDSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575260057 949344678 /nfs/dbraw/zinc/34/46/78/949344678.db2.gz TZRIQPMQUDWNQD-SFYZADRCSA-N 0 1 383.865 1.628 20 0 GDADMN CC(C)(C)C(=O)N1CCO[C@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573796961 949345092 /nfs/dbraw/zinc/34/50/92/949345092.db2.gz YLWHHDMIHYZTRB-CQSZACIVSA-N 0 1 376.436 1.369 20 0 GDADMN CC(C)n1ccc(CNC2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC2)n1 ZINC001574459345 949352182 /nfs/dbraw/zinc/35/21/82/949352182.db2.gz BIXNMZGPUYOVOK-UHFFFAOYSA-N 0 1 383.460 1.415 20 0 GDADMN CC(C)n1ccc(CN[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C2CC2)n1 ZINC001574459800 949361478 /nfs/dbraw/zinc/36/14/78/949361478.db2.gz KYKGCXDCQXYUSP-MRXNPFEDSA-N 0 1 383.460 1.270 20 0 GDADMN CC1(C)CN(C(=O)C2(C)CCCCC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575528186 949388944 /nfs/dbraw/zinc/38/89/44/949388944.db2.gz OAENAFFRFAJUBE-CYBMUJFWSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575866081 949392286 /nfs/dbraw/zinc/39/22/86/949392286.db2.gz CNTHKTYERKVHJO-FZMZJTMJSA-N 0 1 382.472 1.566 20 0 GDADMN CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575528288 949395426 /nfs/dbraw/zinc/39/54/26/949395426.db2.gz QSTOBDZDZMXWPR-FQUUOJAGSA-N 0 1 380.456 1.130 20 0 GDADMN CC(C)(C)C(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573801790 949402378 /nfs/dbraw/zinc/40/23/78/949402378.db2.gz CPTYMTNKBWTREM-GOSISDBHSA-N 0 1 376.436 1.105 20 0 GDADMN CC1(C(=O)N2CC[C@H](CCNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575534173 949423080 /nfs/dbraw/zinc/42/30/80/949423080.db2.gz KQOMSXMPCXWHCS-AWEZNQCLSA-N 0 1 385.472 1.151 20 0 GDADMN CC(C)n1cnc(C(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574465047 949426579 /nfs/dbraw/zinc/42/65/79/949426579.db2.gz UQTPRBHJAIMCBD-UHFFFAOYSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)C1=NN(C)CC1=O ZINC001575264740 949433357 /nfs/dbraw/zinc/43/33/57/949433357.db2.gz PWEINVJVXDKINZ-FZMZJTMJSA-N 0 1 382.428 1.152 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574465185 949433482 /nfs/dbraw/zinc/43/34/82/949433482.db2.gz RUWUNQYEXUCURO-LBPRGKRZSA-N 0 1 389.485 1.191 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574706488 949458101 /nfs/dbraw/zinc/45/81/01/949458101.db2.gz ZALYICJVQHPDDF-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CC12CCOCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574706488 949458120 /nfs/dbraw/zinc/45/81/20/949458120.db2.gz ZALYICJVQHPDDF-TZMCWYRMSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575868725 949460545 /nfs/dbraw/zinc/46/05/45/949460545.db2.gz OPHIOTAJSWWREK-QWRGUYRKSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574707856 949479028 /nfs/dbraw/zinc/47/90/28/949479028.db2.gz RDSWFWQWGLPHDA-CZUORRHYSA-N 0 1 392.467 1.458 20 0 GDADMN CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1c1ccccc1 ZINC001573806138 949479733 /nfs/dbraw/zinc/47/97/33/949479733.db2.gz GXGSNNNKUSKJMJ-LSDHHAIUSA-N 0 1 392.467 1.791 20 0 GDADMN CC(C)(C)C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1F ZINC001573806153 949480094 /nfs/dbraw/zinc/48/00/94/949480094.db2.gz HZKHWUOYTQGADV-UHFFFAOYSA-N 0 1 384.419 1.492 20 0 GDADMN C[C@@H](CNC(=O)Cn1cccn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574949375 949491702 /nfs/dbraw/zinc/49/17/02/949491702.db2.gz VGUAVRXLFDETJE-QMMMGPOBSA-N 0 1 381.853 1.038 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575871607 949516766 /nfs/dbraw/zinc/51/67/66/949516766.db2.gz AWMIZNFCPRDXLD-LRDDRELGSA-N 0 1 390.463 1.636 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574711097 949522933 /nfs/dbraw/zinc/52/29/33/949522933.db2.gz DCPFSXNBCXKCRF-CYBMUJFWSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574711097 949522954 /nfs/dbraw/zinc/52/29/54/949522954.db2.gz DCPFSXNBCXKCRF-CYBMUJFWSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F ZINC001574122437 949524906 /nfs/dbraw/zinc/52/49/06/949524906.db2.gz WJDCCSONFVWTBZ-LLVKDONJSA-N 0 1 380.403 1.281 20 0 GDADMN CC(C)CC(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574123023 949534364 /nfs/dbraw/zinc/53/43/64/949534364.db2.gz BJPNQOLLVKXISU-UHFFFAOYSA-N 0 1 378.440 1.839 20 0 GDADMN C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575269650 949557430 /nfs/dbraw/zinc/55/74/30/949557430.db2.gz WCDKORGHCLQOOT-RKDXNWHRSA-N 0 1 384.366 1.116 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164893 949560115 /nfs/dbraw/zinc/56/01/15/949560115.db2.gz IEWVZEJNEDELPG-OLZOCXBDSA-N 0 1 388.451 1.257 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575270448 949590390 /nfs/dbraw/zinc/59/03/90/949590390.db2.gz ZTHXXRGELIBCAL-DGCLKSJQSA-N 0 1 376.486 1.434 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575874155 949603404 /nfs/dbraw/zinc/60/34/04/949603404.db2.gz RSRUEFYEIGZZQI-UKRRQHHQSA-N 0 1 378.440 1.429 20 0 GDADMN C[C@@H](CC(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1F ZINC001574476820 949621846 /nfs/dbraw/zinc/62/18/46/949621846.db2.gz HKWOJHXSSRKOSN-LBPRGKRZSA-N 0 1 384.419 1.282 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574714098 949623893 /nfs/dbraw/zinc/62/38/93/949623893.db2.gz CBHJZHMNMFWZPD-OLZOCXBDSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574714098 949623905 /nfs/dbraw/zinc/62/39/05/949623905.db2.gz CBHJZHMNMFWZPD-OLZOCXBDSA-N 0 1 378.502 1.824 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnco1 ZINC001573812909 949625514 /nfs/dbraw/zinc/62/55/14/949625514.db2.gz WBDRJDDYQRRUFC-CYBMUJFWSA-N 0 1 375.458 1.851 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnco1 ZINC001573812909 949625525 /nfs/dbraw/zinc/62/55/25/949625525.db2.gz WBDRJDDYQRRUFC-CYBMUJFWSA-N 0 1 375.458 1.851 20 0 GDADMN C[C@H](NC(=O)CC[C@H]1CCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575272318 949640082 /nfs/dbraw/zinc/64/00/82/949640082.db2.gz OWBITNMJVRUFJO-GXTWGEPZSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1nccs1 ZINC001576169004 949659251 /nfs/dbraw/zinc/65/92/51/949659251.db2.gz DKYRSVSRWODQHM-FZMZJTMJSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575273264 949659391 /nfs/dbraw/zinc/65/93/91/949659391.db2.gz VEHMCXZJVMCBLR-BDAKNGLRSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575273264 949659404 /nfs/dbraw/zinc/65/94/04/949659404.db2.gz VEHMCXZJVMCBLR-BDAKNGLRSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574958281 949661414 /nfs/dbraw/zinc/66/14/14/949661414.db2.gz ORNYFARRRUPSAW-KGLIPLIRSA-N 0 1 381.440 1.206 20 0 GDADMN C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717041 949722223 /nfs/dbraw/zinc/72/22/23/949722223.db2.gz SOSLKJCOEQYFAT-SNVBAGLBSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576170596 949729626 /nfs/dbraw/zinc/72/96/26/949729626.db2.gz MCWMUKMAXMEJSJ-TUVASFSCSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574480435 949747365 /nfs/dbraw/zinc/74/73/65/949747365.db2.gz IJXTZFABPPTHMD-GDBMZVCRSA-N 0 1 392.467 1.888 20 0 GDADMN C[C@]1(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CCCC2)CCOC1 ZINC001575558821 949747626 /nfs/dbraw/zinc/74/76/26/949747626.db2.gz SMSVKRRYTLTKNF-APWZRJJASA-N 0 1 385.472 1.197 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573820337 949763555 /nfs/dbraw/zinc/76/35/55/949763555.db2.gz YDCMBSBIQMFQGY-AVRGHOLYSA-N 0 1 385.472 1.194 20 0 GDADMN C[C@@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOC1 ZINC001575559915 949771053 /nfs/dbraw/zinc/77/10/53/949771053.db2.gz ZECSUAUMOQYFFJ-CXAGYDPISA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOC1 ZINC001575559915 949771072 /nfs/dbraw/zinc/77/10/72/949771072.db2.gz ZECSUAUMOQYFFJ-CXAGYDPISA-N 0 1 376.486 1.339 20 0 GDADMN C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001576171740 949776300 /nfs/dbraw/zinc/77/63/00/949776300.db2.gz RNIDEVZIDFONSM-UONOGXRCSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574965806 949818811 /nfs/dbraw/zinc/81/88/11/949818811.db2.gz MISGLZASCSUXAO-JTQLQIEISA-N 0 1 386.485 1.447 20 0 GDADMN C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574965806 949818831 /nfs/dbraw/zinc/81/88/31/949818831.db2.gz MISGLZASCSUXAO-JTQLQIEISA-N 0 1 386.485 1.447 20 0 GDADMN CC(C)(C)C1CC(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573824465 949854432 /nfs/dbraw/zinc/85/44/32/949854432.db2.gz GDVPDDUGGFTKLF-JXQTWKCFSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574484080 949862309 /nfs/dbraw/zinc/86/23/09/949862309.db2.gz SXJAMHOBUNFVPK-CQSZACIVSA-N 0 1 378.440 1.499 20 0 GDADMN CC(C)(C)C1CC(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573825450 949879960 /nfs/dbraw/zinc/87/99/60/949879960.db2.gz WDRRDSUNBSPJQY-RUXDESIVSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574484649 949891399 /nfs/dbraw/zinc/89/13/99/949891399.db2.gz LKMKLHAFKSRPJV-CHWSQXEVSA-N 0 1 382.428 1.268 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)CC2(C)C)CCOC1 ZINC001575569104 949909929 /nfs/dbraw/zinc/90/99/29/949909929.db2.gz GFHFUOOSTXJTCJ-HNAYVOBHSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727643 949976770 /nfs/dbraw/zinc/97/67/70/949976770.db2.gz WSTWMOJFIYTPLL-LBPRGKRZSA-N 0 1 385.403 1.161 20 0 GDADMN C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181697 950019881 /nfs/dbraw/zinc/01/98/81/950019881.db2.gz JDPXVEJIAAEPOT-JSGCOSHPSA-N 0 1 384.488 1.411 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCOC1 ZINC001574150307 950026918 /nfs/dbraw/zinc/02/69/18/950026918.db2.gz BERLSXTXJMKTKW-UONOGXRCSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCOC1 ZINC001574150307 950026939 /nfs/dbraw/zinc/02/69/39/950026939.db2.gz BERLSXTXJMKTKW-UONOGXRCSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574730403 950034284 /nfs/dbraw/zinc/03/42/84/950034284.db2.gz RXCDNJLMAHUDKP-NSHDSACASA-N 0 1 386.847 1.234 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182045 950035936 /nfs/dbraw/zinc/03/59/36/950035936.db2.gz KRSNWDUNFWDPEE-OLZOCXBDSA-N 0 1 388.451 1.115 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cnoc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574730912 950042100 /nfs/dbraw/zinc/04/21/00/950042100.db2.gz SQNGPFNABRAMBY-ZETCQYMHSA-N 0 1 382.837 1.466 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574730980 950043635 /nfs/dbraw/zinc/04/36/35/950043635.db2.gz UVELFOIDBFUWRE-SECBINFHSA-N 0 1 392.876 1.295 20 0 GDADMN C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCCC2)CCOC1 ZINC001575576189 950067631 /nfs/dbraw/zinc/06/76/31/950067631.db2.gz PCRZAOBLHJSXGL-QGZVFWFLSA-N 0 1 390.513 1.873 20 0 GDADMN C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCCC2)CCOC1 ZINC001575576189 950067638 /nfs/dbraw/zinc/06/76/38/950067638.db2.gz PCRZAOBLHJSXGL-QGZVFWFLSA-N 0 1 390.513 1.873 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ncc[nH]1 ZINC001574151354 950071929 /nfs/dbraw/zinc/07/19/29/950071929.db2.gz PUGLEYGDQKKRGF-AWEZNQCLSA-N 0 1 386.435 1.663 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184591 950134505 /nfs/dbraw/zinc/13/45/05/950134505.db2.gz WRXUUKJMPLUXJE-TZMCWYRMSA-N 0 1 381.444 1.150 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575584047 950161777 /nfs/dbraw/zinc/16/17/77/950161777.db2.gz ORQUSAZNNJAWGA-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575584047 950161784 /nfs/dbraw/zinc/16/17/84/950161784.db2.gz ORQUSAZNNJAWGA-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575584047 950161793 /nfs/dbraw/zinc/16/17/93/950161793.db2.gz ORQUSAZNNJAWGA-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575584047 950161800 /nfs/dbraw/zinc/16/18/00/950161800.db2.gz ORQUSAZNNJAWGA-FZKQIMNGSA-N 0 1 390.513 1.683 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001574154661 950175448 /nfs/dbraw/zinc/17/54/48/950175448.db2.gz FSTZWNDFLFOUFE-HNNXBMFYSA-N 0 1 380.456 1.320 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575899745 950177788 /nfs/dbraw/zinc/17/77/88/950177788.db2.gz YMWUTEHSSMDSPP-CJNGLKHVSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1ccc(F)cc1F ZINC001574739515 950195519 /nfs/dbraw/zinc/19/55/19/950195519.db2.gz QQZKFSGMUHIXHT-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCC12CC2 ZINC001574156108 950224075 /nfs/dbraw/zinc/22/40/75/950224075.db2.gz WXLYHQUKULXRAN-KBPBESRZSA-N 0 1 384.488 1.602 20 0 GDADMN CC1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575586490 950225619 /nfs/dbraw/zinc/22/56/19/950225619.db2.gz JHIRKHMMWIZDKC-JTQLQIEISA-N 0 1 378.387 1.035 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C(F)F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574740707 950230671 /nfs/dbraw/zinc/23/06/71/950230671.db2.gz FGIAVUMVOQRCHR-ICCXJUOJSA-N 0 1 382.390 1.844 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575587228 950234889 /nfs/dbraw/zinc/23/48/89/950234889.db2.gz MJJUQDGANJPYPX-BFUOFWGJSA-N 0 1 388.447 1.371 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573845588 950237310 /nfs/dbraw/zinc/23/73/10/950237310.db2.gz HWNKLOBTXVVOOH-BFHYXJOUSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)n1cccn1 ZINC001574157816 950256098 /nfs/dbraw/zinc/25/60/98/950256098.db2.gz JFLDWOPEDPOKFP-KGLIPLIRSA-N 0 1 383.460 1.084 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574157871 950259184 /nfs/dbraw/zinc/25/91/84/950259184.db2.gz KJMZFIXKMDYRIP-HUUCEWRRSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574158010 950267544 /nfs/dbraw/zinc/26/75/44/950267544.db2.gz MWSUJYUUCSIIMZ-GJZGRUSLSA-N 0 1 387.488 1.586 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574158037 950269556 /nfs/dbraw/zinc/26/95/56/950269556.db2.gz NDIGEAIXLZGZGP-CABCVRRESA-N 0 1 382.472 1.689 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574498827 950283108 /nfs/dbraw/zinc/28/31/08/950283108.db2.gz PZORIFUEKSLHKP-ABAIWWIYSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905080 950285730 /nfs/dbraw/zinc/28/57/30/950285730.db2.gz BDMQTDSHBVQEFA-RISCZKNCSA-N 0 1 386.485 1.363 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575905080 950285745 /nfs/dbraw/zinc/28/57/45/950285745.db2.gz BDMQTDSHBVQEFA-RISCZKNCSA-N 0 1 386.485 1.363 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263156070 950301616 /nfs/dbraw/zinc/30/16/16/950301616.db2.gz FTVCFSWXXPHTCC-BZUAXINKSA-N 0 1 377.460 1.905 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193941 950322189 /nfs/dbraw/zinc/32/21/89/950322189.db2.gz WSBKSYRHEZJMBN-NEPJUHHUSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@H](CC(=O)NCCCNc1ccncc1-c1nn[nH]n1)c1cccc(F)c1 ZINC001574501964 950354006 /nfs/dbraw/zinc/35/40/06/950354006.db2.gz HZUAMZHNUREBMK-CYBMUJFWSA-N 0 1 383.431 1.935 20 0 GDADMN C[C@H]1[C@H](NCc2nccn2C(F)F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908192 950356395 /nfs/dbraw/zinc/35/63/95/950356395.db2.gz AWNSOBFPCLSYKX-GXSJLCMTSA-N 0 1 391.386 1.179 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(C(F)F)[nH]n1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574744796 950362253 /nfs/dbraw/zinc/36/22/53/950362253.db2.gz BNLUBQVXJNLOFO-QMMMGPOBSA-N 0 1 377.359 1.495 20 0 GDADMN CC(C)CC1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001574162872 950410724 /nfs/dbraw/zinc/41/07/24/950410724.db2.gz KUMJOQBJVFTVBE-AWEZNQCLSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)CCOC1 ZINC001575605744 950480044 /nfs/dbraw/zinc/48/00/44/950480044.db2.gz RRTOKCMKFYNSTE-RMLUDKJBSA-N 0 1 383.865 1.098 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc[nH]c(=O)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574752399 950481505 /nfs/dbraw/zinc/48/15/05/950481505.db2.gz WNGGNJYEXMFOJD-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN CC(C)(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1nn[nH]n1 ZINC001573866730 950509611 /nfs/dbraw/zinc/50/96/11/950509611.db2.gz KIQOHWKKYLYIFA-IYBDPMFKSA-N 0 1 384.484 1.857 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001576205422 950518806 /nfs/dbraw/zinc/51/88/06/950518806.db2.gz ITGUSMGWFIOKIG-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576205422 950518851 /nfs/dbraw/zinc/51/88/51/950518851.db2.gz ITGUSMGWFIOKIG-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001576205422 950518869 /nfs/dbraw/zinc/51/88/69/950518869.db2.gz ITGUSMGWFIOKIG-DTWKUNHWSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575609238 950525677 /nfs/dbraw/zinc/52/56/77/950525677.db2.gz WUPIHFBBDFNOIZ-ZSDSOXJFSA-N 0 1 389.463 1.647 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574509817 950528603 /nfs/dbraw/zinc/52/86/03/950528603.db2.gz YMAZUBSSAVIGBY-GMTAPVOTSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574509822 950534444 /nfs/dbraw/zinc/53/44/44/950534444.db2.gz YNRNPFOSXWPXGA-FMKPAKJESA-N 0 1 392.467 1.579 20 0 GDADMN CC1CCN(CC(=O)NC2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)CC1 ZINC001576205686 950534364 /nfs/dbraw/zinc/53/43/64/950534364.db2.gz MMSQHUKEQCHWFN-UHFFFAOYSA-N 0 1 387.463 1.038 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)CC(F)(F)C1 ZINC001575614571 950536905 /nfs/dbraw/zinc/53/69/05/950536905.db2.gz IPHHNHQYSKVOIL-VWYCJHECSA-N 0 1 390.398 1.318 20 0 GDADMN C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575916857 950550737 /nfs/dbraw/zinc/55/07/37/950550737.db2.gz SSNWBNONICXYNZ-QWHCGFSZSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575916857 950550749 /nfs/dbraw/zinc/55/07/49/950550749.db2.gz SSNWBNONICXYNZ-QWHCGFSZSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)on1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574998890 950564759 /nfs/dbraw/zinc/56/47/59/950564759.db2.gz CDABPNKUBYITNR-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573870141 950586093 /nfs/dbraw/zinc/58/60/93/950586093.db2.gz FENMUYUSCNGRPZ-ZSOGYDGISA-N 0 1 390.513 1.537 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573870141 950586111 /nfs/dbraw/zinc/58/61/11/950586111.db2.gz FENMUYUSCNGRPZ-ZSOGYDGISA-N 0 1 390.513 1.537 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573870141 950586126 /nfs/dbraw/zinc/58/61/26/950586126.db2.gz FENMUYUSCNGRPZ-ZSOGYDGISA-N 0 1 390.513 1.537 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573870141 950586138 /nfs/dbraw/zinc/58/61/38/950586138.db2.gz FENMUYUSCNGRPZ-ZSOGYDGISA-N 0 1 390.513 1.537 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575000092 950594804 /nfs/dbraw/zinc/59/48/04/950594804.db2.gz OYNQTOFIBNTBPF-SNVBAGLBSA-N 0 1 386.485 1.779 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001575919361 950609791 /nfs/dbraw/zinc/60/97/91/950609791.db2.gz HAPNOXNDHBCURI-AAEUAGOBSA-N 0 1 384.469 1.174 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCC1CCCCC1 ZINC001575919395 950615002 /nfs/dbraw/zinc/61/50/02/950615002.db2.gz HPZXYWTXJCNKHG-UKRRQHHQSA-N 0 1 384.488 1.840 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001237 950626589 /nfs/dbraw/zinc/62/65/89/950626589.db2.gz IXBOZHVVPKACPW-NSHDSACASA-N 0 1 385.497 1.995 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001237 950626598 /nfs/dbraw/zinc/62/65/98/950626598.db2.gz IXBOZHVVPKACPW-NSHDSACASA-N 0 1 385.497 1.995 20 0 GDADMN CC(C)(C)OCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573871787 950629165 /nfs/dbraw/zinc/62/91/65/950629165.db2.gz WVWVDJGTFBBBTK-UHFFFAOYSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)OCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573871787 950629176 /nfs/dbraw/zinc/62/91/76/950629176.db2.gz WVWVDJGTFBBBTK-UHFFFAOYSA-N 0 1 378.502 1.728 20 0 GDADMN CC1(C)C2CCC1(C(=O)NCC1(Nc3ccnc(-c4nn[nH]n4)n3)CC1)CC2 ZINC001575622589 950640154 /nfs/dbraw/zinc/64/01/54/950640154.db2.gz DIVGIGLAWGKAOX-UHFFFAOYSA-N 0 1 382.472 1.356 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001575922147 950644519 /nfs/dbraw/zinc/64/45/19/950644519.db2.gz OUFRFVYSZUCTCI-STQMWFEESA-N 0 1 381.444 1.176 20 0 GDADMN CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@H](C(=O)[O-])[C@@H](C)C3)cc2)CC1 ZINC001589744559 950659025 /nfs/dbraw/zinc/65/90/25/950659025.db2.gz SEOBRHXQESSZJH-LPHOPBHVSA-N 0 1 388.512 1.810 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC001575925842 950692028 /nfs/dbraw/zinc/69/20/28/950692028.db2.gz VGIGYJVRWXVYMK-RISCZKNCSA-N 0 1 389.423 1.275 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573878465 950708604 /nfs/dbraw/zinc/70/86/04/950708604.db2.gz PXQLVOBSCMPOGH-BFHYXJOUSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001574520092 950713927 /nfs/dbraw/zinc/71/39/27/950713927.db2.gz LMYBGPXXQPKGBS-MRVPVSSYSA-N 0 1 383.480 1.930 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C2CCCC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216345 950732931 /nfs/dbraw/zinc/73/29/31/950732931.db2.gz DJSNSEFMDVASRP-GXTWGEPZSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC001575927110 950736517 /nfs/dbraw/zinc/73/65/17/950736517.db2.gz NMJUUAZXKPROCD-CXAGYDPISA-N 0 1 392.467 1.465 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575927316 950738424 /nfs/dbraw/zinc/73/84/24/950738424.db2.gz OZTROQKUHSXWJJ-NHYWBVRUSA-N 0 1 379.424 1.480 20 0 GDADMN CC(C)c1noc([C@@H](C)NC[C@H](C)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001575009094 950774830 /nfs/dbraw/zinc/77/48/30/950774830.db2.gz NHKWJSJCJHBSRS-WDEREUQCSA-N 0 1 387.448 1.418 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2[C@H]3CN(Cc4cc(-c5nn[nH]n5)ccc4F)C[C@H]32)C1 ZINC001575631511 950776058 /nfs/dbraw/zinc/77/60/58/950776058.db2.gz NEQXNNCXSGVGNX-QLPKVWCKSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931522 950813917 /nfs/dbraw/zinc/81/39/17/950813917.db2.gz IKWSRUSMWJQINX-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)CC[NH+](C)C ZINC001575931522 950813940 /nfs/dbraw/zinc/81/39/40/950813940.db2.gz IKWSRUSMWJQINX-DTWKUNHWSA-N 0 1 384.897 1.330 20 0 GDADMN CC1(C)CC(CC(=O)NCCC2(CNc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001575633292 950816060 /nfs/dbraw/zinc/81/60/60/950816060.db2.gz RIKQEZANUOZRHY-UHFFFAOYSA-N 0 1 384.488 1.603 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cnn(C)c1 ZINC001574523477 950820951 /nfs/dbraw/zinc/82/09/51/950820951.db2.gz NWWHSNDLWJWCDZ-VXGBXAGGSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cnn(C)c1 ZINC001574523477 950820975 /nfs/dbraw/zinc/82/09/75/950820975.db2.gz NWWHSNDLWJWCDZ-VXGBXAGGSA-N 0 1 388.501 1.277 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cncnc1 ZINC001575932200 950823398 /nfs/dbraw/zinc/82/33/98/950823398.db2.gz KKIUPQHCWMXKEE-APPZFPTMSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576221741 950860575 /nfs/dbraw/zinc/86/05/75/950860575.db2.gz WMPMKEUBPABFGZ-VXGBXAGGSA-N 0 1 384.488 1.410 20 0 GDADMN C[C@H](CN(C)C(=O)c1sccc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767645 950864712 /nfs/dbraw/zinc/86/47/12/950864712.db2.gz PLPLUHGPJYDWHK-SNVBAGLBSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](CN(C)C[C@@H](O)c1ccccc1F)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574767741 950864994 /nfs/dbraw/zinc/86/49/94/950864994.db2.gz QBNPYRVQDSWZGG-BDJLRTHQSA-N 0 1 387.419 1.118 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574767825 950870433 /nfs/dbraw/zinc/87/04/33/950870433.db2.gz QTNPOSJYHKJTMJ-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN CC1(C)C[C@@H](NC(=O)[C@@H]2CC23CC3)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639663 950880705 /nfs/dbraw/zinc/88/07/05/950880705.db2.gz VQNCERFLWJQIMI-STQMWFEESA-N 0 1 382.472 1.568 20 0 GDADMN CC(C)(CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573893869 950907536 /nfs/dbraw/zinc/90/75/36/950907536.db2.gz ZYQAAWNWJTXYCD-ZDUSSCGKSA-N 0 1 384.488 1.555 20 0 GDADMN CC1(C)C[C@@H](NC(=O)[C@@H]2CCOC2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575641353 950915153 /nfs/dbraw/zinc/91/51/53/950915153.db2.gz OHRYOSPISKFFGF-KGLIPLIRSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@@H](CN(C)Cc1cc(F)cc(F)c1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574771646 950933309 /nfs/dbraw/zinc/93/33/09/950933309.db2.gz ILTYYOZKFLKBMH-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN CC(C)(CC(=O)NCCNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1 ZINC001573900154 950997539 /nfs/dbraw/zinc/99/75/39/950997539.db2.gz RIJFSODBYPRZOD-UHFFFAOYSA-N 0 1 384.419 1.114 20 0 GDADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@@H]1CCCCO1 ZINC001574774443 951002902 /nfs/dbraw/zinc/00/29/02/951002902.db2.gz CNLMVFCDILGWAT-HIFRSBDPSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O)C1CC1 ZINC001573900380 951005271 /nfs/dbraw/zinc/00/52/71/951005271.db2.gz YZOLMGKWHTYTCD-IAGOWNOFSA-N 0 1 384.484 1.354 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001575018621 951021739 /nfs/dbraw/zinc/02/17/39/951021739.db2.gz MWOFCQDCGFPMFE-SECBINFHSA-N 0 1 392.345 1.328 20 0 GDADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+]1CC[C@](COC)(C(=O)[O-])C1 ZINC001591092157 951065089 /nfs/dbraw/zinc/06/50/89/951065089.db2.gz RGAFWCDIXOXBGP-XIKOKIGWSA-N 0 1 398.481 1.983 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)cn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575023996 951088724 /nfs/dbraw/zinc/08/87/24/951088724.db2.gz UQRUZLMDBUVUTB-JTQLQIEISA-N 0 1 389.822 1.962 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)CNc1ccncc1-c1nn[nH]n1 ZINC001575024613 951109851 /nfs/dbraw/zinc/10/98/51/951109851.db2.gz JGAMBPQQRUJVIE-CYBMUJFWSA-N 0 1 392.467 1.154 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(F)c1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025808 951132453 /nfs/dbraw/zinc/13/24/53/951132453.db2.gz AZCGRWJQXZTPHH-SECBINFHSA-N 0 1 390.810 1.349 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(=O)[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575026683 951145272 /nfs/dbraw/zinc/14/52/72/951145272.db2.gz MBSJEYCUNNKKEM-LURJTMIESA-N 0 1 380.821 1.308 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@@]2(C)CO)c(C(=O)[O-])c1C ZINC001591466780 951149214 /nfs/dbraw/zinc/14/92/14/951149214.db2.gz NHCCREUTICKEJY-KRWDZBQOSA-N 0 1 384.454 1.717 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@@]2(C)CO)c(C(=O)[O-])c1C ZINC001591466780 951149223 /nfs/dbraw/zinc/14/92/23/951149223.db2.gz NHCCREUTICKEJY-KRWDZBQOSA-N 0 1 384.454 1.717 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027650 951162935 /nfs/dbraw/zinc/16/29/35/951162935.db2.gz HLDGBDCNBYHPBD-QMMMGPOBSA-N 0 1 376.783 1.102 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CO1 ZINC001595006850 951211236 /nfs/dbraw/zinc/21/12/36/951211236.db2.gz WEXBJYGBLXHUTB-RCCFBDPRSA-N 0 1 376.453 1.139 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575042387 951361479 /nfs/dbraw/zinc/36/14/79/951361479.db2.gz IUKCWYGQANZDRE-GFCCVEGCSA-N 0 1 383.460 1.019 20 0 GDADMN C[C@H](CNC(=O)c1cn2ccccc2n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575044664 951417552 /nfs/dbraw/zinc/41/75/52/951417552.db2.gz UTDCRCLXWPOGQM-GFCCVEGCSA-N 0 1 377.412 1.164 20 0 GDADMN C[C@H](CNC(=O)c1cncnc1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575045356 951424842 /nfs/dbraw/zinc/42/48/42/951424842.db2.gz AJZBVZCBMMXCHV-SSDOTTSWSA-N 0 1 379.837 1.245 20 0 GDADMN C[C@@H](CNC(=O)c1cncn1C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575047142 951451840 /nfs/dbraw/zinc/45/18/40/951451840.db2.gz XQUVOGPASDOEGQ-ZETCQYMHSA-N 0 1 381.853 1.188 20 0 GDADMN C[C@H](CNC(=O)c1cncs1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575054577 951494812 /nfs/dbraw/zinc/49/48/12/951494812.db2.gz YLULPTIARMFFCX-ZCFIWIBFSA-N 0 1 384.878 1.688 20 0 GDADMN C[C@@H](CNC(=O)c1cnn2c1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575055470 951506512 /nfs/dbraw/zinc/50/65/12/951506512.db2.gz VBJWPECPQGTBLV-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1cnn2c1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575055470 951506515 /nfs/dbraw/zinc/50/65/15/951506515.db2.gz VBJWPECPQGTBLV-NSHDSACASA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575058090 951536125 /nfs/dbraw/zinc/53/61/25/951536125.db2.gz URTYFKJPMWIWCO-LLVKDONJSA-N 0 1 384.444 1.447 20 0 GDADMN C[C@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575059286 951540725 /nfs/dbraw/zinc/54/07/25/951540725.db2.gz YUHKEWSCJYYUED-NSHDSACASA-N 0 1 382.428 1.417 20 0 GDADMN C[C@@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067331 951608416 /nfs/dbraw/zinc/60/84/16/951608416.db2.gz KSJWSQXLZXWYEY-LBPRGKRZSA-N 0 1 381.444 1.049 20 0 GDADMN C[C@H](CNC(=O)c1ncc2n1CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067330 951609402 /nfs/dbraw/zinc/60/94/02/951609402.db2.gz KSJWSQXLZXWYEY-GFCCVEGCSA-N 0 1 381.444 1.049 20 0 GDADMN C[C@H](CNC(=O)c1nccs1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575068305 951634599 /nfs/dbraw/zinc/63/45/99/951634599.db2.gz ZSXHIZJDWVOWGX-ZCFIWIBFSA-N 0 1 384.878 1.911 20 0 GDADMN C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575069182 951642241 /nfs/dbraw/zinc/64/22/41/951642241.db2.gz HBVJHOJIDUGOJA-SNVBAGLBSA-N 0 1 384.469 1.496 20 0 GDADMN C[C@@H](CNC(=O)c1onc2c1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575070225 951650767 /nfs/dbraw/zinc/65/07/67/951650767.db2.gz PNAXBFOTEWMCON-LLVKDONJSA-N 0 1 382.428 1.028 20 0 GDADMN O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1=O ZINC001595092230 951788819 /nfs/dbraw/zinc/78/88/19/951788819.db2.gz ZWWJKBRJWWRZOV-IAGOWNOFSA-N 0 1 394.516 1.548 20 0 GDADMN O=C([O-])CN1CCCC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)C1=O ZINC001595096454 951818618 /nfs/dbraw/zinc/81/86/18/951818618.db2.gz JEZLCDPSABXTEI-NSHDSACASA-N 0 1 388.390 1.794 20 0 GDADMN C[C@@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098479 951823562 /nfs/dbraw/zinc/82/35/62/951823562.db2.gz DOJLIWQUZVWLOS-GFCCVEGCSA-N 0 1 386.485 1.193 20 0 GDADMN C[C@@H](CNC(=O)CCc1ncccn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098479 951823564 /nfs/dbraw/zinc/82/35/64/951823564.db2.gz DOJLIWQUZVWLOS-GFCCVEGCSA-N 0 1 386.485 1.193 20 0 GDADMN O=C([O-])CN1CCCC[C@@H]([NH2+]Cc2sc(N3CCCC3)nc2Cl)C1=O ZINC001595097083 951826962 /nfs/dbraw/zinc/82/69/62/951826962.db2.gz UOVMPVHMAXSDFT-LLVKDONJSA-N 0 1 386.905 1.952 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575099176 951829528 /nfs/dbraw/zinc/82/95/28/951829528.db2.gz IJBLNIKATNLULC-QWHCGFSZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575099176 951829538 /nfs/dbraw/zinc/82/95/38/951829538.db2.gz IJBLNIKATNLULC-QWHCGFSZSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cncc(F)c1 ZINC001575103061 951873754 /nfs/dbraw/zinc/87/37/54/951873754.db2.gz RNUOXSQNECCTDH-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cncc(F)c1 ZINC001575103061 951873761 /nfs/dbraw/zinc/87/37/61/951873761.db2.gz RNUOXSQNECCTDH-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1ccccc1 ZINC001575140409 952142693 /nfs/dbraw/zinc/14/26/93/952142693.db2.gz CVSQJPNQVJVPQW-CQSZACIVSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575144059 952160835 /nfs/dbraw/zinc/16/08/35/952160835.db2.gz FVRWAGVDFMBZMZ-GOSISDBHSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575144737 952170912 /nfs/dbraw/zinc/17/09/12/952170912.db2.gz XTEGMPDKEJRQNX-MNOVXSKESA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575144846 952171845 /nfs/dbraw/zinc/17/18/45/952171845.db2.gz MUYZJHXGPCUWGF-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575145478 952184847 /nfs/dbraw/zinc/18/48/47/952184847.db2.gz YIAOCIDNGXYBMG-DJJJIMSYSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575145834 952188891 /nfs/dbraw/zinc/18/88/91/952188891.db2.gz DHMXDIBAQIPXIR-GFCCVEGCSA-N 0 1 385.403 1.161 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCCc1ccccn1 ZINC001575147076 952198044 /nfs/dbraw/zinc/19/80/44/952198044.db2.gz POMNZMNMRLUIBQ-AWEZNQCLSA-N 0 1 380.456 1.360 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575147917 952202073 /nfs/dbraw/zinc/20/20/73/952202073.db2.gz WXKNREYSHWRRAU-ZDUSSCGKSA-N 0 1 380.456 1.322 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000382560613 971822520 /nfs/dbraw/zinc/82/25/20/971822520.db2.gz TWXXCLIGVREWPS-CYBMUJFWSA-N 0 1 378.454 1.393 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000382560613 971822521 /nfs/dbraw/zinc/82/25/21/971822521.db2.gz TWXXCLIGVREWPS-CYBMUJFWSA-N 0 1 378.454 1.393 20 0 GDADMN C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC001575189359 952456685 /nfs/dbraw/zinc/45/66/85/952456685.db2.gz OTNBKQJNDUNMMQ-NSHDSACASA-N 0 1 375.396 1.864 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001575196230 952475879 /nfs/dbraw/zinc/47/58/79/952475879.db2.gz FXAHVKUFLLRKGY-YRGRVCCFSA-N 0 1 382.428 1.069 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC1(F)F ZINC001571120049 952498320 /nfs/dbraw/zinc/49/83/20/952498320.db2.gz IPOCHJIQQSAQFF-GJZGRUSLSA-N 0 1 376.411 1.993 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575202074 952510149 /nfs/dbraw/zinc/51/01/49/952510149.db2.gz NBCZNETWGADLJC-CYBMUJFWSA-N 0 1 380.456 1.111 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC001575202293 952511235 /nfs/dbraw/zinc/51/12/35/952511235.db2.gz VEGMQYZRHXYKAQ-GFCCVEGCSA-N 0 1 391.439 1.485 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575202316 952513430 /nfs/dbraw/zinc/51/34/30/952513430.db2.gz VITFNJJKKRMDJV-LBPRGKRZSA-N 0 1 386.435 1.156 20 0 GDADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1)c1ccnnc1 ZINC001571121097 952515059 /nfs/dbraw/zinc/51/50/59/952515059.db2.gz WISJPRQFRHEJON-ZACQAIPSSA-N 0 1 376.424 1.192 20 0 GDADMN O=C(CN1C[C@@H]2CCC[C@]2(CO)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC001571121907 952521944 /nfs/dbraw/zinc/52/19/44/952521944.db2.gz DQCUJMAXBWNATP-APPDUMDISA-N 0 1 376.848 1.553 20 0 GDADMN CO[C@H](C)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC001571122830 952526297 /nfs/dbraw/zinc/52/62/97/952526297.db2.gz MEBVUDBSAPZVJU-GFCCVEGCSA-N 0 1 376.486 1.388 20 0 GDADMN CO[C@H](C)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC001571122830 952526300 /nfs/dbraw/zinc/52/63/00/952526300.db2.gz MEBVUDBSAPZVJU-GFCCVEGCSA-N 0 1 376.486 1.388 20 0 GDADMN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CCOCC1 ZINC001571124048 952533581 /nfs/dbraw/zinc/53/35/81/952533581.db2.gz YANYIBRYTGKIFX-BJHJDKERSA-N 0 1 376.486 1.339 20 0 GDADMN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CCOCC1 ZINC001571124048 952533586 /nfs/dbraw/zinc/53/35/86/952533586.db2.gz YANYIBRYTGKIFX-BJHJDKERSA-N 0 1 376.486 1.339 20 0 GDADMN Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)C3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124293 952535998 /nfs/dbraw/zinc/53/59/98/952535998.db2.gz DTUYCUYTWSQFOL-ZYHUDNBSSA-N 0 1 377.399 1.439 20 0 GDADMN CC1(C)CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571124548 952539710 /nfs/dbraw/zinc/53/97/10/952539710.db2.gz MINQVMSIXKQINN-DGCLKSJQSA-N 0 1 377.399 1.378 20 0 GDADMN CC1(C)CN(C(=O)[C@H]2CCC2(F)F)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571124550 952540341 /nfs/dbraw/zinc/54/03/41/952540341.db2.gz MINQVMSIXKQINN-YPMHNXCESA-N 0 1 377.399 1.378 20 0 GDADMN Cc1cc(N(C)[C@H]2CCN(C(=O)C3CC(F)(F)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124688 952542306 /nfs/dbraw/zinc/54/23/06/952542306.db2.gz REIBBWIHUNIJPK-LBPRGKRZSA-N 0 1 377.399 1.653 20 0 GDADMN Cc1ccnc(C(=O)N[C@@]2(C)CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571133972 952583214 /nfs/dbraw/zinc/58/32/14/952583214.db2.gz AICKUYOJRXQDGY-IBGZPJMESA-N 0 1 378.440 1.360 20 0 GDADMN Cc1ccncc1C(=O)N[C@@H]1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571134007 952583354 /nfs/dbraw/zinc/58/33/54/952583354.db2.gz BCORCMPZWCSTCV-ZIAGYGMSSA-N 0 1 378.440 1.540 20 0 GDADMN Cc1cnccc1C(=O)N1C[C@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571134183 952587178 /nfs/dbraw/zinc/58/71/78/952587178.db2.gz GBYUKIHLRBICJX-KBPBESRZSA-N 0 1 378.440 1.207 20 0 GDADMN Cc1cncc(C(=O)N[C@H]2CC[C@H](Nc3ccncc3-c3nn[nH]n3)CC2)c1 ZINC001571134332 952588654 /nfs/dbraw/zinc/58/86/54/952588654.db2.gz HNHYADCJLBFUOG-SHTZXODSSA-N 0 1 378.440 1.540 20 0 GDADMN Cc1cccc([C@H](C)C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001571134503 952591550 /nfs/dbraw/zinc/59/15/50/952591550.db2.gz JGJUXQCBJWDONP-AWEZNQCLSA-N 0 1 378.440 1.417 20 0 GDADMN C[C@@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001571139073 952618142 /nfs/dbraw/zinc/61/81/42/952618142.db2.gz BLHQMHZPMWKKSI-MEDUHNTESA-N 0 1 379.415 1.625 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)c1ncccc1[O-] ZINC001571140264 952624245 /nfs/dbraw/zinc/62/42/45/952624245.db2.gz BAXJFCRCDSKVBL-SWLSCSKDSA-N 0 1 379.424 1.360 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571140479 952626655 /nfs/dbraw/zinc/62/66/55/952626655.db2.gz AONYXRMFJXSANL-QMMMGPOBSA-N 0 1 378.849 1.940 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571140744 952628789 /nfs/dbraw/zinc/62/87/89/952628789.db2.gz SJZLTZCWOPLNDM-NSHDSACASA-N 0 1 379.415 1.625 20 0 GDADMN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c[nH]nc2-c2nn[nH]n2)c1 ZINC001571141666 952635255 /nfs/dbraw/zinc/63/52/55/952635255.db2.gz YHWFJBDUBCOZQK-UHFFFAOYSA-N 0 1 379.377 1.163 20 0 GDADMN Cc1ocnc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001571142414 952641776 /nfs/dbraw/zinc/64/17/76/952641776.db2.gz UUWAVIIXCHSZNI-IYBDPMFKSA-N 0 1 379.424 1.367 20 0 GDADMN Cc1ncncc1C(=O)N1CCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001571146131 952647948 /nfs/dbraw/zinc/64/79/48/952647948.db2.gz DFXFHSNFXAWKCF-CYBMUJFWSA-N 0 1 379.428 1.101 20 0 GDADMN O=C(c1ccco1)N1CCC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571146962 952655542 /nfs/dbraw/zinc/65/55/42/952655542.db2.gz DTGPHLXXZPYYMY-IBGZPJMESA-N 0 1 379.424 1.987 20 0 GDADMN C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001571150664 952669283 /nfs/dbraw/zinc/66/92/83/952669283.db2.gz DPFXYIGKUDNPKI-ZJUUUORDSA-N 0 1 379.467 1.473 20 0 GDADMN O=C(C1CC1)N1CCC[C@H]2[C@@H]1CCN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571152048 952680939 /nfs/dbraw/zinc/68/09/39/952680939.db2.gz BSFLTAQEVXQDGV-UWVGGRQHSA-N 0 1 379.877 1.956 20 0 GDADMN C[C@@H]1CC[C@H](NC(=O)c2ccccc2O)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571155497 952698307 /nfs/dbraw/zinc/69/83/07/952698307.db2.gz UPMBXBSGUNYPLK-NEPJUHHUSA-N 0 1 380.412 1.150 20 0 GDADMN Cc1cc(C(=O)N2C[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]3C2)on1 ZINC001571159018 952717700 /nfs/dbraw/zinc/71/77/00/952717700.db2.gz PGLRYQGQRRBWIH-BETUJISGSA-N 0 1 380.412 1.075 20 0 GDADMN Cc1conc1C(=O)N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571161638 952734166 /nfs/dbraw/zinc/73/41/66/952734166.db2.gz ZKRBYLSQHJHESA-AWEZNQCLSA-N 0 1 380.412 1.347 20 0 GDADMN Cc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001571169431 952773418 /nfs/dbraw/zinc/77/34/18/952773418.db2.gz CEVVCYZIYGTHIM-XJKSGUPXSA-N 0 1 380.456 1.994 20 0 GDADMN Cc1c(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ccn1C ZINC001571169817 952779336 /nfs/dbraw/zinc/77/93/36/952779336.db2.gz ONNSEZRKSNSQQI-CQSZACIVSA-N 0 1 380.456 1.616 20 0 GDADMN COc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)o1 ZINC001571171043 952791032 /nfs/dbraw/zinc/79/10/32/952791032.db2.gz MJPWFPJROKQJLG-ATCWAGBWSA-N 0 1 381.396 1.036 20 0 GDADMN C[C@@H](NC(=O)N[C@@H](c1cccc(-c2nn[nH]n2)c1)C(F)(F)F)c1nnc[nH]1 ZINC001571171966 952799902 /nfs/dbraw/zinc/79/99/02/952799902.db2.gz JYUJYLITRYWPOX-XCBNKYQSSA-N 0 1 381.322 1.649 20 0 GDADMN Cc1ncoc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571172836 952809326 /nfs/dbraw/zinc/80/93/26/952809326.db2.gz YTTWHEDEQUCRLZ-SSDOTTSWSA-N 0 1 380.821 1.282 20 0 GDADMN Cc1occc1C(=O)N1C[C@@H](C)[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571179517 952852963 /nfs/dbraw/zinc/85/29/63/952852963.db2.gz FJTSZLVFPBAVNH-RISCZKNCSA-N 0 1 381.440 1.714 20 0 GDADMN Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC001571179589 952854619 /nfs/dbraw/zinc/85/46/19/952854619.db2.gz GKKFYYWVUYSQIG-BLLLJJGKSA-N 0 1 381.440 1.697 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183217 952875385 /nfs/dbraw/zinc/87/53/85/952875385.db2.gz SSRHMILQEMSYQC-ZIAGYGMSSA-N 0 1 381.440 1.558 20 0 GDADMN CC1(C)CN(C(=O)CCc2ccoc2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571183396 952877492 /nfs/dbraw/zinc/87/74/92/952877492.db2.gz ZERWTMPWXKBHBO-MRXNPFEDSA-N 0 1 381.440 1.558 20 0 GDADMN CCc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[nH]n4)nc3)[C@@H](C)C2)n[nH]1 ZINC001571184323 952892234 /nfs/dbraw/zinc/89/22/34/952892234.db2.gz WDZDUIVJYWGYAE-SMDDNHRTSA-N 0 1 381.444 1.510 20 0 GDADMN CCn1cccc1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571185795 952904304 /nfs/dbraw/zinc/90/43/04/952904304.db2.gz PPUIXENOOZSLSQ-ZDUSSCGKSA-N 0 1 381.444 1.007 20 0 GDADMN CCn1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1C ZINC001571185838 952904332 /nfs/dbraw/zinc/90/43/32/952904332.db2.gz QNKVVLDJCKCBDZ-UHFFFAOYSA-N 0 1 381.444 1.185 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188005 952911301 /nfs/dbraw/zinc/91/13/01/952911301.db2.gz FNZLVLOBYHFOGF-CYBMUJFWSA-N 0 1 381.444 1.200 20 0 GDADMN Cc1cc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C)n1C ZINC001571188004 952911462 /nfs/dbraw/zinc/91/14/62/952911462.db2.gz FNWRGKPPPOKRHX-SFHVURJKSA-N 0 1 381.444 1.011 20 0 GDADMN Cc1cnc([C@H](C)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 ZINC001571187968 952911713 /nfs/dbraw/zinc/91/17/13/952911713.db2.gz DXFJWFRVEKMWCZ-STQMWFEESA-N 0 1 381.444 1.249 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CCC(N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571188122 952912802 /nfs/dbraw/zinc/91/28/02/952912802.db2.gz FUZHZVDEAGZSSV-UHFFFAOYSA-N 0 1 381.444 1.343 20 0 GDADMN Cc1ncc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nn[nH]n4)c(C)n3)C2)[nH]1 ZINC001571189237 952926341 /nfs/dbraw/zinc/92/63/41/952926341.db2.gz TVXFMXPUPGMNFM-MFKMUULPSA-N 0 1 381.444 1.422 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)c3ncccc3F)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196929 952984615 /nfs/dbraw/zinc/98/46/15/952984615.db2.gz QAHPPKUOSZYPMO-ZUZCIYMTSA-N 0 1 382.403 1.099 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571197375 952990270 /nfs/dbraw/zinc/99/02/70/952990270.db2.gz YGTRUJSHNILSRQ-RISCZKNCSA-N 0 1 382.403 1.583 20 0 GDADMN CCc1ocnc1C(=O)NC1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571198569 952990657 /nfs/dbraw/zinc/99/06/57/952990657.db2.gz CVYNYNIFRNTMDZ-UHFFFAOYSA-N 0 1 382.428 1.519 20 0 GDADMN CCc1cc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)no1 ZINC001571199112 952996734 /nfs/dbraw/zinc/99/67/34/952996734.db2.gz LWIAFWOLMQQFJF-LBPRGKRZSA-N 0 1 382.428 1.259 20 0 GDADMN Cc1nc(C(=O)N2CCCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c(C)o1 ZINC001571200127 953008111 /nfs/dbraw/zinc/00/81/11/953008111.db2.gz AWUZRTLYBAYYIO-CYBMUJFWSA-N 0 1 382.428 1.395 20 0 GDADMN Cc1conc1C(=O)N1CC[C@@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571201344 953016660 /nfs/dbraw/zinc/01/66/60/953016660.db2.gz KGLUGCMWRJIVGO-YPMHNXCESA-N 0 1 382.428 1.190 20 0 GDADMN Cc1nocc1C(=O)N[C@H]1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202673 953027481 /nfs/dbraw/zinc/02/74/81/953027481.db2.gz XLAZJIINOKMXPV-STQMWFEESA-N 0 1 382.428 1.442 20 0 GDADMN Cc1ccc([C@@H](C)C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)o1 ZINC001571202618 953027507 /nfs/dbraw/zinc/02/75/07/953027507.db2.gz VXHPGNHRSQAXHF-CYBMUJFWSA-N 0 1 382.428 1.401 20 0 GDADMN Cc1ocnc1C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202778 953029360 /nfs/dbraw/zinc/02/93/60/953029360.db2.gz YPHPLXRGTKLJQI-ZDUSSCGKSA-N 0 1 382.428 1.465 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@H](CNCc2coc(C3CC3)n2)C1 ZINC001571204575 953030409 /nfs/dbraw/zinc/03/04/09/953030409.db2.gz AAEGPKUAHDCPQX-NSHDSACASA-N 0 1 382.428 1.312 20 0 GDADMN Cc1nocc1CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571205747 953041193 /nfs/dbraw/zinc/04/11/93/953041193.db2.gz LHRCQVJLTMEXAD-JKSUJKDBSA-N 0 1 382.428 1.370 20 0 GDADMN Cc1oc(C(C)C)cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207208 953060818 /nfs/dbraw/zinc/06/08/18/953060818.db2.gz XEEUERJQSTUIDU-GFCCVEGCSA-N 0 1 382.428 1.690 20 0 GDADMN Cc1ncsc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571209864 953068665 /nfs/dbraw/zinc/06/86/65/953068665.db2.gz HFIHFMHTTBAVTE-RYUDHWBXSA-N 0 1 382.453 1.438 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)on1 ZINC001571223746 953146058 /nfs/dbraw/zinc/14/60/58/953146058.db2.gz UGTWPBCSWNOGAN-LLVKDONJSA-N 0 1 383.416 1.024 20 0 GDADMN O=C(Cc1ccc[nH]1)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571229506 953170647 /nfs/dbraw/zinc/17/06/47/953170647.db2.gz GTUSKKMODZXBPO-UHFFFAOYSA-N 0 1 383.431 1.657 20 0 GDADMN Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@@]34CCOC4)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232879 953188971 /nfs/dbraw/zinc/18/89/71/953188971.db2.gz LQDCGHCPBQIMHO-HNAYVOBHSA-N 0 1 383.456 1.082 20 0 GDADMN O=C([C@@H]1CCCO1)N1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571234523 953202880 /nfs/dbraw/zinc/20/28/80/953202880.db2.gz ANZSTCVKPIPZJM-VIFPVBQESA-N 0 1 383.865 1.194 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571234922 953206805 /nfs/dbraw/zinc/20/68/05/953206805.db2.gz NCPXXVMXZWSVAL-BDAKNGLRSA-N 0 1 383.865 1.416 20 0 GDADMN CCc1cc(C(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)c(F)c3)CC2)n[nH]1 ZINC001571238929 953234377 /nfs/dbraw/zinc/23/43/77/953234377.db2.gz CIZOWROVBKQCIR-UHFFFAOYSA-N 0 1 384.419 1.249 20 0 GDADMN CCc1cnc(CN[C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)o1 ZINC001571242377 953256027 /nfs/dbraw/zinc/25/60/27/953256027.db2.gz DVUJSYSXUZQKRY-HAQNSBGRSA-N 0 1 384.444 1.576 20 0 GDADMN Cc1n[nH]cc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571244887 953268453 /nfs/dbraw/zinc/26/84/53/953268453.db2.gz LDRNSFNWVISQAQ-ZSOGYDGISA-N 0 1 384.469 1.068 20 0 GDADMN Cc1n[nH]cc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571244887 953268457 /nfs/dbraw/zinc/26/84/57/953268457.db2.gz LDRNSFNWVISQAQ-ZSOGYDGISA-N 0 1 384.469 1.068 20 0 GDADMN Cc1n[nH]cc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571244887 953268460 /nfs/dbraw/zinc/26/84/60/953268460.db2.gz LDRNSFNWVISQAQ-ZSOGYDGISA-N 0 1 384.469 1.068 20 0 GDADMN Cc1n[nH]cc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571244887 953268465 /nfs/dbraw/zinc/26/84/65/953268465.db2.gz LDRNSFNWVISQAQ-ZSOGYDGISA-N 0 1 384.469 1.068 20 0 GDADMN 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ZINC000902701406 956775303 /nfs/dbraw/zinc/77/53/03/956775303.db2.gz LMINSXJZHJGORU-QGZVFWFLSA-N 0 1 381.517 1.324 20 0 GDADMN COC(=O)C1CC2(C1)C[N@H+]([C@H]1CCCN(c3ccccc3)C1=O)C[C@@H]2C(=O)[O-] ZINC000903414093 956838651 /nfs/dbraw/zinc/83/86/51/956838651.db2.gz CVIDVSOGIKULCG-ARMXKFQOSA-N 0 1 386.448 1.768 20 0 GDADMN C[C@H](CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)[N@@H+](C)Cc1ccccc1 ZINC001603143065 972237749 /nfs/dbraw/zinc/23/77/49/972237749.db2.gz ZKZRXUSCNZINBR-WBVHZDCISA-N 0 1 375.469 1.336 20 0 GDADMN O=C([O-])[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1C1CC1 ZINC000923528107 957126323 /nfs/dbraw/zinc/12/63/23/957126323.db2.gz ALCHQCVKEPZEPS-RBUKOAKNSA-N 0 1 387.480 1.894 20 0 GDADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1C1CC1 ZINC000923530212 957127526 /nfs/dbraw/zinc/12/75/26/957127526.db2.gz XJUDTPYCNOORTJ-JKSUJKDBSA-N 0 1 375.444 1.517 20 0 GDADMN CC(C)C[C@H](CNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(=O)[O-] ZINC001325855990 957313834 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NZZXJXUMBYZTSR-ZIAGYGMSSA-N 0 1 393.517 1.298 20 0 GDADMN C[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000736266810 598334425 /nfs/dbraw/zinc/33/44/25/598334425.db2.gz PGNMEKAEVHRURN-CQSZACIVSA-N 0 1 383.456 1.710 20 0 GDADMN CO[C@@H](C)CCNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736957465 598362321 /nfs/dbraw/zinc/36/23/21/598362321.db2.gz HLLOJIJSJZACLS-HNNXBMFYSA-N 0 1 387.488 1.509 20 0 GDADMN CC[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCN1CCOC ZINC000736413073 598366437 /nfs/dbraw/zinc/36/64/37/598366437.db2.gz WMJZEQWBCUFTKM-SJLPKXTDSA-N 0 1 399.499 1.015 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000737289196 598606303 /nfs/dbraw/zinc/60/63/03/598606303.db2.gz PNGFJBBFCAGDJP-NSHDSACASA-N 0 1 390.407 1.808 20 0 GDADMN CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000736757387 598614326 /nfs/dbraw/zinc/61/43/26/598614326.db2.gz RSJRNMMQEDBZQA-SNVBAGLBSA-N 0 1 390.391 1.210 20 0 GDADMN COCCOc1ccc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cn2)cc1C ZINC000737016002 598637592 /nfs/dbraw/zinc/63/75/92/598637592.db2.gz STKDAEUNCNPWCQ-UHFFFAOYSA-N 0 1 390.425 1.396 20 0 GDADMN COc1cccc(CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1 ZINC000737131316 598721476 /nfs/dbraw/zinc/72/14/76/598721476.db2.gz NZXSYWFTDDVTLJ-UHFFFAOYSA-N 0 1 390.403 1.507 20 0 GDADMN CCN(CC)Cc1ccc(C(=O)Nc2nc3n(c2-c2nn[nH]n2)CCS3)o1 ZINC000736531084 599294050 /nfs/dbraw/zinc/29/40/50/599294050.db2.gz QCOWGUDUMFDPSU-UHFFFAOYSA-N 0 1 388.457 1.856 20 0 GDADMN COCCN(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccn1 ZINC000821689273 599306316 /nfs/dbraw/zinc/30/63/16/599306316.db2.gz UCOMKWLTKHRENG-UHFFFAOYSA-N 0 1 381.440 1.739 20 0 GDADMN Cc1cc(N2CCN([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)n2ncnc2n1 ZINC000737271155 599309860 /nfs/dbraw/zinc/30/98/60/599309860.db2.gz JPQNDUKHUVOZAU-CQSZACIVSA-N 0 1 390.455 1.496 20 0 GDADMN O=C(C1=CCCCO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000737780743 599319343 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GDADMN Cc1oc(NC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822548341 599641692 /nfs/dbraw/zinc/64/16/92/599641692.db2.gz ISSKNNLHGNQJMM-HNNXBMFYSA-N 0 1 387.488 1.823 20 0 GDADMN CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821160569 599644398 /nfs/dbraw/zinc/64/43/98/599644398.db2.gz MWLVFNQGDUYSOZ-JSGCOSHPSA-N 0 1 375.477 1.677 20 0 GDADMN CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821160569 599644399 /nfs/dbraw/zinc/64/43/99/599644399.db2.gz MWLVFNQGDUYSOZ-JSGCOSHPSA-N 0 1 375.477 1.677 20 0 GDADMN CC[C@@H]1C[C@@H](C)CN1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000820971957 599646600 /nfs/dbraw/zinc/64/66/00/599646600.db2.gz IPJRUTNADLFRBK-KPAZRMRSSA-N 0 1 383.456 1.712 20 0 GDADMN C[NH+](C)CC1CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000737362248 599788122 /nfs/dbraw/zinc/78/81/22/599788122.db2.gz YPJRURIRDVWUOF-LJQANCHMSA-N 0 1 386.496 1.553 20 0 GDADMN CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000387772228 599800903 /nfs/dbraw/zinc/80/09/03/599800903.db2.gz ABRRGMVFSUOYLM-JTQLQIEISA-N 0 1 391.287 1.720 20 0 GDADMN CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000737470950 599805809 /nfs/dbraw/zinc/80/58/09/599805809.db2.gz RXSGWUHPRPQCAP-MRXNPFEDSA-N 0 1 376.457 1.114 20 0 GDADMN C[N@@H+](CCOc1cccc(CNc2ccc(C(=O)[O-])nn2)c1)C1CCOCC1 ZINC000649388343 599809209 /nfs/dbraw/zinc/80/92/09/599809209.db2.gz IAIFBFPLXCXHCP-UHFFFAOYSA-N 0 1 386.452 2.277 20 0 GDADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+]1CCC[C@H](OC)C1 ZINC000737650930 599811190 /nfs/dbraw/zinc/81/11/90/599811190.db2.gz OXJJYVLWLBZDGW-NSHDSACASA-N 0 1 384.454 1.981 20 0 GDADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+]1CCC[C@@H](OC)C1 ZINC000737650927 599811246 /nfs/dbraw/zinc/81/12/46/599811246.db2.gz OXJJYVLWLBZDGW-LLVKDONJSA-N 0 1 384.454 1.981 20 0 GDADMN CN(C(=O)[O-])c1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000737333459 599820351 /nfs/dbraw/zinc/82/03/51/599820351.db2.gz UZUSYCIVGBJWIO-ZDUSSCGKSA-N 0 1 377.445 1.510 20 0 GDADMN O=C([O-])/C=C1\SCC(=O)N1CCC[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000739624215 599850631 /nfs/dbraw/zinc/85/06/31/599850631.db2.gz JEXXGTOUYZAZTK-JXAWBTAJSA-N 0 1 397.541 1.312 20 0 GDADMN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(C(=O)[O-])nc3)c2)C1 ZINC000594501543 599851843 /nfs/dbraw/zinc/85/18/43/599851843.db2.gz REHDLZFMKVLYSP-KRWDZBQOSA-N 0 1 396.447 1.407 20 0 GDADMN O=C([O-])CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000739739046 599883581 /nfs/dbraw/zinc/88/35/81/599883581.db2.gz CXJABEZAZLNOCY-HNNXBMFYSA-N 0 1 375.425 1.079 20 0 GDADMN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736932334 599933675 /nfs/dbraw/zinc/93/36/75/599933675.db2.gz PGYIUYXTXORSTD-RNODOKPDSA-N 0 1 389.452 1.995 20 0 GDADMN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)C1=O ZINC000736932334 599933676 /nfs/dbraw/zinc/93/36/76/599933676.db2.gz PGYIUYXTXORSTD-RNODOKPDSA-N 0 1 389.452 1.995 20 0 GDADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000736215655 599955967 /nfs/dbraw/zinc/95/59/67/599955967.db2.gz QRVVSEIANAWFEV-HNNXBMFYSA-N 0 1 397.479 1.780 20 0 GDADMN C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736806569 599957608 /nfs/dbraw/zinc/95/76/08/599957608.db2.gz JSEAUGICTQZXPT-HUUCEWRRSA-N 0 1 393.484 1.951 20 0 GDADMN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000738518865 599966628 /nfs/dbraw/zinc/96/66/28/599966628.db2.gz PJLQJWOPWHPSAR-CABCVRRESA-N 0 1 377.485 1.797 20 0 GDADMN CCOC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC1 ZINC000737163182 599973048 /nfs/dbraw/zinc/97/30/48/599973048.db2.gz ZYVWUMASOJLBNR-AWEZNQCLSA-N 0 1 399.513 1.017 20 0 GDADMN Cc1nc(C)n([C@H]2CCC[N@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738846617 599976516 /nfs/dbraw/zinc/97/65/16/599976516.db2.gz FZNGPLNJBCHOPH-KRWDZBQOSA-N 0 1 386.456 1.938 20 0 GDADMN Cc1nc(C)n([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738846617 599976518 /nfs/dbraw/zinc/97/65/18/599976518.db2.gz FZNGPLNJBCHOPH-KRWDZBQOSA-N 0 1 386.456 1.938 20 0 GDADMN Cc1nc(C[C@H]2CCC[N@@H+](CCCN3C(=O)CS/C3=C\C(=O)[O-])C2)no1 ZINC000738851184 599979270 /nfs/dbraw/zinc/97/92/70/599979270.db2.gz IPQUGNMCLSQLEY-WPBJZHHJSA-N 0 1 380.470 1.524 20 0 GDADMN Cc1nc(C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C(=O)[O-])cc3)C2)no1 ZINC000738850983 599980373 /nfs/dbraw/zinc/98/03/73/599980373.db2.gz GSAAAJBYZSDZJA-GDBMZVCRSA-N 0 1 375.425 1.771 20 0 GDADMN C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC000737523644 599982721 /nfs/dbraw/zinc/98/27/21/599982721.db2.gz TWODRJYDBHZLTJ-MRVPVSSYSA-N 0 1 395.250 1.659 20 0 GDADMN C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC000737523644 599982725 /nfs/dbraw/zinc/98/27/25/599982725.db2.gz TWODRJYDBHZLTJ-MRVPVSSYSA-N 0 1 395.250 1.659 20 0 GDADMN CCOC(=O)N(C)C1CC[NH+](CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 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ZINC000820804170 606780280 /nfs/dbraw/zinc/78/02/80/606780280.db2.gz NLKCMROILFYWOU-AWEZNQCLSA-N 0 1 387.451 1.916 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1cccc2cccnc21 ZINC000820804170 606780281 /nfs/dbraw/zinc/78/02/81/606780281.db2.gz NLKCMROILFYWOU-AWEZNQCLSA-N 0 1 387.451 1.916 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1cccc2cccnc21 ZINC000820804170 606780282 /nfs/dbraw/zinc/78/02/82/606780282.db2.gz NLKCMROILFYWOU-AWEZNQCLSA-N 0 1 387.451 1.916 20 0 GDADMN COc1cc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)ccc1NC(N)=O ZINC000821723839 606788779 /nfs/dbraw/zinc/78/87/79/606788779.db2.gz KGMWZPAMKZIZOX-UHFFFAOYSA-N 0 1 389.397 1.167 20 0 GDADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)NCCc1cccc(Cl)c1Cl ZINC000823123343 606824680 /nfs/dbraw/zinc/82/46/80/606824680.db2.gz XHDABQBLYKPRTC-UHFFFAOYSA-N 0 1 393.234 1.694 20 0 GDADMN O=S(=O)([N-][C@@H]1CC[N@H+]2CCCC[C@H]12)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572528 606887407 /nfs/dbraw/zinc/88/74/07/606887407.db2.gz IRDOUHJLZRUTTQ-CHWSQXEVSA-N 0 1 384.412 1.050 20 0 GDADMN C[C@@H](CCc1cccn1C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820253442 606893109 /nfs/dbraw/zinc/89/31/09/606893109.db2.gz IKFYPSYRYQFGAS-JTQLQIEISA-N 0 1 396.423 1.783 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000822006016 606906698 /nfs/dbraw/zinc/90/66/98/606906698.db2.gz XHGVPTPYVFKUGH-BONVTDFDSA-N 0 1 385.472 1.116 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000822006016 606906699 /nfs/dbraw/zinc/90/66/99/606906699.db2.gz XHGVPTPYVFKUGH-BONVTDFDSA-N 0 1 385.472 1.116 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000822006016 606906700 /nfs/dbraw/zinc/90/67/00/606906700.db2.gz XHGVPTPYVFKUGH-BONVTDFDSA-N 0 1 385.472 1.116 20 0 GDADMN COC(=O)C[C@@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821657018 606921227 /nfs/dbraw/zinc/92/12/27/606921227.db2.gz FIDWJRVZOBRPDV-CQSZACIVSA-N 0 1 386.456 1.100 20 0 GDADMN CC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C(=O)OC(C)(C)C ZINC000821461511 606967899 /nfs/dbraw/zinc/96/78/99/606967899.db2.gz PWRLZBWNBCMACA-SNVBAGLBSA-N 0 1 394.457 1.539 20 0 GDADMN N=C(NOCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1COc2ccccc2O1 ZINC000822846184 606983084 /nfs/dbraw/zinc/98/30/84/606983084.db2.gz QGNJENKUIRYLJE-OAHLLOKOSA-N 0 1 395.379 1.144 20 0 GDADMN O=S(=O)(NC[C@H](O)c1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573234 607004392 /nfs/dbraw/zinc/00/43/92/607004392.db2.gz SOPIUOOBJGFXDQ-ZDUSSCGKSA-N 0 1 381.364 1.157 20 0 GDADMN O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)N1CCN(C2CCCCC2)CC1 ZINC000823566638 607006580 /nfs/dbraw/zinc/00/65/80/607006580.db2.gz JSYVCPACSURVRN-UHFFFAOYSA-N 0 1 390.513 1.647 20 0 GDADMN CCc1nc([C@@H]2CN(c3nnc(CC)c(CC)c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000821504497 607027721 /nfs/dbraw/zinc/02/77/21/607027721.db2.gz GFQKLYUAIFFVMO-LBPRGKRZSA-N 0 1 384.448 1.040 20 0 GDADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821623731 607035386 /nfs/dbraw/zinc/03/53/86/607035386.db2.gz RGZYKOAVVGWLDM-KRWDZBQOSA-N 0 1 392.467 1.158 20 0 GDADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821623731 607035387 /nfs/dbraw/zinc/03/53/87/607035387.db2.gz RGZYKOAVVGWLDM-KRWDZBQOSA-N 0 1 392.467 1.158 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000822004139 607073249 /nfs/dbraw/zinc/07/32/49/607073249.db2.gz AZVOYGIXZICNEK-HOCLYGCPSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000822004139 607073251 /nfs/dbraw/zinc/07/32/51/607073251.db2.gz AZVOYGIXZICNEK-HOCLYGCPSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000822004139 607073252 /nfs/dbraw/zinc/07/32/52/607073252.db2.gz AZVOYGIXZICNEK-HOCLYGCPSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2nn[n-]n2)c1C ZINC000822540809 607104919 /nfs/dbraw/zinc/10/49/19/607104919.db2.gz HEHHBRYYWOEQFW-AEGPPILISA-N 0 1 387.488 1.820 20 0 GDADMN Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2nn[n-]n2)c1C ZINC000822540809 607104921 /nfs/dbraw/zinc/10/49/21/607104921.db2.gz HEHHBRYYWOEQFW-AEGPPILISA-N 0 1 387.488 1.820 20 0 GDADMN CC[C@H](C(=O)O[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)N(CC)CC ZINC000820847534 607111276 /nfs/dbraw/zinc/11/12/76/607111276.db2.gz FTSJKXJUHHCHNO-HZPDHXFCSA-N 0 1 386.456 1.636 20 0 GDADMN CCC(C)(C)NC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000820847342 607208778 /nfs/dbraw/zinc/20/87/78/607208778.db2.gz AXTBJGCMEQRSIP-UHFFFAOYSA-N 0 1 383.416 1.015 20 0 GDADMN C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820287886 607209243 /nfs/dbraw/zinc/20/92/43/607209243.db2.gz RUSDFIIECMLPEU-LBPRGKRZSA-N 0 1 384.444 1.339 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCc2c1cccc2Br ZINC000823126969 607213928 /nfs/dbraw/zinc/21/39/28/607213928.db2.gz PAGXADOBYQZCFD-NSHDSACASA-N 0 1 389.217 1.024 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccccc1F)C1CCCCC1 ZINC000823123422 607214817 /nfs/dbraw/zinc/21/48/17/607214817.db2.gz YZANNNAIXIHYRA-UHFFFAOYSA-N 0 1 384.419 1.959 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823127060 607215585 /nfs/dbraw/zinc/21/55/85/607215585.db2.gz RNSYSJVEBWJBND-HNNXBMFYSA-N 0 1 377.412 1.693 20 0 GDADMN COc1ccccc1-c1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821877073 607216083 /nfs/dbraw/zinc/21/60/83/607216083.db2.gz AFJFTAVSAPZUAE-UHFFFAOYSA-N 0 1 376.380 1.773 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000823122629 607216333 /nfs/dbraw/zinc/21/63/33/607216333.db2.gz FSSANPBNMCCLMR-UHFFFAOYSA-N 0 1 395.402 1.485 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000823126008 607219105 /nfs/dbraw/zinc/21/91/05/607219105.db2.gz FDMQZKVBHHBVNZ-SNVBAGLBSA-N 0 1 386.725 1.531 20 0 GDADMN CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821431405 607220758 /nfs/dbraw/zinc/22/07/58/607220758.db2.gz SXPHAMAEVFTUOM-AWEZNQCLSA-N 0 1 384.444 1.761 20 0 GDADMN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821431406 607220815 /nfs/dbraw/zinc/22/08/15/607220815.db2.gz SXPHAMAEVFTUOM-CQSZACIVSA-N 0 1 384.444 1.761 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(OC(F)(F)F)c1 ZINC000820333642 607221997 /nfs/dbraw/zinc/22/19/97/607221997.db2.gz FLUQIKMRBLYFNL-MRVPVSSYSA-N 0 1 382.306 1.234 20 0 GDADMN Cc1ccc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826288732 607814821 /nfs/dbraw/zinc/81/48/21/607814821.db2.gz USFXPTYWEPSURI-UHFFFAOYSA-N 0 1 375.429 1.878 20 0 GDADMN CCN1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)C[C@H]1C ZINC000825459099 607825590 /nfs/dbraw/zinc/82/55/90/607825590.db2.gz IAOXDKPNZFJVQH-CQSZACIVSA-N 0 1 385.472 1.528 20 0 GDADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N(C)C[C@H]1CCC[C@@H]1O ZINC000824051774 607859849 /nfs/dbraw/zinc/85/98/49/607859849.db2.gz DKNJHCRBHBMULM-WZRBSPASSA-N 0 1 390.513 1.837 20 0 GDADMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825399591 607921477 /nfs/dbraw/zinc/92/14/77/607921477.db2.gz YQOOSLNLKUEFEI-HNNXBMFYSA-N 0 1 386.456 1.486 20 0 GDADMN CC(C)Cc1nc(-c2nn[nH]n2)c(NNC(=S)NC[C@H]2CCCCO2)o1 ZINC000824279989 607967289 /nfs/dbraw/zinc/96/72/89/607967289.db2.gz AIACTQDDJJRNNR-SNVBAGLBSA-N 0 1 380.478 1.413 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826077856 608019845 /nfs/dbraw/zinc/01/98/45/608019845.db2.gz XSYQWOCOCUUDHW-KGLIPLIRSA-N 0 1 380.456 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826077856 608019846 /nfs/dbraw/zinc/01/98/46/608019846.db2.gz XSYQWOCOCUUDHW-KGLIPLIRSA-N 0 1 380.456 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(C)cc2OC)c1-c1nnn[n-]1 ZINC000826083548 608020930 /nfs/dbraw/zinc/02/09/30/608020930.db2.gz MRLUEDLBXCZGFM-UHFFFAOYSA-N 0 1 376.446 1.373 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(C)cc2OC)c1-c1nn[n-]n1 ZINC000826083548 608020931 /nfs/dbraw/zinc/02/09/31/608020931.db2.gz MRLUEDLBXCZGFM-UHFFFAOYSA-N 0 1 376.446 1.373 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2coc(Br)c2)c1-c1nnn[n-]1 ZINC000826083388 608021544 /nfs/dbraw/zinc/02/15/44/608021544.db2.gz KEFRKLMFDJLEFA-UHFFFAOYSA-N 0 1 395.221 1.350 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2coc(Br)c2)c1-c1nn[n-]n1 ZINC000826083388 608021545 /nfs/dbraw/zinc/02/15/45/608021545.db2.gz KEFRKLMFDJLEFA-UHFFFAOYSA-N 0 1 395.221 1.350 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC3CC3)cc2)c1-c1nnn[n-]1 ZINC000826083383 608021566 /nfs/dbraw/zinc/02/15/66/608021566.db2.gz KDNLTAQNMLQKIO-UHFFFAOYSA-N 0 1 396.455 1.783 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCC3CC3)cc2)c1-c1nn[n-]n1 ZINC000826083383 608021567 /nfs/dbraw/zinc/02/15/67/608021567.db2.gz KDNLTAQNMLQKIO-UHFFFAOYSA-N 0 1 396.455 1.783 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccc(F)cc3c2)c1-c1nnn[n-]1 ZINC000826083036 608021638 /nfs/dbraw/zinc/02/16/38/608021638.db2.gz GKXZMNGQZXCVDD-UHFFFAOYSA-N 0 1 395.402 1.681 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccc(F)cc3c2)c1-c1nn[n-]n1 ZINC000826083036 608021639 /nfs/dbraw/zinc/02/16/39/608021639.db2.gz GKXZMNGQZXCVDD-UHFFFAOYSA-N 0 1 395.402 1.681 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccn(-c2ccccc2)n1 ZINC000825935256 608035648 /nfs/dbraw/zinc/03/56/48/608035648.db2.gz XQVKMHRSPKWPGD-UHFFFAOYSA-N 0 1 378.444 1.422 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000825934750 608036947 /nfs/dbraw/zinc/03/69/47/608036947.db2.gz RLDIKPPJQYJFKN-OAHLLOKOSA-N 0 1 395.471 1.232 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000825934750 608036948 /nfs/dbraw/zinc/03/69/48/608036948.db2.gz RLDIKPPJQYJFKN-OAHLLOKOSA-N 0 1 395.471 1.232 20 0 GDADMN COc1ccc(CNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1-c1nn[nH]n1 ZINC000826198591 608107111 /nfs/dbraw/zinc/10/71/11/608107111.db2.gz CZZNSYJQKQFRSQ-JTQLQIEISA-N 0 1 385.432 1.677 20 0 GDADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[nH]n2)n[nH]1 ZINC000824358853 608107165 /nfs/dbraw/zinc/10/71/65/608107165.db2.gz QRVFHPMJPMLIRX-MRVPVSSYSA-N 0 1 387.379 1.063 20 0 GDADMN CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000824359619 608107434 /nfs/dbraw/zinc/10/74/34/608107434.db2.gz YLKFTWSISNKULT-QMMMGPOBSA-N 0 1 387.379 1.063 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000826175091 608108303 /nfs/dbraw/zinc/10/83/03/608108303.db2.gz SOYNAJZRZKCTOR-JTQLQIEISA-N 0 1 386.416 1.373 20 0 GDADMN COc1ccccc1OC[C@@H](C)CN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826220059 608111044 /nfs/dbraw/zinc/11/10/44/608111044.db2.gz ASNVZYCNYMRLHD-SCLBCKFNSA-N 0 1 396.451 1.706 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2F)c1-c1nnn[n-]1 ZINC000826077908 608114037 /nfs/dbraw/zinc/11/40/37/608114037.db2.gz ZYFVLUZFDLJADT-UHFFFAOYSA-N 0 1 396.789 1.926 20 0 GDADMN 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O=C([O-])C1(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)Cc2ccccc2C1 ZINC001119642967 939815524 /nfs/dbraw/zinc/81/55/24/939815524.db2.gz IVNFOLHASLWWRL-HZPDHXFCSA-N 0 1 375.494 1.488 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CCC[C@@H](CCO)C1 ZINC000735552836 944671383 /nfs/dbraw/zinc/67/13/83/944671383.db2.gz ZWCNEOIJOPIBPA-RYUDHWBXSA-N 0 1 378.864 1.942 20 0 GDADMN O=C(NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccns1 ZINC001571263268 945453318 /nfs/dbraw/zinc/45/33/18/945453318.db2.gz LPUHFTCJICURQI-LLVKDONJSA-N 0 1 385.457 1.292 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571264579 945487885 /nfs/dbraw/zinc/48/78/85/945487885.db2.gz RNVXJHPTXJXLBO-LSDHHAIUSA-N 0 1 385.472 1.363 20 0 GDADMN CC[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)O1 ZINC001571264680 945489392 /nfs/dbraw/zinc/48/93/92/945489392.db2.gz UAEHXTLSLGZBFN-WSMBLCCSSA-N 0 1 385.472 1.256 20 0 GDADMN COC1CCC(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001571264708 945490012 /nfs/dbraw/zinc/49/00/12/945490012.db2.gz UVHYWYVCHNIPKN-SHARSMKWSA-N 0 1 385.472 1.292 20 0 GDADMN O=C(c1cc(Cl)c[nH]1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571266120 945530709 /nfs/dbraw/zinc/53/07/09/945530709.db2.gz WTYZTMABBUMSHG-PHIMTYICSA-N 0 1 385.819 1.132 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001571267020 945558421 /nfs/dbraw/zinc/55/84/21/945558421.db2.gz GFSGXWKZNUQUFC-ZANVPECISA-N 0 1 386.366 1.072 20 0 GDADMN O=C(c1ccc(F)c(F)c1)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571267134 945562584 /nfs/dbraw/zinc/56/25/84/945562584.db2.gz KIAMELXUVHBNHB-NSHDSACASA-N 0 1 386.366 1.074 20 0 GDADMN O=C(NC[C@@H]1CCCCN1CCc1ccns1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571271834 945651676 /nfs/dbraw/zinc/65/16/76/945651676.db2.gz KTLTXFWANMTLLT-ZDUSSCGKSA-N 0 1 386.485 1.478 20 0 GDADMN Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571272737 945669703 /nfs/dbraw/zinc/66/97/03/945669703.db2.gz 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C[C@H](NCc1nncs1)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571281887 945820735 /nfs/dbraw/zinc/82/07/35/945820735.db2.gz PJPARBOCAHBLCM-WDEREUQCSA-N 0 1 387.473 1.077 20 0 GDADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571282391 945840672 /nfs/dbraw/zinc/84/06/72/945840672.db2.gz XGNZYOZLPAQKJW-IUODEOHRSA-N 0 1 387.463 1.749 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)[C@@H]1CC[C@@H](F)C1 ZINC001571286321 945945644 /nfs/dbraw/zinc/94/56/44/945945644.db2.gz DOYKTTAPVIKLNS-BOGLJMFRSA-N 0 1 388.422 1.690 20 0 GDADMN O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1(F)CCCCC1 ZINC001571289788 946018526 /nfs/dbraw/zinc/01/85/26/946018526.db2.gz MOACHKZKHVEBIN-CHWSQXEVSA-N 0 1 388.451 1.448 20 0 GDADMN O=C([C@@H]1CCCCO1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2C1 ZINC001571290029 946025787 /nfs/dbraw/zinc/02/57/87/946025787.db2.gz SXKXUACEYSUKEP-GUTXKFCHSA-N 0 1 388.497 1.388 20 0 GDADMN O=C([C@@H]1CCCCO1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571290029 946025795 /nfs/dbraw/zinc/02/57/95/946025795.db2.gz SXKXUACEYSUKEP-GUTXKFCHSA-N 0 1 388.497 1.388 20 0 GDADMN O=C([C@@H]1CCCCO1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571290029 946025804 /nfs/dbraw/zinc/02/58/04/946025804.db2.gz SXKXUACEYSUKEP-GUTXKFCHSA-N 0 1 388.497 1.388 20 0 GDADMN O=C([C@@H]1CCCCO1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001571290029 946025814 /nfs/dbraw/zinc/02/58/14/946025814.db2.gz SXKXUACEYSUKEP-GUTXKFCHSA-N 0 1 388.497 1.388 20 0 GDADMN O=C([C@@H]1CCCCO1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001571290029 946025823 /nfs/dbraw/zinc/02/58/23/946025823.db2.gz SXKXUACEYSUKEP-GUTXKFCHSA-N 0 1 388.497 1.388 20 0 GDADMN COc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@H]2C)o1 ZINC001571290304 946038871 /nfs/dbraw/zinc/03/88/71/946038871.db2.gz ZYYRARBTVQLOSF-PWSUYJOCSA-N 0 1 388.453 1.923 20 0 GDADMN COc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@H]2C)o1 ZINC001571290304 946038884 /nfs/dbraw/zinc/03/88/84/946038884.db2.gz ZYYRARBTVQLOSF-PWSUYJOCSA-N 0 1 388.453 1.923 20 0 GDADMN Cc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(-c4nn[nH]n4)c3)[nH]c2c1 ZINC000822275399 946043992 /nfs/dbraw/zinc/04/39/92/946043992.db2.gz UADWOSLNXWBPJO-UHFFFAOYSA-N 0 1 387.400 1.669 20 0 GDADMN O=C(c1ccccn1)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571290682 946050484 /nfs/dbraw/zinc/05/04/84/946050484.db2.gz LQJPLLAIHNGAKE-IUCAKERBSA-N 0 1 388.844 1.475 20 0 GDADMN O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(C(F)F)o1 ZINC001571294425 946134248 /nfs/dbraw/zinc/13/42/48/946134248.db2.gz FNXWJQRGAKKGRO-DTORHVGOSA-N 0 1 390.354 1.230 20 0 GDADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000822613696 946137607 /nfs/dbraw/zinc/13/76/07/946137607.db2.gz FUNUTWVGQQLNCW-UHFFFAOYSA-N 0 1 395.471 1.634 20 0 GDADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000822613696 946137613 /nfs/dbraw/zinc/13/76/13/946137613.db2.gz FUNUTWVGQQLNCW-UHFFFAOYSA-N 0 1 395.471 1.634 20 0 GDADMN O=C([C@@H]1CCC1(F)F)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571294757 946143081 /nfs/dbraw/zinc/14/30/81/946143081.db2.gz LZGYIOSLWSSHND-MEDUHNTESA-N 0 1 390.398 1.131 20 0 GDADMN CC(C)[C@H](C(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1)[NH+](C)C ZINC001571294938 946151107 /nfs/dbraw/zinc/15/11/07/946151107.db2.gz MQERFEJPFOQJAU-QGZVFWFLSA-N 0 1 389.479 1.236 20 0 GDADMN Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571298525 946218133 /nfs/dbraw/zinc/21/81/33/946218133.db2.gz AHMMVMYLQFXXSL-OLZOCXBDSA-N 0 1 390.517 1.153 20 0 GDADMN Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1-c1nn[n-]n1 ZINC001571298525 946218145 /nfs/dbraw/zinc/21/81/45/946218145.db2.gz AHMMVMYLQFXXSL-OLZOCXBDSA-N 0 1 390.517 1.153 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001571298545 946222369 /nfs/dbraw/zinc/22/23/69/946222369.db2.gz ASYHXGATLNYHHX-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001571298545 946222379 /nfs/dbraw/zinc/22/23/79/946222379.db2.gz ASYHXGATLNYHHX-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN CCc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001571298631 946225445 /nfs/dbraw/zinc/22/54/45/946225445.db2.gz ICEWIPZIJVSDCP-IYBDPMFKSA-N 0 1 390.451 1.713 20 0 GDADMN O=C(Nc1nc(Cl)c(-c2nn[nH]n2)s1)NN1CCc2ccccc2C1=O ZINC001571298761 946228506 /nfs/dbraw/zinc/22/85/06/946228506.db2.gz DDUNUHHEHCBYRU-UHFFFAOYSA-N 0 1 390.816 1.712 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)C3(c4cccnc4)CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571299002 946234613 /nfs/dbraw/zinc/23/46/13/946234613.db2.gz NCVMKOUCHMUTBC-OAHLLOKOSA-N 0 1 390.451 1.392 20 0 GDADMN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCCO1 ZINC001571299864 946265278 /nfs/dbraw/zinc/26/52/78/946265278.db2.gz PSNVMFIEVSXOEM-IUODEOHRSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1CCCO1 ZINC001571299864 946265289 /nfs/dbraw/zinc/26/52/89/946265289.db2.gz PSNVMFIEVSXOEM-IUODEOHRSA-N 0 1 390.513 1.824 20 0 GDADMN CCOC1CC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571299928 946266293 /nfs/dbraw/zinc/26/62/93/946266293.db2.gz RGWREHKNFBRFOK-AEBJDNRDSA-N 0 1 390.513 1.870 20 0 GDADMN CCOC1CC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571299928 946266302 /nfs/dbraw/zinc/26/63/02/946266302.db2.gz RGWREHKNFBRFOK-AEBJDNRDSA-N 0 1 390.513 1.870 20 0 GDADMN C[C@](O)(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001571300105 946272488 /nfs/dbraw/zinc/27/24/88/946272488.db2.gz UXSUZGSLKFNGGE-XIKOKIGWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@](O)(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001571300105 946272493 /nfs/dbraw/zinc/27/24/93/946272493.db2.gz UXSUZGSLKFNGGE-XIKOKIGWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2sccc2Cl)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571300066 946272592 /nfs/dbraw/zinc/27/25/92/946272592.db2.gz SNDNXFCNYGDUIB-SCZZXKLOSA-N 0 1 390.860 1.769 20 0 GDADMN Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1-c1nn[n-]n1 ZINC001571300255 946277128 /nfs/dbraw/zinc/27/71/28/946277128.db2.gz XWUMFLUXHSSTAU-STQMWFEESA-N 0 1 390.517 1.376 20 0 GDADMN Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)c1-c1nn[n-]n1 ZINC001571300255 946277143 /nfs/dbraw/zinc/27/71/43/946277143.db2.gz XWUMFLUXHSSTAU-STQMWFEESA-N 0 1 390.517 1.376 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCO1 ZINC001571300268 946278625 /nfs/dbraw/zinc/27/86/25/946278625.db2.gz YGRCCEMDPIOXSD-AAVRWANBSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001571300268 946278634 /nfs/dbraw/zinc/27/86/34/946278634.db2.gz YGRCCEMDPIOXSD-AAVRWANBSA-N 0 1 390.513 1.728 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)c2cccnc2C2CC2)C1 ZINC001571303673 946345014 /nfs/dbraw/zinc/34/50/14/946345014.db2.gz PADSFYFEGQQJCF-CYBMUJFWSA-N 0 1 391.439 1.280 20 0 GDADMN CC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC2(CCOCC2)C1 ZINC001573498128 946357375 /nfs/dbraw/zinc/35/73/75/946357375.db2.gz XQGRPPZKMUGUKH-ZDUSSCGKSA-N 0 1 376.486 1.435 20 0 GDADMN CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC2(CCOCC2)C1 ZINC001573498128 946357388 /nfs/dbraw/zinc/35/73/88/946357388.db2.gz XQGRPPZKMUGUKH-ZDUSSCGKSA-N 0 1 376.486 1.435 20 0 GDADMN CN(C)c1cccc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001571305774 946375412 /nfs/dbraw/zinc/37/54/12/946375412.db2.gz CICFGKXEBSESBC-UHFFFAOYSA-N 0 1 391.479 1.795 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)c2scnc2Cl)C1 ZINC001571306185 946391798 /nfs/dbraw/zinc/39/17/98/946391798.db2.gz QLOHYGIHNPVZFK-MRVPVSSYSA-N 0 1 391.848 1.118 20 0 GDADMN O=C(c1ccncn1)N1CCC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571306526 946402865 /nfs/dbraw/zinc/40/28/65/946402865.db2.gz WSMZVLFEAOFNRS-QMMMGPOBSA-N 0 1 391.848 1.483 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001571308047 946428716 /nfs/dbraw/zinc/42/87/16/946428716.db2.gz KQGPPZXXBFWPDV-UONOGXRCSA-N 0 1 392.410 1.563 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001571308047 946428724 /nfs/dbraw/zinc/42/87/24/946428724.db2.gz KQGPPZXXBFWPDV-UONOGXRCSA-N 0 1 392.410 1.563 20 0 GDADMN CN(Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571308546 946433933 /nfs/dbraw/zinc/43/39/33/946433933.db2.gz QPLMIPHFQOBQOV-SCLBCKFNSA-N 0 1 392.410 1.167 20 0 GDADMN CN(C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C(F)F)c1ccnc(-c2nn[nH]n2)n1 ZINC001571308916 946438392 /nfs/dbraw/zinc/43/83/92/946438392.db2.gz VWJBQYSOEFTURL-WOPDTQHZSA-N 0 1 392.414 1.375 20 0 GDADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccc2c(c1)COC2 ZINC001571309555 946447437 /nfs/dbraw/zinc/44/74/37/946447437.db2.gz DDPIUQUEWXDUOQ-HNNXBMFYSA-N 0 1 392.423 1.086 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccoc1C1CC1 ZINC001571310207 946466978 /nfs/dbraw/zinc/46/69/78/946466978.db2.gz YITICQFSIJJUFD-ZSOGYDGISA-N 0 1 392.423 1.239 20 0 GDADMN CCn1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4-c4nn[nH]n4)C[C@H]32)n1 ZINC001571312720 946500684 /nfs/dbraw/zinc/50/06/84/946500684.db2.gz BPEYBZFOWVAORO-CRAIPNDOSA-N 0 1 392.467 1.430 20 0 GDADMN C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001571313323 946518528 /nfs/dbraw/zinc/51/85/28/946518528.db2.gz MOTHVFCOZILPLR-AWEZNQCLSA-N 0 1 392.467 1.675 20 0 GDADMN CC(=O)N1CCCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823981944 946532441 /nfs/dbraw/zinc/53/24/41/946532441.db2.gz TVKWZEODUNOMQD-UHFFFAOYSA-N 0 1 380.456 1.321 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)c(C)c1 ZINC001571314994 946547839 /nfs/dbraw/zinc/54/78/39/946547839.db2.gz GAWDBNZIOOXIGV-HOCLYGCPSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1cccc([C@@H](C)C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315831 946561230 /nfs/dbraw/zinc/56/12/30/946561230.db2.gz PAMYLVDZKOKGGI-GDBMZVCRSA-N 0 1 392.467 1.806 20 0 GDADMN Cc1cc(N[C@H]2CCC[C@H](NC(=O)Cc3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316291 946571484 /nfs/dbraw/zinc/57/14/84/946571484.db2.gz YNMLPDDFJQDQKO-HOTGVXAUSA-N 0 1 392.467 1.469 20 0 GDADMN Cc1cnc(C(=O)N2CC[C@H](CCNc3ccncc3-c3nn[nH]n3)C2)cc1C ZINC001571316744 946586923 /nfs/dbraw/zinc/58/69/23/946586923.db2.gz LJNZYEUVPIUHFH-HNNXBMFYSA-N 0 1 392.467 1.660 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1n[nH]c2c1CCCC2 ZINC001571317263 946604064 /nfs/dbraw/zinc/60/40/64/946604064.db2.gz ZSXRHVMYMFHISH-AWEZNQCLSA-N 0 1 392.467 1.473 20 0 GDADMN C[C@H](NCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc([S@](C)=O)cc1 ZINC000824565081 946805337 /nfs/dbraw/zinc/80/53/37/946805337.db2.gz YQFDJOGTRGXIMY-JWNZJDHWSA-N 0 1 384.465 1.893 20 0 GDADMN C[C@@H](NCc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000824612213 946862721 /nfs/dbraw/zinc/86/27/21/946862721.db2.gz KUZSANNHGJQAJY-SNVBAGLBSA-N 0 1 376.417 1.504 20 0 GDADMN CC[NH+](CC)Cc1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825417337 947183771 /nfs/dbraw/zinc/18/37/71/947183771.db2.gz QBNVMWRJJWRFID-UHFFFAOYSA-N 0 1 383.456 1.864 20 0 GDADMN CC[NH+](CC)Cc1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825417337 947183773 /nfs/dbraw/zinc/18/37/73/947183773.db2.gz QBNVMWRJJWRFID-UHFFFAOYSA-N 0 1 383.456 1.864 20 0 GDADMN C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586360 947286606 /nfs/dbraw/zinc/28/66/06/947286606.db2.gz OXGLZXDPAKNVNT-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573593179 947363663 /nfs/dbraw/zinc/36/36/63/947363663.db2.gz REGCYPKHYRATBQ-UKRRQHHQSA-N 0 1 387.488 1.344 20 0 GDADMN C[C@@H](C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1ccco1 ZINC001573595015 947412433 /nfs/dbraw/zinc/41/24/33/947412433.db2.gz WKCHBQYFVUVBAS-WBMJQRKESA-N 0 1 381.440 1.729 20 0 GDADMN C[C@H](C(=O)N(C)c1ccccc1Br)n1cnc(-c2nn[nH]n2)n1 ZINC001573603616 947491259 /nfs/dbraw/zinc/49/12/59/947491259.db2.gz INYVDHHUIOICAQ-MRVPVSSYSA-N 0 1 377.206 1.445 20 0 GDADMN C[C@@H](C(=O)N(C)c1ccccc1Br)n1cnc(-c2nn[nH]n2)n1 ZINC001573603617 947491885 /nfs/dbraw/zinc/49/18/85/947491885.db2.gz INYVDHHUIOICAQ-QMMMGPOBSA-N 0 1 377.206 1.445 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000826170032 947531912 /nfs/dbraw/zinc/53/19/12/947531912.db2.gz MSGXVFGCBTUGQA-NSHDSACASA-N 0 1 388.453 1.374 20 0 GDADMN C[C@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@H](C)C(C)(C)C ZINC001573607165 947540880 /nfs/dbraw/zinc/54/08/80/947540880.db2.gz GIGYDFPQGBAGKE-KBPBESRZSA-N 0 1 389.504 1.235 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573615701 947610762 /nfs/dbraw/zinc/61/07/62/947610762.db2.gz JUUIBBBCZZSPGY-UONOGXRCSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573616927 947631208 /nfs/dbraw/zinc/63/12/08/947631208.db2.gz ZGJTZLYRWXXHHH-YJYMSZOUSA-N 0 1 384.488 1.555 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC2([C@@H](C)CCO)CCC2)cc1-c1nn[nH]n1 ZINC000826229485 947672518 /nfs/dbraw/zinc/67/25/18/947672518.db2.gz GGWJXIFPCBODJP-JTQLQIEISA-N 0 1 392.485 1.608 20 0 GDADMN C=Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573358910 947673959 /nfs/dbraw/zinc/67/39/59/947673959.db2.gz MGYACONSEJRABR-HNNXBMFYSA-N 0 1 376.424 1.699 20 0 GDADMN CC(=O)CCCC(=O)N(C)[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573364118 947718069 /nfs/dbraw/zinc/71/80/69/947718069.db2.gz GGSXDPIWPYORES-QGZVFWFLSA-N 0 1 385.472 1.400 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573627482 947725577 /nfs/dbraw/zinc/72/55/77/947725577.db2.gz CFIUAAJDOYRWBU-GDBMZVCRSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573627725 947732270 /nfs/dbraw/zinc/73/22/70/947732270.db2.gz FRYVVLQQJABLRR-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573628206 947748286 /nfs/dbraw/zinc/74/82/86/947748286.db2.gz GJRJGNYZZFRRLF-GHMZBOCLSA-N 0 1 380.403 1.020 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573372685 947782244 /nfs/dbraw/zinc/78/22/44/947782244.db2.gz CBVVLDMMTLFQHO-HNNXBMFYSA-N 0 1 385.472 1.484 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573630558 947792538 /nfs/dbraw/zinc/79/25/38/947792538.db2.gz YQSGKKPIVQIEJO-AEGPPILISA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573630516 947793260 /nfs/dbraw/zinc/79/32/60/947793260.db2.gz YJQUOLDXSJGASW-WDEREUQCSA-N 0 1 380.403 1.375 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cccn1 ZINC001573637742 947820964 /nfs/dbraw/zinc/82/09/64/947820964.db2.gz OWELBAUPUQXRFJ-OAHLLOKOSA-N 0 1 380.456 1.359 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccc(F)c1 ZINC001573641594 947857405 /nfs/dbraw/zinc/85/74/05/947857405.db2.gz MBNOHNHKKBZKSL-LBPRGKRZSA-N 0 1 382.403 1.248 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H](C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573380516 947861445 /nfs/dbraw/zinc/86/14/45/947861445.db2.gz DQNQXYIBTVUKNF-MRVPVSSYSA-N 0 1 385.881 1.677 20 0 GDADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc(-c4nn[nH]n4)cc3F)[nH]c21 ZINC000826304283 947873374 /nfs/dbraw/zinc/87/33/74/947873374.db2.gz FUQNVWBHKQSWGL-UHFFFAOYSA-N 0 1 394.370 1.445 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573647436 947894307 /nfs/dbraw/zinc/89/43/07/947894307.db2.gz LABXWHKJGUYVTP-UMVBOHGHSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(C)(F)F ZINC001573652580 947941483 /nfs/dbraw/zinc/94/14/83/947941483.db2.gz DURUPEKEZCBDHY-RFAUZJTJSA-N 0 1 380.403 1.067 20 0 GDADMN Cc1oc(NC(=O)C[NH2+][C@H](CCO)C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000826342109 947981985 /nfs/dbraw/zinc/98/19/85/947981985.db2.gz YHMSIAAOOGUTRO-CQSZACIVSA-N 0 1 376.461 1.936 20 0 GDADMN Cc1onc(CC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1-c1nn[n-]n1 ZINC000826343893 947997094 /nfs/dbraw/zinc/99/70/94/947997094.db2.gz QDJCAEIUSNLYSR-UHFFFAOYSA-N 0 1 385.428 1.422 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000826344272 948005137 /nfs/dbraw/zinc/00/51/37/948005137.db2.gz CECZBHHMKHSXQU-DZGCQCFKSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000826344272 948005146 /nfs/dbraw/zinc/00/51/46/948005146.db2.gz CECZBHHMKHSXQU-DZGCQCFKSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826344272 948005151 /nfs/dbraw/zinc/00/51/51/948005151.db2.gz CECZBHHMKHSXQU-DZGCQCFKSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826344272 948005158 /nfs/dbraw/zinc/00/51/58/948005158.db2.gz CECZBHHMKHSXQU-DZGCQCFKSA-N 0 1 387.488 1.819 20 0 GDADMN C[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1)C1CC1 ZINC001573660264 948021286 /nfs/dbraw/zinc/02/12/86/948021286.db2.gz ZDHNNKDUXKRKMV-GFCCVEGCSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1)C1CC1 ZINC001573660264 948021293 /nfs/dbraw/zinc/02/12/93/948021293.db2.gz ZDHNNKDUXKRKMV-GFCCVEGCSA-N 0 1 390.513 1.729 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346724 948043361 /nfs/dbraw/zinc/04/33/61/948043361.db2.gz UMTVMCVCFCRBOV-IUODEOHRSA-N 0 1 381.440 1.485 20 0 GDADMN Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826346724 948043373 /nfs/dbraw/zinc/04/33/73/948043373.db2.gz UMTVMCVCFCRBOV-IUODEOHRSA-N 0 1 381.440 1.485 20 0 GDADMN C[C@@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1)[C@H]1CCCO1 ZINC001573664720 948059871 /nfs/dbraw/zinc/05/98/71/948059871.db2.gz XTJZSUBMHRIXBO-CZUORRHYSA-N 0 1 385.472 1.340 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1-c1nnn[n-]1 ZINC000826348587 948078158 /nfs/dbraw/zinc/07/81/58/948078158.db2.gz UMVHFWLLBBJBIP-UHFFFAOYSA-N 0 1 381.440 1.983 20 0 GDADMN Cc1onc(CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1-c1nn[n-]n1 ZINC000826348587 948078170 /nfs/dbraw/zinc/07/81/70/948078170.db2.gz UMVHFWLLBBJBIP-UHFFFAOYSA-N 0 1 381.440 1.983 20 0 GDADMN C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCCO1 ZINC001573676185 948125136 /nfs/dbraw/zinc/12/51/36/948125136.db2.gz SJUKYBUKTHSUAE-IUODEOHRSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@H](CNC(=O)[C@H](C)c1cccc(F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573677291 948134783 /nfs/dbraw/zinc/13/47/83/948134783.db2.gz BUYRWIRQLILBGS-VXGBXAGGSA-N 0 1 384.419 1.540 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccc1 ZINC001573679357 948159826 /nfs/dbraw/zinc/15/98/26/948159826.db2.gz IBYUHUGXIQSLPG-SWLSCSKDSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccc1 ZINC001573679357 948159831 /nfs/dbraw/zinc/15/98/31/948159831.db2.gz IBYUHUGXIQSLPG-SWLSCSKDSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680540 948183173 /nfs/dbraw/zinc/18/31/73/948183173.db2.gz QOUCOXNZRVKAOL-ZJUUUORDSA-N 0 1 380.403 1.279 20 0 GDADMN CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573432076 948185292 /nfs/dbraw/zinc/18/52/92/948185292.db2.gz CTBXQHSWUOFLHV-OCCSQVGLSA-N 0 1 386.353 1.895 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)n1cccc1 ZINC001573681102 948195283 /nfs/dbraw/zinc/19/52/83/948195283.db2.gz ULALULBOTZOTCS-CHWSQXEVSA-N 0 1 381.444 1.050 20 0 GDADMN C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1)C1CC1 ZINC001573681293 948199935 /nfs/dbraw/zinc/19/99/35/948199935.db2.gz UMUKAUFYQGFCOG-WFASDCNBSA-N 0 1 378.440 1.394 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1)C1CCC1 ZINC001573690616 948228597 /nfs/dbraw/zinc/22/85/97/948228597.db2.gz FKRCGBRFJWMZRQ-APPZFPTMSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(C)C ZINC001573692220 948257692 /nfs/dbraw/zinc/25/76/92/948257692.db2.gz NCOGECLUIKWJOY-BXUZGUMPSA-N 0 1 378.452 1.255 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nnn[n-]2)s1 ZINC000826443694 948306176 /nfs/dbraw/zinc/30/61/76/948306176.db2.gz ZKQMILLKMLTZSR-HNNXBMFYSA-N 0 1 398.492 1.815 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nnn[n-]2)s1 ZINC000826443694 948306180 /nfs/dbraw/zinc/30/61/80/948306180.db2.gz ZKQMILLKMLTZSR-HNNXBMFYSA-N 0 1 398.492 1.815 20 0 GDADMN O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826443694 948306184 /nfs/dbraw/zinc/30/61/84/948306184.db2.gz ZKQMILLKMLTZSR-HNNXBMFYSA-N 0 1 398.492 1.815 20 0 GDADMN O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nn[n-]n2)s1 ZINC000826443694 948306186 /nfs/dbraw/zinc/30/61/86/948306186.db2.gz ZKQMILLKMLTZSR-HNNXBMFYSA-N 0 1 398.492 1.815 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001573695692 948309082 /nfs/dbraw/zinc/30/90/82/948309082.db2.gz YMWPYIOUTJVOPO-JQWIXIFHSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccsc1 ZINC001573695692 948309090 /nfs/dbraw/zinc/30/90/90/948309090.db2.gz YMWPYIOUTJVOPO-JQWIXIFHSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573703617 948357416 /nfs/dbraw/zinc/35/74/16/948357416.db2.gz LHZNVNSTYUNHMS-UONOGXRCSA-N 0 1 381.440 1.991 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F)C1CC1 ZINC001573705449 948399716 /nfs/dbraw/zinc/39/97/16/948399716.db2.gz FQVGPUDHDCDBIP-PWSUYJOCSA-N 0 1 392.414 1.281 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573708429 948449736 /nfs/dbraw/zinc/44/97/36/948449736.db2.gz VFNUIWDUUZMVDO-RYUDHWBXSA-N 0 1 384.469 1.464 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)[C@@H]1CCCO1 ZINC001573719751 948529089 /nfs/dbraw/zinc/52/90/89/948529089.db2.gz OYDBBHKNZYPRLW-BDAKNGLRSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@H](C(=O)NCCN1CCC(Nc2ncccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573721032 948537288 /nfs/dbraw/zinc/53/72/88/948537288.db2.gz VJAOCOJYJUBWBS-ZDUSSCGKSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)n1cccc1 ZINC001573728595 948561276 /nfs/dbraw/zinc/56/12/76/948561276.db2.gz QBWRJLCKVJJYQF-QLFBSQMISA-N 0 1 380.456 1.513 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C(F)(F)F ZINC001573729867 948573017 /nfs/dbraw/zinc/57/30/17/948573017.db2.gz VOBCWXMHADZVKC-OPRDCNLKSA-N 0 1 384.366 1.044 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573731775 948594173 /nfs/dbraw/zinc/59/41/73/948594173.db2.gz YTIMBGZKIIQAHQ-SRVKXCTJSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)c1cccnc1 ZINC001573732760 948608558 /nfs/dbraw/zinc/60/85/58/948608558.db2.gz XCVWECJSCXUQFJ-STQMWFEESA-N 0 1 383.431 1.799 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573736059 948611206 /nfs/dbraw/zinc/61/12/06/948611206.db2.gz FANKBCHKXYPMGZ-NWDGAFQWSA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cccnc1 ZINC001573745971 948676937 /nfs/dbraw/zinc/67/69/37/948676937.db2.gz HKHLHSOTFMZLGM-FPMFFAJLSA-N 0 1 383.481 1.864 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cccnc1 ZINC001573745971 948676939 /nfs/dbraw/zinc/67/69/39/948676939.db2.gz HKHLHSOTFMZLGM-FPMFFAJLSA-N 0 1 383.481 1.864 20 0 GDADMN C[C@@H](C(=O)Nc1nc2ccccc2n1CC1CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573754715 948747907 /nfs/dbraw/zinc/74/79/07/948747907.db2.gz IYESWAUTPYNGMY-JTQLQIEISA-N 0 1 378.400 1.418 20 0 GDADMN CC(F)(F)C1(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575223957 948774179 /nfs/dbraw/zinc/77/41/79/948774179.db2.gz QKSAHYWFHWVVKK-UHFFFAOYSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@@H](C(=O)Nc1cc(Cl)c2c(c1)OCCO2)n1cnc(-c2nn[nH]n2)n1 ZINC001573755584 948775550 /nfs/dbraw/zinc/77/55/50/948775550.db2.gz FPDIHYIMZBMCCV-ZETCQYMHSA-N 0 1 376.764 1.083 20 0 GDADMN CC[C@@](COC)([NH2+]CC(=O)Nc1ccc(Br)cc1F)C(=O)[O-] ZINC000328572551 971508905 /nfs/dbraw/zinc/50/89/05/971508905.db2.gz URPTZASBSQHFJD-AWEZNQCLSA-N 0 1 377.210 1.996 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573761285 948842337 /nfs/dbraw/zinc/84/23/37/948842337.db2.gz GCZXMURKUNLFMO-LLVKDONJSA-N 0 1 379.415 1.625 20 0 GDADMN CC(F)(F)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575229506 948852411 /nfs/dbraw/zinc/85/24/11/948852411.db2.gz KYPSNCLHPQMKKG-PIGZYNQJSA-N 0 1 392.414 1.567 20 0 GDADMN CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001574088326 948917509 /nfs/dbraw/zinc/91/75/09/948917509.db2.gz AWTZSRRHZQKUKF-SZOQZIPDSA-N 0 1 385.472 1.194 20 0 GDADMN CC(C)(C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573765708 948919123 /nfs/dbraw/zinc/91/91/23/948919123.db2.gz ZJGBDHYQUJMQQD-AWEZNQCLSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001574088584 948929236 /nfs/dbraw/zinc/92/92/36/948929236.db2.gz BKFXTYXPSJDGIT-ZIAGYGMSSA-N 0 1 391.501 1.145 20 0 GDADMN CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574432949 948946964 /nfs/dbraw/zinc/94/69/64/948946964.db2.gz QGHDGQUQIXNWBD-GFCCVEGCSA-N 0 1 381.444 1.430 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575237484 948947681 /nfs/dbraw/zinc/94/76/81/948947681.db2.gz GIJUJXAMOHZGAL-NSHDSACASA-N 0 1 380.403 1.567 20 0 GDADMN CC(C)(C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573772559 948962387 /nfs/dbraw/zinc/96/23/87/948962387.db2.gz UVWUJDRGONDNFE-MRXNPFEDSA-N 0 1 384.488 1.443 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573772844 948969106 /nfs/dbraw/zinc/96/91/06/948969106.db2.gz WYWBXQNDMPYTQS-UWVGGRQHSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCC1 ZINC001573773318 948981066 /nfs/dbraw/zinc/98/10/66/948981066.db2.gz KLMMLOBRSSPDGE-GFCCVEGCSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)CCO1 ZINC001574091385 949009254 /nfs/dbraw/zinc/00/92/54/949009254.db2.gz KUIORKVGLSBPBX-CZUORRHYSA-N 0 1 385.472 1.196 20 0 GDADMN CC(C)(C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)C1CCCCC1 ZINC001573774783 949023541 /nfs/dbraw/zinc/02/35/41/949023541.db2.gz VUVWVBNANLNASR-CQSZACIVSA-N 0 1 387.488 1.179 20 0 GDADMN CC(C)[C@@]1(C)C[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091666 949026225 /nfs/dbraw/zinc/02/62/25/949026225.db2.gz PZSJMHNKFODEOD-SCLBCKFNSA-N 0 1 384.488 1.459 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCC1 ZINC001573779444 949063416 /nfs/dbraw/zinc/06/34/16/949063416.db2.gz IDTRBEDUQNWZOS-CQSZACIVSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574694888 949096304 /nfs/dbraw/zinc/09/63/04/949096304.db2.gz XOHATGJZTBGJCG-CYBMUJFWSA-N 0 1 380.456 1.315 20 0 GDADMN CC(C)c1ocnc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446097 949118690 /nfs/dbraw/zinc/11/86/90/949118690.db2.gz IJNLZZTZNLWSHF-NSHDSACASA-N 0 1 383.416 1.119 20 0 GDADMN C[C@@H](NC(=O)[C@H](C)n1cccc1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251058 949125689 /nfs/dbraw/zinc/12/56/89/949125689.db2.gz KQCICGQKSUIRHC-OLZOCXBDSA-N 0 1 385.497 1.927 20 0 GDADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[NH+]1CCCC1 ZINC001573782823 949133699 /nfs/dbraw/zinc/13/36/99/949133699.db2.gz LDOQNWSUVBMYHO-CTYIDZIISA-N 0 1 384.488 1.443 20 0 GDADMN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001602793061 971553387 /nfs/dbraw/zinc/55/33/87/971553387.db2.gz OPCSOYCSPFUQMS-YUELXQCFSA-N 0 1 399.451 1.036 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575251464 949141681 /nfs/dbraw/zinc/14/16/81/949141681.db2.gz NMAQBNLYAATFGZ-OLZOCXBDSA-N 0 1 380.456 1.362 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573786824 949151017 /nfs/dbraw/zinc/15/10/17/949151017.db2.gz DNMWRHWXSPFETA-MQMHXKEQSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575252421 949163271 /nfs/dbraw/zinc/16/32/71/949163271.db2.gz QHXGAZIECQCBGY-DTWKUNHWSA-N 0 1 386.382 1.362 20 0 GDADMN C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575253090 949179284 /nfs/dbraw/zinc/17/92/84/949179284.db2.gz IKURDYBUEGWDNE-CHWSQXEVSA-N 0 1 378.440 1.116 20 0 GDADMN C[C@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575253098 949179313 /nfs/dbraw/zinc/17/93/13/949179313.db2.gz IKURDYBUEGWDNE-STQMWFEESA-N 0 1 378.440 1.116 20 0 GDADMN CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574448341 949188941 /nfs/dbraw/zinc/18/89/41/949188941.db2.gz JCBOSHOVKVMGAN-LLVKDONJSA-N 0 1 383.416 1.167 20 0 GDADMN C[C@H](c1cnccn1)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575516704 949214224 /nfs/dbraw/zinc/21/42/24/949214224.db2.gz QYKXEVBKPZLJSV-CHWSQXEVSA-N 0 1 381.444 1.282 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001574451156 949216524 /nfs/dbraw/zinc/21/65/24/949216524.db2.gz FFIGPJAJKHPWKK-GFCCVEGCSA-N 0 1 382.428 1.629 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)C1 ZINC001589604816 949235724 /nfs/dbraw/zinc/23/57/24/949235724.db2.gz HWSKKWKXJUFZRQ-FQEVSTJZSA-N 0 1 375.469 1.969 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574699473 949237723 /nfs/dbraw/zinc/23/77/23/949237723.db2.gz VERXZUZSAVMCRH-CHWSQXEVSA-N 0 1 390.463 1.757 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574699474 949240184 /nfs/dbraw/zinc/24/01/84/949240184.db2.gz VERXZUZSAVMCRH-OLZOCXBDSA-N 0 1 390.463 1.757 20 0 GDADMN CC(C)n1cc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001574452877 949267510 /nfs/dbraw/zinc/26/75/10/949267510.db2.gz PGYKZJXERUQZRW-QGZVFWFLSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574940616 949270448 /nfs/dbraw/zinc/27/04/48/949270448.db2.gz HMOJPCGOPNWUMJ-NSHDSACASA-N 0 1 387.394 1.781 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc[nH]1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574940895 949282763 /nfs/dbraw/zinc/28/27/63/949282763.db2.gz LXCIRBFDRWLGPO-QMMMGPOBSA-N 0 1 380.865 1.712 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@]1(F)CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703088 949310468 /nfs/dbraw/zinc/31/04/68/949310468.db2.gz QNFOACKAGSWKSP-FUXBKTLASA-N 0 1 389.844 1.364 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703075 949310965 /nfs/dbraw/zinc/31/09/65/949310965.db2.gz QHINWJXPHXFHAB-RTHLEPHNSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574941821 949321848 /nfs/dbraw/zinc/32/18/48/949321848.db2.gz SZZSLEHSMCVCKV-ZDUSSCGKSA-N 0 1 392.467 1.718 20 0 GDADMN C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575259160 949322266 /nfs/dbraw/zinc/32/22/66/949322266.db2.gz MXAGJGWUSGBNLJ-UONOGXRCSA-N 0 1 383.456 1.677 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@@H](C)CNCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001574457596 949327606 /nfs/dbraw/zinc/32/76/06/949327606.db2.gz KVUABJOGMMZYRM-LBPRGKRZSA-N 0 1 386.435 1.691 20 0 GDADMN CC(C)n1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001574458672 949346015 /nfs/dbraw/zinc/34/60/15/949346015.db2.gz WZFOFGLGVZXGAF-LBPRGKRZSA-N 0 1 386.485 1.710 20 0 GDADMN CC(C)n1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001574458672 949346032 /nfs/dbraw/zinc/34/60/32/949346032.db2.gz WZFOFGLGVZXGAF-LBPRGKRZSA-N 0 1 386.485 1.710 20 0 GDADMN C[C@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260898 949369174 /nfs/dbraw/zinc/36/91/74/949369174.db2.gz YJCMINACZQMWNK-QWHCGFSZSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C1(C)C ZINC001574112598 949387844 /nfs/dbraw/zinc/38/78/44/949387844.db2.gz LGLJHTVBAZMYBG-MAZHCROVSA-N 0 1 384.488 1.812 20 0 GDADMN C[C@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575866385 949407498 /nfs/dbraw/zinc/40/74/98/949407498.db2.gz FQJDVIKWKWTZRE-WDEREUQCSA-N 0 1 392.414 1.566 20 0 GDADMN C[C@H]1CCC[C@@H](C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576155812 949417595 /nfs/dbraw/zinc/41/75/95/949417595.db2.gz VGJJAOJEAHCEMO-DZGCQCFKSA-N 0 1 384.488 1.816 20 0 GDADMN CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CC=CC1 ZINC001575534158 949422964 /nfs/dbraw/zinc/42/29/64/949422964.db2.gz KKBZIEOFEJBGRS-OKILXGFUSA-N 0 1 380.456 1.583 20 0 GDADMN CC(C)CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001574116630 949428486 /nfs/dbraw/zinc/42/84/86/949428486.db2.gz BXUYFWLFVJWJOR-UHFFFAOYSA-N 0 1 378.502 1.729 20 0 GDADMN CC(C)CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001574116630 949428501 /nfs/dbraw/zinc/42/85/01/949428501.db2.gz BXUYFWLFVJWJOR-UHFFFAOYSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574705623 949432932 /nfs/dbraw/zinc/43/29/32/949432932.db2.gz JILCECJOXKHMRR-GHMZBOCLSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@]1(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575536395 949472291 /nfs/dbraw/zinc/47/22/91/949472291.db2.gz IBPFFVDDXJBUJY-VFNWGFHPSA-N 0 1 389.463 1.601 20 0 GDADMN C[C@H]1CCCC[C@]1(CNCc1ccon1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576157537 949486773 /nfs/dbraw/zinc/48/67/73/949486773.db2.gz RHNSVZTUCOOFGU-KPZWWZAWSA-N 0 1 384.444 1.651 20 0 GDADMN C[C@]1(C(=O)N2CC[C@@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)CCOC1 ZINC001575537167 949490804 /nfs/dbraw/zinc/49/08/04/949490804.db2.gz SHRUIZKHTBHRIK-CLAHSXSESA-N 0 1 383.865 1.416 20 0 GDADMN CC(C)CC(=O)NC[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1 ZINC001574121479 949514714 /nfs/dbraw/zinc/51/47/14/949514714.db2.gz RHRYJBVWVDDGNU-INIZCTEOSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576159400 949516787 /nfs/dbraw/zinc/51/67/87/949516787.db2.gz XERKFNNIYMCZGS-XUWVNRHRSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H](CC(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001574475805 949576333 /nfs/dbraw/zinc/57/63/33/949576333.db2.gz BZFUCSHETCLANL-BLLLJJGKSA-N 0 1 390.463 1.351 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCO1 ZINC001573810844 949579354 /nfs/dbraw/zinc/57/93/54/949579354.db2.gz DTZBPIGCQYCZMQ-AWEZNQCLSA-N 0 1 392.485 1.437 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCO1 ZINC001573810844 949579371 /nfs/dbraw/zinc/57/93/71/949579371.db2.gz DTZBPIGCQYCZMQ-AWEZNQCLSA-N 0 1 392.485 1.437 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574713165 949601188 /nfs/dbraw/zinc/60/11/88/949601188.db2.gz WCYHKAUHXUGLOV-SWLSCSKDSA-N 0 1 379.424 1.119 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576167206 949604072 /nfs/dbraw/zinc/60/40/72/949604072.db2.gz PIZMBRTWJKFYNI-SUMWQHHRSA-N 0 1 385.472 1.149 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C1CC1)C1CC1 ZINC001573814279 949639528 /nfs/dbraw/zinc/63/95/28/949639528.db2.gz CRSPPLVMUUYYDQ-CYBMUJFWSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1cnc[nH]1 ZINC001573814275 949639874 /nfs/dbraw/zinc/63/98/74/949639874.db2.gz CQZFMPXNVHCXRC-HNNXBMFYSA-N 0 1 383.460 1.560 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001573815011 949647984 /nfs/dbraw/zinc/64/79/84/949647984.db2.gz GANZFEDRMMQHGA-AWEZNQCLSA-N 0 1 380.456 1.320 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1nccs1 ZINC001576169001 949657515 /nfs/dbraw/zinc/65/75/15/949657515.db2.gz DKYRSVSRWODQHM-BXUZGUMPSA-N 0 1 386.485 1.682 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716104 949677885 /nfs/dbraw/zinc/67/78/85/949677885.db2.gz MJWHQPFEYOOWTB-CZUORRHYSA-N 0 1 390.463 1.902 20 0 GDADMN CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575553719 949692224 /nfs/dbraw/zinc/69/22/24/949692224.db2.gz PBKNWVJKMLKWDG-LSDHHAIUSA-N 0 1 390.451 1.285 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574716433 949693666 /nfs/dbraw/zinc/69/36/66/949693666.db2.gz OJQSEVWBABAWJG-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cc(Cl)no1 ZINC001573817800 949706705 /nfs/dbraw/zinc/70/67/05/949706705.db2.gz BGAGMAMCISKKJF-GFCCVEGCSA-N 0 1 390.835 1.582 20 0 GDADMN C[C@H](NC(=O)CCc1ccncc1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575276265 949713615 /nfs/dbraw/zinc/71/36/15/949713615.db2.gz HYLBLLQDSVIDQT-HNNXBMFYSA-N 0 1 391.479 1.831 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574960206 949722280 /nfs/dbraw/zinc/72/22/80/949722280.db2.gz VPQJPTUVKSNJFS-FKTZTGRPSA-N 0 1 381.893 1.964 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1occc1Cl ZINC001573818197 949722834 /nfs/dbraw/zinc/72/28/34/949722834.db2.gz IDNLRQKCKGPDJY-JTQLQIEISA-N 0 1 390.835 1.582 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574961013 949735662 /nfs/dbraw/zinc/73/56/62/949735662.db2.gz ZJCNDUQTTYPPAO-DDTOSNHZSA-N 0 1 399.405 1.682 20 0 GDADMN C[C@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575277106 949742354 /nfs/dbraw/zinc/74/23/54/949742354.db2.gz NTWBSXFKCQJYLX-KBPBESRZSA-N 0 1 381.440 1.458 20 0 GDADMN C[C@@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCCOC1 ZINC001575558743 949742542 /nfs/dbraw/zinc/74/25/42/949742542.db2.gz RQOLYUBOFKYXRS-RDTXWAMCSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@]1(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCCOC1 ZINC001575558743 949742557 /nfs/dbraw/zinc/74/25/57/949742557.db2.gz RQOLYUBOFKYXRS-RDTXWAMCSA-N 0 1 390.513 1.729 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573818742 949745696 /nfs/dbraw/zinc/74/56/96/949745696.db2.gz PDEQJSXLEIXPHJ-OUJBWJOFSA-N 0 1 379.415 1.528 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001574480421 949748419 /nfs/dbraw/zinc/74/84/19/949748419.db2.gz IGYIEMYBERHLMQ-ZIAGYGMSSA-N 0 1 381.440 1.731 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C=Cc1ccc[nH]1 ZINC001573819325 949754135 /nfs/dbraw/zinc/75/41/35/949754135.db2.gz SYRQXZPOAUAHOL-WLMCBFPDSA-N 0 1 380.456 1.668 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576171265 949757562 /nfs/dbraw/zinc/75/75/62/949757562.db2.gz PXWXLDZQOZRFKH-WMLDXEAASA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576171265 949757578 /nfs/dbraw/zinc/75/75/78/949757578.db2.gz PXWXLDZQOZRFKH-WMLDXEAASA-N 0 1 386.504 1.641 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718335 949775627 /nfs/dbraw/zinc/77/56/27/949775627.db2.gz ZYKUYZMNOWKAEF-PIGZYNQJSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718335 949775647 /nfs/dbraw/zinc/77/56/47/949775647.db2.gz ZYKUYZMNOWKAEF-PIGZYNQJSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001576171739 949777587 /nfs/dbraw/zinc/77/75/87/949777587.db2.gz RNIDEVZIDFONSM-KGLIPLIRSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H](NC(=O)CCc1cnc[nH]1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575279234 949780161 /nfs/dbraw/zinc/78/01/61/949780161.db2.gz XQTIMFMLNXXDRN-UWVGGRQHSA-N 0 1 389.851 1.576 20 0 GDADMN CC(C)C[C@@H](C)CN1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574138466 949791787 /nfs/dbraw/zinc/79/17/87/949791787.db2.gz CYNQHQNDPHQUOC-CYBMUJFWSA-N 0 1 375.477 1.044 20 0 GDADMN C[C@@H](CN(C)C(=O)CCCc1cccs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720665 949798782 /nfs/dbraw/zinc/79/87/82/949798782.db2.gz FXGFKRFLWCPVDB-LBPRGKRZSA-N 0 1 386.485 1.422 20 0 GDADMN C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574966288 949842760 /nfs/dbraw/zinc/84/27/60/949842760.db2.gz WJEABLVHELDQOM-IMJJTQAJSA-N 0 1 377.452 1.652 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574723006 949850454 /nfs/dbraw/zinc/85/04/54/949850454.db2.gz ZKEHEEJHEPBNPJ-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574723006 949850473 /nfs/dbraw/zinc/85/04/73/949850473.db2.gz ZKEHEEJHEPBNPJ-ZDUSSCGKSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@]1(C(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575564160 949855888 /nfs/dbraw/zinc/85/58/88/949855888.db2.gz ODDVIUCJHFPNOH-JXFKEZNVSA-N 0 1 384.484 1.764 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001574484191 949864407 /nfs/dbraw/zinc/86/44/07/949864407.db2.gz FFLOFXNOGJPUDZ-NXEZZACHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178623 949892325 /nfs/dbraw/zinc/89/23/25/949892325.db2.gz CGNBCWANEVMJPM-XHDPSFHLSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)CCCOC1 ZINC001575569074 949908086 /nfs/dbraw/zinc/90/80/86/949908086.db2.gz FQCGZVMXQIQDRC-PXAZEXFGSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)CC(C)(C)C ZINC001574484868 949909014 /nfs/dbraw/zinc/90/90/14/949909014.db2.gz QILZYEKCMJUDRX-KGLIPLIRSA-N 0 1 386.504 1.944 20 0 GDADMN C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575284750 949918379 /nfs/dbraw/zinc/91/83/79/949918379.db2.gz WKBOWQQWWOLOOA-OLZOCXBDSA-N 0 1 388.476 1.193 20 0 GDADMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)c1cnn2cc(Br)cnc12 ZINC001595276924 949924386 /nfs/dbraw/zinc/92/43/86/949924386.db2.gz RNGDNXLMGBPMAL-LLVKDONJSA-N 0 1 383.202 1.198 20 0 GDADMN C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574727023 949948931 /nfs/dbraw/zinc/94/89/31/949948931.db2.gz NLNHZKWMZIBNKI-LBPRGKRZSA-N 0 1 385.403 1.161 20 0 GDADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574488426 949949558 /nfs/dbraw/zinc/94/95/58/949949558.db2.gz FVOHGVPRZNDWAD-YNEHKIRRSA-N 0 1 382.428 1.124 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+]([C@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC001595280077 949967774 /nfs/dbraw/zinc/96/77/74/949967774.db2.gz MKCHQAZLMYAAPU-AXHNFQJDSA-N 0 1 380.391 1.489 20 0 GDADMN C[C@H](NC(=O)Cc1cccc(F)c1F)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575289616 949999257 /nfs/dbraw/zinc/99/92/57/949999257.db2.gz AKDIONQXRPGKDM-QWRGUYRKSA-N 0 1 387.394 1.510 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576181481 950008165 /nfs/dbraw/zinc/00/81/65/950008165.db2.gz IKLVLCSZVOFJMG-STQMWFEESA-N 0 1 381.444 1.124 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001576181654 950012557 /nfs/dbraw/zinc/01/25/57/950012557.db2.gz IQKDOISXGQUKPA-OCCSQVGLSA-N 0 1 381.444 1.124 20 0 GDADMN CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573834569 950022644 /nfs/dbraw/zinc/02/26/44/950022644.db2.gz ILRZKUOOYXSPOM-FQEVSTJZSA-N 0 1 386.500 1.746 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574730981 950041805 /nfs/dbraw/zinc/04/18/05/950041805.db2.gz UVELFOIDBFUWRE-VIFPVBQESA-N 0 1 392.876 1.295 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576182370 950047707 /nfs/dbraw/zinc/04/77/07/950047707.db2.gz ZHAOLZLTDVXRPD-NEPJUHHUSA-N 0 1 381.444 1.008 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCC[C@H](C)C1 ZINC001576182399 950050633 /nfs/dbraw/zinc/05/06/33/950050633.db2.gz ZIUAFSCOPYRUKL-RYUDHWBXSA-N 0 1 382.465 1.405 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574731506 950052229 /nfs/dbraw/zinc/05/22/29/950052229.db2.gz VTQWTUFFKVFZKG-LLVKDONJSA-N 0 1 386.847 1.234 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574731954 950056832 /nfs/dbraw/zinc/05/68/32/950056832.db2.gz YSXNHRPPXFVRSJ-SECBINFHSA-N 0 1 392.876 1.873 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnon1 ZINC001574151145 950061101 /nfs/dbraw/zinc/06/11/01/950061101.db2.gz LVIKWCQOTCAQNU-SNVBAGLBSA-N 0 1 376.446 1.246 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnon1 ZINC001574151145 950061124 /nfs/dbraw/zinc/06/11/24/950061124.db2.gz LVIKWCQOTCAQNU-SNVBAGLBSA-N 0 1 376.446 1.246 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCCO1 ZINC001574151208 950064931 /nfs/dbraw/zinc/06/49/31/950064931.db2.gz NKOXCLQZHIMRAL-RDJZCZTQSA-N 0 1 390.463 1.805 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183445 950089388 /nfs/dbraw/zinc/08/93/88/950089388.db2.gz SARYGDUFCMLEEM-GUYCJALGSA-N 0 1 378.440 1.431 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575894590 950105886 /nfs/dbraw/zinc/10/58/86/950105886.db2.gz FJRGXTIMFARJTF-ONGXEEELSA-N 0 1 388.819 1.690 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184146 950119142 /nfs/dbraw/zinc/11/91/42/950119142.db2.gz UOOUMTDXEPKWMW-ZIAGYGMSSA-N 0 1 387.463 1.720 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574734100 950128505 /nfs/dbraw/zinc/12/85/05/950128505.db2.gz IVTFKFPNEGEZPG-LMRQPLJMSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574734100 950128522 /nfs/dbraw/zinc/12/85/22/950128522.db2.gz IVTFKFPNEGEZPG-LMRQPLJMSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575898763 950155925 /nfs/dbraw/zinc/15/59/25/950155925.db2.gz UFDZQVXIAWOJRM-XJKSGUPXSA-N 0 1 380.456 1.383 20 0 GDADMN CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)CC(F)(F)C1 ZINC001575584416 950171379 /nfs/dbraw/zinc/17/13/79/950171379.db2.gz QUIJQEZEWRQQIO-UOJUARBOSA-N 0 1 389.410 1.496 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccco1 ZINC001574155015 950184354 /nfs/dbraw/zinc/18/43/54/950184354.db2.gz HZCMJVLTOJLSQF-ZDUSSCGKSA-N 0 1 384.444 1.247 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ncccn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575900127 950192037 /nfs/dbraw/zinc/19/20/37/950192037.db2.gz CJCBOSRUICQLSZ-BBRMVZONSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573844590 950200430 /nfs/dbraw/zinc/20/04/30/950200430.db2.gz CKHKGLCKKJHIIC-UONOGXRCSA-N 0 1 384.488 1.768 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574155579 950200257 /nfs/dbraw/zinc/20/02/57/950200257.db2.gz OHFBMFXTWVTXCJ-UWVGGRQHSA-N 0 1 386.382 1.220 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001574155577 950203317 /nfs/dbraw/zinc/20/33/17/950203317.db2.gz OFIZGVBVYHLHNU-WDEREUQCSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573845749 950241813 /nfs/dbraw/zinc/24/18/13/950241813.db2.gz KOVHUSWKSWHZOG-OUCADQQQSA-N 0 1 392.529 1.567 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cccc(F)c1 ZINC001574157710 950248957 /nfs/dbraw/zinc/24/89/57/950248957.db2.gz HCZVDEQRYMTSQG-CQSZACIVSA-N 0 1 384.419 1.474 20 0 GDADMN CC(=O)NCC[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)[C@H](C)C(=O)[O-] ZINC000263111830 950272026 /nfs/dbraw/zinc/27/20/26/950272026.db2.gz BUDHBIIJJQIFMW-KDOFPFPSSA-N 0 1 375.469 1.482 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)c1ncccc1[O-] ZINC001575905452 950295070 /nfs/dbraw/zinc/29/50/70/950295070.db2.gz CNCOQKSAVWUZPK-WFASDCNBSA-N 0 1 379.424 1.360 20 0 GDADMN C[C@H](CC(=O)NCC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574499757 950301658 /nfs/dbraw/zinc/30/16/58/950301658.db2.gz WUEAHAUNWVIZKE-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN CC1CC[NH+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001576193603 950306719 /nfs/dbraw/zinc/30/67/19/950306719.db2.gz URMMMUODKHVICD-UHFFFAOYSA-N 0 1 389.529 1.303 20 0 GDADMN CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)c1ncn[nH]1 ZINC001574160638 950345353 /nfs/dbraw/zinc/34/53/53/950345353.db2.gz PPWVFLYFPKJUJA-SNVBAGLBSA-N 0 1 390.839 1.290 20 0 GDADMN CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)c1nc[nH]n1 ZINC001574160638 950345375 /nfs/dbraw/zinc/34/53/75/950345375.db2.gz PPWVFLYFPKJUJA-SNVBAGLBSA-N 0 1 390.839 1.290 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574502085 950360439 /nfs/dbraw/zinc/36/04/39/950360439.db2.gz ITGHAPVAILVVIW-GHMZBOCLSA-N 0 1 383.378 1.793 20 0 GDADMN CC1(C(=O)NC[C@]23CCC[C@H]2N(c2ccnc(-c4nn[nH]n4)n2)CC3)CCC1 ZINC001575596568 950377288 /nfs/dbraw/zinc/37/72/88/950377288.db2.gz GBNJZOOUHQIRLR-BFUOFWGJSA-N 0 1 382.472 1.712 20 0 GDADMN CC(C)CC1(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162578 950388539 /nfs/dbraw/zinc/38/85/39/950388539.db2.gz DOISBBZELOQDSM-AWEZNQCLSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574503495 950414365 /nfs/dbraw/zinc/41/43/65/950414365.db2.gz XJMHODPORUOHPI-VHSXEESVSA-N 0 1 384.366 1.188 20 0 GDADMN CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575597877 950423930 /nfs/dbraw/zinc/42/39/30/950423930.db2.gz YPFWRUUJBBVELB-JOCQHMNTSA-N 0 1 390.513 1.729 20 0 GDADMN CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575597877 950423945 /nfs/dbraw/zinc/42/39/45/950423945.db2.gz YPFWRUUJBBVELB-JOCQHMNTSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H](CN(C)c1ncc(-c2nn[nH]n2)cc1F)NC(=O)CN1CCC(C)CC1 ZINC001576204363 950462067 /nfs/dbraw/zinc/46/20/67/950462067.db2.gz OSDRTAAVBQKPCM-CYBMUJFWSA-N 0 1 390.467 1.074 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc(Cl)ccc1F ZINC001574993959 950472175 /nfs/dbraw/zinc/47/21/75/950472175.db2.gz NWYIFGFSAUQJPM-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)c1ncccc1[O-] ZINC001575912982 950474599 /nfs/dbraw/zinc/47/45/99/950474599.db2.gz SJICUTZJRZVDQF-IUODEOHRSA-N 0 1 379.424 1.360 20 0 GDADMN CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001575605798 950480866 /nfs/dbraw/zinc/48/08/66/950480866.db2.gz UTHJUTGULWLEAW-MCIONIFRSA-N 0 1 382.472 1.853 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574509231 950500427 /nfs/dbraw/zinc/50/04/27/950500427.db2.gz TZIINESESDMTHQ-RWMBFGLXSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@H](CNC(=O)CN1CCC(C)CC1)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001576205474 950518694 /nfs/dbraw/zinc/51/86/94/950518694.db2.gz JRTVYDBAUOTVMT-CQSZACIVSA-N 0 1 389.479 1.679 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n(C)n1 ZINC001574997000 950536939 /nfs/dbraw/zinc/53/69/39/950536939.db2.gz PONVPHQHRQWRRV-NSHDSACASA-N 0 1 388.501 1.693 20 0 GDADMN CC(C)c1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n(C)n1 ZINC001574997000 950536955 /nfs/dbraw/zinc/53/69/55/950536955.db2.gz PONVPHQHRQWRRV-NSHDSACASA-N 0 1 388.501 1.693 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574754137 950563191 /nfs/dbraw/zinc/56/31/91/950563191.db2.gz YEWJPPLRLSOMOV-LBPRGKRZSA-N 0 1 378.440 1.140 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575616971 950594148 /nfs/dbraw/zinc/59/41/48/950594148.db2.gz WQZOWYXAQBQPEL-UHFFFAOYSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576208680 950618515 /nfs/dbraw/zinc/61/85/15/950618515.db2.gz SHABQDCJQTZFLI-IHRRRGAJSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576208680 950618532 /nfs/dbraw/zinc/61/85/32/950618532.db2.gz SHABQDCJQTZFLI-IHRRRGAJSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001576213431 950626109 /nfs/dbraw/zinc/62/61/09/950626109.db2.gz AAATUHKEYKWKNC-CABCVRRESA-N 0 1 387.492 1.132 20 0 GDADMN C[C@H]1CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[nH]n2)C[C@H]1O ZINC001576213788 950646086 /nfs/dbraw/zinc/64/60/86/950646086.db2.gz IFFWDAXPUJXMFS-GXSJLCMTSA-N 0 1 379.467 1.473 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575924221 950670656 /nfs/dbraw/zinc/67/06/56/950670656.db2.gz DYKOOPQKSZETGB-ZWNOBZJWSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575925724 950694026 /nfs/dbraw/zinc/69/40/26/950694026.db2.gz IEBRBFSXJAGHJO-BMIGLBTASA-N 0 1 385.378 1.677 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccncn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574761640 950700784 /nfs/dbraw/zinc/70/07/84/950700784.db2.gz UNGZHLAZGYSFDM-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575926535 950714365 /nfs/dbraw/zinc/71/43/65/950714365.db2.gz XNPJZVLXRNRURY-IAQYHMDHSA-N 0 1 382.472 1.306 20 0 GDADMN C[C@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575006229 950715918 /nfs/dbraw/zinc/71/59/18/950715918.db2.gz TUVBUYJFQYWMQY-ZDUSSCGKSA-N 0 1 380.456 1.299 20 0 GDADMN CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001573879947 950737494 /nfs/dbraw/zinc/73/74/94/950737494.db2.gz PRBWEYOTDGGGKK-LLVKDONJSA-N 0 1 382.428 1.296 20 0 GDADMN CC(C)(C)c1cc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)[nH]n1 ZINC001573880407 950746494 /nfs/dbraw/zinc/74/64/94/950746494.db2.gz ZQPSWUMDOITPKF-UHFFFAOYSA-N 0 1 381.444 1.079 20 0 GDADMN CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001573881344 950748990 /nfs/dbraw/zinc/74/89/90/950748990.db2.gz DDJPYZORGPYIHS-HNNXBMFYSA-N 0 1 392.467 1.963 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C)cn1 ZINC001575927985 950767030 /nfs/dbraw/zinc/76/70/30/950767030.db2.gz XARJDHXQQHQMKA-DOMZBBRYSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1nccs1 ZINC001575928102 950771721 /nfs/dbraw/zinc/77/17/21/950771721.db2.gz YPSSYRLNMNWIDD-DGCLKSJQSA-N 0 1 384.469 1.174 20 0 GDADMN CC(C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574184478 950785067 /nfs/dbraw/zinc/78/50/67/950785067.db2.gz LMJHFLBXPMILIZ-CRAIPNDOSA-N 0 1 392.467 1.709 20 0 GDADMN CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573885011 950809892 /nfs/dbraw/zinc/80/98/92/950809892.db2.gz QIBLEMSMWUGJOB-LLVKDONJSA-N 0 1 381.444 1.031 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575931598 950814060 /nfs/dbraw/zinc/81/40/60/950814060.db2.gz IYWVPIIRNVOGLC-SCZZXKLOSA-N 0 1 392.876 1.949 20 0 GDADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)CC(C)(C)O ZINC001575932693 950828506 /nfs/dbraw/zinc/82/85/06/950828506.db2.gz LSEFWQXAUFCTEC-YUMQZZPRSA-N 0 1 385.881 1.539 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576221338 950854476 /nfs/dbraw/zinc/85/44/76/950854476.db2.gz ZXWWEFXPXJADJS-GWCFXTLKSA-N 0 1 379.415 1.624 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576221634 950858044 /nfs/dbraw/zinc/85/80/44/950858044.db2.gz VUJZJPRTOVOMQA-CMPLNLGQSA-N 0 1 379.415 1.624 20 0 GDADMN CC1(C)C[C@H](NC(=O)[C@H]2CC23CC3)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639660 950878280 /nfs/dbraw/zinc/87/82/80/950878280.db2.gz VQNCERFLWJQIMI-CHWSQXEVSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H]1CN(C(=O)C2(C)CCCCC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576226755 950886863 /nfs/dbraw/zinc/88/68/63/950886863.db2.gz ALKFWXIWOIKIEY-UONOGXRCSA-N 0 1 384.488 1.698 20 0 GDADMN CCOC(=O)C1CCC(O)(C[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)CC1 ZINC001590208410 950887826 /nfs/dbraw/zinc/88/78/26/950887826.db2.gz LRFKEFURYZEXJW-FZTQNYJHSA-N 0 1 393.484 1.395 20 0 GDADMN CC1(C)C[C@H](NC(=O)c2ccco2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575640680 950901280 /nfs/dbraw/zinc/90/12/80/950901280.db2.gz JQBJJBPRJHAMCD-GFCCVEGCSA-N 0 1 382.428 1.675 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527706 950902035 /nfs/dbraw/zinc/90/20/35/950902035.db2.gz GCEADXDKOMGEAC-QWRGUYRKSA-N 0 1 387.469 1.716 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527706 950902048 /nfs/dbraw/zinc/90/20/48/950902048.db2.gz GCEADXDKOMGEAC-QWRGUYRKSA-N 0 1 387.469 1.716 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574527950 950912621 /nfs/dbraw/zinc/91/26/21/950912621.db2.gz IWAIHYAFJZHICF-VHSXEESVSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cn[nH]c(=O)c1 ZINC001574527950 950912632 /nfs/dbraw/zinc/91/26/32/950912632.db2.gz IWAIHYAFJZHICF-VHSXEESVSA-N 0 1 388.457 1.111 20 0 GDADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576227900 950923689 /nfs/dbraw/zinc/92/36/89/950923689.db2.gz FJLQGYZTIGXLRS-ZFWWWQNUSA-N 0 1 384.488 1.395 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574528128 950926467 /nfs/dbraw/zinc/92/64/67/950926467.db2.gz LLRTUMBWOFGXNJ-BDAKNGLRSA-N 0 1 378.437 1.477 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574528128 950926478 /nfs/dbraw/zinc/92/64/78/950926478.db2.gz LLRTUMBWOFGXNJ-BDAKNGLRSA-N 0 1 378.437 1.477 20 0 GDADMN CC(C)CCCN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[nH]n3)c1)O2 ZINC001574195022 950971471 /nfs/dbraw/zinc/97/14/71/950971471.db2.gz GESVIAMUZDAKIF-OAHLLOKOSA-N 0 1 387.488 1.594 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@]1(C)CCCOC1 ZINC001574773954 950998595 /nfs/dbraw/zinc/99/85/95/950998595.db2.gz AASDPRAUTQUIIZ-ORAYPTAESA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1csnn1 ZINC001574530871 951000211 /nfs/dbraw/zinc/00/02/11/951000211.db2.gz YEKYRTUVZMGDMN-DTWKUNHWSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1csnn1 ZINC001574530871 951000233 /nfs/dbraw/zinc/00/02/33/951000233.db2.gz YEKYRTUVZMGDMN-DTWKUNHWSA-N 0 1 378.487 1.466 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)cn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575024897 951118674 /nfs/dbraw/zinc/11/86/74/951118674.db2.gz PGQANCFPOVNWNP-LLVKDONJSA-N 0 1 387.394 1.790 20 0 GDADMN C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575031786 951204202 /nfs/dbraw/zinc/20/42/02/951204202.db2.gz IUMWUAGBLJZEFL-SECBINFHSA-N 0 1 389.370 1.244 20 0 GDADMN C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575032009 951211825 /nfs/dbraw/zinc/21/18/25/951211825.db2.gz OBURJKTZQAGBLE-LLVKDONJSA-N 0 1 379.428 1.184 20 0 GDADMN C[C@H](CNC(=O)c1ccnn1C1CCCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001575034630 951254386 /nfs/dbraw/zinc/25/43/86/951254386.db2.gz OZKRMUOTLZRBKV-GFCCVEGCSA-N 0 1 381.444 1.226 20 0 GDADMN C[C@H](CNC(=O)c1occ2c1CCOC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067258 951606820 /nfs/dbraw/zinc/60/68/20/951606820.db2.gz POWQGIVBJAEVPT-LLVKDONJSA-N 0 1 383.412 1.182 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC001595074224 951627563 /nfs/dbraw/zinc/62/75/63/951627563.db2.gz OQARSLGZHQCDJX-GJZGRUSLSA-N 0 1 375.473 1.717 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC001595074224 951627572 /nfs/dbraw/zinc/62/75/72/951627572.db2.gz OQARSLGZHQCDJX-GJZGRUSLSA-N 0 1 375.473 1.717 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CC1(O)CCC1 ZINC001575090662 951761403 /nfs/dbraw/zinc/76/14/03/951761403.db2.gz NBRBNGPEVMPSLQ-GFCCVEGCSA-N 0 1 376.436 1.247 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccsn1 ZINC001575091239 951771673 /nfs/dbraw/zinc/77/16/73/951771673.db2.gz QHARLFIWIUXZOF-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cnn(C)c1 ZINC001575098758 951826154 /nfs/dbraw/zinc/82/61/54/951826154.db2.gz GHZCGCAUQPMCQE-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cnn(C)c1 ZINC001575098758 951826157 /nfs/dbraw/zinc/82/61/57/951826157.db2.gz GHZCGCAUQPMCQE-LBPRGKRZSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)c1nsc(CNC[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001575116559 951972485 /nfs/dbraw/zinc/97/24/85/951972485.db2.gz FDCVTAXAEXOMPF-JTQLQIEISA-N 0 1 389.489 1.325 20 0 GDADMN C[C@@H](CNCc1ncc(Cl)s1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117799 951982586 /nfs/dbraw/zinc/98/25/86/951982586.db2.gz PVZGXNILNZXHNM-QMMMGPOBSA-N 0 1 380.865 1.460 20 0 GDADMN C[C@H](CNCc1nc2c(o1)CCCC2)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575118235 951984516 /nfs/dbraw/zinc/98/45/16/951984516.db2.gz RIEWTPDCWXIJMC-LLVKDONJSA-N 0 1 384.444 1.217 20 0 GDADMN CC(C)c1nnc(CNC[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)s1 ZINC001575119660 951990496 /nfs/dbraw/zinc/99/04/96/951990496.db2.gz ZYRGTQIAOFMFIV-SNVBAGLBSA-N 0 1 389.489 1.325 20 0 GDADMN O=C([O-])CS(=O)(=O)CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001595123869 951992640 /nfs/dbraw/zinc/99/26/40/951992640.db2.gz GMWGEPZOJJFMMZ-CYBMUJFWSA-N 0 1 375.874 1.930 20 0 GDADMN O=C([O-])CS(=O)(=O)CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC001595123869 951992643 /nfs/dbraw/zinc/99/26/43/951992643.db2.gz GMWGEPZOJJFMMZ-CYBMUJFWSA-N 0 1 375.874 1.930 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575143931 952159966 /nfs/dbraw/zinc/15/99/66/952159966.db2.gz DTCQOQFWXLLLJO-IFXJQAMLSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575145065 952176846 /nfs/dbraw/zinc/17/68/46/952176846.db2.gz OZRDQMBZUWKZKE-HNNXBMFYSA-N 0 1 383.378 1.723 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575146381 952192930 /nfs/dbraw/zinc/19/29/30/952192930.db2.gz JUSLFKJNANCAPG-QMMMGPOBSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c(F)ccc(F)c1F ZINC001575147444 952200310 /nfs/dbraw/zinc/20/03/10/952200310.db2.gz UATBFASOFQHFBS-SECBINFHSA-N 0 1 391.357 1.674 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)Cc1cnoc1 ZINC001575164997 952302009 /nfs/dbraw/zinc/30/20/09/952302009.db2.gz JDNSULOOWGKZHT-SSDOTTSWSA-N 0 1 382.837 1.466 20 0 GDADMN C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001575189378 952456295 /nfs/dbraw/zinc/45/62/95/952456295.db2.gz PDEDIKGXSTXXPZ-ZDUSSCGKSA-N 0 1 383.431 1.572 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575197790 952486951 /nfs/dbraw/zinc/48/69/51/952486951.db2.gz ZSZICRCIXUSFAR-QWHCGFSZSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575201119 952500322 /nfs/dbraw/zinc/50/03/22/952500322.db2.gz HEEDDXXASOVOQC-CYBMUJFWSA-N 0 1 380.456 1.111 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1CC(Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575201783 952507228 /nfs/dbraw/zinc/50/72/28/952507228.db2.gz QKWPWYJANWZMAG-DCBWTQNWSA-N 0 1 381.444 1.170 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C1CC(F)(F)C1 ZINC001571121124 952514027 /nfs/dbraw/zinc/51/40/27/952514027.db2.gz WUUWGYJKTQDKSS-HNNXBMFYSA-N 0 1 376.411 1.993 20 0 GDADMN Cc1cc(N2CCN(C(=O)C3(C)CC(F)(F)C3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124449 952539002 /nfs/dbraw/zinc/53/90/02/952539002.db2.gz JFMPSHRUANQKRD-UHFFFAOYSA-N 0 1 377.399 1.654 20 0 GDADMN Cc1cc(N2CCC(NC(=O)[C@@H]3CCC3(F)F)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124736 952544163 /nfs/dbraw/zinc/54/41/63/952544163.db2.gz SLZIHNFUNWWTLT-ZDUSSCGKSA-N 0 1 377.399 1.700 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001575214192 952562579 /nfs/dbraw/zinc/56/25/79/952562579.db2.gz KLFVWRFCNNSBMP-UOJUARBOSA-N 0 1 391.426 1.742 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575215005 952567901 /nfs/dbraw/zinc/56/79/01/952567901.db2.gz RMTFKXHGKGUPGV-SNVBAGLBSA-N 0 1 380.403 1.067 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3cc4c([nH]3)CCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134176 952587328 /nfs/dbraw/zinc/58/73/28/952587328.db2.gz BOTXIKZLTPPDDM-CYBMUJFWSA-N 0 1 378.440 1.396 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571134219 952587626 /nfs/dbraw/zinc/58/76/26/952587626.db2.gz CBWXZUPSWFQSKJ-HIFRSBDPSA-N 0 1 378.440 1.285 20 0 GDADMN Cc1cccnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001571134179 952587757 /nfs/dbraw/zinc/58/77/57/952587757.db2.gz GAJBQRPZJUZANK-KEYYUXOJSA-N 0 1 378.440 1.434 20 0 GDADMN CCc1ccccc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571134989 952598506 /nfs/dbraw/zinc/59/85/06/952598506.db2.gz OIVZYLKOAQNBJV-SWLSCSKDSA-N 0 1 378.440 1.214 20 0 GDADMN Cc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135454 952603505 /nfs/dbraw/zinc/60/35/05/952603505.db2.gz XWDVDAYOIZGRQH-OAHLLOKOSA-N 0 1 378.440 1.293 20 0 GDADMN COc1cccnc1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571140160 952623338 /nfs/dbraw/zinc/62/33/38/952623338.db2.gz AHXSPTWSPFBTMK-UHFFFAOYSA-N 0 1 379.424 1.132 20 0 GDADMN O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1ncccc1[O-] ZINC001571140388 952625625 /nfs/dbraw/zinc/62/56/25/952625625.db2.gz BXQPETJDBZRTBH-OAHLLOKOSA-N 0 1 379.424 1.362 20 0 GDADMN O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)c1ncccc1[O-] ZINC001571140388 952625629 /nfs/dbraw/zinc/62/56/29/952625629.db2.gz BXQPETJDBZRTBH-OAHLLOKOSA-N 0 1 379.424 1.362 20 0 GDADMN O=C(NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)c1cnc(C2CC2)o1 ZINC001571142382 952640784 /nfs/dbraw/zinc/64/07/84/952640784.db2.gz SPFWXSGDWCLBAM-UHFFFAOYSA-N 0 1 379.424 1.594 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccc[nH]2)CCN1c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571142784 952645738 /nfs/dbraw/zinc/64/57/38/952645738.db2.gz YMOMIESMTYMJDO-SFYZADRCSA-N 0 1 378.849 1.702 20 0 GDADMN O=C(c1ccn[nH]1)N1CCC[C@@]2(CCN(c3ccc(-c4nn[nH]n4)nc3)C2)C1 ZINC001571147293 952659408 /nfs/dbraw/zinc/65/94/08/952659408.db2.gz WQZHZFVISWDAPF-SFHVURJKSA-N 0 1 379.428 1.118 20 0 GDADMN CCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)[nH+]cc2-c2nnn[n-]2)no1 ZINC001571155688 952698852 /nfs/dbraw/zinc/69/88/52/952698852.db2.gz XRIFWFPSWVITCC-RYUDHWBXSA-N 0 1 380.412 1.224 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)CC2)cnn1 ZINC001571158939 952716018 /nfs/dbraw/zinc/71/60/18/952716018.db2.gz UYOCMZKIIQDLLL-CQSZACIVSA-N 0 1 379.428 1.149 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3coc(C4CC4)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159274 952717941 /nfs/dbraw/zinc/71/79/41/952717941.db2.gz SPNIVBWBVAGFOC-GFCCVEGCSA-N 0 1 380.412 1.444 20 0 GDADMN O=C(Cc1ccoc1)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571160033 952723359 /nfs/dbraw/zinc/72/33/59/952723359.db2.gz BKMLXZIZPDRXKF-AGUYFDCRSA-N 0 1 380.412 1.108 20 0 GDADMN C[C@@H]1CC[C@H](NC(=O)c2cnn(C)c2)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571165928 952755832 /nfs/dbraw/zinc/75/58/32/952755832.db2.gz JAUJIVKQTLNLRE-DYVFJYSZSA-N 0 1 380.456 1.383 20 0 GDADMN Cc1cnn(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571169463 952773699 /nfs/dbraw/zinc/77/36/99/952773699.db2.gz DFEVJPOTYYGKCM-INIZCTEOSA-N 0 1 380.456 1.105 20 0 GDADMN O=C(C1=CCCC1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571171721 952796284 /nfs/dbraw/zinc/79/62/84/952796284.db2.gz DZJUOLUMBVWKQV-LSDHHAIUSA-N 0 1 380.456 1.584 20 0 GDADMN O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172270 952804015 /nfs/dbraw/zinc/80/40/15/952804015.db2.gz RLSFYUDUFSJKLV-DGAVXFQQSA-N 0 1 380.456 1.178 20 0 GDADMN CCc1oncc1C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182657 952867122 /nfs/dbraw/zinc/86/71/22/952867122.db2.gz ARUCTTGIWJKLLY-CQSZACIVSA-N 0 1 381.440 1.812 20 0 GDADMN COc1cccc([C@@H](C)N2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571182651 952867663 /nfs/dbraw/zinc/86/76/63/952867663.db2.gz AJAFQYHASDPECU-DOMZBBRYSA-N 0 1 381.440 1.769 20 0 GDADMN CCc1ocnc1C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571182714 952867772 /nfs/dbraw/zinc/86/77/72/952867772.db2.gz CLKQJMSPERHROJ-CQSZACIVSA-N 0 1 381.440 1.812 20 0 GDADMN COc1ccc(CN2CC[C@H](NC(=O)c3[nH]ccc3C)C2)cc1-c1nn[nH]n1 ZINC001571182756 952868840 /nfs/dbraw/zinc/86/88/40/952868840.db2.gz DSIUICXOAWSMGB-AWEZNQCLSA-N 0 1 381.440 1.516 20 0 GDADMN O=C(c1cncc(F)c1)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571183229 952875580 /nfs/dbraw/zinc/87/55/80/952875580.db2.gz TZNJNSXHYYCQDT-UHFFFAOYSA-N 0 1 381.415 1.749 20 0 GDADMN C[C@H](N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)c1ncccn1 ZINC001571183851 952884316 /nfs/dbraw/zinc/88/43/16/952884316.db2.gz KWNNUQHWHLONSM-SGMGOOAPSA-N 0 1 381.444 1.234 20 0 GDADMN CCc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571184084 952888136 /nfs/dbraw/zinc/88/81/36/952888136.db2.gz PYJVGGCKASVKBV-BXUZGUMPSA-N 0 1 381.444 1.335 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)c(C)[nH]1 ZINC001571187681 952908946 /nfs/dbraw/zinc/90/89/46/952908946.db2.gz AOHWBJLDGRZKFK-CYBMUJFWSA-N 0 1 381.444 1.246 20 0 GDADMN Cc1n[nH]cc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001571187942 952911259 /nfs/dbraw/zinc/91/12/59/952911259.db2.gz DDOZGDAPUIQWES-DGCLKSJQSA-N 0 1 381.444 1.129 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571189654 952931919 /nfs/dbraw/zinc/93/19/19/952931919.db2.gz ZPXYCZGGXALNAP-AAEUAGOBSA-N 0 1 381.444 1.389 20 0 GDADMN Cc1ncc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189879 952935884 /nfs/dbraw/zinc/93/58/84/952935884.db2.gz YGSGHQWXXDHZFC-WCQYABFASA-N 0 1 381.444 1.328 20 0 GDADMN Cc1cc(N[C@@H]2CCCN(C(=O)c3cncc(F)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571196487 952981247 /nfs/dbraw/zinc/98/12/47/952981247.db2.gz LAFUKXSSLMCMAN-CQSZACIVSA-N 0 1 382.403 1.243 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)cnn1 ZINC001571196762 952983465 /nfs/dbraw/zinc/98/34/65/952983465.db2.gz NPQGVZJAKLWTQZ-OAHLLOKOSA-N 0 1 382.403 1.109 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571199718 953004086 /nfs/dbraw/zinc/00/40/86/953004086.db2.gz AAXVYKQRRHMUCP-MLGOLLRUSA-N 0 1 382.428 1.415 20 0 GDADMN O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001571200506 953009721 /nfs/dbraw/zinc/00/97/21/953009721.db2.gz JFQKDIWWAJQPHE-NWDGAFQWSA-N 0 1 382.403 1.228 20 0 GDADMN Cc1cnc(CN2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)CC[C@H]32)o1 ZINC001571201300 953016205 /nfs/dbraw/zinc/01/62/05/953016205.db2.gz JUBKJDNFOLCRKW-SWLSCSKDSA-N 0 1 382.428 1.228 20 0 GDADMN Cc1cnoc1C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571202535 953026632 /nfs/dbraw/zinc/02/66/32/953026632.db2.gz UPCLSPIBFVUXFB-OLZOCXBDSA-N 0 1 382.428 1.190 20 0 GDADMN Cc1nocc1C(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202769 953028548 /nfs/dbraw/zinc/02/85/48/953028548.db2.gz YIMIKRNTSIOXMN-CYBMUJFWSA-N 0 1 382.428 1.608 20 0 GDADMN COc1nc(C(=O)N[C@]2(C)CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571220166 953129664 /nfs/dbraw/zinc/12/96/64/953129664.db2.gz YAXKTWHLOPOTKI-GOSISDBHSA-N 0 1 383.412 1.258 20 0 GDADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)Cc1cccnc1 ZINC001571233812 953196108 /nfs/dbraw/zinc/19/61/08/953196108.db2.gz FBPZEEVCHIUPKD-IUODEOHRSA-N 0 1 383.481 1.502 20 0 GDADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)Cc1cccnc1 ZINC001571233812 953196111 /nfs/dbraw/zinc/19/61/11/953196111.db2.gz FBPZEEVCHIUPKD-IUODEOHRSA-N 0 1 383.481 1.502 20 0 GDADMN Cc1ncc(C(=O)N(C)[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)s1 ZINC001571233799 953196217 /nfs/dbraw/zinc/19/62/17/953196217.db2.gz DKZBDBMTWBUJQR-HNNXBMFYSA-N 0 1 383.481 1.978 20 0 GDADMN O=C(Nc1c[nH]nc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001571235385 953212149 /nfs/dbraw/zinc/21/21/49/953212149.db2.gz CAMRVCOYHZSACX-NSHDSACASA-N 0 1 384.375 1.220 20 0 GDADMN CCC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2cncs2)CC1 ZINC001571244797 953267353 /nfs/dbraw/zinc/26/73/53/953267353.db2.gz IZJZRABBETURGO-UHFFFAOYSA-N 0 1 384.469 1.637 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245853 953278010 /nfs/dbraw/zinc/27/80/10/953278010.db2.gz NFMVIMHIKBKJDV-VXGBXAGGSA-N 0 1 384.469 1.350 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cnsn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571245910 953278694 /nfs/dbraw/zinc/27/86/94/953278694.db2.gz OLAVLLIPJFUFCX-BXUZGUMPSA-N 0 1 384.469 1.501 20 0 GDADMN CC1(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCOCC1 ZINC001571247627 953284212 /nfs/dbraw/zinc/28/42/12/953284212.db2.gz BFIAPIRZCQCGSC-QGZVFWFLSA-N 0 1 384.484 1.764 20 0 GDADMN O=C(N[C@@H]1C[C@@H](NCc2cscn2)C12CCC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571247674 953284527 /nfs/dbraw/zinc/28/45/27/953284527.db2.gz BXNYMCPWRGIHLC-ZIAGYGMSSA-N 0 1 384.469 1.482 20 0 GDADMN O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nnn[n-]3)s1)C2)c1ncc[nH]1 ZINC001571248215 953291004 /nfs/dbraw/zinc/29/10/04/953291004.db2.gz NMGMMXBPLUNABO-UHFFFAOYSA-N 0 1 384.469 1.482 20 0 GDADMN O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[n-]n3)s1)C2)c1ncc[nH]1 ZINC001571248215 953291008 /nfs/dbraw/zinc/29/10/08/953291008.db2.gz NMGMMXBPLUNABO-UHFFFAOYSA-N 0 1 384.469 1.482 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccsc1 ZINC001571248253 953291544 /nfs/dbraw/zinc/29/15/44/953291544.db2.gz OPJQWTJFFTXWDC-AULYBMBSSA-N 0 1 384.469 1.541 20 0 GDADMN Cc1sccc1CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571248376 953292308 /nfs/dbraw/zinc/29/23/08/953292308.db2.gz RWYXOTKGOLVCIF-ZDUSSCGKSA-N 0 1 384.469 1.094 20 0 GDADMN O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nnn[n-]3)s1)C2)c1cn[nH]c1 ZINC001571248501 953294747 /nfs/dbraw/zinc/29/47/47/953294747.db2.gz VZQBQWAWYYQCPS-UHFFFAOYSA-N 0 1 384.469 1.482 20 0 GDADMN O=C(NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[n-]n3)s1)C2)c1cn[nH]c1 ZINC001571248501 953294749 /nfs/dbraw/zinc/29/47/49/953294749.db2.gz VZQBQWAWYYQCPS-UHFFFAOYSA-N 0 1 384.469 1.482 20 0 GDADMN Cc1ncsc1C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571248639 953295723 /nfs/dbraw/zinc/29/57/23/953295723.db2.gz WUDIYXUQMIZYJC-GFCCVEGCSA-N 0 1 384.469 1.673 20 0 GDADMN C[C@H]1CN(C(=O)CC2CCCCCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571249079 953300292 /nfs/dbraw/zinc/30/02/92/953300292.db2.gz CPNBDTLOLNGVMJ-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN CC1(C)CCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571249167 953301423 /nfs/dbraw/zinc/30/14/23/953301423.db2.gz FDVNQMVHYJVOBI-KGLIPLIRSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571249265 953302914 /nfs/dbraw/zinc/30/29/14/953302914.db2.gz GYZIBBAEEJHAPC-LIRRHRJNSA-N 0 1 384.488 1.766 20 0 GDADMN CN1CCC[C@@H]1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571251823 953320685 /nfs/dbraw/zinc/32/06/85/953320685.db2.gz ANNPZIAGHXGXOY-JKSUJKDBSA-N 0 1 384.488 1.539 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](N(C)C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001571252010 953321803 /nfs/dbraw/zinc/32/18/03/953321803.db2.gz FBFJEFMIUAGSSY-ZBFHGGJFSA-N 0 1 384.488 1.092 20 0 GDADMN C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571251961 953322098 /nfs/dbraw/zinc/32/20/98/953322098.db2.gz CUSWMPHUWONDAH-PBHICJAKSA-N 0 1 384.488 1.397 20 0 GDADMN C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571251961 953322102 /nfs/dbraw/zinc/32/21/02/953322102.db2.gz CUSWMPHUWONDAH-PBHICJAKSA-N 0 1 384.488 1.397 20 0 GDADMN Cc1nc(N[C@@H]2CN(C(=O)[C@H]3CCCCN3C)C[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571252140 953324066 /nfs/dbraw/zinc/32/40/66/953324066.db2.gz IGAYGRYJEVRXKA-DAXOMENPSA-N 0 1 384.488 1.313 20 0 GDADMN CN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571252257 953326401 /nfs/dbraw/zinc/32/64/01/953326401.db2.gz JASBUEIZRSJRLF-CVEARBPZSA-N 0 1 384.488 1.539 20 0 GDADMN CN(C[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571252286 953326607 /nfs/dbraw/zinc/32/66/07/953326607.db2.gz JSZZLTIDFQPQIF-CYBMUJFWSA-N 0 1 384.488 1.768 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ncc(F)cc1F ZINC001571255089 953345262 /nfs/dbraw/zinc/34/52/62/953345262.db2.gz HVLVXCJHOUYXKY-AWEZNQCLSA-N 0 1 385.378 1.544 20 0 GDADMN COc1cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[nH]n2)ccc1-c1nn[nH]n1 ZINC001571255316 953347684 /nfs/dbraw/zinc/34/76/84/953347684.db2.gz HWRKETTTYHGFNV-UHFFFAOYSA-N 0 1 385.384 1.806 20 0 GDADMN C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1ccc(F)cc1 ZINC000563535499 953600464 /nfs/dbraw/zinc/60/04/64/953600464.db2.gz XQFVEQVIORNSNK-YDHLFZDLSA-N 0 1 379.432 1.304 20 0 GDADMN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000567989515 953642976 /nfs/dbraw/zinc/64/29/76/953642976.db2.gz JHNNTXDYKWNICT-ZDUSSCGKSA-N 0 1 388.424 1.640 20 0 GDADMN C[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000626744849 953798072 /nfs/dbraw/zinc/79/80/72/953798072.db2.gz BOIYNFHVEQHLFC-LMMKCTJWSA-N 0 1 388.512 1.949 20 0 GDADMN COc1ccc(CN2CCN(C(=O)C[N@H+]3CC[C@H](C(=O)[O-])[C@H](C)C3)CC2)cc1 ZINC000629494535 953823486 /nfs/dbraw/zinc/82/34/86/953823486.db2.gz BJKJZGZCRYPJJI-APWZRJJASA-N 0 1 389.496 1.382 20 0 GDADMN COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000635505778 953882293 /nfs/dbraw/zinc/88/22/93/953882293.db2.gz FODLMLVRRBFAPL-SCLBCKFNSA-N 0 1 381.498 1.627 20 0 GDADMN COC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000635505778 953882306 /nfs/dbraw/zinc/88/23/06/953882306.db2.gz FODLMLVRRBFAPL-SCLBCKFNSA-N 0 1 381.498 1.627 20 0 GDADMN C[NH+](C)C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001593695896 954074590 /nfs/dbraw/zinc/07/45/90/954074590.db2.gz UOHCNUZRFFNMMF-HNNXBMFYSA-N 0 1 389.905 1.574 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1=O ZINC000655578740 954216811 /nfs/dbraw/zinc/21/68/11/954216811.db2.gz FMCNKKSCLJINDL-OVYGPGRDSA-N 0 1 393.528 1.571 20 0 GDADMN CC(C)[C@@H](CNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)C(=O)[O-] ZINC000655892136 954272588 /nfs/dbraw/zinc/27/25/88/954272588.db2.gz PFTOPENMOMIAQG-LJQANCHMSA-N 0 1 390.528 1.802 20 0 GDADMN CCC(CC)(CNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)C(=O)[O-] ZINC000659409737 954333089 /nfs/dbraw/zinc/33/30/89/954333089.db2.gz SJYNTLLTPMPGLQ-SFHVURJKSA-N 0 1 390.528 1.993 20 0 GDADMN CCC(CC)(CNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)C(=O)[O-] ZINC000659409737 954333101 /nfs/dbraw/zinc/33/31/01/954333101.db2.gz SJYNTLLTPMPGLQ-SFHVURJKSA-N 0 1 390.528 1.993 20 0 GDADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000659422749 954347850 /nfs/dbraw/zinc/34/78/50/954347850.db2.gz GTSGFHRIFTZDNE-NEWSRXKRSA-N 0 1 388.512 1.555 20 0 GDADMN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000659422749 954347860 /nfs/dbraw/zinc/34/78/60/954347860.db2.gz GTSGFHRIFTZDNE-NEWSRXKRSA-N 0 1 388.512 1.555 20 0 GDADMN CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1)[NH+]1CCOCC1 ZINC001602984309 972009208 /nfs/dbraw/zinc/00/92/08/972009208.db2.gz VVWKLNGHDIZXNX-YJTLQXIOSA-N 0 1 383.489 1.055 20 0 GDADMN CCC[N@@H+]([C@H]1CCN(CC(=O)[O-])C1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662205339 954378696 /nfs/dbraw/zinc/37/86/96/954378696.db2.gz XRPJIZSEUQBWKE-SFHVURJKSA-N 0 1 387.480 1.689 20 0 GDADMN O=C([O-])[C@@H]1C[N@H+](CC(=O)NCCN2CCc3ccccc32)Cc2ccccc21 ZINC000662222346 954393876 /nfs/dbraw/zinc/39/38/76/954393876.db2.gz IYDHYYQKLIHSRY-LJQANCHMSA-N 0 1 379.460 1.849 20 0 GDADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)NCCN2CCc3ccccc32)Cc2ccccc21 ZINC000662222346 954393887 /nfs/dbraw/zinc/39/38/87/954393887.db2.gz IYDHYYQKLIHSRY-LJQANCHMSA-N 0 1 379.460 1.849 20 0 GDADMN 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O=C(Cc1cccc(I)c1)NC[C@H]1CN2CCN1CCC2 ZINC000619873747 531720125 /nfs/dbraw/zinc/72/01/25/531720125.db2.gz ULHZRYTWINMMQP-HNNXBMFYSA-N 0 1 399.276 1.340 20 0 GDADMN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)N(C)C)cc1F ZINC000451941326 531721335 /nfs/dbraw/zinc/72/13/35/531721335.db2.gz ZVZZYTVXQYZSEP-NSHDSACASA-N 0 1 381.495 1.206 20 0 GDADMN CS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cs1 ZINC000506363972 531737064 /nfs/dbraw/zinc/73/70/64/531737064.db2.gz QGDBIKUNNLMAII-ZDUSSCGKSA-N 0 1 376.463 1.984 20 0 GDADMN O=C(NCc1cc[nH]n1)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000591768458 531738800 /nfs/dbraw/zinc/73/88/00/531738800.db2.gz LKLQEBRNYIYOFK-UHFFFAOYSA-N 0 1 376.218 1.957 20 0 GDADMN O=C(NCc1cc[nH]n1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000591768458 531738810 /nfs/dbraw/zinc/73/88/10/531738810.db2.gz LKLQEBRNYIYOFK-UHFFFAOYSA-N 0 1 376.218 1.957 20 0 GDADMN CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc3cncn3c2)s1 ZINC000297013144 531748638 /nfs/dbraw/zinc/74/86/38/531748638.db2.gz 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531750159 /nfs/dbraw/zinc/75/01/59/531750159.db2.gz FAWKEPPQCKGCJA-NSHDSACASA-N 0 1 384.234 1.246 20 0 GDADMN COCc1nnc(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)[nH]1 ZINC000666115302 531750164 /nfs/dbraw/zinc/75/01/64/531750164.db2.gz FAWKEPPQCKGCJA-NSHDSACASA-N 0 1 384.234 1.246 20 0 GDADMN CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)[C@@H]1SC ZINC000592174371 531768890 /nfs/dbraw/zinc/76/88/90/531768890.db2.gz RFUBDFQTYBONPZ-MEWXFMAXSA-N 0 1 386.539 1.916 20 0 GDADMN CN1CCN(CCNS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000282603034 531775700 /nfs/dbraw/zinc/77/57/00/531775700.db2.gz MKSXOGVKOXWNPT-UHFFFAOYSA-N 0 1 380.283 1.114 20 0 GDADMN O=C(COc1cccc(I)c1)NCc1n[nH]c(C2CC2)n1 ZINC000452431135 531777857 /nfs/dbraw/zinc/77/78/57/531777857.db2.gz POZPVRHKIXDYHV-UHFFFAOYSA-N 0 1 398.204 1.982 20 0 GDADMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623020810 531792466 /nfs/dbraw/zinc/79/24/66/531792466.db2.gz VGEABEPWPVGOCZ-IINYFYTJSA-N 0 1 391.273 1.637 20 0 GDADMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1-n1cnnn1 ZINC000623020326 531793184 /nfs/dbraw/zinc/79/31/84/531793184.db2.gz GNDYEZGRQDKKIR-LBPRGKRZSA-N 0 1 388.229 1.955 20 0 GDADMN O=S(=O)(CCNCc1ccc2c(c1)OC(F)(F)O2)N1CCSCC1 ZINC000562966149 531793405 /nfs/dbraw/zinc/79/34/05/531793405.db2.gz MMZOZVDUMMAPQN-UHFFFAOYSA-N 0 1 380.438 1.476 20 0 GDADMN C[C@@H](O)CN1CCN(Cc2ccc(F)cc2I)CC1 ZINC000418025315 531799301 /nfs/dbraw/zinc/79/93/01/531799301.db2.gz UYQYAWBRNOEDGX-LLVKDONJSA-N 0 1 378.229 1.929 20 0 GDADMN CO[C@@H]1COC[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000563051218 531799765 /nfs/dbraw/zinc/79/97/65/531799765.db2.gz IHHJTTQPEXZRJW-NWDGAFQWSA-N 0 1 396.245 1.447 20 0 GDADMN CO[C@@H]1COC[C@@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000563051218 531799773 /nfs/dbraw/zinc/79/97/73/531799773.db2.gz IHHJTTQPEXZRJW-NWDGAFQWSA-N 0 1 396.245 1.447 20 0 GDADMN Cc1ccc2c(c1Br)CN(C(=O)C(=O)N[C@H]1CCN(C3CC3)C1)C2 ZINC000668671005 531803533 /nfs/dbraw/zinc/80/35/33/531803533.db2.gz 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/nfs/dbraw/zinc/81/30/32/531813032.db2.gz XORKYKCWYSXVED-TZMCWYRMSA-N 0 1 378.263 1.715 20 0 GDADMN O=C(NCc1c[nH]nn1)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000669451482 531814573 /nfs/dbraw/zinc/81/45/73/531814573.db2.gz LPYNZIDKXPFNAV-UHFFFAOYSA-N 0 1 399.224 1.865 20 0 GDADMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453380349 531815428 /nfs/dbraw/zinc/81/54/28/531815428.db2.gz ZJIOLJBCXBRMMA-OASPWFOLSA-N 0 1 393.303 1.551 20 0 GDADMN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000283032852 531822766 /nfs/dbraw/zinc/82/27/66/531822766.db2.gz GDLFNKBHQAELAW-LBPRGKRZSA-N 0 1 385.467 1.178 20 0 GDADMN C[N-]S(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)co1 ZINC000270040640 531825824 /nfs/dbraw/zinc/82/58/24/531825824.db2.gz OAXJTYJXMXOHND-UHFFFAOYSA-N 0 1 387.527 1.279 20 0 GDADMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000283079513 531827204 /nfs/dbraw/zinc/82/72/04/531827204.db2.gz QHCDAFBLZNEBBT-ZDUSSCGKSA-N 0 1 385.255 1.387 20 0 GDADMN C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cnc[nH]2)[C@@H](C)[C@H]1C ZINC000563427962 531836042 /nfs/dbraw/zinc/83/60/42/531836042.db2.gz MTKZYSBABOVOLW-AGIUHOORSA-N 0 1 378.520 1.238 20 0 GDADMN CN(Cc1ccccc1Br)C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000297879010 531830333 /nfs/dbraw/zinc/83/03/33/531830333.db2.gz OHIHTSSZXNAFAZ-HNNXBMFYSA-N 0 1 392.297 1.880 20 0 GDADMN O=C(Nc1cc(Cl)cc(F)c1F)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000453824547 531830838 /nfs/dbraw/zinc/83/08/38/531830838.db2.gz UCNYGDJXLJHMSB-NSHDSACASA-N 0 1 375.803 1.520 20 0 GDADMN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCCN2CCO)c1Br ZINC000453827397 531830940 /nfs/dbraw/zinc/83/09/40/531830940.db2.gz XLFBQMNSRHJHSB-ZDUSSCGKSA-N 0 1 398.301 1.659 20 0 GDADMN C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(F)c(Br)c2)C[C@H](C)N1 ZINC000418839684 531850235 /nfs/dbraw/zinc/85/02/35/531850235.db2.gz AUJPBUPCEDZVPQ-PHIMTYICSA-N 0 1 386.265 1.456 20 0 GDADMN CC1(C)CN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCN1 ZINC000418837948 531850398 /nfs/dbraw/zinc/85/03/98/531850398.db2.gz UJSFFVJJRPPOPO-UONOGXRCSA-N 0 1 380.286 1.632 20 0 GDADMN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C(=O)N1CCNCC1 ZINC000418837428 531850809 /nfs/dbraw/zinc/85/08/09/531850809.db2.gz WBRIVYTUFUWGGT-HAQNSBGRSA-N 0 1 384.249 1.382 20 0 GDADMN O=C(NCc1n[nH]c(C2CC2)n1)N[C@H](CO)c1cccc(Br)c1 ZINC000298026939 531843078 /nfs/dbraw/zinc/84/30/78/531843078.db2.gz GHWPFPNIJJUZPL-GFCCVEGCSA-N 0 1 380.246 1.977 20 0 GDADMN C[C@@H]1CN(C(=O)C(=O)NCCOc2cccc(Br)c2)[C@H](C)CN1 ZINC000418931844 531866279 /nfs/dbraw/zinc/86/62/79/531866279.db2.gz CQAMJZKCAHCRRU-VXGBXAGGSA-N 0 1 384.274 1.153 20 0 GDADMN COCCOc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC000642317146 531857042 /nfs/dbraw/zinc/85/70/42/531857042.db2.gz UONRPWWBNJYWHV-UHFFFAOYSA-N 0 1 385.463 1.916 20 0 GDADMN N[C@@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)CC[C@H]1F ZINC000595241551 531871683 /nfs/dbraw/zinc/87/16/83/531871683.db2.gz ANRWOXWHOOYXRL-GHMZBOCLSA-N 0 1 391.184 1.127 20 0 GDADMN 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/nfs/dbraw/zinc/47/41/26/606474126.db2.gz TUUQFCZADMAOOI-NXEZZACHSA-N 0 1 375.462 1.059 20 0 GDADMN CS(=O)(=O)Cc1ccccc1CNCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000821932330 606480554 /nfs/dbraw/zinc/48/05/54/606480554.db2.gz KOMZXXARECTNHC-UHFFFAOYSA-N 0 1 397.464 1.349 20 0 GDADMN CC(=O)NC[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000819802475 606484633 /nfs/dbraw/zinc/48/46/33/606484633.db2.gz COYDMDJVJRJVGI-GFCCVEGCSA-N 0 1 380.399 1.816 20 0 GDADMN C[C@H](OC(=O)CCc1nc[nH]n1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820498053 606761847 /nfs/dbraw/zinc/76/18/47/606761847.db2.gz YPKYUWRINLPUJL-QMMMGPOBSA-N 0 1 390.791 1.141 20 0 GDADMN Cc1sc(NC(=O)CN2CCC[C@@H]3COCC[C@H]32)c(-c2nn[nH]n2)c1C ZINC000822559229 606774152 /nfs/dbraw/zinc/77/41/52/606774152.db2.gz YXRMZNKBVVWMHY-CHWSQXEVSA-N 0 1 376.486 1.984 20 0 GDADMN CC[C@H]1CC[C@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)O1 ZINC000820972968 606775176 /nfs/dbraw/zinc/77/51/76/606775176.db2.gz SHPZMADWFLEDTL-ZWKOTPCHSA-N 0 1 384.484 1.859 20 0 GDADMN COCCC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000821685203 606784899 /nfs/dbraw/zinc/78/48/99/606784899.db2.gz XDPOSLVNDBNMTE-UHFFFAOYSA-N 0 1 392.213 1.550 20 0 GDADMN O=S(=O)(NCCOCC(F)(F)F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823579065 606885268 /nfs/dbraw/zinc/88/52/68/606885268.db2.gz ZPTAKVUYYUOWRE-UHFFFAOYSA-N 0 1 387.290 1.002 20 0 GDADMN CO[C@]1(C)C[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1(C)C ZINC000821677996 606894476 /nfs/dbraw/zinc/89/44/76/606894476.db2.gz HYMWNPFYODIHLK-XHDPSFHLSA-N 0 1 387.412 1.627 20 0 GDADMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000821505851 607065958 /nfs/dbraw/zinc/06/59/58/607065958.db2.gz UKAOXEGZUSGTDB-FZMZJTMJSA-N 0 1 397.443 1.391 20 0 GDADMN C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821621914 607125876 /nfs/dbraw/zinc/12/58/76/607125876.db2.gz LCTQYTCMONSZIE-QMMMGPOBSA-N 0 1 378.853 1.005 20 0 GDADMN C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821621914 607125877 /nfs/dbraw/zinc/12/58/77/607125877.db2.gz LCTQYTCMONSZIE-QMMMGPOBSA-N 0 1 378.853 1.005 20 0 GDADMN C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821621914 607125878 /nfs/dbraw/zinc/12/58/78/607125878.db2.gz LCTQYTCMONSZIE-QMMMGPOBSA-N 0 1 378.853 1.005 20 0 GDADMN C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821621914 607125879 /nfs/dbraw/zinc/12/58/79/607125879.db2.gz LCTQYTCMONSZIE-QMMMGPOBSA-N 0 1 378.853 1.005 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1-c1nnn[n-]1 ZINC000821969804 607159596 /nfs/dbraw/zinc/15/95/96/607159596.db2.gz FDYOLKMKWNSUAN-ZWNOBZJWSA-N 0 1 389.485 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1-c1nn[n-]n1 ZINC000821969804 607159598 /nfs/dbraw/zinc/15/95/98/607159598.db2.gz FDYOLKMKWNSUAN-ZWNOBZJWSA-N 0 1 389.485 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1-c1nn[n-]n1 ZINC000821969804 607159599 /nfs/dbraw/zinc/15/95/99/607159599.db2.gz FDYOLKMKWNSUAN-ZWNOBZJWSA-N 0 1 389.485 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCOC3(CCCC3)C2)cc1-c1nn[nH]n1 ZINC000821971021 607159778 /nfs/dbraw/zinc/15/97/78/607159778.db2.gz VZNCJZZGTXJCCY-UHFFFAOYSA-N 0 1 376.442 1.474 20 0 GDADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000823313498 607203071 /nfs/dbraw/zinc/20/30/71/607203071.db2.gz CQUYHSIODIBKJO-GJZGRUSLSA-N 0 1 391.863 1.583 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(OC(F)F)c2ncccc12 ZINC000823136394 607209801 /nfs/dbraw/zinc/20/98/01/607209801.db2.gz YWTLYOSWEPNKEO-UHFFFAOYSA-N 0 1 387.310 1.247 20 0 GDADMN CC(C)(NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000819988041 607211823 /nfs/dbraw/zinc/21/18/23/607211823.db2.gz RCPAPFMNWYLKLE-UHFFFAOYSA-N 0 1 381.227 1.817 20 0 GDADMN COc1ccc(C)cc1-c1csc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 ZINC000821782622 607215340 /nfs/dbraw/zinc/21/53/40/607215340.db2.gz IDYFOYOHWVUXKE-UHFFFAOYSA-N 0 1 397.424 1.537 20 0 GDADMN CC(C)(C)[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(F)cc1F ZINC000819897889 607222510 /nfs/dbraw/zinc/22/25/10/607222510.db2.gz ASEHMBDHYHTOFX-ZDUSSCGKSA-N 0 1 376.371 1.640 20 0 GDADMN COc1ccc(CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](C)C2CC2)cc1 ZINC000821794469 607236913 /nfs/dbraw/zinc/23/69/13/607236913.db2.gz IAOIRQNKTUQJTG-GFCCVEGCSA-N 0 1 382.428 1.294 20 0 GDADMN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000826420031 607792721 /nfs/dbraw/zinc/79/27/21/607792721.db2.gz WFIVXMZLZXRBCE-CYBMUJFWSA-N 0 1 385.457 1.019 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1cncc(-c2nncn2C)c1 ZINC000826279852 607816288 /nfs/dbraw/zinc/81/62/88/607816288.db2.gz DZEVBQCPPLALHW-UHFFFAOYSA-N 0 1 397.424 1.166 20 0 GDADMN C[C@@H](CNC(=O)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CCN(C)CC1 ZINC000824422386 607834135 /nfs/dbraw/zinc/83/41/35/607834135.db2.gz ZDQYIALJOWMOMH-JTQLQIEISA-N 0 1 398.298 1.539 20 0 GDADMN CCN(CCc1nccs1)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825428643 607835900 /nfs/dbraw/zinc/83/59/00/607835900.db2.gz RTQKOPONWRVZOY-UHFFFAOYSA-N 0 1 391.482 1.851 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1-c1nn[nH]n1 ZINC000826229984 607870160 /nfs/dbraw/zinc/87/01/60/607870160.db2.gz ZGNFGIUHPSYXGM-NOZJJQNGSA-N 0 1 398.448 1.984 20 0 GDADMN CN1CCCN(C(=O)c2occc2COc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826033377 607964767 /nfs/dbraw/zinc/96/47/67/607964767.db2.gz BOGCOUNYPAXEBR-UHFFFAOYSA-N 0 1 382.424 1.816 20 0 GDADMN CC[C@H](Oc1ccccc1C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825159382 608021004 /nfs/dbraw/zinc/02/10/04/608021004.db2.gz OGJHYSUZBCACQC-AWEZNQCLSA-N 0 1 398.471 1.846 20 0 GDADMN CC[C@H](Oc1ccccc1C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825159382 608021005 /nfs/dbraw/zinc/02/10/05/608021005.db2.gz OGJHYSUZBCACQC-AWEZNQCLSA-N 0 1 398.471 1.846 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c(F)c(F)cc(F)c2F)c1-c1nn[n-]n1 ZINC000826077745 608021560 /nfs/dbraw/zinc/02/15/60/608021560.db2.gz SUTXDRAGFOPYAW-UHFFFAOYSA-N 0 1 398.324 1.551 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1cc(F)ccc1F ZINC000825933285 608035671 /nfs/dbraw/zinc/03/56/71/608035671.db2.gz AOSHIWKXXPVBQF-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)c1cc(F)ccc1F ZINC000825933285 608035672 /nfs/dbraw/zinc/03/56/72/608035672.db2.gz AOSHIWKXXPVBQF-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1cc(F)ccc1F ZINC000825933285 608035673 /nfs/dbraw/zinc/03/56/73/608035673.db2.gz AOSHIWKXXPVBQF-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)c1cc(F)ccc1F ZINC000825933285 608035674 /nfs/dbraw/zinc/03/56/74/608035674.db2.gz AOSHIWKXXPVBQF-ZDUSSCGKSA-N 0 1 378.387 1.048 20 0 GDADMN Fc1cncc(N2CCN(CCCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826378297 608041603 /nfs/dbraw/zinc/04/16/03/608041603.db2.gz CWTQJNGDYOMZGY-UHFFFAOYSA-N 0 1 383.431 1.992 20 0 GDADMN Cc1cc(C[C@H](C)NC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC000826266479 608065933 /nfs/dbraw/zinc/06/59/33/608065933.db2.gz PUMXCVLXHXSTTQ-SJCJKPOMSA-N 0 1 396.455 1.612 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000443053628 608096901 /nfs/dbraw/zinc/09/69/01/608096901.db2.gz VEYIHBCGFFFONN-QMMMGPOBSA-N 0 1 396.864 1.801 20 0 GDADMN CN(C)C1CN(C(=O)c2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825854883 608109075 /nfs/dbraw/zinc/10/90/75/608109075.db2.gz DFSOVIQOYJPDSR-UHFFFAOYSA-N 0 1 378.436 1.832 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C3OCCO3)c2)c1-c1nnn[n-]1 ZINC000826084088 608113962 /nfs/dbraw/zinc/11/39/62/608113962.db2.gz VAPKUQXTWCVBQO-UHFFFAOYSA-N 0 1 398.427 1.040 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C3OCCO3)c2)c1-c1nn[n-]n1 ZINC000826084088 608113963 /nfs/dbraw/zinc/11/39/63/608113963.db2.gz VAPKUQXTWCVBQO-UHFFFAOYSA-N 0 1 398.427 1.040 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000824047131 608130980 /nfs/dbraw/zinc/13/09/80/608130980.db2.gz XWJLFJWITBIQRI-ZFWWWQNUSA-N 0 1 386.456 1.669 20 0 GDADMN C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824991513 608150857 /nfs/dbraw/zinc/15/08/57/608150857.db2.gz BUUVQTLYVGVLOA-PBHICJAKSA-N 0 1 393.499 1.272 20 0 GDADMN C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824991513 608150859 /nfs/dbraw/zinc/15/08/59/608150859.db2.gz BUUVQTLYVGVLOA-PBHICJAKSA-N 0 1 393.499 1.272 20 0 GDADMN C[C@@H](O)CNC(=O)c1cccc(Oc2snc(Cl)c2-c2nn[nH]n2)c1 ZINC000824706850 608183855 /nfs/dbraw/zinc/18/38/55/608183855.db2.gz KMOQZRODLDKATO-SSDOTTSWSA-N 0 1 380.817 1.880 20 0 GDADMN COc1cccc([C@H](CNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)N(C)C)c1 ZINC000826214445 608215617 /nfs/dbraw/zinc/21/56/17/608215617.db2.gz MDWXNXVKNKKFMT-INIZCTEOSA-N 0 1 396.455 1.101 20 0 GDADMN CC(C)CN(CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824255389 608253519 /nfs/dbraw/zinc/25/35/19/608253519.db2.gz HWZRAVJTIAOGLT-LJQANCHMSA-N 0 1 398.511 1.962 20 0 GDADMN CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C[C@H]1C ZINC000825444997 608253823 /nfs/dbraw/zinc/25/38/23/608253823.db2.gz UKRKXHMTHYNZES-NXEZZACHSA-N 0 1 377.474 1.244 20 0 GDADMN CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@H]1C ZINC000825444997 608253824 /nfs/dbraw/zinc/25/38/24/608253824.db2.gz UKRKXHMTHYNZES-NXEZZACHSA-N 0 1 377.474 1.244 20 0 GDADMN CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@H]1C ZINC000825444997 608253825 /nfs/dbraw/zinc/25/38/25/608253825.db2.gz UKRKXHMTHYNZES-NXEZZACHSA-N 0 1 377.474 1.244 20 0 GDADMN C[C@H]1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C ZINC000824956133 608269016 /nfs/dbraw/zinc/26/90/16/608269016.db2.gz QITGBWPROWBPOY-UONOGXRCSA-N 0 1 383.456 1.566 20 0 GDADMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CCN1C[C@@H](C)O ZINC000825203989 608337479 /nfs/dbraw/zinc/33/74/79/608337479.db2.gz OTUNZCFEMXSGRD-JKIFEVAISA-N 0 1 387.488 1.414 20 0 GDADMN C[C@H]([NH2+]Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824626161 608450567 /nfs/dbraw/zinc/45/05/67/608450567.db2.gz MVEKQVPDFZOTGG-ZDUSSCGKSA-N 0 1 393.451 1.770 20 0 GDADMN C[C@H]([NH2+]Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824626161 608450568 /nfs/dbraw/zinc/45/05/68/608450568.db2.gz MVEKQVPDFZOTGG-ZDUSSCGKSA-N 0 1 393.451 1.770 20 0 GDADMN CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825499291 608467998 /nfs/dbraw/zinc/46/79/98/608467998.db2.gz JXUFVWGJLRMADZ-BBRMVZONSA-N 0 1 386.456 1.462 20 0 GDADMN Cc1nncn1-c1cccc(NS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)c1 ZINC000826304124 608491519 /nfs/dbraw/zinc/49/15/19/608491519.db2.gz XHPQASLWJMHAAJ-UHFFFAOYSA-N 0 1 396.436 1.865 20 0 GDADMN C[C@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CC(=O)N2C ZINC000824563686 608493274 /nfs/dbraw/zinc/49/32/74/608493274.db2.gz PIFBBODSYWUTGI-LBPRGKRZSA-N 0 1 391.435 1.675 20 0 GDADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NCc1ccc2c(c1)OCO2 ZINC000826412357 608529731 /nfs/dbraw/zinc/52/97/31/608529731.db2.gz LDXJKLQAYGPOAO-UHFFFAOYSA-N 0 1 392.419 1.491 20 0 GDADMN OCc1ccc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)o1 ZINC000826510164 608549377 /nfs/dbraw/zinc/54/93/77/608549377.db2.gz AOOSYGMKNXKXFP-UHFFFAOYSA-N 0 1 397.395 1.522 20 0 GDADMN CC(C)[C@H](C)NC(=O)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824193473 608658449 /nfs/dbraw/zinc/65/84/49/608658449.db2.gz YSPDMFJWCTXFGY-AWEZNQCLSA-N 0 1 396.499 1.887 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000825001256 608834393 /nfs/dbraw/zinc/83/43/93/608834393.db2.gz XZBWMUHHBXTWEO-GJZGRUSLSA-N 0 1 392.467 1.734 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000825001256 608834395 /nfs/dbraw/zinc/83/43/95/608834395.db2.gz XZBWMUHHBXTWEO-GJZGRUSLSA-N 0 1 392.467 1.734 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000825001256 608834398 /nfs/dbraw/zinc/83/43/98/608834398.db2.gz XZBWMUHHBXTWEO-GJZGRUSLSA-N 0 1 392.467 1.734 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000825001256 608834400 /nfs/dbraw/zinc/83/44/00/608834400.db2.gz XZBWMUHHBXTWEO-GJZGRUSLSA-N 0 1 392.467 1.734 20 0 GDADMN Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256813 609153197 /nfs/dbraw/zinc/15/31/97/609153197.db2.gz BBXDAYDMYXXXNU-AWEZNQCLSA-N 0 1 380.456 1.385 20 0 GDADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826434025 609185536 /nfs/dbraw/zinc/18/55/36/609185536.db2.gz ZQQSNRLBCFVWQF-RDJZCZTQSA-N 0 1 382.424 1.446 20 0 GDADMN CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)cn2)CC1 ZINC000826044930 609286674 /nfs/dbraw/zinc/28/66/74/609286674.db2.gz MXQGGMWTZDFTOF-UHFFFAOYSA-N 0 1 398.858 1.919 20 0 GDADMN O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CCC(CN2CCOCC2)CC1 ZINC000826473034 609289185 /nfs/dbraw/zinc/28/91/85/609289185.db2.gz HTIJOJFMYIWMTM-UHFFFAOYSA-N 0 1 390.875 1.705 20 0 GDADMN COC(=O)[C@H]1CCCCCN1C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000826133466 609302873 /nfs/dbraw/zinc/30/28/73/609302873.db2.gz MKBGJISKENNQAZ-LLVKDONJSA-N 0 1 392.441 1.247 20 0 GDADMN Cc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(C)n1 ZINC000530801965 649980711 /nfs/dbraw/zinc/98/07/11/649980711.db2.gz SONPWEFJYIPDSS-UHFFFAOYSA-N 0 1 381.479 1.940 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC000824893948 609357753 /nfs/dbraw/zinc/35/77/53/609357753.db2.gz VZDJIYMHJGGGGB-NEPJUHHUSA-N 0 1 399.434 1.796 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC[N@H+]1C ZINC000824893948 609357754 /nfs/dbraw/zinc/35/77/54/609357754.db2.gz VZDJIYMHJGGGGB-NEPJUHHUSA-N 0 1 399.434 1.796 20 0 GDADMN C[NH+](C)C1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000825855624 609359360 /nfs/dbraw/zinc/35/93/60/609359360.db2.gz IOKCBMQXSWKRQZ-UHFFFAOYSA-N 0 1 399.434 1.749 20 0 GDADMN CC(C)N1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[nH]n3)n2)CC1 ZINC000824301117 609360062 /nfs/dbraw/zinc/36/00/62/609360062.db2.gz QHLSRKFQBLURCO-UHFFFAOYSA-N 0 1 399.434 1.749 20 0 GDADMN O=C(NCCc1nc[nH]n1)c1ccccc1Oc1ccccc1-c1nn[nH]n1 ZINC000826440090 609386934 /nfs/dbraw/zinc/38/69/34/609386934.db2.gz XXTGDSLMUULODG-UHFFFAOYSA-N 0 1 376.380 1.750 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000826341194 609393170 /nfs/dbraw/zinc/39/31/70/609393170.db2.gz ZXARTVOVKUSARO-UHFFFAOYSA-N 0 1 399.455 1.088 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000826341194 609393172 /nfs/dbraw/zinc/39/31/72/609393172.db2.gz ZXARTVOVKUSARO-UHFFFAOYSA-N 0 1 399.455 1.088 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000826341194 609393174 /nfs/dbraw/zinc/39/31/74/609393174.db2.gz ZXARTVOVKUSARO-UHFFFAOYSA-N 0 1 399.455 1.088 20 0 GDADMN Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000826341194 609393176 /nfs/dbraw/zinc/39/31/76/609393176.db2.gz ZXARTVOVKUSARO-UHFFFAOYSA-N 0 1 399.455 1.088 20 0 GDADMN CC[C@@H](C)n1nc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1C ZINC000825081504 609404229 /nfs/dbraw/zinc/40/42/29/609404229.db2.gz KJMNCTBMVQCUCR-SNVBAGLBSA-N 0 1 386.464 1.470 20 0 GDADMN CC[C@@H](C)n1nc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1C ZINC000825081504 609404231 /nfs/dbraw/zinc/40/42/31/609404231.db2.gz KJMNCTBMVQCUCR-SNVBAGLBSA-N 0 1 386.464 1.470 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)c2sccc2C)cc1-c1nn[nH]n1 ZINC000826229840 609406583 /nfs/dbraw/zinc/40/65/83/609406583.db2.gz TXMKZAHYMASPSQ-SNVBAGLBSA-N 0 1 392.466 1.523 20 0 GDADMN CC(C)[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1F ZINC000824193049 609428181 /nfs/dbraw/zinc/42/81/81/609428181.db2.gz QYUPVWNSWDURRR-CYBMUJFWSA-N 0 1 378.799 1.764 20 0 GDADMN Cc1nnc(SCCC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)[nH]1 ZINC000530805065 649981219 /nfs/dbraw/zinc/98/12/19/649981219.db2.gz MTWCRYCIYSGIEN-UHFFFAOYSA-N 0 1 381.483 1.675 20 0 GDADMN Cc1onc(CC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c1-c1nn[nH]n1 ZINC000826344139 609468677 /nfs/dbraw/zinc/46/86/77/609468677.db2.gz YFINYCXASAMPRJ-KBPBESRZSA-N 0 1 395.467 1.827 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826345551 609472558 /nfs/dbraw/zinc/47/25/58/609472558.db2.gz NLXAAFZDOFWMJL-CZUORRHYSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826345551 609472559 /nfs/dbraw/zinc/47/25/59/609472559.db2.gz NLXAAFZDOFWMJL-CZUORRHYSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826345551 609472561 /nfs/dbraw/zinc/47/25/61/609472561.db2.gz NLXAAFZDOFWMJL-CZUORRHYSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1onc(CC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826345551 609472563 /nfs/dbraw/zinc/47/25/63/609472563.db2.gz NLXAAFZDOFWMJL-CZUORRHYSA-N 0 1 395.467 1.732 20 0 GDADMN Cc1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1-c1nn[nH]n1 ZINC000826312761 609559058 /nfs/dbraw/zinc/55/90/58/609559058.db2.gz NUFSGWTXEPFEHU-IRXDYDNUSA-N 0 1 379.468 1.865 20 0 GDADMN CCc1nc([C@@H]2CN(c3ncc(Cl)c(C)c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000825739559 609576272 /nfs/dbraw/zinc/57/62/72/609576272.db2.gz FYYBZPTUZMVMMY-JTQLQIEISA-N 0 1 375.824 1.482 20 0 GDADMN Cc1nc(CN2CCN(c3ccc(C(F)(F)F)cc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000826325818 609585946 /nfs/dbraw/zinc/58/59/46/609585946.db2.gz MYYGIEHCZUZXGW-UHFFFAOYSA-N 0 1 393.377 1.634 20 0 GDADMN COCCOc1ccc(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)cc1C ZINC000530890727 649983481 /nfs/dbraw/zinc/98/34/81/649983481.db2.gz KMSBEWQMBRHCBB-KRWDZBQOSA-N 0 1 388.555 1.736 20 0 GDADMN O=C(N[C@@H]1C=C[C@H](CO)C1)c1n[nH]c2ccc(I)cc21 ZINC000530881470 649983521 /nfs/dbraw/zinc/98/35/21/649983521.db2.gz OUHXVYFWIOAZHJ-WCBMZHEXSA-N 0 1 383.189 1.834 20 0 GDADMN CN(C)CCCN(C(=O)c1cnc2ccsc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000532080838 650004542 /nfs/dbraw/zinc/00/45/42/650004542.db2.gz ATJBYFVAWDVVSV-AWEZNQCLSA-N 0 1 381.523 1.877 20 0 GDADMN CN(CC(=O)NCC(=O)Nc1ccc(Br)cc1)[C@H]1CCSC1 ZINC000534586597 650225960 /nfs/dbraw/zinc/22/59/60/650225960.db2.gz SWMVKEJCLYCBNP-ZDUSSCGKSA-N 0 1 386.315 1.941 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@@H]1CC1(C)C ZINC000535585423 650250207 /nfs/dbraw/zinc/25/02/07/650250207.db2.gz RAOBNZDCJFEIJA-NSHDSACASA-N 0 1 376.500 1.781 20 0 GDADMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)n[nH]1 ZINC000535691436 650253640 /nfs/dbraw/zinc/25/36/40/650253640.db2.gz DINQMLSYPBVAHP-NSHDSACASA-N 0 1 386.499 1.512 20 0 GDADMN CCCCN1CCC(NC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000536970452 650284990 /nfs/dbraw/zinc/28/49/90/650284990.db2.gz KKVQBWOAKABBPL-MRXNPFEDSA-N 0 1 375.535 1.096 20 0 GDADMN COC(=O)c1nscc1S(=O)(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000537747071 650300910 /nfs/dbraw/zinc/30/09/10/650300910.db2.gz AFKZHMJGYJCMLK-UHFFFAOYSA-N 0 1 383.329 1.850 20 0 GDADMN O=S(=O)(CCCC(F)(F)F)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000538678956 650318008 /nfs/dbraw/zinc/31/80/08/650318008.db2.gz AHBAHMKZBBFUHY-HNNXBMFYSA-N 0 1 380.432 1.885 20 0 GDADMN COc1ccc([C@@H](C)NC[C@@H]2CS(=O)(=O)CCO2)cc1Br ZINC000540163100 650350311 /nfs/dbraw/zinc/35/03/11/650350311.db2.gz DERUBLLQKBRFRI-ZYHUDNBSSA-N 0 1 378.288 1.922 20 0 GDADMN CC(C)CN(C)S(=O)(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000540856089 650371607 /nfs/dbraw/zinc/37/16/07/650371607.db2.gz GWZWQYQFPZRWOY-UHFFFAOYSA-N 0 1 376.567 1.035 20 0 GDADMN C[C@H](NC(=O)c1c[nH]c2ccc(Br)cc2c1=O)c1nncn1C ZINC000542503591 650406534 /nfs/dbraw/zinc/40/65/34/650406534.db2.gz NOZPLGUJCFJGGT-QMMMGPOBSA-N 0 1 376.214 1.910 20 0 GDADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)OC)nc2)c1 ZINC000543867041 650431136 /nfs/dbraw/zinc/43/11/36/650431136.db2.gz BHAGVNHRVGISIS-UHFFFAOYSA-N 0 1 384.435 1.463 20 0 GDADMN C[C@@H](C[S@](C)=O)NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000544311448 650437591 /nfs/dbraw/zinc/43/75/91/650437591.db2.gz 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ZINC000735563306 944670731 /nfs/dbraw/zinc/67/07/31/944670731.db2.gz SPYHZAUYIJHTAD-ZBFHGGJFSA-N 0 1 397.483 1.528 20 0 GDADMN CO[C@@H](C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C1CCCC1 ZINC001571263773 945468364 /nfs/dbraw/zinc/46/83/64/945468364.db2.gz AOYPLPJGQBTABM-RHSMWYFYSA-N 0 1 385.472 1.292 20 0 GDADMN CCO[C@H]1C[C@@H]1C(=O)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571264278 945480358 /nfs/dbraw/zinc/48/03/58/945480358.db2.gz KETIAKVFMXPIQD-YOEHRIQHSA-N 0 1 385.472 1.149 20 0 GDADMN CCC[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCO1 ZINC001571264862 945493851 /nfs/dbraw/zinc/49/38/51/945493851.db2.gz YXNNZIGHXVDHPV-ZQDZILKHSA-N 0 1 385.472 1.338 20 0 GDADMN Cc1cc(NC[C@H]2CCCCN2C(=O)[C@H]2CCCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264963 945496811 /nfs/dbraw/zinc/49/68/11/945496811.db2.gz ABQXSFZNZVORDB-RHSMWYFYSA-N 0 1 385.472 1.354 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCCC[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571266575 945547027 /nfs/dbraw/zinc/54/70/27/945547027.db2.gz UJVDBGCPMBDXGD-HUUCEWRRSA-N 0 1 385.472 1.293 20 0 GDADMN CCn1cnc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571271396 945642029 /nfs/dbraw/zinc/64/20/29/945642029.db2.gz BJSASMYDFKBNGK-YPMHNXCESA-N 0 1 386.485 1.395 20 0 GDADMN CCn1cnc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571271396 945642033 /nfs/dbraw/zinc/64/20/33/945642033.db2.gz BJSASMYDFKBNGK-YPMHNXCESA-N 0 1 386.485 1.395 20 0 GDADMN NC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)c(O)c1)c1ccc(Cl)cc1 ZINC001571271727 945648030 /nfs/dbraw/zinc/64/80/30/945648030.db2.gz IDXYUTQTNRONMT-CYBMUJFWSA-N 0 1 386.799 1.572 20 0 GDADMN Cc1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@H]2C)c1 ZINC001571272040 945653467 /nfs/dbraw/zinc/65/34/67/945653467.db2.gz NKMHCTIAFKCMRM-OCCSQVGLSA-N 0 1 386.485 1.212 20 0 GDADMN Cc1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@H]2C)c1 ZINC001571272040 945653478 /nfs/dbraw/zinc/65/34/78/945653478.db2.gz NKMHCTIAFKCMRM-OCCSQVGLSA-N 0 1 386.485 1.212 20 0 GDADMN CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821268415 945661234 /nfs/dbraw/zinc/66/12/34/945661234.db2.gz WJCKCHYVMFLZQO-OCCSQVGLSA-N 0 1 375.477 1.820 20 0 GDADMN CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821268415 945661238 /nfs/dbraw/zinc/66/12/38/945661238.db2.gz WJCKCHYVMFLZQO-OCCSQVGLSA-N 0 1 375.477 1.820 20 0 GDADMN CNc1nc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000821637315 945763197 /nfs/dbraw/zinc/76/31/97/945763197.db2.gz ARRAJCCPHMXOAT-UHFFFAOYSA-N 0 1 398.496 1.713 20 0 GDADMN Cc1nc(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)co1 ZINC001571281425 945805335 /nfs/dbraw/zinc/80/53/35/945805335.db2.gz IKBJLURILCFOFX-ZYHUDNBSSA-N 0 1 387.469 1.865 20 0 GDADMN Cc1nc(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)co1 ZINC001571281425 945805345 /nfs/dbraw/zinc/80/53/45/945805345.db2.gz IKBJLURILCFOFX-ZYHUDNBSSA-N 0 1 387.469 1.865 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCCCC[C@@H](NCc2cnns2)C1 ZINC001571281668 945810340 /nfs/dbraw/zinc/81/03/40/945810340.db2.gz LEFGKBKNJDFHPC-GFCCVEGCSA-N 0 1 387.473 1.221 20 0 GDADMN Cc1ncoc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571281818 945817302 /nfs/dbraw/zinc/81/73/02/945817302.db2.gz OLUWACAXDIRDIC-WCQYABFASA-N 0 1 387.469 1.913 20 0 GDADMN Cc1ncoc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571281818 945817312 /nfs/dbraw/zinc/81/73/12/945817312.db2.gz OLUWACAXDIRDIC-WCQYABFASA-N 0 1 387.469 1.913 20 0 GDADMN C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571281986 945822867 /nfs/dbraw/zinc/82/28/67/945822867.db2.gz QPXCMIFVIGFGCP-BBRMVZONSA-N 0 1 387.488 1.274 20 0 GDADMN CC1(C)CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571284207 945896830 /nfs/dbraw/zinc/89/68/30/945896830.db2.gz MXDKBLUXZWDPHT-LLVKDONJSA-N 0 1 387.835 1.023 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571287581 945976062 /nfs/dbraw/zinc/97/60/62/945976062.db2.gz FKSVCGNPTQEKFN-MRRJBJDNSA-N 0 1 388.447 1.654 20 0 GDADMN C[C@]1(NC(=O)C2CCOCC2)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289296 946002700 /nfs/dbraw/zinc/00/27/00/946002700.db2.gz ZFEKOEKKSBQAID-IBGZPJMESA-N 0 1 388.447 1.513 20 0 GDADMN Cc1ccc2nc(CNS(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)[nH]c2c1 ZINC000822270925 946038481 /nfs/dbraw/zinc/03/84/81/946038481.db2.gz DFAXBVBIIFAHRO-UHFFFAOYSA-N 0 1 383.437 1.838 20 0 GDADMN O=C(NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1ccn(C(F)F)n1 ZINC001571291426 946076095 /nfs/dbraw/zinc/07/60/95/946076095.db2.gz JRKAJQCOUYADRE-UHFFFAOYSA-N 0 1 389.370 1.252 20 0 GDADMN O=C(c1ccc(C(F)F)o1)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571295297 946159702 /nfs/dbraw/zinc/15/97/02/946159702.db2.gz WVOJIDFDPCHTBK-UHFFFAOYSA-N 0 1 390.354 1.326 20 0 GDADMN O=C(NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001571298634 946224634 /nfs/dbraw/zinc/22/46/34/946224634.db2.gz BSKRJBHKPFVXNS-DZGCQCFKSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(NC[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001571298634 946224644 /nfs/dbraw/zinc/22/46/44/946224644.db2.gz BSKRJBHKPFVXNS-DZGCQCFKSA-N 0 1 390.513 1.968 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccccn2)CCN1c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571299338 946246015 /nfs/dbraw/zinc/24/60/15/946246015.db2.gz LBGDEAQLXPBKQQ-BDAKNGLRSA-N 0 1 390.860 1.769 20 0 GDADMN O=C(c1cscc1Cl)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571300267 946279422 /nfs/dbraw/zinc/27/94/22/946279422.db2.gz YFAKPNWVRHFDNE-UHFFFAOYSA-N 0 1 390.860 1.510 20 0 GDADMN O=C(c1ccsc1Cl)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571300309 946279856 /nfs/dbraw/zinc/27/98/56/946279856.db2.gz ZIRMYLPKHIHNFH-VIFPVBQESA-N 0 1 390.860 1.510 20 0 GDADMN Cc1ccc(CC(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571306282 946393453 /nfs/dbraw/zinc/39/34/53/946393453.db2.gz JIHYXZZLOYTCFW-IBGZPJMESA-N 0 1 391.479 1.893 20 0 GDADMN CCO[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571306271 946394665 /nfs/dbraw/zinc/39/46/65/946394665.db2.gz JDSOROAIARSWTM-IUODEOHRSA-N 0 1 391.451 1.016 20 0 GDADMN O=C(N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)s1)C2)[C@@]1(F)CCOC1 ZINC001571310296 946469291 /nfs/dbraw/zinc/46/92/91/946469291.db2.gz ARUUQEFGJMEQHX-QGZVFWFLSA-N 0 1 392.460 1.091 20 0 GDADMN O=C(N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)C2)[C@@]1(F)CCOC1 ZINC001571310296 946469298 /nfs/dbraw/zinc/46/92/98/946469298.db2.gz ARUUQEFGJMEQHX-QGZVFWFLSA-N 0 1 392.460 1.091 20 0 GDADMN CCc1cccnc1C(=O)N1CC[C@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571313405 946519727 /nfs/dbraw/zinc/51/97/27/946519727.db2.gz ODPWJNTWAWTUSJ-HNNXBMFYSA-N 0 1 392.467 1.878 20 0 GDADMN Cc1cc(C)nc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001571315193 946549540 /nfs/dbraw/zinc/54/95/40/946549540.db2.gz HBAPGIKCMLYWDP-ZBFHGGJFSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571315858 946560440 /nfs/dbraw/zinc/56/04/40/946560440.db2.gz PUKCKFWURRICJV-CJNGLKHVSA-N 0 1 392.467 1.136 20 0 GDADMN Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571315839 946561664 /nfs/dbraw/zinc/56/16/64/946561664.db2.gz PDSQMKCWBCAXOA-XKQJLSEDSA-N 0 1 392.467 1.673 20 0 GDADMN Cc1ccncc1CC(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571316645 946584137 /nfs/dbraw/zinc/58/41/37/946584137.db2.gz JEVCFRAJKAYGMS-QGZVFWFLSA-N 0 1 392.467 1.279 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001571316655 946585298 /nfs/dbraw/zinc/58/52/98/946585298.db2.gz JGKIVZDJQOWEDH-HOTGVXAUSA-N 0 1 392.467 1.484 20 0 GDADMN Cn1ccc(C(=O)N2CC[C@@H](CNc3nc(-c4nn[nH]n4)c(Cl)s3)C2)c1 ZINC001571317498 946610849 /nfs/dbraw/zinc/61/08/49/946610849.db2.gz KBFRUPWBVCUFDY-VIFPVBQESA-N 0 1 392.876 1.889 20 0 GDADMN Cc1[nH]ccc1C(=O)N(C)[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571317939 946624428 /nfs/dbraw/zinc/62/44/28/946624428.db2.gz ZIFTUDHXPMYDNB-VIFPVBQESA-N 0 1 392.876 1.964 20 0 GDADMN CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C[C@H]1O ZINC000825210200 947120951 /nfs/dbraw/zinc/12/09/51/947120951.db2.gz FWBJGPIGENMTFW-ZYHUDNBSSA-N 0 1 376.486 1.448 20 0 GDADMN CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C[C@H]1O ZINC000825210200 947120953 /nfs/dbraw/zinc/12/09/53/947120953.db2.gz FWBJGPIGENMTFW-ZYHUDNBSSA-N 0 1 376.486 1.448 20 0 GDADMN C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C1CCCC1 ZINC001573593010 947359875 /nfs/dbraw/zinc/35/98/75/947359875.db2.gz HNIXWFRLTWDXMY-SWLSCSKDSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573595119 947414921 /nfs/dbraw/zinc/41/49/21/947414921.db2.gz FPDGEYTWPDLTHU-GDBMZVCRSA-N 0 1 380.456 1.357 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573596573 947431751 /nfs/dbraw/zinc/43/17/51/947431751.db2.gz LCULDAPWVVPADU-WBMJQRKESA-N 0 1 390.463 1.351 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCCO1 ZINC001573603010 947477061 /nfs/dbraw/zinc/47/70/61/947477061.db2.gz IUYWXTHTCRVXSV-CXAGYDPISA-N 0 1 390.463 1.711 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCCCC1 ZINC001573603711 947495240 /nfs/dbraw/zinc/49/52/40/947495240.db2.gz OTASPSKDSBANJI-OAHLLOKOSA-N 0 1 386.504 1.421 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001573605130 947525900 /nfs/dbraw/zinc/52/59/00/947525900.db2.gz YPFOUIYWZPQRJY-LBPRGKRZSA-N 0 1 384.419 1.494 20 0 GDADMN C[C@@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573613833 947570427 /nfs/dbraw/zinc/57/04/27/947570427.db2.gz JNLXFBYJJJHBDP-UWVGGRQHSA-N 0 1 380.403 1.019 20 0 GDADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000327444989 971400177 /nfs/dbraw/zinc/40/01/77/971400177.db2.gz NRZCFRAJSWSGFR-NEPJUHHUSA-N 0 1 388.873 1.904 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573614392 947584241 /nfs/dbraw/zinc/58/42/41/947584241.db2.gz DVNYBJYDJPLLCF-WDEREUQCSA-N 0 1 383.378 1.745 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)C(F)(F)F ZINC001573616518 947622641 /nfs/dbraw/zinc/62/26/41/947622641.db2.gz JEFCWUMICIFCSD-CABZTGNLSA-N 0 1 386.353 1.895 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573629245 947775179 /nfs/dbraw/zinc/77/51/79/947775179.db2.gz MUZHFEVQJCNGBB-KGLIPLIRSA-N 0 1 381.440 1.731 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573372826 947783729 /nfs/dbraw/zinc/78/37/29/947783729.db2.gz DMPDKWULXOJONC-AWEZNQCLSA-N 0 1 390.513 1.968 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573372826 947783739 /nfs/dbraw/zinc/78/37/39/947783739.db2.gz DMPDKWULXOJONC-AWEZNQCLSA-N 0 1 390.513 1.968 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573376269 947833750 /nfs/dbraw/zinc/83/37/50/947833750.db2.gz XASWHGWMABREFJ-DYVFJYSZSA-N 0 1 385.472 1.482 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001573376697 947839755 /nfs/dbraw/zinc/83/97/55/947839755.db2.gz CGYOWOHPDJODEP-CABCVRRESA-N 0 1 383.456 1.306 20 0 GDADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1nnc(C2CC2)n1C1CC1 ZINC000826295226 947856389 /nfs/dbraw/zinc/85/63/89/947856389.db2.gz XMZGQHULBHFKGK-UHFFFAOYSA-N 0 1 389.423 1.737 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573647050 947881623 /nfs/dbraw/zinc/88/16/23/947881623.db2.gz BBHJWKDGMNWQOQ-IJEWVQPXSA-N 0 1 398.515 1.801 20 0 GDADMN C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccc1 ZINC001573653246 947952790 /nfs/dbraw/zinc/95/27/90/947952790.db2.gz JYNXNEFISJAJHX-SWLSCSKDSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccc1 ZINC001573653246 947952802 /nfs/dbraw/zinc/95/28/02/947952802.db2.gz JYNXNEFISJAJHX-SWLSCSKDSA-N 0 1 385.497 1.975 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1-c1nnn[n-]1 ZINC000826344994 948016487 /nfs/dbraw/zinc/01/64/87/948016487.db2.gz ZBZJUGIYGCLNBQ-HNNXBMFYSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1-c1nn[n-]n1 ZINC000826344994 948016495 /nfs/dbraw/zinc/01/64/95/948016495.db2.gz ZBZJUGIYGCLNBQ-HNNXBMFYSA-N 0 1 387.488 1.820 20 0 GDADMN Cc1onc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1-c1nnn[n-]1 ZINC000826347850 948061019 /nfs/dbraw/zinc/06/10/19/948061019.db2.gz IYZGDUTYMKZEEJ-UHFFFAOYSA-N 0 1 381.440 1.618 20 0 GDADMN Cc1onc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1-c1nn[n-]n1 ZINC000826347850 948061026 /nfs/dbraw/zinc/06/10/26/948061026.db2.gz IYZGDUTYMKZEEJ-UHFFFAOYSA-N 0 1 381.440 1.618 20 0 GDADMN Cn1cc(CN2CCSC[C@H]2CCO)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361261 948129934 /nfs/dbraw/zinc/12/99/34/948129934.db2.gz QZKBVINZSPTUNM-MRXNPFEDSA-N 0 1 385.497 1.567 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccs1 ZINC001573677486 948138599 /nfs/dbraw/zinc/13/85/99/948138599.db2.gz AZKLRAAVALXITM-ZYHUDNBSSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC001573678622 948152220 /nfs/dbraw/zinc/15/22/20/948152220.db2.gz FOSIVKUPHYOEHU-QWRGUYRKSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C(F)(F)F ZINC001573680749 948187842 /nfs/dbraw/zinc/18/78/42/948187842.db2.gz RLMWXLFGWDQNFY-RKDXNWHRSA-N 0 1 384.366 1.186 20 0 GDADMN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573680886 948189922 /nfs/dbraw/zinc/18/99/22/948189922.db2.gz RGSNSJKWQOPKFU-WCQYABFASA-N 0 1 378.502 1.321 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(C)C ZINC001573681932 948216659 /nfs/dbraw/zinc/21/66/59/948216659.db2.gz ZHHHFKATVQCXJQ-AAEUAGOBSA-N 0 1 378.452 1.255 20 0 GDADMN C[C@@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)n1cccc1 ZINC001573690828 948230812 /nfs/dbraw/zinc/23/08/12/948230812.db2.gz BTPHIQXAJYQTSG-ZDUSSCGKSA-N 0 1 383.431 1.807 20 0 GDADMN O=C(CN1CC[C@H](COc2ccccc2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410814 948247185 /nfs/dbraw/zinc/24/71/85/948247185.db2.gz ZHSYHAQWTDTSCJ-KRWDZBQOSA-N 0 1 392.463 1.884 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1F ZINC001573692883 948274254 /nfs/dbraw/zinc/27/42/54/948274254.db2.gz SXDAUGDPZWSCNP-LLVKDONJSA-N 0 1 382.403 1.082 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001573695696 948308676 /nfs/dbraw/zinc/30/86/76/948308676.db2.gz YMWPYIOUTJVOPO-ZYHUDNBSSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccsc1 ZINC001573695696 948308683 /nfs/dbraw/zinc/30/86/83/948308683.db2.gz YMWPYIOUTJVOPO-ZYHUDNBSSA-N 0 1 392.510 1.360 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)C(=O)[O-] ZINC001602757127 971470289 /nfs/dbraw/zinc/47/02/89/971470289.db2.gz BKLOTRKPRCYKEO-GOEBONIOSA-N 0 1 385.505 1.935 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573703668 948357621 /nfs/dbraw/zinc/35/76/21/948357621.db2.gz LXXRUCNEUGJKQV-NWDGAFQWSA-N 0 1 379.415 1.886 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573703861 948359740 /nfs/dbraw/zinc/35/97/40/948359740.db2.gz NFBXHHPSUWSSAC-GHMZBOCLSA-N 0 1 380.403 1.281 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573704021 948362060 /nfs/dbraw/zinc/36/20/60/948362060.db2.gz NZYMWYODTWBUFH-ZJUUUORDSA-N 0 1 384.366 1.188 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705042 948389483 /nfs/dbraw/zinc/38/94/83/948389483.db2.gz VGMTWWFRBWHGMV-ZIAGYGMSSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573705039 948389949 /nfs/dbraw/zinc/38/99/49/948389949.db2.gz VGMTWWFRBWHGMV-KGLIPLIRSA-N 0 1 381.444 1.052 20 0 GDADMN c1cc(CN(CCCN2CCOCC2)Cc2ccc(-c3nn[nH]n3)cc2)ccn1 ZINC000826515947 948442371 /nfs/dbraw/zinc/44/23/71/948442371.db2.gz QMZMAIRWRNYNEG-UHFFFAOYSA-N 0 1 393.495 1.986 20 0 GDADMN C[C@@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573708113 948442951 /nfs/dbraw/zinc/44/29/51/948442951.db2.gz RLQSNPBRMAZHQE-AWEZNQCLSA-N 0 1 380.456 1.657 20 0 GDADMN C[C@@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)[C@H]1CCCO1 ZINC001573721563 948539196 /nfs/dbraw/zinc/53/91/96/948539196.db2.gz YJQLAWVTJHUBLR-IUODEOHRSA-N 0 1 390.513 1.824 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573731806 948596049 /nfs/dbraw/zinc/59/60/49/948596049.db2.gz HQMNXIVZVXMBOZ-UWVGGRQHSA-N 0 1 388.382 1.077 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H](C)n1cccn1 ZINC001573732525 948603440 /nfs/dbraw/zinc/60/34/40/948603440.db2.gz QFMKTJKWGFPUHM-YUMQZZPRSA-N 0 1 381.853 1.351 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001573732725 948607754 /nfs/dbraw/zinc/60/77/54/948607754.db2.gz WLQOEEIFNAUPMH-QWRGUYRKSA-N 0 1 386.847 1.452 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573736091 948612113 /nfs/dbraw/zinc/61/21/13/948612113.db2.gz HRYJZKNOGKPHPQ-ZWKOPEQDSA-N 0 1 383.378 1.721 20 0 GDADMN C[C@@H](C(=O)Nc1ncccc1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573754350 948742344 /nfs/dbraw/zinc/74/23/44/948742344.db2.gz FGROQFYVNBAPJD-VIFPVBQESA-N 0 1 385.388 1.008 20 0 GDADMN C[C@H](C(=O)Nc1cccc(Br)c1F)n1cnc(-c2nn[nH]n2)n1 ZINC001573755406 948763096 /nfs/dbraw/zinc/76/30/96/948763096.db2.gz DFAZVPWLVLALOU-ZCFIWIBFSA-N 0 1 381.169 1.560 20 0 GDADMN C[C@@H](C(=O)Nc1cc(O)cc(Br)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755970 948790405 /nfs/dbraw/zinc/79/04/05/948790405.db2.gz KKNGFJRYENFCKU-LURJTMIESA-N 0 1 379.178 1.126 20 0 GDADMN CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574419956 948790619 /nfs/dbraw/zinc/79/06/19/948790619.db2.gz LYSQMRWXANWSGV-CYBMUJFWSA-N 0 1 381.440 1.010 20 0 GDADMN CC(F)(F)C1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCCC2)CC1 ZINC001575224815 948796021 /nfs/dbraw/zinc/79/60/21/948796021.db2.gz ZJPHFAAWTROWBV-UHFFFAOYSA-N 0 1 392.414 1.355 20 0 GDADMN C[C@H](CNC(=O)CCC[NH+](C)C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574917734 948823745 /nfs/dbraw/zinc/82/37/45/948823745.db2.gz ADZMETOHUDDLME-SECBINFHSA-N 0 1 386.913 1.259 20 0 GDADMN CC(F)(F)CC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575227764 948831571 /nfs/dbraw/zinc/83/15/71/948831571.db2.gz ZLTNABSCQIWXFZ-GHMZBOCLSA-N 0 1 378.387 1.129 20 0 GDADMN CC[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001589565690 948864845 /nfs/dbraw/zinc/86/48/45/948864845.db2.gz ZBZKENMDFIDWRR-ABSDTBQOSA-N 0 1 376.453 1.416 20 0 GDADMN CC[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001589565690 948864863 /nfs/dbraw/zinc/86/48/63/948864863.db2.gz ZBZKENMDFIDWRR-ABSDTBQOSA-N 0 1 376.453 1.416 20 0 GDADMN CC(C)(C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1CCCCO1 ZINC001573763405 948869912 /nfs/dbraw/zinc/86/99/12/948869912.db2.gz DRYCRCUASGVHBN-XJKSGUPXSA-N 0 1 385.472 1.292 20 0 GDADMN CC(C)(C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573763493 948873477 /nfs/dbraw/zinc/87/34/77/948873477.db2.gz GEZNRXRSZROAOG-UHFFFAOYSA-N 0 1 384.366 1.070 20 0 GDADMN CC(F)(F)CC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575231972 948874204 /nfs/dbraw/zinc/87/42/04/948874204.db2.gz CGYBVLZEHMDPPA-NSHDSACASA-N 0 1 380.403 1.567 20 0 GDADMN CC(F)(F)CC(=O)NC[C@@H]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575232631 948877083 /nfs/dbraw/zinc/87/70/83/948877083.db2.gz FUJXRSRHNCSOKI-NSHDSACASA-N 0 1 382.390 1.989 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@]1(C)CCOC1 ZINC001574684673 948880333 /nfs/dbraw/zinc/88/03/33/948880333.db2.gz KOAYXEUPAMEJEP-RMLUDKJBSA-N 0 1 385.881 1.710 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575233553 948885729 /nfs/dbraw/zinc/88/57/29/948885729.db2.gz LJRWSBSWBHSEML-GHMZBOCLSA-N 0 1 380.403 1.211 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnsn1 ZINC001574685688 948915415 /nfs/dbraw/zinc/91/54/15/948915415.db2.gz ZFLSSULBOCZKNA-RXMQYKEDSA-N 0 1 385.866 1.449 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnn(C)c1 ZINC001574685814 948923163 /nfs/dbraw/zinc/92/31/63/948923163.db2.gz ZXPSLKXFTMQDGA-ZETCQYMHSA-N 0 1 381.853 1.331 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573771043 948932775 /nfs/dbraw/zinc/93/27/75/948932775.db2.gz AGFUQIDZWYPSHY-OCCSQVGLSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2)C1CC1 ZINC001573772536 948962784 /nfs/dbraw/zinc/96/27/84/948962784.db2.gz ULHGOFCEJCPDHX-OLZOCXBDSA-N 0 1 382.472 1.354 20 0 GDADMN CC(C)[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001574091337 949009928 /nfs/dbraw/zinc/00/99/28/949009928.db2.gz KELBIMSIAITRLU-DZGCQCFKSA-N 0 1 392.529 1.927 20 0 GDADMN CC(C)[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001574091337 949009945 /nfs/dbraw/zinc/00/99/45/949009945.db2.gz KELBIMSIAITRLU-DZGCQCFKSA-N 0 1 392.529 1.927 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001575244201 949013982 /nfs/dbraw/zinc/01/39/82/949013982.db2.gz XQVUNLKBJNKSKA-FOLVSLTJSA-N 0 1 376.411 1.849 20 0 GDADMN CC(C)c1nocc1C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574441876 949080413 /nfs/dbraw/zinc/08/04/13/949080413.db2.gz DLTDGSXEESEZTH-UHFFFAOYSA-N 0 1 381.440 1.840 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574092881 949082950 /nfs/dbraw/zinc/08/29/50/949082950.db2.gz UWKIZJNDYPIHFJ-LKRWXEKCSA-N 0 1 382.472 1.210 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574931724 949119910 /nfs/dbraw/zinc/11/99/10/949119910.db2.gz RAOMJESDXASTME-LBPRGKRZSA-N 0 1 378.502 1.872 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574931724 949119899 /nfs/dbraw/zinc/11/98/99/949119899.db2.gz RAOMJESDXASTME-LBPRGKRZSA-N 0 1 378.502 1.872 20 0 GDADMN C[C@H](CNC(=O)COC1CCCC1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574931785 949125926 /nfs/dbraw/zinc/12/59/26/949125926.db2.gz SGPJACCQCRVFHW-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](CNC(=O)COC1CCCC1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574931785 949125938 /nfs/dbraw/zinc/12/59/38/949125938.db2.gz SGPJACCQCRVFHW-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN CC(C)c1ocnc1C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574446584 949131558 /nfs/dbraw/zinc/13/15/58/949131558.db2.gz RWVUWXWTLGHVHH-LBPRGKRZSA-N 0 1 382.428 1.369 20 0 GDADMN C[C@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251590 949144064 /nfs/dbraw/zinc/14/40/64/949144064.db2.gz BPVJADAINOOXOO-KBPBESRZSA-N 0 1 392.467 1.407 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001574447599 949165824 /nfs/dbraw/zinc/16/58/24/949165824.db2.gz UHPGPMXLPPPWLD-LLVKDONJSA-N 0 1 385.432 1.057 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C1CCOCC1 ZINC001573787163 949166317 /nfs/dbraw/zinc/16/63/17/949166317.db2.gz NPNRHKVOCLZPFZ-HDJSIYSDSA-N 0 1 385.472 1.196 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574447665 949169280 /nfs/dbraw/zinc/16/92/80/949169280.db2.gz WNYZHHFOJURLSS-AWEZNQCLSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@@H](NC(=O)[C@@]1(C)CCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575252910 949176241 /nfs/dbraw/zinc/17/62/41/949176241.db2.gz IHLPSJFOCQXFOT-BLVKFPJESA-N 0 1 388.447 1.369 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574698500 949194013 /nfs/dbraw/zinc/19/40/13/949194013.db2.gz LTEIAJSYTKSCBK-ZIAGYGMSSA-N 0 1 381.440 1.410 20 0 GDADMN C[C@@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575253583 949194955 /nfs/dbraw/zinc/19/49/55/949194955.db2.gz KUYCUYFDBISZIQ-OLZOCXBDSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935363 949199843 /nfs/dbraw/zinc/19/98/43/949199843.db2.gz AUNTZDFWQSHAPC-SNVBAGLBSA-N 0 1 388.382 1.119 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574936697 949212796 /nfs/dbraw/zinc/21/27/96/949212796.db2.gz KBFPQYLYUOVRCB-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc(F)cn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574936697 949212825 /nfs/dbraw/zinc/21/28/25/949212825.db2.gz KBFPQYLYUOVRCB-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573791494 949222208 /nfs/dbraw/zinc/22/22/08/949222208.db2.gz ARTZNHWEAMVSIR-KRWDZBQOSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573791494 949222225 /nfs/dbraw/zinc/22/22/25/949222225.db2.gz ARTZNHWEAMVSIR-KRWDZBQOSA-N 0 1 378.502 1.417 20 0 GDADMN C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576151510 949224542 /nfs/dbraw/zinc/22/45/42/949224542.db2.gz GCRIOWRJWBYOCH-KBUPBQIOSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576151556 949226483 /nfs/dbraw/zinc/22/64/83/949226483.db2.gz GOKYCQJVEQZDBT-DJJJIMSYSA-N 0 1 384.488 1.816 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001589604850 949235184 /nfs/dbraw/zinc/23/51/84/949235184.db2.gz IZGSNVWRHTWSHU-MGPUTAFESA-N 0 1 376.453 1.888 20 0 GDADMN CC(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574103280 949235607 /nfs/dbraw/zinc/23/56/07/949235607.db2.gz PJBDGZSEGKWJSD-XQLPTFJDSA-N 0 1 382.472 1.376 20 0 GDADMN CC(C)c1scnc1C(=O)N[C@@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574451801 949248691 /nfs/dbraw/zinc/24/86/91/949248691.db2.gz ZFTKNOKLWDGQFE-QWRGUYRKSA-N 0 1 386.485 1.882 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCCCC1 ZINC001574700034 949252816 /nfs/dbraw/zinc/25/28/16/949252816.db2.gz XYCRGNDJQXKXMN-UONOGXRCSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC001589605468 949253900 /nfs/dbraw/zinc/25/39/00/949253900.db2.gz SBUKRDYTIWTXKF-SJKOYZFVSA-N 0 1 383.470 1.238 20 0 GDADMN CC(C)n1cc(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574452528 949265656 /nfs/dbraw/zinc/26/56/56/949265656.db2.gz MFPKYIFTCWSOQH-UHFFFAOYSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H](c1ncccn1)N1CC[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522544 949282380 /nfs/dbraw/zinc/28/23/80/949282380.db2.gz MOGKVSVGVKZOTB-OLZOCXBDSA-N 0 1 381.444 1.188 20 0 GDADMN CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573793567 949299867 /nfs/dbraw/zinc/29/98/67/949299867.db2.gz VDKAGOGRWSCFFF-LJGSYFOKSA-N 0 1 383.865 1.651 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@]1(C)CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703073 949308431 /nfs/dbraw/zinc/30/84/31/949308431.db2.gz QHINWJXPHXFHAB-CLAHSXSESA-N 0 1 385.881 1.662 20 0 GDADMN CC(C)CC(=O)N1CCC[C@](CO)(NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574109272 949318118 /nfs/dbraw/zinc/31/81/18/949318118.db2.gz WMIQAEOHIKRPCO-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575259158 949324600 /nfs/dbraw/zinc/32/46/00/949324600.db2.gz MXAGJGWUSGBNLJ-KBPBESRZSA-N 0 1 383.456 1.677 20 0 GDADMN C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574703498 949331758 /nfs/dbraw/zinc/33/17/58/949331758.db2.gz VUWDBVPOEKCQNY-LBPRGKRZSA-N 0 1 375.452 1.749 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)Nc1ccncc1-c1nn[nH]n1 ZINC001574703523 949334354 /nfs/dbraw/zinc/33/43/54/949334354.db2.gz DMTSBROEZHGKQL-LOWRVKSDSA-N 0 1 389.463 1.528 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001574458277 949343259 /nfs/dbraw/zinc/34/32/59/949343259.db2.gz RUWKOLXHSNCYLG-MRXNPFEDSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@H]1CCC[C@H](OCC(=O)NCCNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576154619 949348491 /nfs/dbraw/zinc/34/84/91/949348491.db2.gz QIQIVDIYSJLKPB-BBRMVZONSA-N 0 1 390.463 1.807 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccon1 ZINC001576155297 949397529 /nfs/dbraw/zinc/39/75/29/949397529.db2.gz HTPFAOBSJCIPCK-XIKOKIGWSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574705582 949428861 /nfs/dbraw/zinc/42/88/61/949428861.db2.gz ISGVKPBYQNDQDZ-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705582 949428903 /nfs/dbraw/zinc/42/89/03/949428903.db2.gz ISGVKPBYQNDQDZ-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705582 949428913 /nfs/dbraw/zinc/42/89/13/949428913.db2.gz ISGVKPBYQNDQDZ-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001576156664 949453692 /nfs/dbraw/zinc/45/36/92/949453692.db2.gz ZAAHZLNTHNPDBP-VYGYDYRJSA-N 0 1 382.472 1.663 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575266098 949469026 /nfs/dbraw/zinc/46/90/26/949469026.db2.gz XDQKHTYYHMWWSE-OLZOCXBDSA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575266098 949469049 /nfs/dbraw/zinc/46/90/49/949469049.db2.gz XDQKHTYYHMWWSE-OLZOCXBDSA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)n1nccc1C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574469477 949481002 /nfs/dbraw/zinc/48/10/02/949481002.db2.gz FCIQQQCXUWBGJZ-UHFFFAOYSA-N 0 1 386.435 1.645 20 0 GDADMN CC(C)CC(=O)NC[C@H]1COCCN1c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574118000 949487118 /nfs/dbraw/zinc/48/71/18/949487118.db2.gz COCSJVNBRXXUQK-VIFPVBQESA-N 0 1 385.881 1.344 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccco1 ZINC001576158792 949500098 /nfs/dbraw/zinc/50/00/98/949500098.db2.gz UNIVVWXWWUJUDZ-KZULUSFZSA-N 0 1 382.428 1.462 20 0 GDADMN C[C@@H](NC(=O)CC1OCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575267368 949502579 /nfs/dbraw/zinc/50/25/79/949502579.db2.gz IMCVFDNRPWISHH-LLVKDONJSA-N 0 1 392.485 1.018 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[NH+](C)C ZINC001576159006 949510923 /nfs/dbraw/zinc/51/09/23/949510923.db2.gz VRZRLFAIPCUAPE-UGSOOPFHSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[NH+](C)C ZINC001576159006 949510941 /nfs/dbraw/zinc/51/09/41/949510941.db2.gz VRZRLFAIPCUAPE-UGSOOPFHSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001574950002 949524854 /nfs/dbraw/zinc/52/48/54/949524854.db2.gz JLPUATHJLJDXFB-SWLSCSKDSA-N 0 1 376.461 1.745 20 0 GDADMN CC1(C(=O)N2CCC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575538697 949528584 /nfs/dbraw/zinc/52/85/84/949528584.db2.gz JAUHBRNVSVBKQY-AWEZNQCLSA-N 0 1 384.488 1.700 20 0 GDADMN CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCC1 ZINC001575538683 949529214 /nfs/dbraw/zinc/52/92/14/949529214.db2.gz IXAIPPHLGDFJMS-GOSISDBHSA-N 0 1 390.513 1.562 20 0 GDADMN CC1(C(=O)N2CCC[C@@](CO)([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCC1 ZINC001575538683 949529228 /nfs/dbraw/zinc/52/92/28/949529228.db2.gz IXAIPPHLGDFJMS-GOSISDBHSA-N 0 1 390.513 1.562 20 0 GDADMN C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575269245 949541394 /nfs/dbraw/zinc/54/13/94/949541394.db2.gz SMVMPVZVZZHOPW-HIFRSBDPSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872338 949544108 /nfs/dbraw/zinc/54/41/08/949544108.db2.gz IAZZWKFRDCUSQO-HIFRSBDPSA-N 0 1 384.488 1.220 20 0 GDADMN C[C@@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872709 949558504 /nfs/dbraw/zinc/55/85/04/949558504.db2.gz LAYRDGRHIQPOPR-QWHDWNGZSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873176 949570721 /nfs/dbraw/zinc/57/07/21/949570721.db2.gz ODCDXZPDGWFDLW-ONGXEEELSA-N 0 1 378.387 1.176 20 0 GDADMN C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574475528 949572344 /nfs/dbraw/zinc/57/23/44/949572344.db2.gz BELUELKLZUIFSW-UWVGGRQHSA-N 0 1 384.366 1.282 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)COCC1CC1 ZINC001573810777 949577885 /nfs/dbraw/zinc/57/78/85/949577885.db2.gz CLPUASGMIZGHKE-OAHLLOKOSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)COCC1CC1 ZINC001573810777 949577902 /nfs/dbraw/zinc/57/79/02/949577902.db2.gz CLPUASGMIZGHKE-OAHLLOKOSA-N 0 1 392.529 1.975 20 0 GDADMN CC1(C(=O)N2CCCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCCC1 ZINC001575544448 949583211 /nfs/dbraw/zinc/58/32/11/949583211.db2.gz CVRJQAKFLUGCPN-AWEZNQCLSA-N 0 1 385.472 1.293 20 0 GDADMN C[C@H](NC(=O)C[C@H]1CCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575270449 949592882 /nfs/dbraw/zinc/59/28/82/949592882.db2.gz ZTHXXRGELIBCAL-WCQYABFASA-N 0 1 376.486 1.434 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=CCOCC1 ZINC001573811694 949603911 /nfs/dbraw/zinc/60/39/11/949603911.db2.gz MVLFKWMUDKKGLB-HNNXBMFYSA-N 0 1 390.513 1.895 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=CCOCC1 ZINC001573811694 949603930 /nfs/dbraw/zinc/60/39/30/949603930.db2.gz MVLFKWMUDKKGLB-HNNXBMFYSA-N 0 1 390.513 1.895 20 0 GDADMN CC1(C(=O)N2CCCC[C@H]2[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575546438 949608367 /nfs/dbraw/zinc/60/83/67/949608367.db2.gz QGHPZNYSTDQYEH-KGLIPLIRSA-N 0 1 382.472 1.807 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@H]1CCOC1 ZINC001573812528 949618042 /nfs/dbraw/zinc/61/80/42/949618042.db2.gz SJKCXPGXJSUSKW-IUODEOHRSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@H]1CCOC1 ZINC001573812528 949618061 /nfs/dbraw/zinc/61/80/61/949618061.db2.gz SJKCXPGXJSUSKW-IUODEOHRSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574957779 949631922 /nfs/dbraw/zinc/63/19/22/949631922.db2.gz IGQPEFIWEXVCPT-JOTOCRJQSA-N 0 1 377.452 1.578 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573815198 949646705 /nfs/dbraw/zinc/64/67/05/949646705.db2.gz GVZZQPGIGSIVFY-HUUCEWRRSA-N 0 1 392.467 1.361 20 0 GDADMN C[C@@]1(C(=O)N2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)CC2)CCOC1 ZINC001575547920 949649370 /nfs/dbraw/zinc/64/93/70/949649370.db2.gz KFPCDQUTXHBIGW-CQSZACIVSA-N 0 1 383.865 1.052 20 0 GDADMN CCC[C@H]1CN(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CC[N@H+]1CCOC ZINC001589639466 949660986 /nfs/dbraw/zinc/66/09/86/949660986.db2.gz YCHBYXMXWJCJCP-ASPXRTSYSA-N 0 1 397.516 1.541 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCC1(C)C ZINC001573815837 949661544 /nfs/dbraw/zinc/66/15/44/949661544.db2.gz KLQQJLIHOIEUNX-OLZOCXBDSA-N 0 1 386.504 1.848 20 0 GDADMN C[C@@H](NC(=O)CC[C@@H]1CCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575274147 949677918 /nfs/dbraw/zinc/67/79/18/949677918.db2.gz ZCUTWXGMDBDNHY-HUUCEWRRSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716337 949689245 /nfs/dbraw/zinc/68/92/45/949689245.db2.gz JPPZNMNFJDCLFE-OLZOCXBDSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574959831 949718426 /nfs/dbraw/zinc/71/84/26/949718426.db2.gz UVDJZEMVFCMQHZ-AEGPPILISA-N 0 1 378.440 1.401 20 0 GDADMN C[C@H](CC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001574478840 949723244 /nfs/dbraw/zinc/72/32/44/949723244.db2.gz BJIGVWAGJCSJJM-DYVFJYSZSA-N 0 1 385.472 1.292 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573818296 949727003 /nfs/dbraw/zinc/72/70/03/949727003.db2.gz KBJKGXFRYLLPKX-CQSZACIVSA-N 0 1 382.428 1.041 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574479009 949727316 /nfs/dbraw/zinc/72/73/16/949727316.db2.gz CBXUGXYHIVNVFZ-UWVGGRQHSA-N 0 1 384.366 1.282 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1(F)CCOCC1 ZINC001573818963 949746661 /nfs/dbraw/zinc/74/66/61/949746661.db2.gz PTELIAIDKGOWGL-AWEZNQCLSA-N 0 1 391.451 1.145 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573820285 949765485 /nfs/dbraw/zinc/76/54/85/949765485.db2.gz XCJFMQNMDGUIEW-AAEUAGOBSA-N 0 1 379.415 1.672 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1ccsc1 ZINC001573820686 949768830 /nfs/dbraw/zinc/76/88/30/949768830.db2.gz YSNLSBOKLSEGJW-LBPRGKRZSA-N 0 1 386.485 1.326 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574720713 949798995 /nfs/dbraw/zinc/79/89/95/949798995.db2.gz GENABHWQCZYXKI-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574720713 949799004 /nfs/dbraw/zinc/79/90/04/949799004.db2.gz GENABHWQCZYXKI-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN CC(C)C[C@H](C)CN1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574139275 949811083 /nfs/dbraw/zinc/81/10/83/949811083.db2.gz JFOBBYVYSOVIRF-KBPBESRZSA-N 0 1 375.477 1.308 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574139530 949819319 /nfs/dbraw/zinc/81/93/19/949819319.db2.gz KCSOBFMXZGJSOO-ZIAGYGMSSA-N 0 1 388.476 1.050 20 0 GDADMN CC(C)(C)C1CC(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573824937 949859182 /nfs/dbraw/zinc/85/91/82/949859182.db2.gz IHCJXINNCIRJKB-WUPBRDTRSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001574142200 949868711 /nfs/dbraw/zinc/86/87/11/949868711.db2.gz XEFOBXIKOTYCNK-QGTPRVQTSA-N 0 1 386.500 1.600 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573825398 949877553 /nfs/dbraw/zinc/87/75/53/949877553.db2.gz UODNZOQMILOKIU-BPCQOVAHSA-N 0 1 392.529 1.567 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574484300 949878941 /nfs/dbraw/zinc/87/89/41/949878941.db2.gz YNOSMZWYAXVPMG-NFAWXSAZSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574724904 949885065 /nfs/dbraw/zinc/88/50/65/949885065.db2.gz LPIHIQVINSIGJU-NSHDSACASA-N 0 1 375.458 1.486 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1ccon1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574724904 949885084 /nfs/dbraw/zinc/88/50/84/949885084.db2.gz LPIHIQVINSIGJU-NSHDSACASA-N 0 1 375.458 1.486 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574484650 949893123 /nfs/dbraw/zinc/89/31/23/949893123.db2.gz LKMKLHAFKSRPJV-OLZOCXBDSA-N 0 1 382.428 1.268 20 0 GDADMN C[C@H](C(=O)[O-])[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC001602819746 971620176 /nfs/dbraw/zinc/62/01/76/971620176.db2.gz GVCKQXGFKAMMCE-SNVBAGLBSA-N 0 1 394.287 1.777 20 0 GDADMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC001602819746 971620183 /nfs/dbraw/zinc/62/01/83/971620183.db2.gz GVCKQXGFKAMMCE-SNVBAGLBSA-N 0 1 394.287 1.777 20 0 GDADMN C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001574489363 949964035 /nfs/dbraw/zinc/96/40/35/949964035.db2.gz JEBZIVGGZJKRQQ-XJKSGUPXSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H](CN(C)C(=O)COC1CCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574727428 949966982 /nfs/dbraw/zinc/96/69/82/949966982.db2.gz SMKNFKKJPNICIZ-CYBMUJFWSA-N 0 1 390.463 1.902 20 0 GDADMN CC(C)(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573831076 949986186 /nfs/dbraw/zinc/98/61/86/949986186.db2.gz SECNTBQOLCTZKL-SFHVURJKSA-N 0 1 392.529 1.808 20 0 GDADMN CC(C)(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573831076 949986206 /nfs/dbraw/zinc/98/62/06/949986206.db2.gz SECNTBQOLCTZKL-SFHVURJKSA-N 0 1 392.529 1.808 20 0 GDADMN CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001575573336 949991993 /nfs/dbraw/zinc/99/19/93/949991993.db2.gz LWBFDTHZCUIPBD-GFCCVEGCSA-N 0 1 378.502 1.465 20 0 GDADMN CC1(C(=O)NC[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)CCCC1 ZINC001575575217 950044101 /nfs/dbraw/zinc/04/41/01/950044101.db2.gz FYEZDMHJASHKQQ-CQSZACIVSA-N 0 1 376.436 1.153 20 0 GDADMN CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573835316 950047852 /nfs/dbraw/zinc/04/78/52/950047852.db2.gz UWXCGLMWIMAYAZ-FQEVSTJZSA-N 0 1 386.500 1.746 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(F)cn1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574151063 950055961 /nfs/dbraw/zinc/05/59/61/950055961.db2.gz KIZQWIDSGSMCOZ-OAHLLOKOSA-N 0 1 386.435 1.663 20 0 GDADMN C[C@H](CC(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001574492291 950073915 /nfs/dbraw/zinc/07/39/15/950073915.db2.gz ABEHDELDMNTXPY-VXNVDRBHSA-N 0 1 385.881 1.302 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574732922 950085193 /nfs/dbraw/zinc/08/51/93/950085193.db2.gz MWKNZDALXFXGAP-PEYYIBSZSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574732922 950085211 /nfs/dbraw/zinc/08/52/11/950085211.db2.gz MWKNZDALXFXGAP-PEYYIBSZSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183613 950098815 /nfs/dbraw/zinc/09/88/15/950098815.db2.gz QPPZRVSSCALZKG-WDEREUQCSA-N 0 1 380.403 1.020 20 0 GDADMN CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574492761 950103435 /nfs/dbraw/zinc/10/34/35/950103435.db2.gz COQXTDBMOJRPDQ-OLZOCXBDSA-N 0 1 384.444 1.418 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001574492964 950106636 /nfs/dbraw/zinc/10/66/36/950106636.db2.gz PUJCSEZTGIJDEX-ZFWWWQNUSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1ccncc1 ZINC001574493293 950122706 /nfs/dbraw/zinc/12/27/06/950122706.db2.gz RZBAOYOQZVEYBK-AWEZNQCLSA-N 0 1 392.467 1.936 20 0 GDADMN CC(C)(C)CC[C@H](CO)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001573843257 950168931 /nfs/dbraw/zinc/16/89/31/950168931.db2.gz TWMBBMMJZKFNNT-SNVBAGLBSA-N 0 1 389.428 1.610 20 0 GDADMN CC1(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CC(F)(F)C1 ZINC001575584753 950178690 /nfs/dbraw/zinc/17/86/90/950178690.db2.gz SAMXTMKZSCVBKB-LLVKDONJSA-N 0 1 392.414 1.567 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001574494787 950185532 /nfs/dbraw/zinc/18/55/32/950185532.db2.gz OKLSINBXMWCWPY-WCQYABFASA-N 0 1 382.428 1.172 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574155665 950208029 /nfs/dbraw/zinc/20/80/29/950208029.db2.gz PRVORUJZFDUEBG-XJKSGUPXSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(F)CCCCC1 ZINC001574155766 950209704 /nfs/dbraw/zinc/20/97/04/950209704.db2.gz RIXXMKKAZAVFHS-ZDUSSCGKSA-N 0 1 390.467 1.694 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2csnn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575902084 950251669 /nfs/dbraw/zinc/25/16/69/950251669.db2.gz SEFBHVVCUJPNOM-SMDDNHRTSA-N 0 1 384.469 1.501 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157966 950264899 /nfs/dbraw/zinc/26/48/99/950264899.db2.gz LZMVBXWSRCCQFB-LBPRGKRZSA-N 0 1 382.428 1.041 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCOC1 ZINC001574158240 950271628 /nfs/dbraw/zinc/27/16/28/950271628.db2.gz PNSBCVAIYMUJSD-GJZGRUSLSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575902904 950274502 /nfs/dbraw/zinc/27/45/02/950274502.db2.gz YCYNSTOMWXSWCK-ABAIWWIYSA-N 0 1 384.419 1.512 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ncccn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575903382 950279340 /nfs/dbraw/zinc/27/93/40/950279340.db2.gz ZSWYOQNPOUUJEX-CZUORRHYSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)(C)OC(=O)N1CCC(CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573852398 950306742 /nfs/dbraw/zinc/30/67/42/950306742.db2.gz HEIBMHKWDVARFX-UHFFFAOYSA-N 0 1 394.501 1.780 20 0 GDADMN CC(C)(C)OC(=O)N1CCC(CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573852398 950306765 /nfs/dbraw/zinc/30/67/65/950306765.db2.gz HEIBMHKWDVARFX-UHFFFAOYSA-N 0 1 394.501 1.780 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001574500358 950312518 /nfs/dbraw/zinc/31/25/18/950312518.db2.gz ZUSJLZDWEUDYLI-NEPJUHHUSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001574500358 950312537 /nfs/dbraw/zinc/31/25/37/950312537.db2.gz ZUSJLZDWEUDYLI-NEPJUHHUSA-N 0 1 390.469 1.282 20 0 GDADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159720 950316597 /nfs/dbraw/zinc/31/65/97/950316597.db2.gz YHDKURXZDNRAID-XJKSGUPXSA-N 0 1 389.508 1.186 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574501244 950328206 /nfs/dbraw/zinc/32/82/06/950328206.db2.gz CCQAYXGMLPOTAL-GJZGRUSLSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(C(F)F)[nH]n1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001574744795 950365237 /nfs/dbraw/zinc/36/52/37/950365237.db2.gz BNLUBQVXJNLOFO-MRVPVSSYSA-N 0 1 377.359 1.495 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)C1 ZINC001576197255 950384595 /nfs/dbraw/zinc/38/45/95/950384595.db2.gz MEMFNXAPYAOYIG-BBRMVZONSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)C1 ZINC001576197255 950384615 /nfs/dbraw/zinc/38/46/15/950384615.db2.gz MEMFNXAPYAOYIG-BBRMVZONSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cnc(Cl)s1 ZINC001574746686 950395206 /nfs/dbraw/zinc/39/52/06/950395206.db2.gz OIHLPQSOISNMFH-MRVPVSSYSA-N 0 1 380.865 1.555 20 0 GDADMN C[C@@H](CC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001574508124 950469738 /nfs/dbraw/zinc/46/97/38/950469738.db2.gz IVLIUNMNRVWXLZ-LBPRGKRZSA-N 0 1 384.419 1.542 20 0 GDADMN CC(C)(C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001573863297 950472015 /nfs/dbraw/zinc/47/20/15/950472015.db2.gz APAYZPVLIFAJJQ-SNVBAGLBSA-N 0 1 383.430 1.345 20 0 GDADMN C[C@@H](CNC(=O)CN1CCC(C)CC1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001576204934 950488937 /nfs/dbraw/zinc/48/89/37/950488937.db2.gz DSJSGRQPNQQTBG-LBPRGKRZSA-N 0 1 392.895 1.564 20 0 GDADMN C[C@H](C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205287 950506875 /nfs/dbraw/zinc/50/68/75/950506875.db2.gz WMUFLFXKKOTTIW-ZIAGYGMSSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575609561 950525560 /nfs/dbraw/zinc/52/55/60/950525560.db2.gz YAOUEAPIBJTNLS-MNVSYLFESA-N 0 1 390.451 1.042 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574509816 950532463 /nfs/dbraw/zinc/53/24/63/950532463.db2.gz YMAZUBSSAVIGBY-GARJFASQSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)ccc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574998883 950565273 /nfs/dbraw/zinc/56/52/73/950565273.db2.gz BXUTUQFZCKRWMF-VIFPVBQESA-N 0 1 390.810 1.349 20 0 GDADMN CC(C)(C)OCC(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001573869472 950565551 /nfs/dbraw/zinc/56/55/51/950565551.db2.gz PRMVRJSKFDODRT-KGLIPLIRSA-N 0 1 385.472 1.362 20 0 GDADMN CC1CCN(CC(=O)NCC2CC(Nc3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576206642 950575666 /nfs/dbraw/zinc/57/56/66/950575666.db2.gz YMKLLBPEJOGCJD-UHFFFAOYSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575918775 950600050 /nfs/dbraw/zinc/60/00/50/950600050.db2.gz FAXZHTFPEZAUFK-FZKQIMNGSA-N 0 1 389.463 1.500 20 0 GDADMN CCN1CCC([N@@H+]2CCCN(C(=O)C3(C(=O)[O-])CCSCC3)CC2)CC1 ZINC001589741763 950612519 /nfs/dbraw/zinc/61/25/19/950612519.db2.gz WGULVRSXVWZBQW-UHFFFAOYSA-N 0 1 383.558 1.603 20 0 GDADMN CCN1CCC([N@H+]2CCCN(C(=O)C3(C(=O)[O-])CCSCC3)CC2)CC1 ZINC001589741763 950612543 /nfs/dbraw/zinc/61/25/43/950612543.db2.gz WGULVRSXVWZBQW-UHFFFAOYSA-N 0 1 383.558 1.603 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccccn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574758738 950615724 /nfs/dbraw/zinc/61/57/24/950615724.db2.gz GALMQRTYNNHQKJ-MRVPVSSYSA-N 0 1 378.849 1.944 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919866 950624482 /nfs/dbraw/zinc/62/44/82/950624482.db2.gz KWJFNCYIODWVLL-RISCZKNCSA-N 0 1 382.403 1.263 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573873374 950643589 /nfs/dbraw/zinc/64/35/89/950643589.db2.gz LVVRJZDVQXQQKH-MRVPVSSYSA-N 0 1 385.881 1.487 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCCc1ccccc1 ZINC001575923258 950656026 /nfs/dbraw/zinc/65/60/26/950656026.db2.gz PZHVZPKBTJWYNN-HOCLYGCPSA-N 0 1 392.467 1.503 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1ccsc1 ZINC001575923522 950662974 /nfs/dbraw/zinc/66/29/74/950662974.db2.gz BTGBIUHHLFJZGG-BXUZGUMPSA-N 0 1 385.453 1.225 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC001575923574 950664777 /nfs/dbraw/zinc/66/47/77/950664777.db2.gz CEIYQRQDPSEKCF-XHDPSFHLSA-N 0 1 389.423 1.275 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCn1cccc1 ZINC001575925861 950693680 /nfs/dbraw/zinc/69/36/80/950693680.db2.gz VPLQLCXBMIFHDM-GOEBONIOSA-N 0 1 380.456 1.367 20 0 GDADMN C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576216214 950725720 /nfs/dbraw/zinc/72/57/20/950725720.db2.gz DCGKFLPGLKQMRQ-BXUZGUMPSA-N 0 1 382.472 1.021 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001575927029 950731494 /nfs/dbraw/zinc/73/14/94/950731494.db2.gz ZSZDBURNZWOCKP-CABZTGNLSA-N 0 1 386.366 1.072 20 0 GDADMN C[C@H](CN(C)C(=O)c1cncnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574763845 950733889 /nfs/dbraw/zinc/73/38/89/950733889.db2.gz MABPCPXCKCJZDU-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001589962065 950743314 /nfs/dbraw/zinc/74/33/14/950743314.db2.gz JNYZLZYVEDITLP-HNNXBMFYSA-N 0 1 385.486 1.094 20 0 GDADMN CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001589962065 950743326 /nfs/dbraw/zinc/74/33/26/950743326.db2.gz JNYZLZYVEDITLP-HNNXBMFYSA-N 0 1 385.486 1.094 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncc1 ZINC001575927764 950756127 /nfs/dbraw/zinc/75/61/27/950756127.db2.gz UBENQMPKKWEMPN-XJKSGUPXSA-N 0 1 378.440 1.113 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncs1 ZINC001575928130 950777494 /nfs/dbraw/zinc/77/74/94/950777494.db2.gz YZBNRBAYTWRVEY-FZMZJTMJSA-N 0 1 384.469 1.174 20 0 GDADMN CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574186506 950811003 /nfs/dbraw/zinc/81/10/03/950811003.db2.gz FLXDHHMNDKMAJW-YOEHRIQHSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccon1 ZINC001575935783 950893386 /nfs/dbraw/zinc/89/33/86/950893386.db2.gz YRWTUKRAXGQALL-RNFRBKRXSA-N 0 1 380.821 1.680 20 0 GDADMN CC(C)c1ocnc1CN[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527657 950898884 /nfs/dbraw/zinc/89/88/84/950898884.db2.gz FNIOVIRGCUKFHT-NWDGAFQWSA-N 0 1 386.460 1.993 20 0 GDADMN CC(C)c1ocnc1CN[C@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527656 950901191 /nfs/dbraw/zinc/90/11/91/950901191.db2.gz FNIOVIRGCUKFHT-NEPJUHHUSA-N 0 1 386.460 1.993 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)c1ncccc1[O-] ZINC001574527992 950917044 /nfs/dbraw/zinc/91/70/44/950917044.db2.gz JNFPVKQZSYWPFB-GHMZBOCLSA-N 0 1 387.469 1.716 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ncccc1O ZINC001574527992 950917055 /nfs/dbraw/zinc/91/70/55/950917055.db2.gz JNFPVKQZSYWPFB-GHMZBOCLSA-N 0 1 387.469 1.716 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)c1ncccc1[O-] ZINC001574528638 950938096 /nfs/dbraw/zinc/93/80/96/950938096.db2.gz NVAHAJZFQCNNOR-CHWSQXEVSA-N 0 1 381.440 1.654 20 0 GDADMN CC(C)(CC(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C1CC1 ZINC001573896232 950947086 /nfs/dbraw/zinc/94/70/86/950947086.db2.gz GWLMOUIORGFHAW-ZDUSSCGKSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576229877 950983386 /nfs/dbraw/zinc/98/33/86/950983386.db2.gz ONJGOCSTBWDRJR-HIFRSBDPSA-N 0 1 385.472 1.007 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575644736 950994289 /nfs/dbraw/zinc/99/42/89/950994289.db2.gz WQBIMWWXRQFYOR-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575644736 950994304 /nfs/dbraw/zinc/99/43/04/950994304.db2.gz WQBIMWWXRQFYOR-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001575017409 950994501 /nfs/dbraw/zinc/99/45/01/950994501.db2.gz FHGMTAXRVBCLFZ-GFCCVEGCSA-N 0 1 380.456 1.607 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1ccsn1 ZINC001574774606 951005922 /nfs/dbraw/zinc/00/59/22/951005922.db2.gz DSUIXSCOYSSOHG-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575019431 951038338 /nfs/dbraw/zinc/03/83/38/951038338.db2.gz SZCWFSWFGQOEGC-QMMMGPOBSA-N 0 1 392.345 1.386 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)C[C@@H](O)C2CC2)c(C(=O)[O-])c1C ZINC001591426650 951140009 /nfs/dbraw/zinc/14/00/09/951140009.db2.gz STQCHLXJWDSNRT-LLVKDONJSA-N 0 1 384.454 1.573 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)C[C@@H](O)C2CC2)c(C(=O)[O-])c1C ZINC001591426650 951140014 /nfs/dbraw/zinc/14/00/14/951140014.db2.gz STQCHLXJWDSNRT-LLVKDONJSA-N 0 1 384.454 1.573 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)C[C@@H](C)C(=O)NC)c(C(=O)[O-])c1C ZINC001591427011 951142198 /nfs/dbraw/zinc/14/21/98/951142198.db2.gz YVVGTFOBOFCHHX-SECBINFHSA-N 0 1 399.469 1.184 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)NC)c(C(=O)[O-])c1C ZINC001591427011 951142210 /nfs/dbraw/zinc/14/22/10/951142210.db2.gz YVVGTFOBOFCHHX-SECBINFHSA-N 0 1 399.469 1.184 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2ncn(C)c21)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575028168 951169339 /nfs/dbraw/zinc/16/93/39/951169339.db2.gz LVXVLHYNBCOBIZ-LBPRGKRZSA-N 0 1 391.439 1.403 20 0 GDADMN CC(C)c1ccccc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575028945 951178918 /nfs/dbraw/zinc/17/89/18/951178918.db2.gz QBMJPGDKBUSVCW-ZDUSSCGKSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575029583 951186804 /nfs/dbraw/zinc/18/68/04/951186804.db2.gz VXRSNKUFEWJCLK-GFCCVEGCSA-N 0 1 378.440 1.361 20 0 GDADMN C[C@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575036520 951294902 /nfs/dbraw/zinc/29/49/02/951294902.db2.gz UCYHHQXGSBAECS-MRVPVSSYSA-N 0 1 382.400 1.428 20 0 GDADMN C[C@H](CNC(=O)c1ccn(C(F)F)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575036520 951294914 /nfs/dbraw/zinc/29/49/14/951294914.db2.gz UCYHHQXGSBAECS-MRVPVSSYSA-N 0 1 382.400 1.428 20 0 GDADMN COC[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390459040 951379957 /nfs/dbraw/zinc/37/99/57/951379957.db2.gz BHHMUKNEYKPQAE-PXNSSMCTSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394208982 951448943 /nfs/dbraw/zinc/44/89/43/951448943.db2.gz CZLWHBAYLYOULW-MAUKXSAKSA-N 0 1 395.525 1.528 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575047151 951451735 /nfs/dbraw/zinc/45/17/35/951451735.db2.gz XZSHZJYOOGUWDP-LLVKDONJSA-N 0 1 384.419 1.057 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C)c1Cl)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575054218 951488986 /nfs/dbraw/zinc/48/89/86/951488986.db2.gz XPDZIJXVWBXDGN-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575056316 951517794 /nfs/dbraw/zinc/51/77/94/951517794.db2.gz HHWRGRNSQCVZAO-SECBINFHSA-N 0 1 385.457 1.245 20 0 GDADMN C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575056202 951517877 /nfs/dbraw/zinc/51/78/77/951517877.db2.gz GNEDQCSCTZRJMX-VIFPVBQESA-N 0 1 377.355 1.692 20 0 GDADMN C[C@H](CNC(=O)c1nccs1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067189 951603971 /nfs/dbraw/zinc/60/39/71/951603971.db2.gz JUUKSEPHJKKJPX-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)C1=O ZINC001595074194 951626540 /nfs/dbraw/zinc/62/65/40/951626540.db2.gz NKMKMOWSTQONII-HOTGVXAUSA-N 0 1 381.473 1.585 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)C1=O ZINC001595074194 951626544 /nfs/dbraw/zinc/62/65/44/951626544.db2.gz NKMKMOWSTQONII-HOTGVXAUSA-N 0 1 381.473 1.585 20 0 GDADMN C[C@@H](CNC(=O)c1sccc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575070590 951651821 /nfs/dbraw/zinc/65/18/21/951651821.db2.gz RZSKGAPLWYHQJD-SNVBAGLBSA-N 0 1 384.469 1.496 20 0 GDADMN C[C@H](CNC(=O)c1sccc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575070589 951652270 /nfs/dbraw/zinc/65/22/70/951652270.db2.gz RZSKGAPLWYHQJD-JTQLQIEISA-N 0 1 384.469 1.496 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575090954 951766069 /nfs/dbraw/zinc/76/60/69/951766069.db2.gz ONNCSKFOQKYUBQ-KRWDZBQOSA-N 0 1 386.485 1.199 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575090954 951766077 /nfs/dbraw/zinc/76/60/77/951766077.db2.gz ONNCSKFOQKYUBQ-KRWDZBQOSA-N 0 1 386.485 1.199 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098733 951826001 /nfs/dbraw/zinc/82/60/01/951826001.db2.gz FSLGIZCNHQZXGG-LLVKDONJSA-N 0 1 375.458 1.391 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccon1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098733 951826007 /nfs/dbraw/zinc/82/60/07/951826007.db2.gz FSLGIZCNHQZXGG-LLVKDONJSA-N 0 1 375.458 1.391 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575099339 951831988 /nfs/dbraw/zinc/83/19/88/951831988.db2.gz KIOHAOBXIZPWKC-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575099339 951831996 /nfs/dbraw/zinc/83/19/96/951831996.db2.gz KIOHAOBXIZPWKC-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100932 951849513 /nfs/dbraw/zinc/84/95/13/951849513.db2.gz XBSJLJKNVKZAHU-CYBMUJFWSA-N 0 1 386.481 1.849 20 0 GDADMN C[C@@H](CNC(=O)COc1ccccc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100932 951849518 /nfs/dbraw/zinc/84/95/18/951849518.db2.gz XBSJLJKNVKZAHU-CYBMUJFWSA-N 0 1 386.481 1.849 20 0 GDADMN C[C@H](CNCc1nnc(C2CC2)s1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117805 951981499 /nfs/dbraw/zinc/98/14/99/951981499.db2.gz PWWRWJRQDICSNP-SECBINFHSA-N 0 1 387.473 1.079 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1ccsc1-c1nn[nH]n1)Oc1ccccc1F ZINC001575118856 951986287 /nfs/dbraw/zinc/98/62/87/951986287.db2.gz UNLCEYCWRYHZHW-VIFPVBQESA-N 0 1 383.430 1.813 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575140730 952143723 /nfs/dbraw/zinc/14/37/23/952143723.db2.gz FUAMLGKDCIKLHH-ZDUSSCGKSA-N 0 1 392.467 1.069 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001575143636 952155838 /nfs/dbraw/zinc/15/58/38/952155838.db2.gz QFTAKVIGMPKYFS-RDBSUJKOSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575143633 952156378 /nfs/dbraw/zinc/15/63/78/952156378.db2.gz BWGWOOQBHIZEGU-NSHDSACASA-N 0 1 382.428 1.123 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575143704 952156427 /nfs/dbraw/zinc/15/64/27/952156427.db2.gz CCXZAGZLDXGDTI-KUHUBIRLSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575143964 952159154 /nfs/dbraw/zinc/15/91/54/952159154.db2.gz STIQMRZQASFPKA-PTAUBWNISA-N 0 1 382.472 1.212 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc(F)c1Cl ZINC001575144659 952169544 /nfs/dbraw/zinc/16/95/44/952169544.db2.gz KARYJEMGZZRGEV-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575144739 952171041 /nfs/dbraw/zinc/17/10/41/952171041.db2.gz XTEGMPDKEJRQNX-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575144818 952172725 /nfs/dbraw/zinc/17/27/25/952172725.db2.gz MDRXKWVUDUNIHE-LJQANCHMSA-N 0 1 378.440 1.018 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575145325 952182226 /nfs/dbraw/zinc/18/22/26/952182226.db2.gz VSXZKUZMVYBOKM-IBGZPJMESA-N 0 1 381.415 1.833 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCc1ccccn1)C1CC1 ZINC001575145408 952183276 /nfs/dbraw/zinc/18/32/76/952183276.db2.gz XGBSKSZBIYYQMI-HXUWFJFHSA-N 0 1 392.467 1.408 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575145500 952185512 /nfs/dbraw/zinc/18/55/12/952185512.db2.gz YSEZNFSIMNXGMR-LJQANCHMSA-N 0 1 380.456 1.272 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575153375 952208955 /nfs/dbraw/zinc/20/89/55/952208955.db2.gz GSKXPPQZNXRLKM-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575153375 952208961 /nfs/dbraw/zinc/20/89/61/952208961.db2.gz GSKXPPQZNXRLKM-ZFWWWQNUSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C1CCOCC1 ZINC001575164102 952286966 /nfs/dbraw/zinc/28/69/66/952286966.db2.gz BLFXZQKERKVTRJ-QMMMGPOBSA-N 0 1 385.881 1.662 20 0 GDADMN OCC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1Br ZINC001571119611 952493733 /nfs/dbraw/zinc/49/37/33/952493733.db2.gz DCVDXCXVDXQLAF-LLVKDONJSA-N 0 1 376.218 1.377 20 0 GDADMN CC[C@H](SC)C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571119834 952495216 /nfs/dbraw/zinc/49/52/16/952495216.db2.gz FCTLQDWSZWMYMM-HNNXBMFYSA-N 0 1 375.502 1.476 20 0 GDADMN O=C(c1ccsc1Cl)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571120705 952506736 /nfs/dbraw/zinc/50/67/36/952506736.db2.gz OHEPNELZKQAYHD-SECBINFHSA-N 0 1 375.845 1.725 20 0 GDADMN CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2)CC1 ZINC001571121010 952513760 /nfs/dbraw/zinc/51/37/60/952513760.db2.gz UTZPBGOZJDFQKJ-BETUJISGSA-N 0 1 375.502 1.217 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001575203371 952520574 /nfs/dbraw/zinc/52/05/74/952520574.db2.gz VDGIVDAURJYHJT-YWPYICTPSA-N 0 1 381.444 1.122 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001575203360 952520623 /nfs/dbraw/zinc/52/06/23/952520623.db2.gz UWWXJSOBXUEMIF-GXTWGEPZSA-N 0 1 381.444 1.267 20 0 GDADMN O=C(c1cnns1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571121921 952521837 /nfs/dbraw/zinc/52/18/37/952521837.db2.gz FBWYTKMQSISGRM-VIFPVBQESA-N 0 1 376.471 1.174 20 0 GDADMN O=C(c1cnns1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571121921 952521840 /nfs/dbraw/zinc/52/18/40/952521840.db2.gz FBWYTKMQSISGRM-VIFPVBQESA-N 0 1 376.471 1.174 20 0 GDADMN COCC(=O)N1CCC[C@@H](CN(C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571121870 952521980 /nfs/dbraw/zinc/52/19/80/952521980.db2.gz CZNUUZWXMZNLOJ-ZDUSSCGKSA-N 0 1 376.436 1.323 20 0 GDADMN C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123135 952528900 /nfs/dbraw/zinc/52/89/00/952528900.db2.gz PYEXGEDMQJFUDV-ZJQBRPOHSA-N 0 1 376.486 1.338 20 0 GDADMN C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123135 952528905 /nfs/dbraw/zinc/52/89/05/952528905.db2.gz PYEXGEDMQJFUDV-ZJQBRPOHSA-N 0 1 376.486 1.338 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571124185 952535370 /nfs/dbraw/zinc/53/53/70/952535370.db2.gz AIOUOSWKHFYJOH-RWMBFGLXSA-N 0 1 377.399 1.699 20 0 GDADMN O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccccn1 ZINC001571127896 952562479 /nfs/dbraw/zinc/56/24/79/952562479.db2.gz MCYPBJNNHANHOT-INIZCTEOSA-N 0 1 377.452 1.904 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001575214167 952563063 /nfs/dbraw/zinc/56/30/63/952563063.db2.gz JTDGOMBYMMKDPL-TXEJJXNPSA-N 0 1 391.426 1.838 20 0 GDADMN Cc1ncccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571128922 952572435 /nfs/dbraw/zinc/57/24/35/952572435.db2.gz YTCXXONUCOSXNI-HNNXBMFYSA-N 0 1 377.452 1.822 20 0 GDADMN Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001571134271 952588362 /nfs/dbraw/zinc/58/83/62/952588362.db2.gz GWCCKDHYYBYKIN-OAHLLOKOSA-N 0 1 378.440 1.494 20 0 GDADMN Cc1cccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1C ZINC001571134474 952591109 /nfs/dbraw/zinc/59/11/09/952591109.db2.gz IRCWBFMJVAOXAE-IUODEOHRSA-N 0 1 378.440 1.528 20 0 GDADMN Cc1cc(C)cc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571135165 952600289 /nfs/dbraw/zinc/60/02/89/952600289.db2.gz QLZMRPDOULGRHW-AWEZNQCLSA-N 0 1 378.440 1.530 20 0 GDADMN C[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571140253 952624990 /nfs/dbraw/zinc/62/49/90/952624990.db2.gz PGYRGVRWEKKINI-RYUDHWBXSA-N 0 1 379.415 1.777 20 0 GDADMN Cc1coc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc(C)[nH+]cc2-c2nnn[n-]2)c1 ZINC001571140765 952628503 /nfs/dbraw/zinc/62/85/03/952628503.db2.gz FURPQIFETORINC-OKILXGFUSA-N 0 1 379.424 1.965 20 0 GDADMN COc1ccnc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)c1 ZINC001571140738 952628546 /nfs/dbraw/zinc/62/85/46/952628546.db2.gz FHXVCQNWGNGNDN-AWEZNQCLSA-N 0 1 379.424 1.275 20 0 GDADMN CCOc1ccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571140779 952628845 /nfs/dbraw/zinc/62/88/45/952628845.db2.gz GKSVBPXTAGLCDE-AWEZNQCLSA-N 0 1 379.424 1.409 20 0 GDADMN C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571141015 952630611 /nfs/dbraw/zinc/63/06/11/952630611.db2.gz FOCKCPNMWFCENY-APPZFPTMSA-N 0 1 378.849 1.877 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141083 952630681 /nfs/dbraw/zinc/63/06/81/952630681.db2.gz GPTSDRFAFZOHHJ-CHWSQXEVSA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141083 952630682 /nfs/dbraw/zinc/63/06/82/952630682.db2.gz GPTSDRFAFZOHHJ-CHWSQXEVSA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141083 952630686 /nfs/dbraw/zinc/63/06/86/952630686.db2.gz GPTSDRFAFZOHHJ-CHWSQXEVSA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141083 952630689 /nfs/dbraw/zinc/63/06/89/952630689.db2.gz GPTSDRFAFZOHHJ-CHWSQXEVSA-N 0 1 378.502 1.634 20 0 GDADMN Cc1c(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)ccn1C ZINC001571150401 952667235 /nfs/dbraw/zinc/66/72/35/952667235.db2.gz ACPGHVKSJSXATQ-QGZVFWFLSA-N 0 1 379.468 1.908 20 0 GDADMN O=C(N[C@]12CCC[C@@H]1N(Cc1cc(F)ccc1-c1nn[nH]n1)CC2)C(F)F ZINC001571152670 952684062 /nfs/dbraw/zinc/68/40/62/952684062.db2.gz JSPRUKSCGSIKMT-GUYCJALGSA-N 0 1 380.374 1.884 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccoc1C1CC1 ZINC001571155114 952692603 /nfs/dbraw/zinc/69/26/03/952692603.db2.gz ICBGQSWJSDCPQR-ZYHUDNBSSA-N 0 1 380.412 1.264 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3conc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158330 952710896 /nfs/dbraw/zinc/71/08/96/952710896.db2.gz HKRFWUATKDQXEU-LBPRGKRZSA-N 0 1 380.412 1.184 20 0 GDADMN Cc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571169430 952773667 /nfs/dbraw/zinc/77/36/67/952773667.db2.gz CEVVCYZIYGTHIM-CZUORRHYSA-N 0 1 380.456 1.994 20 0 GDADMN CCn1cccc1C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571169752 952778286 /nfs/dbraw/zinc/77/82/86/952778286.db2.gz LXSANJUPSZUNES-ZIAGYGMSSA-N 0 1 380.456 1.585 20 0 GDADMN Cc1cccnc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C ZINC001571169805 952779436 /nfs/dbraw/zinc/77/94/36/952779436.db2.gz NZRNTRVUUBBCHR-HIFRSBDPSA-N 0 1 380.456 1.681 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571170550 952786756 /nfs/dbraw/zinc/78/67/56/952786756.db2.gz WIPWQXLDBJHMES-CQSZACIVSA-N 0 1 380.456 1.616 20 0 GDADMN F[C@H]1C[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3Br)CCN2C1 ZINC001571172299 952806026 /nfs/dbraw/zinc/80/60/26/952806026.db2.gz SHLAMESPOOSTCB-STQMWFEESA-N 0 1 381.253 1.857 20 0 GDADMN O=C(c1cocn1)N1CCC(Nc2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571172507 952806738 /nfs/dbraw/zinc/80/67/38/952806738.db2.gz VLNQSDKRVDWFDW-UHFFFAOYSA-N 0 1 380.821 1.681 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571178197 952835789 /nfs/dbraw/zinc/83/57/89/952835789.db2.gz AYGHWVHBIJDADY-OLZOCXBDSA-N 0 1 381.415 1.643 20 0 GDADMN Cc1cc(N[C@H]2CCC[C@H](NC(=O)Cc3ccoc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180574 952860460 /nfs/dbraw/zinc/86/04/60/952860460.db2.gz QTQTXOCUHMKBST-GJZGRUSLSA-N 0 1 381.440 1.667 20 0 GDADMN CCc1cc(C(=O)N2C[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)[C@H](C)C2)n[nH]1 ZINC001571183588 952879867 /nfs/dbraw/zinc/87/98/67/952879867.db2.gz FJQOWFXNQGKLPP-DGCLKSJQSA-N 0 1 381.444 1.367 20 0 GDADMN CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571184418 952894382 /nfs/dbraw/zinc/89/43/82/952894382.db2.gz YUWCTGFTKVICAJ-IUODEOHRSA-N 0 1 381.444 1.034 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@H](C)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571185270 952901046 /nfs/dbraw/zinc/90/10/46/952901046.db2.gz KGGLCPYVJHKSMO-DGCLKSJQSA-N 0 1 381.444 1.328 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCN(C(=O)Cc3ccn[nH]3)[C@@H](C)C2)n1 ZINC001571187640 952909239 /nfs/dbraw/zinc/90/92/39/952909239.db2.gz ABIHKRLQLFOFKV-QWHCGFSZSA-N 0 1 381.444 1.327 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)c3ccn(C)n3)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188144 952912368 /nfs/dbraw/zinc/91/23/68/952912368.db2.gz GSWRIHDRBNBBQB-GXTWGEPZSA-N 0 1 381.444 1.091 20 0 GDADMN Cc1cc(CNC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)ncn1 ZINC001571188900 952921731 /nfs/dbraw/zinc/92/17/31/952921731.db2.gz PDJZNIBCPNBJKD-HNNXBMFYSA-N 0 1 381.444 1.078 20 0 GDADMN Cc1ncc(C(=O)N2C[C@@H](C)[C@@H](CNc3nc(C)ccc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189023 952922630 /nfs/dbraw/zinc/92/26/30/952922630.db2.gz PUAJDHMCKZIJJV-MFKMUULPSA-N 0 1 381.444 1.422 20 0 GDADMN Cc1nc(N[C@H]2C[C@@H](C)N(C(=O)CCc3cnc[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189132 952925345 /nfs/dbraw/zinc/92/53/45/952925345.db2.gz MVIJJXGRKKPZCX-RISCZKNCSA-N 0 1 381.444 1.327 20 0 GDADMN CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571201119 953015295 /nfs/dbraw/zinc/01/52/95/953015295.db2.gz MZFIKHPRRFDHJY-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)no1 ZINC001571201352 953017705 /nfs/dbraw/zinc/01/77/05/953017705.db2.gz KOOYVRXFUYBVFX-AAEUAGOBSA-N 0 1 382.428 1.190 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)on1 ZINC001571201633 953018804 /nfs/dbraw/zinc/01/88/04/953018804.db2.gz MAWXZLLATHIEBV-GXTWGEPZSA-N 0 1 382.428 1.381 20 0 GDADMN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571201999 953022240 /nfs/dbraw/zinc/02/22/40/953022240.db2.gz UGTYYNQOGQFLFJ-UHIISALHSA-N 0 1 382.428 1.391 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571202099 953022783 /nfs/dbraw/zinc/02/27/83/953022783.db2.gz VGDIHICXFXETBC-CYBMUJFWSA-N 0 1 382.428 1.167 20 0 GDADMN Cc1conc1C(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571202111 953023259 /nfs/dbraw/zinc/02/32/59/953023259.db2.gz RBPDXGAYCPFSBW-JOCQHMNTSA-N 0 1 382.428 1.381 20 0 GDADMN Cc1conc1C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202546 953026288 /nfs/dbraw/zinc/02/62/88/953026288.db2.gz UREBLLILLVCIMM-CYBMUJFWSA-N 0 1 382.428 1.465 20 0 GDADMN Cc1conc1C(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571202549 953026428 /nfs/dbraw/zinc/02/64/28/953026428.db2.gz UREBLLILLVCIMM-ZDUSSCGKSA-N 0 1 382.428 1.465 20 0 GDADMN Cc1occc1C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205008 953034401 /nfs/dbraw/zinc/03/44/01/953034401.db2.gz FKWXTIWLBJTVDK-DGCLKSJQSA-N 0 1 382.428 1.190 20 0 GDADMN Cc1oncc1CN1C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@]2(C)C1 ZINC001571205367 953037531 /nfs/dbraw/zinc/03/75/31/953037531.db2.gz IEYLUPRIGOWOEX-ACJLOTCBSA-N 0 1 382.428 1.085 20 0 GDADMN O=C(NC[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1)[C@@H]1CC12CC2 ZINC001571209986 953069751 /nfs/dbraw/zinc/06/97/51/953069751.db2.gz KSBZPGBUBRBUIS-SJORKVTESA-N 0 1 382.468 1.374 20 0 GDADMN C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571210580 953072725 /nfs/dbraw/zinc/07/27/25/953072725.db2.gz SVTRVDSTTRGNDF-JOYOIKCWSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571210580 953072727 /nfs/dbraw/zinc/07/27/27/953072727.db2.gz SVTRVDSTTRGNDF-JOYOIKCWSA-N 0 1 382.440 1.910 20 0 GDADMN C[C@@]1(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211752 953080300 /nfs/dbraw/zinc/08/03/00/953080300.db2.gz FCIVYARROVUILT-ZYKCCNLVSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H]1CC[C@@H](NC(=O)C(C2CC2)C2CC2)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571211733 953080369 /nfs/dbraw/zinc/08/03/69/953080369.db2.gz DPZUOJQLTISOGR-BXUZGUMPSA-N 0 1 382.472 1.566 20 0 GDADMN CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571212457 953088069 /nfs/dbraw/zinc/08/80/69/953088069.db2.gz MAENUTWJTTVHBC-VHDGCEQUSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@]1(NC(=O)C2CCC3(CC3)CC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571212566 953089361 /nfs/dbraw/zinc/08/93/61/953089361.db2.gz NEVDWTAZRGWENM-GOSISDBHSA-N 0 1 382.472 1.712 20 0 GDADMN CN(CC1CCN(C(=O)[C@H]2CC23CCC3)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571213273 953094073 /nfs/dbraw/zinc/09/40/73/953094073.db2.gz QQTRXEDDEMAYLJ-CQSZACIVSA-N 0 1 382.472 1.522 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCCC[C@@H]2NC(=O)c2cnn[nH]2)n1 ZINC001571213763 953097328 /nfs/dbraw/zinc/09/73/28/953097328.db2.gz VLFHRMODWPUIRJ-YPMHNXCESA-N 0 1 382.432 1.089 20 0 GDADMN O=C(NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC2(CCC2)C1 ZINC001571217305 953107098 /nfs/dbraw/zinc/10/70/98/953107098.db2.gz FCRWRXQYOVHRSH-UHFFFAOYSA-N 0 1 382.472 1.570 20 0 GDADMN O=C(c1cscn1)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571217979 953111510 /nfs/dbraw/zinc/11/15/10/953111510.db2.gz JXAFNKWJEXKQBG-UHFFFAOYSA-N 0 1 382.862 1.396 20 0 GDADMN CC(=O)c1cc(-c2nn[nH]n2)ccc1NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC001571219007 953121766 /nfs/dbraw/zinc/12/17/66/953121766.db2.gz JHTKKRVEVOTANE-UHFFFAOYSA-N 0 1 383.412 1.396 20 0 GDADMN Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)CC[C@H]2CCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232141 953186109 /nfs/dbraw/zinc/18/61/09/953186109.db2.gz BUEZFNXKJWATCW-SOUVJXGZSA-N 0 1 383.456 1.319 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)C1CCOCC1 ZINC001571234643 953203952 /nfs/dbraw/zinc/20/39/52/953203952.db2.gz FAEWBBBNWKVCSW-KYZUINATSA-N 0 1 383.865 1.462 20 0 GDADMN CC(C)(CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)[N@H+]1CCc2ccccc2C1 ZINC001602944225 971914915 /nfs/dbraw/zinc/91/49/15/971914915.db2.gz LLCJQYBVIFWHIB-QGZVFWFLSA-N 0 1 387.480 1.263 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001571244595 953265250 /nfs/dbraw/zinc/26/52/50/953265250.db2.gz 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Cc1nocc1CN1CCC([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571248844 953298084 /nfs/dbraw/zinc/29/80/84/953298084.db2.gz KERWBVXINKRWIC-LLVKDONJSA-N 0 1 384.444 1.522 20 0 GDADMN CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249064 953301004 /nfs/dbraw/zinc/30/10/04/953301004.db2.gz CEUTWCQHQHHDPL-RRFJBIMHSA-N 0 1 384.488 1.672 20 0 GDADMN CCC1(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001571250072 953308478 /nfs/dbraw/zinc/30/84/78/953308478.db2.gz NSHLWDGUGJJXMG-UONOGXRCSA-N 0 1 384.488 1.698 20 0 GDADMN C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001571252343 953327327 /nfs/dbraw/zinc/32/73/27/953327327.db2.gz LMGSXQKGZYADAV-IIAWOOMASA-N 0 1 384.488 1.585 20 0 GDADMN CN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[nH]n2)CC1 ZINC001571252343 953327333 /nfs/dbraw/zinc/32/73/33/953327333.db2.gz LMGSXQKGZYADAV-IIAWOOMASA-N 0 1 384.488 1.585 20 0 GDADMN CN(C[C@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1)c1ccnc(-c2nn[nH]n2)n1 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GWBRTXMQCCLMSO-UHFFFAOYSA-N 0 1 381.345 1.576 20 0 GDADMN Cc1nn(C)c2nc(C)c(CCC(=O)OC[C@H]3CCC[N@H+]3CC(=O)[O-])c(C)c12 ZINC000821181485 598213212 /nfs/dbraw/zinc/21/32/12/598213212.db2.gz GTXTZOZBOUGNBC-OAHLLOKOSA-N 0 1 388.468 1.918 20 0 GDADMN CC[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)C1 ZINC000736403534 598233085 /nfs/dbraw/zinc/23/30/85/598233085.db2.gz WADJGVMXJZCYNK-BFUOFWGJSA-N 0 1 383.456 1.713 20 0 GDADMN COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)CN1CC[C@@H](C)C1 ZINC000736988147 598254691 /nfs/dbraw/zinc/25/46/91/598254691.db2.gz PYZIRNOWCOWAHA-GFCCVEGCSA-N 0 1 375.477 1.602 20 0 GDADMN CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC000735882833 598268599 /nfs/dbraw/zinc/26/85/99/598268599.db2.gz UCLIRZLITUXKPJ-CQSZACIVSA-N 0 1 387.492 1.093 20 0 GDADMN C[C@@H]1CN(CCCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C[C@@H](C)O1 ZINC000736284610 598317356 /nfs/dbraw/zinc/31/73/56/598317356.db2.gz BTVGWXBISVYIGK-CHWSQXEVSA-N 0 1 391.451 1.304 20 0 GDADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000737489127 598321085 /nfs/dbraw/zinc/32/10/85/598321085.db2.gz WDUQEPAMPNCZBF-UHFFFAOYSA-N 0 1 396.386 1.230 20 0 GDADMN O[C@@H](CN1CCN(c2nc3c(cc2-c2nn[nH]n2)CCC3)CC1)c1ccccc1 ZINC000738381363 598335000 /nfs/dbraw/zinc/33/50/00/598335000.db2.gz LAKGZJLTGWJMRJ-IBGZPJMESA-N 0 1 391.479 1.606 20 0 GDADMN Cn1c(Sc2nccnc2-c2nn[nH]n2)nnc1[C@@H]1COc2ccccc2O1 ZINC000737592137 598339616 /nfs/dbraw/zinc/33/96/16/598339616.db2.gz KFSILQOWBIBFDD-NSHDSACASA-N 0 1 395.408 1.449 20 0 GDADMN CCc1nc(CCNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)cs1 ZINC000736700952 598359668 /nfs/dbraw/zinc/35/96/68/598359668.db2.gz WGBLUVSUFNLNTC-UHFFFAOYSA-N 0 1 391.482 1.681 20 0 GDADMN O=C(COc1cccnc1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737930892 598376545 /nfs/dbraw/zinc/37/65/45/598376545.db2.gz SOMOKSMQIJYERS-UHFFFAOYSA-N 0 1 393.451 1.375 20 0 GDADMN c1nc2c(c(N3CCN(c4oc(C5CC5)nc4-c4nn[nH]n4)CC3)n1)CCC2 ZINC000738452575 598378083 /nfs/dbraw/zinc/37/80/83/598378083.db2.gz QBUGKRMQGAJYFH-UHFFFAOYSA-N 0 1 379.428 1.337 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000737187470 598410732 /nfs/dbraw/zinc/41/07/32/598410732.db2.gz RVEAZKRXQKJKPI-NSHDSACASA-N 0 1 397.464 1.698 20 0 GDADMN C[C@@H](NCc1cccc(-c2nn[nH]n2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000736136838 598466795 /nfs/dbraw/zinc/46/67/95/598466795.db2.gz UDSALQASHFRIIF-CYBMUJFWSA-N 0 1 386.481 1.968 20 0 GDADMN CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccnc1-c1nnn[n-]1 ZINC000736792566 598487276 /nfs/dbraw/zinc/48/72/76/598487276.db2.gz SDZCAEULNYNAMG-QGZVFWFLSA-N 0 1 394.483 1.539 20 0 GDADMN CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccnc1-c1nn[n-]n1 ZINC000736792566 598487278 /nfs/dbraw/zinc/48/72/78/598487278.db2.gz SDZCAEULNYNAMG-QGZVFWFLSA-N 0 1 394.483 1.539 20 0 GDADMN CN1CCN(C[C@H](NC(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccc2)CC1 ZINC000736865179 598499670 /nfs/dbraw/zinc/49/96/70/598499670.db2.gz WNTYKCQTDAYCEP-IBGZPJMESA-N 0 1 391.479 1.585 20 0 GDADMN O=C(CN1CCC[C@@H](C2OCCO2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737874336 598553049 /nfs/dbraw/zinc/55/30/49/598553049.db2.gz AWEVEHFFWIIOKW-LLVKDONJSA-N 0 1 392.847 1.544 20 0 GDADMN CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736747021 598580029 /nfs/dbraw/zinc/58/00/29/598580029.db2.gz KYAJZDVFPNCHIB-UHFFFAOYSA-N 0 1 378.868 1.270 20 0 GDADMN CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736747021 598580031 /nfs/dbraw/zinc/58/00/31/598580031.db2.gz KYAJZDVFPNCHIB-UHFFFAOYSA-N 0 1 378.868 1.270 20 0 GDADMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCn1ncc(-c2nn[nH]n2)c1N ZINC000737196541 598601535 /nfs/dbraw/zinc/60/15/35/598601535.db2.gz OYRHFBLULICJGH-UHFFFAOYSA-N 0 1 379.384 1.201 20 0 GDADMN COc1cccc2c1OC[C@H]([NH2+]Cc1cnc3c(-c4nnn[n-]4)cnn3c1)C2 ZINC000737142168 598617678 /nfs/dbraw/zinc/61/76/78/598617678.db2.gz IFWCHFZRILKEIP-CYBMUJFWSA-N 0 1 378.396 1.011 20 0 GDADMN COc1cccc2c1OC[C@H]([NH2+]Cc1cnc3c(-c4nn[n-]n4)cnn3c1)C2 ZINC000737142168 598617680 /nfs/dbraw/zinc/61/76/80/598617680.db2.gz IFWCHFZRILKEIP-CYBMUJFWSA-N 0 1 378.396 1.011 20 0 GDADMN C[NH+](C)[C@H]1CCCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000736757567 598621371 /nfs/dbraw/zinc/62/13/71/598621371.db2.gz URKUZKGRGMLOBQ-HNNXBMFYSA-N 0 1 395.471 1.017 20 0 GDADMN C[NH+](C)[C@H]1CCCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000736757567 598621372 /nfs/dbraw/zinc/62/13/72/598621372.db2.gz URKUZKGRGMLOBQ-HNNXBMFYSA-N 0 1 395.471 1.017 20 0 GDADMN Cc1cc(C(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c(C)n1CC(F)(F)F ZINC000737228161 598675811 /nfs/dbraw/zinc/67/58/11/598675811.db2.gz VZXGRCMTHGQMGZ-UHFFFAOYSA-N 0 1 380.330 1.892 20 0 GDADMN C[C@](CO)(NCC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)c1ccccc1 ZINC000736026954 598701000 /nfs/dbraw/zinc/70/10/00/598701000.db2.gz SOPXKOAIPABRRF-GOSISDBHSA-N 0 1 386.843 1.956 20 0 GDADMN Cn1cnc2c1CCN(CCC(=O)Nc1ccc(-c3nn[nH]n3)c(Cl)c1)C2 ZINC000737618734 598709913 /nfs/dbraw/zinc/70/99/13/598709913.db2.gz LHMARUUWEAMUKG-UHFFFAOYSA-N 0 1 386.847 1.641 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3c2cccc3O)cc1-c1nn[nH]n1 ZINC000737186626 598720099 /nfs/dbraw/zinc/72/00/99/598720099.db2.gz KGQVDKDORNMLAS-GFCCVEGCSA-N 0 1 384.421 1.812 20 0 GDADMN Cn1c2ccccc2nc(Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)c1=O ZINC000737592169 598720143 /nfs/dbraw/zinc/72/01/43/598720143.db2.gz YLBMEHBZZXALIV-UHFFFAOYSA-N 0 1 385.387 1.477 20 0 GDADMN Cc1ncc(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)[nH]1 ZINC000737466928 598720335 /nfs/dbraw/zinc/72/03/35/598720335.db2.gz HMYLCJQBPMXYPK-UHFFFAOYSA-N 0 1 380.412 1.389 20 0 GDADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000737983754 598721622 /nfs/dbraw/zinc/72/16/22/598721622.db2.gz ZFWYIWZGYZJLIF-UHFFFAOYSA-N 0 1 375.344 1.793 20 0 GDADMN O=C1NCCCN1c1cccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)c1 ZINC000823547559 599307448 /nfs/dbraw/zinc/30/74/48/599307448.db2.gz KDNNIXRHKKXFSO-UHFFFAOYSA-N 0 1 399.436 1.587 20 0 GDADMN O=C1C[C@@H](c2cccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)c2)CN1 ZINC000823521608 607378190 /nfs/dbraw/zinc/37/81/90/607378190.db2.gz XSIYCYWDGPRVFD-GFCCVEGCSA-N 0 1 384.421 1.271 20 0 GDADMN CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000820993697 599462566 /nfs/dbraw/zinc/46/25/66/599462566.db2.gz ANBLPWLNXUVKIX-JSGCOSHPSA-N 0 1 382.490 1.388 20 0 GDADMN CS(=O)(=O)Cc1cccc(CNCc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000737167975 599489332 /nfs/dbraw/zinc/48/93/32/599489332.db2.gz XIWKNYXCFNUJJZ-UHFFFAOYSA-N 0 1 397.464 1.349 20 0 GDADMN O=C(CNCc1cnc2ccc(-c3nn[nH]n3)cn12)Nc1cccc2cccnc21 ZINC000737895703 599489412 /nfs/dbraw/zinc/48/94/12/599489412.db2.gz QNKZQWOKZUMBEW-UHFFFAOYSA-N 0 1 399.418 1.791 20 0 GDADMN COc1ccc2c(c1)[nH]cc(C(=O)NCc1cc(-c3nn[nH]n3)ccc1F)c2=O ZINC000821849352 599490263 /nfs/dbraw/zinc/49/02/63/599490263.db2.gz FGTRCPZKNJXNMC-UHFFFAOYSA-N 0 1 394.366 1.786 20 0 GDADMN C[C@@H](O)CN1CCN(C(=O)Nc2cc(-c3nn[nH]n3)cn2C(C)(C)C)C[C@H]1C ZINC000820481198 599553173 /nfs/dbraw/zinc/55/31/73/599553173.db2.gz UAPLDUDZZUPEFK-CHWSQXEVSA-N 0 1 390.492 1.342 20 0 GDADMN c1cc(-c2nnc(CN3CCC[C@H](C4OCCO4)C3)o2)ccc1-c1nn[nH]n1 ZINC000823737696 599573576 /nfs/dbraw/zinc/57/35/76/599573576.db2.gz IPCJGNQTUBUSEG-AWEZNQCLSA-N 0 1 383.412 1.502 20 0 GDADMN CC[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CCN1CCOC ZINC000820994358 599573994 /nfs/dbraw/zinc/57/39/94/599573994.db2.gz HCMDIJJBVSFHRO-MRXNPFEDSA-N 0 1 398.471 1.459 20 0 GDADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000819876904 599586236 /nfs/dbraw/zinc/58/62/36/599586236.db2.gz JYIRTVUNAVULBQ-JKSUJKDBSA-N 0 1 399.499 1.380 20 0 GDADMN COC(=O)CN(CCCOc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000821662518 599592794 /nfs/dbraw/zinc/59/27/94/599592794.db2.gz GITBOVFYHKTOBY-UHFFFAOYSA-N 0 1 375.429 1.290 20 0 GDADMN Cc1[nH]c(C(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1C(=O)[O-] ZINC000738236195 599712256 /nfs/dbraw/zinc/71/22/56/599712256.db2.gz LZYLTXGIYJANEP-HIFRSBDPSA-N 0 1 390.484 1.315 20 0 GDADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000738530081 599712694 /nfs/dbraw/zinc/71/26/94/599712694.db2.gz CPDOOOHNTUMSBH-KRWDZBQOSA-N 0 1 388.468 1.046 20 0 GDADMN O=S(=O)(NCCCc1ccccn1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573288 607389539 /nfs/dbraw/zinc/38/95/39/607389539.db2.gz TZIBEIOAJAQUMP-UHFFFAOYSA-N 0 1 380.380 1.451 20 0 GDADMN Cc1ccc([C@@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)o1 ZINC000738262467 599733663 /nfs/dbraw/zinc/73/36/63/599733663.db2.gz ZIRWBVDUYDOGCB-OAHLLOKOSA-N 0 1 385.486 1.356 20 0 GDADMN C[C@@H](C(=O)NCC(=O)[O-])N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000736209303 599770061 /nfs/dbraw/zinc/77/00/61/599770061.db2.gz SAOPHEWXRAYCCD-ZDUSSCGKSA-N 0 1 387.402 1.802 20 0 GDADMN CCc1[nH]c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)c1C(=O)[O-] ZINC000737245063 599799339 /nfs/dbraw/zinc/79/93/39/599799339.db2.gz UZBFAXRSCRCSBX-CQSZACIVSA-N 0 1 378.473 1.256 20 0 GDADMN COCC[NH+]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC000737809951 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1.011 20 0 GDADMN CC(C)(C)c1nc([C@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000819966254 606904389 /nfs/dbraw/zinc/90/43/89/606904389.db2.gz ZHGNKZMBLMUKTG-LSDHHAIUSA-N 0 1 398.471 1.389 20 0 GDADMN CC(C)(C)c1nnc([C@H]2CN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)[nH]1 ZINC000819966254 606904391 /nfs/dbraw/zinc/90/43/91/606904391.db2.gz ZHGNKZMBLMUKTG-LSDHHAIUSA-N 0 1 398.471 1.389 20 0 GDADMN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821724457 607002631 /nfs/dbraw/zinc/00/26/31/607002631.db2.gz VJMIHZCZDBZLSH-UHFFFAOYSA-N 0 1 391.409 1.693 20 0 GDADMN O=S(=O)(NCc1nc(C2CC2)cs1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578651 607007001 /nfs/dbraw/zinc/00/70/01/607007001.db2.gz RSDMCNQMGAPMQY-UHFFFAOYSA-N 0 1 398.420 1.957 20 0 GDADMN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820563030 607061852 /nfs/dbraw/zinc/06/18/52/607061852.db2.gz LTMYDRHLTIGIPE-LLVKDONJSA-N 0 1 390.444 1.846 20 0 GDADMN CCc1nc([C@H]2CN(C(=O)N[C@H](C)c3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000821505849 607066028 /nfs/dbraw/zinc/06/60/28/607066028.db2.gz UKAOXEGZUSGTDB-BXUZGUMPSA-N 0 1 397.443 1.391 20 0 GDADMN C[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1n1ccnc1 ZINC000820722122 607098136 /nfs/dbraw/zinc/09/81/36/607098136.db2.gz FXAZBDZBZNEFNC-OLMNPRSZSA-N 0 1 392.467 1.752 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1-c1nn[nH]n1 ZINC000821976617 607166769 /nfs/dbraw/zinc/16/67/69/607166769.db2.gz BYTPISIKCUIMBK-SNVBAGLBSA-N 0 1 390.469 1.911 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1(c2ccc(Br)cc2)CC1 ZINC000823125692 607209135 /nfs/dbraw/zinc/20/91/35/607209135.db2.gz BCNUCQKNYVBAAG-UHFFFAOYSA-N 0 1 389.217 1.026 20 0 GDADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000820333407 607210029 /nfs/dbraw/zinc/21/00/29/607210029.db2.gz AUGAKTOGTRHOQL-VIFPVBQESA-N 0 1 396.333 1.277 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000823126060 607210442 /nfs/dbraw/zinc/21/04/42/607210442.db2.gz GTMGFPDAQXICQO-UHFFFAOYSA-N 0 1 386.847 1.740 20 0 GDADMN CN(Cc1ccccc1)c1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821614719 607211327 /nfs/dbraw/zinc/21/13/27/607211327.db2.gz RWWXLCHKWBFGIS-UHFFFAOYSA-N 0 1 389.423 1.733 20 0 GDADMN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820295160 607212253 /nfs/dbraw/zinc/21/22/53/607212253.db2.gz ZPXLLGKLGCSLMZ-MRVPVSSYSA-N 0 1 381.227 1.512 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nc2ccccc2n1-c1ccccc1 ZINC000823136018 607212889 /nfs/dbraw/zinc/21/28/89/607212889.db2.gz GJJDKYIQETVCFE-UHFFFAOYSA-N 0 1 386.379 1.436 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nc2ccccc2n1C1CCCCC1 ZINC000823136060 607213237 /nfs/dbraw/zinc/21/32/37/607213237.db2.gz ICHSANLHPBIDEL-UHFFFAOYSA-N 0 1 392.427 1.952 20 0 GDADMN Cc1csc(Nc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)n1 ZINC000822414837 607215280 /nfs/dbraw/zinc/21/52/80/607215280.db2.gz WKDNPUQHSYIHNK-UHFFFAOYSA-N 0 1 382.413 1.605 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000823136228 607215619 /nfs/dbraw/zinc/21/56/19/607215619.db2.gz PGVBHTODSFGMQW-UHFFFAOYSA-N 0 1 389.379 1.094 20 0 GDADMN CC[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(C(F)(F)F)cs1 ZINC000820915705 607220887 /nfs/dbraw/zinc/22/08/87/607220887.db2.gz WQRHZSVOUVWOPN-ZCFIWIBFSA-N 0 1 387.351 1.201 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC(OCc2cccc3ccccc32)C1 ZINC000823122513 607221183 /nfs/dbraw/zinc/22/11/83/607221183.db2.gz DOLDGNOZCWVWHS-UHFFFAOYSA-N 0 1 390.407 1.039 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000823126985 607222022 /nfs/dbraw/zinc/22/20/22/607222022.db2.gz PYEJWIJKDVKVQR-KRWDZBQOSA-N 0 1 388.435 1.601 20 0 GDADMN O=C(C(C1CC1)C1CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826396893 607805092 /nfs/dbraw/zinc/80/50/92/607805092.db2.gz NQZUALLZHIEDGS-UHFFFAOYSA-N 0 1 383.456 1.817 20 0 GDADMN COCc1cccc(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826164487 607815330 /nfs/dbraw/zinc/81/53/30/607815330.db2.gz CDSKCNHZGNREGV-UHFFFAOYSA-N 0 1 387.465 1.577 20 0 GDADMN CCCN1C(=O)N=NC1SCc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000825356666 607893066 /nfs/dbraw/zinc/89/30/66/607893066.db2.gz DDYSSQFEAXENPS-UHFFFAOYSA-N 0 1 375.414 1.653 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCSC(C)(C)C)c1-c1nnn[n-]1 ZINC000826077133 608021103 /nfs/dbraw/zinc/02/11/03/608021103.db2.gz AYMPCMUJWOEIGF-UHFFFAOYSA-N 0 1 380.522 1.992 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCSC(C)(C)C)c1-c1nn[n-]n1 ZINC000826077133 608021104 /nfs/dbraw/zinc/02/11/04/608021104.db2.gz AYMPCMUJWOEIGF-UHFFFAOYSA-N 0 1 380.522 1.992 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826077407 608021261 /nfs/dbraw/zinc/02/12/61/608021261.db2.gz HGNVNIBOENUZBU-NEPJUHHUSA-N 0 1 376.465 1.276 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826077407 608021262 /nfs/dbraw/zinc/02/12/62/608021262.db2.gz HGNVNIBOENUZBU-NEPJUHHUSA-N 0 1 376.465 1.276 20 0 GDADMN CCCCn1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)c1C ZINC000825301542 608022594 /nfs/dbraw/zinc/02/25/94/608022594.db2.gz NEGCISFJHWSRME-UHFFFAOYSA-N 0 1 386.464 1.299 20 0 GDADMN CCCCn1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)c1C ZINC000825301542 608022595 /nfs/dbraw/zinc/02/25/95/608022595.db2.gz NEGCISFJHWSRME-UHFFFAOYSA-N 0 1 386.464 1.299 20 0 GDADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccn(-c2cccc(F)c2)n1 ZINC000825933951 608037218 /nfs/dbraw/zinc/03/72/18/608037218.db2.gz JQRVWUVSXMNXMM-UHFFFAOYSA-N 0 1 396.434 1.561 20 0 GDADMN Fc1cncc(N2CCN(CCCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826378772 608041542 /nfs/dbraw/zinc/04/15/42/608041542.db2.gz ZXFIGAMCOZVZDC-UHFFFAOYSA-N 0 1 383.431 1.992 20 0 GDADMN C[C@H](CN1CCN(C)CC1)Nc1ccc(-c2nn[nH]n2)cc1Br ZINC000824412658 608049951 /nfs/dbraw/zinc/04/99/51/608049951.db2.gz DAJDHFUZLFETIO-LLVKDONJSA-N 0 1 380.294 1.677 20 0 GDADMN Cn1ccnc1[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826363874 608079362 /nfs/dbraw/zinc/07/93/62/608079362.db2.gz DVHSFCMVBODHCB-CQSZACIVSA-N 0 1 377.412 1.640 20 0 GDADMN O=C([C@H](O)c1ccccc1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737782965 608184609 /nfs/dbraw/zinc/18/46/09/608184609.db2.gz QVLGCCFJBGYXFK-LJQANCHMSA-N 0 1 392.463 1.635 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ncccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826082717 608197779 /nfs/dbraw/zinc/19/77/79/608197779.db2.gz ABQUWERNPFPFBV-UHFFFAOYSA-N 0 1 395.349 1.408 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ncccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826082717 608197781 /nfs/dbraw/zinc/19/77/81/608197781.db2.gz ABQUWERNPFPFBV-UHFFFAOYSA-N 0 1 395.349 1.408 20 0 GDADMN C[C@@H]1[C@@H](C)N(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)CCN1C ZINC000824860889 608202529 /nfs/dbraw/zinc/20/25/29/608202529.db2.gz YTBDOKDTEFFNJY-ZIAGYGMSSA-N 0 1 385.472 1.527 20 0 GDADMN CN(CC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCSC1 ZINC000825892055 608209805 /nfs/dbraw/zinc/20/98/05/608209805.db2.gz DIPQVUYZCSSFMI-HZPDHXFCSA-N 0 1 388.497 1.204 20 0 GDADMN O=C(CNc1ccc(-c2nn[nH]n2)cn1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000826413740 608226462 /nfs/dbraw/zinc/22/64/62/608226462.db2.gz PPKWHVRKKOUJAN-UHFFFAOYSA-N 0 1 381.375 1.048 20 0 GDADMN O=C(CN[C@]1(CO)CCc2ccccc21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826412178 608254586 /nfs/dbraw/zinc/25/45/86/608254586.db2.gz FEOLZGIFLLRYNB-IBGZPJMESA-N 0 1 398.854 1.882 20 0 GDADMN C[C@@H](CCO)N(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000824406321 608267635 /nfs/dbraw/zinc/26/76/35/608267635.db2.gz HKKBZCMTCDRHKU-INIZCTEOSA-N 0 1 394.479 1.756 20 0 GDADMN CCC[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC[N@@H+]1CCOC ZINC000825261360 608303672 /nfs/dbraw/zinc/30/36/72/608303672.db2.gz XRJMJPLABRDQHR-AWEZNQCLSA-N 0 1 382.472 1.747 20 0 GDADMN CCC[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC[N@H+]1CCOC ZINC000825261360 608303674 /nfs/dbraw/zinc/30/36/74/608303674.db2.gz XRJMJPLABRDQHR-AWEZNQCLSA-N 0 1 382.472 1.747 20 0 GDADMN CCC[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC[N@@H+]1CCOC ZINC000825261360 608303676 /nfs/dbraw/zinc/30/36/76/608303676.db2.gz XRJMJPLABRDQHR-AWEZNQCLSA-N 0 1 382.472 1.747 20 0 GDADMN CCC[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC[N@H+]1CCOC ZINC000825261360 608303678 /nfs/dbraw/zinc/30/36/78/608303678.db2.gz XRJMJPLABRDQHR-AWEZNQCLSA-N 0 1 382.472 1.747 20 0 GDADMN COCCOC[C@@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826160870 608314516 /nfs/dbraw/zinc/31/45/16/608314516.db2.gz KJKDIVZOUNNCOU-MRXNPFEDSA-N 0 1 397.483 1.846 20 0 GDADMN COCCOC[C@@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)C1 ZINC000826160870 608314518 /nfs/dbraw/zinc/31/45/18/608314518.db2.gz KJKDIVZOUNNCOU-MRXNPFEDSA-N 0 1 397.483 1.846 20 0 GDADMN COCCOC[C@@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826160870 608314521 /nfs/dbraw/zinc/31/45/21/608314521.db2.gz KJKDIVZOUNNCOU-MRXNPFEDSA-N 0 1 397.483 1.846 20 0 GDADMN COCCOC[C@@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826160870 608314523 /nfs/dbraw/zinc/31/45/23/608314523.db2.gz 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657373463 /nfs/dbraw/zinc/37/34/63/657373463.db2.gz CIRYLQNAPUCFEB-HSZRJFAPSA-N 0 1 381.608 1.878 20 0 GDADMN CNS(=O)(=O)c1cc(NC(=O)CN2C[C@@H]3CSC[C@]3(C)C2)ccc1C ZINC000934771821 657375595 /nfs/dbraw/zinc/37/55/95/657375595.db2.gz ANGMKBJRRIJJIZ-DYVFJYSZSA-N 0 1 383.539 1.527 20 0 GDADMN CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C(=O)N[C@H]2CCC(F)(F)C2)C1 ZINC000934855206 657383657 /nfs/dbraw/zinc/38/36/57/657383657.db2.gz DFYDJQXZTGUYOR-WDEREUQCSA-N 0 1 382.429 1.325 20 0 GDADMN CCN(CC)CCN(C(=O)c1cc(Cl)ncc1F)[C@H]1CCS(=O)(=O)C1 ZINC000935093809 657400754 /nfs/dbraw/zinc/40/07/54/657400754.db2.gz VTJKLWWDADXRHP-LBPRGKRZSA-N 0 1 391.896 1.845 20 0 GDADMN Cc1cc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)oc1Br ZINC000935207249 657414480 /nfs/dbraw/zinc/41/44/80/657414480.db2.gz OBHIMCAJDMXAPW-UHFFFAOYSA-N 0 1 387.274 1.650 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C[C@H]1F ZINC000935274144 657419594 /nfs/dbraw/zinc/41/95/94/657419594.db2.gz DRJYRKPBVBVNIN-JHJVBQTASA-N 0 1 378.466 1.227 20 0 GDADMN O=C(CCc1nn[nH]n1)N1CCC[C@H]1COc1ccc(Br)cc1 ZINC000885215657 657430322 /nfs/dbraw/zinc/43/03/22/657430322.db2.gz MNYVMYXTYRIARX-LBPRGKRZSA-N 0 1 380.246 1.965 20 0 GDADMN CC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000885382003 657463856 /nfs/dbraw/zinc/46/38/56/657463856.db2.gz DZRRFTACLVYYAT-POYBYMJQSA-N 0 1 384.321 1.796 20 0 GDADMN COC[C@H](NS(=O)(=O)c1nc(C)c(Br)s1)[C@@H]1CCCOC1 ZINC000885747795 657537446 /nfs/dbraw/zinc/53/74/46/657537446.db2.gz RRGPUHJJTRMMLE-ZJUUUORDSA-N 0 1 399.332 1.934 20 0 GDADMN CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C(=O)N2CC[C@@H]2C(F)(F)F)C1 ZINC000936040857 657543773 /nfs/dbraw/zinc/54/37/73/657543773.db2.gz MVZXMWIKWYOIJD-NXEZZACHSA-N 0 1 386.392 1.184 20 0 GDADMN CCN1CCCC[C@@H]1C(=O)N1CCn2ncc(I)c2C1 ZINC000886200020 657616477 /nfs/dbraw/zinc/61/64/77/657616477.db2.gz UOLHMQRTPLTGPT-GFCCVEGCSA-N 0 1 388.253 1.704 20 0 GDADMN COc1ccc(Br)c(CNCC2(S(=O)(=O)N(C)C)CC2)c1 ZINC000886320707 657642950 /nfs/dbraw/zinc/64/29/50/657642950.db2.gz CAFFXQRRDDUHGD-UHFFFAOYSA-N 0 1 377.304 1.971 20 0 GDADMN COC(=O)[C@@H]1CCN(C(=O)c2cc(Br)[nH]n2)[C@@H]([C@@H]2CCCO2)C1 ZINC000886382483 657646962 /nfs/dbraw/zinc/64/69/62/657646962.db2.gz GQMRYJJOVVUOPK-JLLWLGSASA-N 0 1 386.246 1.745 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1coc(Br)c1)c1ncn[nH]1 ZINC000999359700 657659214 /nfs/dbraw/zinc/65/92/14/657659214.db2.gz OJVIANRIPFOTGG-UTLUCORTSA-N 0 1 380.202 1.336 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1coc(Br)c1)c1nc[nH]n1 ZINC000999359700 657659221 /nfs/dbraw/zinc/65/92/21/657659221.db2.gz OJVIANRIPFOTGG-UTLUCORTSA-N 0 1 380.202 1.336 20 0 GDADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]cc1Br)c1ccn[nH]1 ZINC001001436854 657678428 /nfs/dbraw/zinc/67/84/28/657678428.db2.gz LCVRITPAIQQTKI-ONOSFVFSSA-N 0 1 379.218 1.071 20 0 GDADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]cc1Br)c1cocn1 ZINC001001660489 657682041 /nfs/dbraw/zinc/68/20/41/657682041.db2.gz ZKTZQCIRALRDNU-ZOFUNIGCSA-N 0 1 380.202 1.336 20 0 GDADMN C[C@H](NCC1(S(=O)(=O)N(C)C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000886734551 657684927 /nfs/dbraw/zinc/68/49/27/657684927.db2.gz JJJQWJTWOIXWDX-NSHDSACASA-N 0 1 396.481 1.758 20 0 GDADMN C[C@H](NCC1(S(=O)(=O)N(C)C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000886735033 657685909 /nfs/dbraw/zinc/68/59/09/657685909.db2.gz VOJBAOVHLGECEQ-NSHDSACASA-N 0 1 378.491 1.304 20 0 GDADMN O=C(Cc1ccc(Cl)s1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ncn[nH]1 ZINC001002748625 657693036 /nfs/dbraw/zinc/69/30/36/657693036.db2.gz NWZRHXXDZPVKLX-JLLWLGSASA-N 0 1 379.873 1.553 20 0 GDADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1n[nH]cc1Br)c1cc[nH]c1 ZINC001003332543 657701967 /nfs/dbraw/zinc/70/19/67/657701967.db2.gz PNOHITQZRMFYAF-JLLWLGSASA-N 0 1 378.230 1.676 20 0 GDADMN COC[C@H]1COCCN1C(=O)c1cccc(I)c1O ZINC000886864575 657712741 /nfs/dbraw/zinc/71/27/41/657712741.db2.gz OUPKRTHMXFORJG-VIFPVBQESA-N 0 1 377.178 1.484 20 0 GDADMN Cc1sc(Cl)nc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nnc[nH]1)C2 ZINC001006493003 657734434 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CC(C)N1CCC[C@@H]1C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000889816667 658055550 /nfs/dbraw/zinc/05/55/50/658055550.db2.gz MBGZGASSTPCXKH-QWHCGFSZSA-N 0 1 381.274 1.696 20 0 GDADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1nn2c(c1Br)CCC2 ZINC000890278005 658099026 /nfs/dbraw/zinc/09/90/26/658099026.db2.gz VTIYDAHVLUNOSW-LBPRGKRZSA-N 0 1 397.317 1.917 20 0 GDADMN Cc1nnc(SCC(=O)N[C@@](C)(CO)c2cccc(Br)c2)[nH]1 ZINC000890631931 658134297 /nfs/dbraw/zinc/13/42/97/658134297.db2.gz JQMHVCBOFBPHLL-AWEZNQCLSA-N 0 1 385.287 1.992 20 0 GDADMN Cc1n[nH]c(SCC(=O)N[C@@](C)(CO)c2cccc(Br)c2)n1 ZINC000890631931 658134301 /nfs/dbraw/zinc/13/43/01/658134301.db2.gz JQMHVCBOFBPHLL-AWEZNQCLSA-N 0 1 385.287 1.992 20 0 GDADMN CSCc1n[nH]c(CNC(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)n1 ZINC000891088086 658188328 /nfs/dbraw/zinc/18/83/28/658188328.db2.gz ODEQQXGCYVNMLN-JTQLQIEISA-N 0 1 380.440 1.693 20 0 GDADMN CSCc1nnc(CNC(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)[nH]1 ZINC000891088086 658188332 /nfs/dbraw/zinc/18/83/32/658188332.db2.gz 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Cc1cccc([C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])c1C ZINC000908990224 939367161 /nfs/dbraw/zinc/36/71/61/939367161.db2.gz UULGHMJHDSEVHZ-APWZRJJASA-N 0 1 388.512 1.897 20 0 GDADMN Cc1cccc([C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])c1C ZINC000908990224 939367163 /nfs/dbraw/zinc/36/71/63/939367163.db2.gz UULGHMJHDSEVHZ-APWZRJJASA-N 0 1 388.512 1.897 20 0 GDADMN C[C@H](CNC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653531030 939837224 /nfs/dbraw/zinc/83/72/24/939837224.db2.gz WFVLLWWYLLDWMU-GXNBUGAJSA-N 0 1 375.469 1.710 20 0 GDADMN C[C@H](CNC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653531030 939837226 /nfs/dbraw/zinc/83/72/26/939837226.db2.gz WFVLLWWYLLDWMU-GXNBUGAJSA-N 0 1 375.469 1.710 20 0 GDADMN CC(C)N1CC[C@H](N2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1=O ZINC000820127582 945357322 /nfs/dbraw/zinc/35/73/22/945357322.db2.gz JRZGJKPXGSPOKB-KRWDZBQOSA-N 0 1 397.483 1.527 20 0 GDADMN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000736949146 944917131 /nfs/dbraw/zinc/91/71/31/944917131.db2.gz DMJOGFFLCFBEQF-UHFFFAOYSA-N 0 1 391.384 1.902 20 0 GDADMN Cc1cc(N2C[C@@H]3CCN(C(=O)C4(F)CCCC4)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571260017 945405095 /nfs/dbraw/zinc/40/50/95/945405095.db2.gz NAUHXBHGIGMOHM-XJKSGUPXSA-N 0 1 385.447 1.890 20 0 GDADMN CCc1ncsc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571262395 945436587 /nfs/dbraw/zinc/43/65/87/945436587.db2.gz ROPLQSCNFSQRGX-UHFFFAOYSA-N 0 1 385.457 1.074 20 0 GDADMN COC1CC(C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571264116 945475851 /nfs/dbraw/zinc/47/58/51/945475851.db2.gz GNHQDKWNYBHFED-ZUEPYMLJSA-N 0 1 385.472 1.408 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)C3CCC(O)CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571264835 945493267 /nfs/dbraw/zinc/49/32/67/945493267.db2.gz YILFSPJXVWMPKW-SHARSMKWSA-N 0 1 385.472 1.206 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571264889 945495207 /nfs/dbraw/zinc/49/52/07/945495207.db2.gz ZQVQMSIHWSNWSM-VBQJREDUSA-N 0 1 385.472 1.210 20 0 GDADMN CO[C@@H](C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1)C(C)C ZINC001571265370 945509230 /nfs/dbraw/zinc/50/92/30/945509230.db2.gz IMGHCCBTGZKMHD-SNVBAGLBSA-N 0 1 385.881 1.296 20 0 GDADMN Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCOC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571265578 945512968 /nfs/dbraw/zinc/51/29/68/945512968.db2.gz IRPNYCGQBWZMSJ-FVQBIDKESA-N 0 1 385.472 1.258 20 0 GDADMN Cc1c[nH]c(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571271621 945646171 /nfs/dbraw/zinc/64/61/71/945646171.db2.gz FWDMFNQYIDPKGK-NEPJUHHUSA-N 0 1 386.485 1.600 20 0 GDADMN Cc1c[nH]c(C(=O)N2CC[C@H]([C@@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571271621 945646174 /nfs/dbraw/zinc/64/61/74/945646174.db2.gz FWDMFNQYIDPKGK-NEPJUHHUSA-N 0 1 386.485 1.600 20 0 GDADMN Cc1cnn(C)c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571271723 945648421 /nfs/dbraw/zinc/64/84/21/945648421.db2.gz IANQCZMEPTVMTM-GFCCVEGCSA-N 0 1 386.485 1.365 20 0 GDADMN Cc1cnn(C)c1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571271723 945648431 /nfs/dbraw/zinc/64/84/31/945648431.db2.gz IANQCZMEPTVMTM-GFCCVEGCSA-N 0 1 386.485 1.365 20 0 GDADMN Cc1ncc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1C ZINC001571272523 945665553 /nfs/dbraw/zinc/66/55/53/945665553.db2.gz VMDRKXGVTVEVKK-LBPRGKRZSA-N 0 1 386.485 1.365 20 0 GDADMN Cc1ncc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1C ZINC001571272523 945665555 /nfs/dbraw/zinc/66/55/55/945665555.db2.gz VMDRKXGVTVEVKK-LBPRGKRZSA-N 0 1 386.485 1.365 20 0 GDADMN CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001571274133 945691896 /nfs/dbraw/zinc/69/18/96/945691896.db2.gz CBGYCSWOXRUNSG-NSHDSACASA-N 0 1 386.909 1.919 20 0 GDADMN CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001571274133 945691901 /nfs/dbraw/zinc/69/19/01/945691901.db2.gz CBGYCSWOXRUNSG-NSHDSACASA-N 0 1 386.909 1.919 20 0 GDADMN Cc1nc(C(=O)N2CC[C@@H]([C@H](C)[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)co1 ZINC001571281422 945803140 /nfs/dbraw/zinc/80/31/40/945803140.db2.gz IKBJLURILCFOFX-CMPLNLGQSA-N 0 1 387.469 1.865 20 0 GDADMN Cc1nc(C(=O)N2CC[C@@H]([C@H](C)[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)co1 ZINC001571281422 945803149 /nfs/dbraw/zinc/80/31/49/945803149.db2.gz IKBJLURILCFOFX-CMPLNLGQSA-N 0 1 387.469 1.865 20 0 GDADMN CCc1ocnc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1C ZINC001571281367 945804486 /nfs/dbraw/zinc/80/44/86/945804486.db2.gz HEXPISZURUKCPD-QWRGUYRKSA-N 0 1 387.469 1.871 20 0 GDADMN CCc1ocnc1C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001571281367 945804494 /nfs/dbraw/zinc/80/44/94/945804494.db2.gz HEXPISZURUKCPD-QWRGUYRKSA-N 0 1 387.469 1.871 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)o1 ZINC001571281619 945805836 /nfs/dbraw/zinc/80/58/36/945805836.db2.gz KDFDOYGYNISITO-LBPRGKRZSA-N 0 1 387.469 1.880 20 0 GDADMN Cc1nc(C)c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)o1 ZINC001571281619 945805840 /nfs/dbraw/zinc/80/58/40/945805840.db2.gz KDFDOYGYNISITO-LBPRGKRZSA-N 0 1 387.469 1.880 20 0 GDADMN CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001573454563 945880535 /nfs/dbraw/zinc/88/05/35/945880535.db2.gz ZKNNDPICXKABKO-JTQLQIEISA-N 0 1 389.828 1.893 20 0 GDADMN CN(C(=O)[C@@H]1CCCCO1)[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287613 945975290 /nfs/dbraw/zinc/97/52/90/945975290.db2.gz GCYBUVYRNNQQAL-RDJZCZTQSA-N 0 1 388.447 1.608 20 0 GDADMN CC1(NC(=O)[C@@H]2CCCO2)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001571287625 945976198 /nfs/dbraw/zinc/97/61/98/945976198.db2.gz GHDIBAJNFJPHLP-INIZCTEOSA-N 0 1 388.447 1.656 20 0 GDADMN O=C(NC[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H]1CCCCO1 ZINC001571288779 945993247 /nfs/dbraw/zinc/99/32/47/945993247.db2.gz TYPJIWWUAMYXMV-YOEHRIQHSA-N 0 1 388.447 1.656 20 0 GDADMN C[C@@]1(NC(=O)C2CCOCC2)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571289297 946001232 /nfs/dbraw/zinc/00/12/32/946001232.db2.gz ZFEKOEKKSBQAID-LJQANCHMSA-N 0 1 388.447 1.513 20 0 GDADMN Cc1occc1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289690 946016199 /nfs/dbraw/zinc/01/61/99/946016199.db2.gz KJKGNJSRFNHMBU-GFCCVEGCSA-N 0 1 388.453 1.460 20 0 GDADMN Cc1occc1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289690 946016205 /nfs/dbraw/zinc/01/62/05/946016205.db2.gz KJKGNJSRFNHMBU-GFCCVEGCSA-N 0 1 388.453 1.460 20 0 GDADMN Cc1nonc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289881 946019311 /nfs/dbraw/zinc/01/93/11/946019311.db2.gz OTNCORTWOWXUKJ-LLVKDONJSA-N 0 1 388.457 1.262 20 0 GDADMN Cc1nonc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289881 946019322 /nfs/dbraw/zinc/01/93/22/946019322.db2.gz OTNCORTWOWXUKJ-LLVKDONJSA-N 0 1 388.457 1.262 20 0 GDADMN Cc1nonc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289881 946019330 /nfs/dbraw/zinc/01/93/30/946019330.db2.gz OTNCORTWOWXUKJ-LLVKDONJSA-N 0 1 388.457 1.262 20 0 GDADMN Cc1nonc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289881 946019341 /nfs/dbraw/zinc/01/93/41/946019341.db2.gz OTNCORTWOWXUKJ-LLVKDONJSA-N 0 1 388.457 1.262 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290206 946030339 /nfs/dbraw/zinc/03/03/39/946030339.db2.gz XOWYQSPYSORTES-JSGCOSHPSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290206 946030352 /nfs/dbraw/zinc/03/03/52/946030352.db2.gz XOWYQSPYSORTES-JSGCOSHPSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290206 946030366 /nfs/dbraw/zinc/03/03/66/946030366.db2.gz XOWYQSPYSORTES-JSGCOSHPSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290206 946030374 /nfs/dbraw/zinc/03/03/74/946030374.db2.gz XOWYQSPYSORTES-JSGCOSHPSA-N 0 1 388.497 1.744 20 0 GDADMN O=C(N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2)[C@H]1CCOC1 ZINC001571290182 946030723 /nfs/dbraw/zinc/03/07/23/946030723.db2.gz WZYMUVLNGGEBKO-SWLSCSKDSA-N 0 1 388.497 1.435 20 0 GDADMN O=C(N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2)[C@H]1CCOC1 ZINC001571290182 946030735 /nfs/dbraw/zinc/03/07/35/946030735.db2.gz WZYMUVLNGGEBKO-SWLSCSKDSA-N 0 1 388.497 1.435 20 0 GDADMN CN(C(=O)[C@@H]1CC1(F)F)[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571294975 946149470 /nfs/dbraw/zinc/14/94/70/946149470.db2.gz RJUMSJMNELGPHN-BQBZGAKWSA-N 0 1 389.819 1.669 20 0 GDADMN Cn1cc(C[C@H]2CCN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)cn1 ZINC000822674418 946152935 /nfs/dbraw/zinc/15/29/35/946152935.db2.gz SNMYCFUAZKWYBK-CYBMUJFWSA-N 0 1 391.439 1.715 20 0 GDADMN Cc1ccc(C)c(C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571295458 946164741 /nfs/dbraw/zinc/16/47/41/946164741.db2.gz TZVFHRMJSWSWKK-XGWQRUHWSA-N 0 1 389.463 1.991 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1Cc2cccnc2C1 ZINC001571295595 946169339 /nfs/dbraw/zinc/16/93/39/946169339.db2.gz YRBJQFLCGUGXCV-MSOLQXFVSA-N 0 1 389.463 1.367 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCc2ccccc2C1 ZINC001571297854 946199013 /nfs/dbraw/zinc/19/90/13/946199013.db2.gz BHNPYBZQSDOGRC-JKSUJKDBSA-N 0 1 390.451 1.157 20 0 GDADMN Cc1cnc(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)c(C)c1 ZINC001571298913 946233168 /nfs/dbraw/zinc/23/31/68/946233168.db2.gz LPJUVVSSXYLXPI-GASCZTMLSA-N 0 1 390.451 1.482 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571299270 946246915 /nfs/dbraw/zinc/24/69/15/946246915.db2.gz VJPGTSZFBQLDOS-XHSDSOJGSA-N 0 1 390.451 1.545 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571299738 946259249 /nfs/dbraw/zinc/25/92/49/946259249.db2.gz OZWFNEJKENJFAC-KDOFPFPSSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571299738 946259261 /nfs/dbraw/zinc/25/92/61/946259261.db2.gz OZWFNEJKENJFAC-KDOFPFPSSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571299738 946259272 /nfs/dbraw/zinc/25/92/72/946259272.db2.gz OZWFNEJKENJFAC-KDOFPFPSSA-N 0 1 390.513 1.778 20 0 GDADMN CC[C@@H](OC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571299738 946259282 /nfs/dbraw/zinc/25/92/82/946259282.db2.gz OZWFNEJKENJFAC-KDOFPFPSSA-N 0 1 390.513 1.778 20 0 GDADMN O=C(CC[C@@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299911 946266398 /nfs/dbraw/zinc/26/63/98/946266398.db2.gz QVJYJGMUGJAODH-KBPBESRZSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(CC[C@@H]1CCCO1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299911 946266415 /nfs/dbraw/zinc/26/64/15/946266415.db2.gz QVJYJGMUGJAODH-KBPBESRZSA-N 0 1 390.513 1.968 20 0 GDADMN O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccsc1Cl ZINC001571300078 946271670 /nfs/dbraw/zinc/27/16/70/946271670.db2.gz UCIAFQCJTZQFPL-SECBINFHSA-N 0 1 390.860 1.770 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001571300075 946273193 /nfs/dbraw/zinc/27/31/93/946273193.db2.gz TYFVKZZEONQVEB-FZKQIMNGSA-N 0 1 390.513 1.778 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001571300075 946273204 /nfs/dbraw/zinc/27/32/04/946273204.db2.gz TYFVKZZEONQVEB-FZKQIMNGSA-N 0 1 390.513 1.778 20 0 GDADMN Cc1nsc(N[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571300311 946280812 /nfs/dbraw/zinc/28/08/12/946280812.db2.gz ZJYZDZBMUBJOAJ-GWCFXTLKSA-N 0 1 390.517 1.232 20 0 GDADMN C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571301870 946285831 /nfs/dbraw/zinc/28/58/31/946285831.db2.gz GNFHZHGNMSGAMY-NWDGAFQWSA-N 0 1 391.426 1.625 20 0 GDADMN Cc1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)n[nH]1 ZINC001571303376 946333965 /nfs/dbraw/zinc/33/39/65/946333965.db2.gz LMZJQYMMIKQTIA-HNNXBMFYSA-N 0 1 391.432 1.953 20 0 GDADMN Cc1cnccc1C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571303679 946345095 /nfs/dbraw/zinc/34/50/95/946345095.db2.gz VLMJKSKGNHPIFF-IBGZPJMESA-N 0 1 391.439 1.103 20 0 GDADMN Cc1cc([C@@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)n[nH]1 ZINC001571304079 946356842 /nfs/dbraw/zinc/35/68/42/946356842.db2.gz XNIKCQDOUILXLO-ZDUSSCGKSA-N 0 1 391.432 1.953 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC001571307916 946426947 /nfs/dbraw/zinc/42/69/47/946426947.db2.gz JYKYODUNGDENGT-KBXCAEBGSA-N 0 1 392.410 1.754 20 0 GDADMN C[C@H]1CN(C(=O)CC2CC(F)(F)C2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571309023 946440408 /nfs/dbraw/zinc/44/04/08/946440408.db2.gz WBHWHJVOLYCEHT-CMPLNLGQSA-N 0 1 392.414 1.163 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571309419 946444390 /nfs/dbraw/zinc/44/43/90/946444390.db2.gz ZNMUHWGHVXZQPV-NWDGAFQWSA-N 0 1 392.414 1.519 20 0 GDADMN C(c1nc2c(s1)CCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000823874423 946497717 /nfs/dbraw/zinc/49/77/17/946497717.db2.gz WOYQFRDMISEROJ-UHFFFAOYSA-N 0 1 398.496 2.000 20 0 GDADMN CCc1ccnc(C(=O)NCC2CC(Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571313308 946518252 /nfs/dbraw/zinc/51/82/52/946518252.db2.gz MHCNKNBZGBUOEB-UHFFFAOYSA-N 0 1 392.467 1.570 20 0 GDADMN Cc1ccc(C)c(CC(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571314920 946544805 /nfs/dbraw/zinc/54/48/05/946544805.db2.gz DNWZLMIUNYOFMI-MRXNPFEDSA-N 0 1 392.467 1.553 20 0 GDADMN Cc1cc(C)nc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571315445 946552821 /nfs/dbraw/zinc/55/28/21/946552821.db2.gz KXTCMPDKNKVKLP-OAHLLOKOSA-N 0 1 392.467 1.721 20 0 GDADMN Cc1cc(N[C@H]2CCC[C@@H](NC(=O)Cc3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571316293 946571559 /nfs/dbraw/zinc/57/15/59/946571559.db2.gz YNMLPDDFJQDQKO-JKSUJKDBSA-N 0 1 392.467 1.469 20 0 GDADMN Cc1ccccc1CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316427 946577494 /nfs/dbraw/zinc/57/74/94/946577494.db2.gz CGMVNZCYYUZDRR-OAHLLOKOSA-N 0 1 392.467 1.280 20 0 GDADMN Cc1cccc(CC(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571316510 946580158 /nfs/dbraw/zinc/58/01/58/946580158.db2.gz FCFZZVOGVFPZKT-HZPDHXFCSA-N 0 1 392.467 1.469 20 0 GDADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1n[nH]c2c1CCCC2 ZINC001571316671 946584520 /nfs/dbraw/zinc/58/45/20/946584520.db2.gz JOIYECPIBWNGRD-HNNXBMFYSA-N 0 1 392.467 1.473 20 0 GDADMN Cc1ncncc1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1C ZINC001571317014 946596401 /nfs/dbraw/zinc/59/64/01/946596401.db2.gz RYNMWAOOGKEHLW-KBXCAEBGSA-N 0 1 392.467 1.748 20 0 GDADMN CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001573546517 946812655 /nfs/dbraw/zinc/81/26/55/946812655.db2.gz CCUPXAMZMYXARN-GASCZTMLSA-N 0 1 392.423 1.015 20 0 GDADMN CC(=O)Nc1cccc(CC(=O)Nc2nc3cc(-c4nn[nH]n4)ccc3[nH]2)c1 ZINC001573546701 946818698 /nfs/dbraw/zinc/81/86/98/946818698.db2.gz NFPWYOPXIUCTQW-UHFFFAOYSA-N 0 1 376.380 1.883 20 0 GDADMN CN(CCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000825946348 947382493 /nfs/dbraw/zinc/38/24/93/947382493.db2.gz UICBAMFILGOOGD-IBGZPJMESA-N 0 1 392.463 1.978 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1-c1nnn[n-]1 ZINC000826073379 947424510 /nfs/dbraw/zinc/42/45/10/947424510.db2.gz PYMBLFPFFXPMSX-HNNXBMFYSA-N 0 1 380.456 1.874 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000826073379 947424517 /nfs/dbraw/zinc/42/45/17/947424517.db2.gz PYMBLFPFFXPMSX-HNNXBMFYSA-N 0 1 380.456 1.874 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1cccc1 ZINC001573598853 947448158 /nfs/dbraw/zinc/44/81/58/947448158.db2.gz SMNSBEXAMQQISO-YJBOKZPZSA-N 0 1 379.468 1.962 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573599455 947458587 /nfs/dbraw/zinc/45/85/87/947458587.db2.gz YGDMJFDASVKICI-JSGCOSHPSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001573599455 947458591 /nfs/dbraw/zinc/45/85/91/947458591.db2.gz YGDMJFDASVKICI-JSGCOSHPSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@H](C(=O)N(Cc1cccs1)Cc1ccncc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573608026 947554763 /nfs/dbraw/zinc/55/47/63/947554763.db2.gz UNELDCBXBLEQGI-GFCCVEGCSA-N 0 1 395.452 1.705 20 0 GDADMN C[C@@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573616203 947619338 /nfs/dbraw/zinc/61/93/38/947619338.db2.gz VSCBDKKHKNUUBU-KZULUSFZSA-N 0 1 382.428 1.126 20 0 GDADMN C=Cc1ccc(C(=O)N(C)CCCN(C)c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573352182 947627249 /nfs/dbraw/zinc/62/72/49/947627249.db2.gz XVCPWAXYNGTCJY-UHFFFAOYSA-N 0 1 378.440 1.898 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC2([C@H](O)C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826229595 947672167 /nfs/dbraw/zinc/67/21/67/947672167.db2.gz KHQRGAZDHCIBNN-LLVKDONJSA-N 0 1 378.458 1.216 20 0 GDADMN C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573358887 947672178 /nfs/dbraw/zinc/67/21/78/947672178.db2.gz KZVGLXQYTSPZDB-OAHLLOKOSA-N 0 1 390.451 1.946 20 0 GDADMN C[C@H](C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1)C(C)(C)C ZINC001573623470 947687621 /nfs/dbraw/zinc/68/76/21/947687621.db2.gz GEJVUTQHAPDADE-CYBMUJFWSA-N 0 1 387.488 1.131 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccc(F)c1 ZINC001573624840 947696620 /nfs/dbraw/zinc/69/66/20/947696620.db2.gz MSKPAGZLJQAAMI-WFASDCNBSA-N 0 1 381.415 1.639 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573628048 947743141 /nfs/dbraw/zinc/74/31/41/947743141.db2.gz HRANHNIRNWCWKY-VXGBXAGGSA-N 0 1 392.427 1.302 20 0 GDADMN C[C@H](C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1)C(C)(C)C ZINC001573628010 947743169 /nfs/dbraw/zinc/74/31/69/947743169.db2.gz FBRBETJILGWGMR-BFUOFWGJSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C1CCC1 ZINC001573638208 947835447 /nfs/dbraw/zinc/83/54/47/947835447.db2.gz JJOJRIJAHJTSIQ-VHDGCEQUSA-N 0 1 382.472 1.520 20 0 GDADMN C[C@@H](C(=O)N1CCO[C@@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573644154 947869582 /nfs/dbraw/zinc/86/95/82/947869582.db2.gz ZCEDEECTJNSTNZ-WBMJQRKESA-N 0 1 388.447 1.369 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H](C)N(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573381342 947872260 /nfs/dbraw/zinc/87/22/60/947872260.db2.gz TXDCESHFTQAJPN-GFCCVEGCSA-N 0 1 376.436 1.702 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)c1ccco1 ZINC001573647448 947894260 /nfs/dbraw/zinc/89/42/60/947894260.db2.gz LIHLLLVPZQZOES-MCIONIFRSA-N 0 1 379.424 1.553 20 0 GDADMN CC(=O)CCCC(=O)N[C@H]1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573384625 947907323 /nfs/dbraw/zinc/90/73/23/947907323.db2.gz UNJQBMAKNORSNW-SHTZXODSSA-N 0 1 385.472 1.591 20 0 GDADMN C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccn1 ZINC001573652643 947943968 /nfs/dbraw/zinc/94/39/68/947943968.db2.gz FSNSFLMGOHFDQS-SMDDNHRTSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccn1 ZINC001573652643 947943974 /nfs/dbraw/zinc/94/39/74/947943974.db2.gz FSNSFLMGOHFDQS-SMDDNHRTSA-N 0 1 386.485 1.370 20 0 GDADMN Cc1onc(CC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1-c1nnn[n-]1 ZINC000826344166 948003167 /nfs/dbraw/zinc/00/31/67/948003167.db2.gz ZCZJFGRFLLIYEF-UHFFFAOYSA-N 0 1 395.467 1.829 20 0 GDADMN Cc1onc(CC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1-c1nn[n-]n1 ZINC000826344166 948003175 /nfs/dbraw/zinc/00/31/75/948003175.db2.gz ZCZJFGRFLLIYEF-UHFFFAOYSA-N 0 1 395.467 1.829 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2)n1cccc1 ZINC001573663122 948032718 /nfs/dbraw/zinc/03/27/18/948032718.db2.gz JDOTYBHRNBUMLH-WMLDXEAASA-N 0 1 392.467 1.800 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346904 948046848 /nfs/dbraw/zinc/04/68/48/948046848.db2.gz YPIRJQHONSZZOF-VXGBXAGGSA-N 0 1 375.477 1.578 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346904 948046857 /nfs/dbraw/zinc/04/68/57/948046857.db2.gz YPIRJQHONSZZOF-VXGBXAGGSA-N 0 1 375.477 1.578 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(C)C ZINC001573664361 948052704 /nfs/dbraw/zinc/05/27/04/948052704.db2.gz UNKAAIVUJGHYLV-CHWSQXEVSA-N 0 1 384.488 1.814 20 0 GDADMN C[C@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1)[C@H]1CCCO1 ZINC001573664721 948059310 /nfs/dbraw/zinc/05/93/10/948059310.db2.gz XTJZSUBMHRIXBO-XJKSGUPXSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573666254 948084213 /nfs/dbraw/zinc/08/42/13/948084213.db2.gz RNXMUFHROKEILI-HUUCEWRRSA-N 0 1 380.456 1.800 20 0 GDADMN CC(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)=C1CCC1 ZINC001573671402 948107296 /nfs/dbraw/zinc/10/72/96/948107296.db2.gz GAXWOUHYJJIKJV-CQSZACIVSA-N 0 1 382.472 1.878 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC001573678619 948153318 /nfs/dbraw/zinc/15/33/18/948153318.db2.gz FOSIVKUPHYOEHU-MNOVXSKESA-N 0 1 392.510 1.360 20 0 GDADMN NC(=O)[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826388697 948196418 /nfs/dbraw/zinc/19/64/18/948196418.db2.gz HGZWJKHZRUUNBN-DOTOQJQBSA-N 0 1 397.870 1.915 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1)C1CC1 ZINC001573691348 948239027 /nfs/dbraw/zinc/23/90/27/948239027.db2.gz FPUHVVRKQSNQSM-GFCCVEGCSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1)C1CC1 ZINC001573691348 948239036 /nfs/dbraw/zinc/23/90/36/948239036.db2.gz FPUHVVRKQSNQSM-GFCCVEGCSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)c1ccco1 ZINC001573692322 948261020 /nfs/dbraw/zinc/26/10/20/948261020.db2.gz ODJLZUMLUCNQEN-GFCCVEGCSA-N 0 1 382.428 1.316 20 0 GDADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)C(C)(F)F ZINC001573693842 948289959 /nfs/dbraw/zinc/28/99/59/948289959.db2.gz ZUAOILBYQZHOQL-JTQLQIEISA-N 0 1 380.403 1.211 20 0 GDADMN C[C@H](C(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)C1CC1 ZINC001573694266 948291385 /nfs/dbraw/zinc/29/13/85/948291385.db2.gz BYQIYFXGQWGBJS-HXPMCKFVSA-N 0 1 388.447 1.105 20 0 GDADMN O=C1[C@H](N2CCC([C@@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477037 948385072 /nfs/dbraw/zinc/38/50/72/948385072.db2.gz UOZKVKSHSUSLKI-SJLPKXTDSA-N 0 1 382.468 1.721 20 0 GDADMN O=C1[C@@H](N2CCC([C@@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477035 948386238 /nfs/dbraw/zinc/38/62/38/948386238.db2.gz UOZKVKSHSUSLKI-AEFFLSMTSA-N 0 1 382.468 1.721 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573705407 948400456 /nfs/dbraw/zinc/40/04/56/948400456.db2.gz WNIILRKHVWAQPX-KBPBESRZSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cccn1 ZINC001573707543 948435469 /nfs/dbraw/zinc/43/54/69/948435469.db2.gz PVQOORLNXJUMQR-STQMWFEESA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573707543 948435475 /nfs/dbraw/zinc/43/54/75/948435475.db2.gz PVQOORLNXJUMQR-STQMWFEESA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573707543 948435479 /nfs/dbraw/zinc/43/54/79/948435479.db2.gz PVQOORLNXJUMQR-STQMWFEESA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573707543 948435486 /nfs/dbraw/zinc/43/54/86/948435486.db2.gz PVQOORLNXJUMQR-STQMWFEESA-N 0 1 386.485 1.324 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573707543 948435492 /nfs/dbraw/zinc/43/54/92/948435492.db2.gz PVQOORLNXJUMQR-STQMWFEESA-N 0 1 386.485 1.324 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573713665 948465306 /nfs/dbraw/zinc/46/53/06/948465306.db2.gz AUAIQDFLRZWFAS-VXGBXAGGSA-N 0 1 379.415 1.886 20 0 GDADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573714296 948471543 /nfs/dbraw/zinc/47/15/43/948471543.db2.gz FLLWRIZKYXMACP-KGLIPLIRSA-N 0 1 381.444 1.052 20 0 GDADMN C[C@H](C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C(C)(C)C ZINC001573716563 948500841 /nfs/dbraw/zinc/50/08/41/948500841.db2.gz HWPYPEQJJJPFPA-MGPQQGTHSA-N 0 1 386.504 1.918 20 0 GDADMN C[C@@H](C(=O)NCCN1CCC(Nc2ncccc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573721031 948537779 /nfs/dbraw/zinc/53/77/79/948537779.db2.gz VJAOCOJYJUBWBS-CYBMUJFWSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H](C(=O)NCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001573721038 948538214 /nfs/dbraw/zinc/53/82/14/948538214.db2.gz VOOMKGZNRMJWGC-OAHLLOKOSA-N 0 1 383.500 1.147 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573725530 948541598 /nfs/dbraw/zinc/54/15/98/948541598.db2.gz AETLWTIMDAEBBM-UPJWGTAASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573725530 948541602 /nfs/dbraw/zinc/54/16/02/948541602.db2.gz AETLWTIMDAEBBM-UPJWGTAASA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573730523 948580773 /nfs/dbraw/zinc/58/07/73/948580773.db2.gz QKPRBCXVCPLNMR-NQBHXWOUSA-N 0 1 384.469 1.251 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573740431 948634793 /nfs/dbraw/zinc/63/47/93/948634793.db2.gz OWOKPIWYSDJIKT-JLIMGVALSA-N 0 1 382.350 1.081 20 0 GDADMN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1-c1nn[nH]n1)n1cccn1 ZINC001573740822 948643006 /nfs/dbraw/zinc/64/30/06/948643006.db2.gz TVNOKADDCOKAHO-UWIFEVILSA-N 0 1 392.467 1.546 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001573742664 948662626 /nfs/dbraw/zinc/66/26/26/948662626.db2.gz PEYLGFQYOWDHFE-RKDXNWHRSA-N 0 1 392.876 1.514 20 0 GDADMN CC(C)[C@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001574075071 948741884 /nfs/dbraw/zinc/74/18/84/948741884.db2.gz ZYLXRFSUGAZFDV-XPCVCDNBSA-N 0 1 378.477 1.716 20 0 GDADMN CC(C)[C@H](F)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001574075071 948741889 /nfs/dbraw/zinc/74/18/89/948741889.db2.gz ZYLXRFSUGAZFDV-XPCVCDNBSA-N 0 1 378.477 1.716 20 0 GDADMN CC(C)[C@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001574075071 948741894 /nfs/dbraw/zinc/74/18/94/948741894.db2.gz ZYLXRFSUGAZFDV-XPCVCDNBSA-N 0 1 378.477 1.716 20 0 GDADMN CC(C)[C@H](F)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001574075071 948741902 /nfs/dbraw/zinc/74/19/02/948741902.db2.gz ZYLXRFSUGAZFDV-XPCVCDNBSA-N 0 1 378.477 1.716 20 0 GDADMN CC(C)[C@@H](F)C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574075637 948746886 /nfs/dbraw/zinc/74/68/86/948746886.db2.gz XPTFLTFCSQIPNF-TZMCWYRMSA-N 0 1 376.440 1.326 20 0 GDADMN CC(C)[C@@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574075659 948747283 /nfs/dbraw/zinc/74/72/83/948747283.db2.gz YJTUMDPGDXCAQY-KDOFPFPSSA-N 0 1 388.451 1.470 20 0 GDADMN CC(C)c1cccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574416729 948760084 /nfs/dbraw/zinc/76/00/84/948760084.db2.gz FPRXJXGRYCZQOB-GFCCVEGCSA-N 0 1 381.444 1.430 20 0 GDADMN C[C@H](CNC(=O)CCc1cnc[nH]1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574915867 948774021 /nfs/dbraw/zinc/77/40/21/948774021.db2.gz YIKNZKSYYDXYNM-SNVBAGLBSA-N 0 1 389.851 1.212 20 0 GDADMN CC(F)(F)C1(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001575224457 948783940 /nfs/dbraw/zinc/78/39/40/948783940.db2.gz WIVXKLFRHHBQSV-UHFFFAOYSA-N 0 1 376.411 1.850 20 0 GDADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001573756144 948799964 /nfs/dbraw/zinc/79/99/64/948799964.db2.gz MFOOCSVHXWCDJE-LSBZLQRGSA-N 0 1 392.463 1.729 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccon1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574917325 948814580 /nfs/dbraw/zinc/81/45/80/948814580.db2.gz WPEUBNHGUBDSIK-ZETCQYMHSA-N 0 1 382.837 1.514 20 0 GDADMN CC(C)[C@H](F)C(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574081284 948828019 /nfs/dbraw/zinc/82/80/19/948828019.db2.gz RSMXFBFMWXPZNP-AWEZNQCLSA-N 0 1 376.440 1.374 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574422239 948830053 /nfs/dbraw/zinc/83/00/53/948830053.db2.gz XRYPROMRPXBCNW-ZDUSSCGKSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)c1ccoc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574422236 948830420 /nfs/dbraw/zinc/83/04/20/948830420.db2.gz XRYPROMRPXBCNW-CYBMUJFWSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1C ZINC001574081549 948830896 /nfs/dbraw/zinc/83/08/96/948830896.db2.gz UITNPBLKKBMXEC-HFBAOOFYSA-N 0 1 378.427 1.936 20 0 GDADMN CC(F)(F)CC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001575230014 948864034 /nfs/dbraw/zinc/86/40/34/948864034.db2.gz ZACITTINTZWWJS-LURJTMIESA-N 0 1 377.808 1.717 20 0 GDADMN CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cs1 ZINC001574425751 948884506 /nfs/dbraw/zinc/88/45/06/948884506.db2.gz MUOFLLXHBZYMBL-AOOOYVTPSA-N 0 1 385.457 1.031 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573764281 948887821 /nfs/dbraw/zinc/88/78/21/948887821.db2.gz LLHPYPJYFARGNE-ZIAGYGMSSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](CNC(=O)CCc1cncs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920343 948899959 /nfs/dbraw/zinc/89/99/59/948899959.db2.gz JBYNSZFRQGHANI-NSHDSACASA-N 0 1 389.460 1.689 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ncccn1 ZINC001574685247 948902958 /nfs/dbraw/zinc/90/29/58/948902958.db2.gz UFBMGEBLALKXLY-ZETCQYMHSA-N 0 1 379.837 1.387 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234764 948906476 /nfs/dbraw/zinc/90/64/76/948906476.db2.gz DTOUYLATBHTMGL-OAHLLOKOSA-N 0 1 380.403 1.165 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ccnn1C ZINC001574685768 948919830 /nfs/dbraw/zinc/91/98/30/948919830.db2.gz ZRJFQNBRMZJHRU-ZETCQYMHSA-N 0 1 381.853 1.331 20 0 GDADMN CC(C)c1ncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001574427997 948922538 /nfs/dbraw/zinc/92/25/38/948922538.db2.gz XFAMVINNEQDIBU-JTQLQIEISA-N 0 1 385.457 1.245 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575235582 948923664 /nfs/dbraw/zinc/92/36/64/948923664.db2.gz PNRCYPKSBVNMAN-KRWDZBQOSA-N 0 1 392.414 1.521 20 0 GDADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001574089360 948953558 /nfs/dbraw/zinc/95/35/58/948953558.db2.gz JNHYZIYEUBMZHL-FZKQIMNGSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089955 948972374 /nfs/dbraw/zinc/97/23/74/948972374.db2.gz GSQDRDVSXVUKFF-CABCVRRESA-N 0 1 384.488 1.624 20 0 GDADMN CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573773083 948972771 /nfs/dbraw/zinc/97/27/71/948972771.db2.gz GISQILZYRZVJGU-QMMMGPOBSA-N 0 1 392.407 1.083 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574926240 948991588 /nfs/dbraw/zinc/99/15/88/948991588.db2.gz LQYZTIGLQOCITH-MRVPVSSYSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926240 948991617 /nfs/dbraw/zinc/99/16/17/948991617.db2.gz LQYZTIGLQOCITH-MRVPVSSYSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574926240 948991625 /nfs/dbraw/zinc/99/16/25/948991625.db2.gz LQYZTIGLQOCITH-MRVPVSSYSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574926365 948996946 /nfs/dbraw/zinc/99/69/46/948996946.db2.gz OMVRMESOIQHPOR-ZDUSSCGKSA-N 0 1 391.495 1.925 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574926365 948996961 /nfs/dbraw/zinc/99/69/61/948996961.db2.gz OMVRMESOIQHPOR-ZDUSSCGKSA-N 0 1 391.495 1.925 20 0 GDADMN C[C@H](CNC(=O)COC(C)(C)C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574928295 949053856 /nfs/dbraw/zinc/05/38/56/949053856.db2.gz OMJRIBBPYCNHNH-MRVPVSSYSA-N 0 1 387.897 1.956 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574693782 949060218 /nfs/dbraw/zinc/06/02/18/949060218.db2.gz JGCHKTPZUBIGRR-ZDUSSCGKSA-N 0 1 380.456 1.315 20 0 GDADMN CC(C)c1occc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441796 949077504 /nfs/dbraw/zinc/07/75/04/949077504.db2.gz XHYCAEQKSKMLDZ-WCQYABFASA-N 0 1 382.428 1.368 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573780297 949088628 /nfs/dbraw/zinc/08/86/28/949088628.db2.gz VMNCVYPVTZODRI-AWEZNQCLSA-N 0 1 392.467 1.577 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C12CCC(CC1)C2(C)C ZINC001575252071 949156363 /nfs/dbraw/zinc/15/63/63/949156363.db2.gz DRGMQEYRIVBPEP-MLUJGOTHSA-N 0 1 384.488 1.600 20 0 GDADMN C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 ZINC001575514146 949164690 /nfs/dbraw/zinc/16/46/90/949164690.db2.gz BFDLPDXFBHJFAC-XYPHTWIQSA-N 0 1 377.452 1.960 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573787136 949166050 /nfs/dbraw/zinc/16/60/50/949166050.db2.gz MXTFSHMOQODBNH-MGCOHNPYSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@H](NC(=O)C1(F)CCOCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575253633 949193798 /nfs/dbraw/zinc/19/37/98/949193798.db2.gz KZKTXFOIKIBOPS-ZDUSSCGKSA-N 0 1 388.447 1.322 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935772 949204907 /nfs/dbraw/zinc/20/49/07/949204907.db2.gz GHFXXPKIBGEHHL-JTQLQIEISA-N 0 1 388.382 1.119 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698911 949218168 /nfs/dbraw/zinc/21/81/68/949218168.db2.gz PYFRZUHGXLZWLE-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574698911 949218191 /nfs/dbraw/zinc/21/81/91/949218191.db2.gz PYFRZUHGXLZWLE-KBPBESRZSA-N 0 1 387.492 1.180 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC001589605223 949241296 /nfs/dbraw/zinc/24/12/96/949241296.db2.gz NMSYFTOOMBBZKQ-SFHVURJKSA-N 0 1 397.497 1.452 20 0 GDADMN C[C@@H]1CCC[C@H](C(=O)N2CCC(N(C)c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576152206 949243551 /nfs/dbraw/zinc/24/35/51/949243551.db2.gz IZNLLCJYOGKZEA-KGLIPLIRSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574940230 949255422 /nfs/dbraw/zinc/25/54/22/949255422.db2.gz CAKVTZJOLMYAKX-LLVKDONJSA-N 0 1 386.847 1.494 20 0 GDADMN CC1=C(C)C[C@H](C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575860495 949305452 /nfs/dbraw/zinc/30/54/52/949305452.db2.gz JHJNEOYJURTNAB-LSDHHAIUSA-N 0 1 382.472 1.736 20 0 GDADMN C[C@@H](c1ncccn1)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575524154 949311239 /nfs/dbraw/zinc/31/12/39/949311239.db2.gz SJAAFUJNZOTVKB-STQMWFEESA-N 0 1 381.444 1.188 20 0 GDADMN CC(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574108992 949311400 /nfs/dbraw/zinc/31/14/00/949311400.db2.gz UAISKWNHDNFIIU-QGZVFWFLSA-N 0 1 378.502 1.417 20 0 GDADMN CC(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574108992 949311419 /nfs/dbraw/zinc/31/14/19/949311419.db2.gz UAISKWNHDNFIIU-QGZVFWFLSA-N 0 1 378.502 1.417 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1ccncc1-c1nn[nH]n1 ZINC001574703521 949333371 /nfs/dbraw/zinc/33/33/71/949333371.db2.gz DMTSBROEZHGKQL-JJYIYXIDSA-N 0 1 389.463 1.528 20 0 GDADMN CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573796524 949339826 /nfs/dbraw/zinc/33/98/26/949339826.db2.gz SGVBMDTZKSYIEW-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573796524 949339838 /nfs/dbraw/zinc/33/98/38/949339838.db2.gz SGVBMDTZKSYIEW-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001576155309 949394704 /nfs/dbraw/zinc/39/47/04/949394704.db2.gz HWUNIMPMDLSWGS-ZQDZILKHSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@@H]1CCC[C@@H](C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576155816 949419689 /nfs/dbraw/zinc/41/96/89/949419689.db2.gz VGJJAOJEAHCEMO-UKRRQHHQSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574945756 949421283 /nfs/dbraw/zinc/42/12/83/949421283.db2.gz NNNXULZCFBLJLD-SNVBAGLBSA-N 0 1 384.469 1.177 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@H](CCNc3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575534191 949423017 /nfs/dbraw/zinc/42/30/17/949423017.db2.gz KXLKLSLTLGRICA-AUUYWEPGSA-N 0 1 385.472 1.151 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575265254 949441498 /nfs/dbraw/zinc/44/14/98/949441498.db2.gz SNSUDYNHBCGHNI-STQMWFEESA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575265254 949441515 /nfs/dbraw/zinc/44/15/15/949441515.db2.gz SNSUDYNHBCGHNI-STQMWFEESA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F ZINC001573803953 949457725 /nfs/dbraw/zinc/45/77/25/949457725.db2.gz YFLSRIMTVQJSSL-SNVBAGLBSA-N 0 1 380.403 1.281 20 0 GDADMN C[C@H](CNC(=O)OC(C)(C)C)N(C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001574950001 949522719 /nfs/dbraw/zinc/52/27/19/949522719.db2.gz JLPUATHJLJDXFB-IUODEOHRSA-N 0 1 376.461 1.745 20 0 GDADMN C[C@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001574711174 949528143 /nfs/dbraw/zinc/52/81/43/949528143.db2.gz DXTIJBVEMURCNX-SNVBAGLBSA-N 0 1 385.394 1.921 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]([C@@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CC1 ZINC001575539052 949539538 /nfs/dbraw/zinc/53/95/38/949539538.db2.gz LWAFUUHEVAGSMD-ZIAGYGMSSA-N 0 1 382.472 1.522 20 0 GDADMN O=C([O-])c1ccccc1C1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC001595250147 949549471 /nfs/dbraw/zinc/54/94/71/949549471.db2.gz BZBOTLKDUWQYOG-UHFFFAOYSA-N 0 1 375.469 1.996 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270718 949601668 /nfs/dbraw/zinc/60/16/68/949601668.db2.gz FNKLUWOMOHXDRG-ZIAGYGMSSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270718 949601681 /nfs/dbraw/zinc/60/16/81/949601681.db2.gz FNKLUWOMOHXDRG-ZIAGYGMSSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001575545503 949601974 /nfs/dbraw/zinc/60/19/74/949601974.db2.gz LFKLINASFGPMQS-PXAZEXFGSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001575545503 949601991 /nfs/dbraw/zinc/60/19/91/949601991.db2.gz LFKLINASFGPMQS-PXAZEXFGSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168083 949627096 /nfs/dbraw/zinc/62/70/96/949627096.db2.gz SRFXGPLDPQJXIH-JQWIXIFHSA-N 0 1 392.414 1.163 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C(C1CC1)C1CC1 ZINC001573814282 949640260 /nfs/dbraw/zinc/64/02/60/949640260.db2.gz CRSPPLVMUUYYDQ-ZDUSSCGKSA-N 0 1 384.488 1.458 20 0 GDADMN CC1(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCCCCC1 ZINC001575548182 949662000 /nfs/dbraw/zinc/66/20/00/949662000.db2.gz TZCVBOYRRWNMND-CQSZACIVSA-N 0 1 384.488 1.842 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1csc(=O)[nH]1 ZINC001573818100 949716752 /nfs/dbraw/zinc/71/67/52/949716752.db2.gz GCYSXXRMXHOHBS-LBPRGKRZSA-N 0 1 388.457 1.102 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574717387 949738591 /nfs/dbraw/zinc/73/85/91/949738591.db2.gz VNXOHTJVDSWNSW-WFASDCNBSA-N 0 1 376.436 1.511 20 0 GDADMN C[C@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCCOC1 ZINC001575558742 949740725 /nfs/dbraw/zinc/74/07/25/949740725.db2.gz RQOLYUBOFKYXRS-KSSFIOAISA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCCOC1 ZINC001575558742 949740740 /nfs/dbraw/zinc/74/07/40/949740740.db2.gz RQOLYUBOFKYXRS-KSSFIOAISA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574480133 949744629 /nfs/dbraw/zinc/74/46/29/949744629.db2.gz GYPUCJOQNQDCQK-QWHCGFSZSA-N 0 1 382.428 1.126 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574480438 949747556 /nfs/dbraw/zinc/74/75/56/949747556.db2.gz IJXTZFABPPTHMD-ZBFHGGJFSA-N 0 1 392.467 1.888 20 0 GDADMN C[C@H](CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574963766 949757987 /nfs/dbraw/zinc/75/79/87/949757987.db2.gz MTMCGSFNSQYWRK-BPLDGKMQSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCC1(F)F ZINC001573820286 949762657 /nfs/dbraw/zinc/76/26/57/949762657.db2.gz XCJFMQNMDGUIEW-DGCLKSJQSA-N 0 1 379.415 1.672 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576171455 949767619 /nfs/dbraw/zinc/76/76/19/949767619.db2.gz QPJJQHOKBDHQIY-KGLIPLIRSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576171455 949767637 /nfs/dbraw/zinc/76/76/37/949767637.db2.gz QPJJQHOKBDHQIY-KGLIPLIRSA-N 0 1 387.492 1.038 20 0 GDADMN CC1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCCC1 ZINC001575559969 949770808 /nfs/dbraw/zinc/77/08/08/949770808.db2.gz ZXDKTGWBYDUGNC-KGLIPLIRSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172100 949792051 /nfs/dbraw/zinc/79/20/51/949792051.db2.gz UYFIELCQPZNWJW-CHWSQXEVSA-N 0 1 376.440 1.257 20 0 GDADMN C[C@H](CNC(=O)c1c(Cl)cnn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574965240 949797531 /nfs/dbraw/zinc/79/75/31/949797531.db2.gz DOVLAHSLUDXZJP-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN C[C@H]1CCCN(C(=O)CC2CCC2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576172580 949813019 /nfs/dbraw/zinc/81/30/19/949813019.db2.gz XONSGISQNPZHPK-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001574481953 949816428 /nfs/dbraw/zinc/81/64/28/949816428.db2.gz XXORCQYKAMAXPC-OLZOCXBDSA-N 0 1 386.485 1.467 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001574481953 949816452 /nfs/dbraw/zinc/81/64/52/949816452.db2.gz XXORCQYKAMAXPC-OLZOCXBDSA-N 0 1 386.485 1.467 20 0 GDADMN CC(C)C[C@H](C)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574139527 949818110 /nfs/dbraw/zinc/81/81/10/949818110.db2.gz KCSOBFMXZGJSOO-KBPBESRZSA-N 0 1 388.476 1.050 20 0 GDADMN C[C@H](CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccco1 ZINC001574483881 949841209 /nfs/dbraw/zinc/84/12/09/949841209.db2.gz OGPVQVXYAVHMJA-HZSPNIEDSA-N 0 1 394.439 1.481 20 0 GDADMN CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4ccnc(-c5nn[nH]n5)n4)C3)(C1)C2 ZINC001573825318 949873939 /nfs/dbraw/zinc/87/39/39/949873939.db2.gz ROYIYPYCSTXVQA-PIHIASKNSA-N 0 1 382.472 1.308 20 0 GDADMN CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4ccnc(-c5nn[nH]n5)n4)C3)(C1)C2 ZINC001573825319 949874645 /nfs/dbraw/zinc/87/46/45/949874645.db2.gz ROYIYPYCSTXVQA-RMEHTXHKSA-N 0 1 382.472 1.308 20 0 GDADMN CC(C)(C)C1CC(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573825399 949879340 /nfs/dbraw/zinc/87/93/40/949879340.db2.gz UODNZOQMILOKIU-WXRRBKDZSA-N 0 1 392.529 1.567 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cncc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574968882 949912307 /nfs/dbraw/zinc/91/23/07/949912307.db2.gz UWSOGWYLIPUNKI-VIFPVBQESA-N 0 1 391.357 1.587 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ncc[nH]1 ZINC001574150318 950024162 /nfs/dbraw/zinc/02/41/62/950024162.db2.gz BGJYHJACGJIQCP-LBPRGKRZSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccnn1C ZINC001574150256 950025845 /nfs/dbraw/zinc/02/58/45/950025845.db2.gz AUTWLBBEKKYECE-LBPRGKRZSA-N 0 1 388.501 1.596 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccnn1C ZINC001574150256 950025871 /nfs/dbraw/zinc/02/58/71/950025871.db2.gz AUTWLBBEKKYECE-LBPRGKRZSA-N 0 1 388.501 1.596 20 0 GDADMN C[C@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574491607 950039287 /nfs/dbraw/zinc/03/92/87/950039287.db2.gz DXEAYBHNBHGXCS-JLTOFOAXSA-N 0 1 392.467 1.936 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574151317 950070235 /nfs/dbraw/zinc/07/02/35/950070235.db2.gz PDGOXOFUCXTWDL-YYWXWVFPSA-N 0 1 390.513 1.441 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574151317 950070264 /nfs/dbraw/zinc/07/02/64/950070264.db2.gz PDGOXOFUCXTWDL-YYWXWVFPSA-N 0 1 390.513 1.441 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ncccn1 ZINC001574151440 950076183 /nfs/dbraw/zinc/07/61/83/950076183.db2.gz REXJAMPHRKHTCD-GFCCVEGCSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ncccn1 ZINC001574151440 950076206 /nfs/dbraw/zinc/07/62/06/950076206.db2.gz REXJAMPHRKHTCD-GFCCVEGCSA-N 0 1 386.485 1.653 20 0 GDADMN C[C@H](CC(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001574492438 950084566 /nfs/dbraw/zinc/08/45/66/950084566.db2.gz MTUIIVXEWMCSMM-TVZGQMOCSA-N 0 1 382.472 1.711 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCOC1 ZINC001574151668 950088663 /nfs/dbraw/zinc/08/86/63/950088663.db2.gz XQWNEJYJNRSCLB-CHWSQXEVSA-N 0 1 378.502 1.585 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCOC1 ZINC001574151668 950088680 /nfs/dbraw/zinc/08/86/80/950088680.db2.gz XQWNEJYJNRSCLB-CHWSQXEVSA-N 0 1 378.502 1.585 20 0 GDADMN CC1(C(=O)NC[C@]2(O)CCN(Cc3ccc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001575582005 950095648 /nfs/dbraw/zinc/09/56/48/950095648.db2.gz BIEUWTDJPCJWMA-LJQANCHMSA-N 0 1 388.447 1.249 20 0 GDADMN C[C@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184864 950142530 /nfs/dbraw/zinc/14/25/30/950142530.db2.gz XGOATRNQXPXZOC-ZFWWWQNUSA-N 0 1 383.456 1.274 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cnccn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575897701 950145115 /nfs/dbraw/zinc/14/51/15/950145115.db2.gz QFVIVSUMSAYYSM-CZUORRHYSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575583956 950158226 /nfs/dbraw/zinc/15/82/26/950158226.db2.gz NZWQGJMADLBWPT-IFXJQAMLSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2cccnn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575899746 950178540 /nfs/dbraw/zinc/17/85/40/950178540.db2.gz YMWUTEHSSMDSPP-CZUORRHYSA-N 0 1 378.440 1.440 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)n1cccc1 ZINC001574156206 950234845 /nfs/dbraw/zinc/23/48/45/950234845.db2.gz YXTKWTDDYYGWPV-KBPBESRZSA-N 0 1 383.460 1.084 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCOC1 ZINC001574157525 950241754 /nfs/dbraw/zinc/24/17/54/950241754.db2.gz CGXYWBMOLSOZAU-HUUCEWRRSA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cscn1 ZINC001574157991 950269599 /nfs/dbraw/zinc/26/95/99/950269599.db2.gz MFSIGCXEROEKBV-GFCCVEGCSA-N 0 1 386.485 1.326 20 0 GDADMN C[C@]1(C(=O)NCCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575592686 950298485 /nfs/dbraw/zinc/29/84/85/950298485.db2.gz JJNLNQJTIIDYSP-IBGZPJMESA-N 0 1 385.472 1.411 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1CCC(O)CC1 ZINC001574159309 950299224 /nfs/dbraw/zinc/29/92/24/950299224.db2.gz WCIOMJZGTWQZFA-SLTAFYQDSA-N 0 1 387.488 1.178 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 ZINC001574501515 950338176 /nfs/dbraw/zinc/33/81/76/950338176.db2.gz FFIYPDDSNIOPJQ-KBXCAEBGSA-N 0 1 384.484 1.620 20 0 GDADMN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2c[nH]nc2-c2nn[nH]n2)C1 ZINC001573854310 950339676 /nfs/dbraw/zinc/33/96/76/950339676.db2.gz ZZYGVWQWZGDWBW-MRVPVSSYSA-N 0 1 398.374 1.421 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnns1 ZINC001575908542 950369964 /nfs/dbraw/zinc/36/99/64/950369964.db2.gz UXGLFKJRKOWDLF-WCBMZHEXSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cnns1 ZINC001575908542 950369985 /nfs/dbraw/zinc/36/99/85/950369985.db2.gz UXGLFKJRKOWDLF-WCBMZHEXSA-N 0 1 376.471 1.173 20 0 GDADMN CC1(C(=O)NC[C@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)CCCO2)CCC1 ZINC001575596548 950377853 /nfs/dbraw/zinc/37/78/53/950377853.db2.gz TVBDOPRIDPPEMG-KRWDZBQOSA-N 0 1 384.484 1.764 20 0 GDADMN CC(C)CC1(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162699 950395499 /nfs/dbraw/zinc/39/54/99/950395499.db2.gz HCTCMTPBSJLXDM-AWEZNQCLSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)CC1(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574162960 950414974 /nfs/dbraw/zinc/41/49/74/950414974.db2.gz OBQYQTCTYUIGMY-UHFFFAOYSA-N 0 1 384.488 1.696 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576198830 950415416 /nfs/dbraw/zinc/41/54/16/950415416.db2.gz VQXHQUYUVAYHFE-GDBMZVCRSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576198830 950415431 /nfs/dbraw/zinc/41/54/31/950415431.db2.gz VQXHQUYUVAYHFE-GDBMZVCRSA-N 0 1 384.488 1.031 20 0 GDADMN CC(C)CC1(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574165309 950445758 /nfs/dbraw/zinc/44/57/58/950445758.db2.gz CWIBIJBKKPNQLA-UHFFFAOYSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751650 950461134 /nfs/dbraw/zinc/46/11/34/950461134.db2.gz PVBBQHIBRJIRDK-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)c1cccc2n[nH]cc21 ZINC001575912542 950465515 /nfs/dbraw/zinc/46/55/15/950465515.db2.gz GZVSOEUBXPYPFS-ABAIWWIYSA-N 0 1 389.423 1.853 20 0 GDADMN C[C@@H](CCNC(=O)C[C@H](C)c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574508671 950480546 /nfs/dbraw/zinc/48/05/46/950480546.db2.gz LSQDVWSZEADMQX-KBPBESRZSA-N 0 1 380.456 1.579 20 0 GDADMN CC1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCC(F)(F)CC1 ZINC001575607113 950503335 /nfs/dbraw/zinc/50/33/35/950503335.db2.gz HTHHFIHTOOBWPS-PHIMTYICSA-N 0 1 392.414 1.353 20 0 GDADMN C[C@@]1(CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380026771 971671117 /nfs/dbraw/zinc/67/11/17/971671117.db2.gz VGBLUBLUXMGORD-PXNSSMCTSA-N 0 1 375.469 1.784 20 0 GDADMN C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206345 950570038 /nfs/dbraw/zinc/57/00/38/950570038.db2.gz WVJAHKWGAHXZNU-STQMWFEESA-N 0 1 375.452 1.654 20 0 GDADMN C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001576206345 950570062 /nfs/dbraw/zinc/57/00/62/950570062.db2.gz WVJAHKWGAHXZNU-STQMWFEESA-N 0 1 375.452 1.654 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc(F)ccc1F ZINC001574754678 950577055 /nfs/dbraw/zinc/57/70/55/950577055.db2.gz ODIPXTIBSNOXEK-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575918162 950587947 /nfs/dbraw/zinc/58/79/47/950587947.db2.gz AUHXRPVEKIMXIV-JQWIXIFHSA-N 0 1 392.414 1.305 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575918777 950599573 /nfs/dbraw/zinc/59/95/73/950599573.db2.gz FAXZHTFPEZAUFK-SCLBCKFNSA-N 0 1 389.463 1.500 20 0 GDADMN CC1CCN(CC(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[nH]n3)C2)CC1 ZINC001576208662 950615058 /nfs/dbraw/zinc/61/50/58/950615058.db2.gz ROJNUABXYGVBJC-CQSZACIVSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576208681 950618764 /nfs/dbraw/zinc/61/87/64/950618764.db2.gz SHABQDCJQTZFLI-MCIONIFRSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576208681 950618779 /nfs/dbraw/zinc/61/87/79/950618779.db2.gz SHABQDCJQTZFLI-MCIONIFRSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccnn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574759546 950638232 /nfs/dbraw/zinc/63/82/32/950638232.db2.gz NUNQTYQTSZJYIS-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575922645 950649173 /nfs/dbraw/zinc/64/91/73/950649173.db2.gz ACACJFKECPTMDT-GWCFXTLKSA-N 0 1 380.412 1.264 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1c[nH]c2ncccc12 ZINC001575923572 950664469 /nfs/dbraw/zinc/66/44/69/950664469.db2.gz CEIYQRQDPSEKCF-NHYWBVRUSA-N 0 1 389.423 1.275 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc2ccccc12 ZINC001575924325 950671180 /nfs/dbraw/zinc/67/11/80/950671180.db2.gz SBTRODPOKPDXNS-FZMZJTMJSA-N 0 1 390.407 1.540 20 0 GDADMN C[C@H](CNC(=O)c1cc[nH]c(=O)c1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575005538 950688353 /nfs/dbraw/zinc/68/83/53/950688353.db2.gz HMYDRGXEJWAUBD-LLVKDONJSA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccccc1Cl ZINC001575926274 950705498 /nfs/dbraw/zinc/70/54/98/950705498.db2.gz XFBQPKZJVHUXTN-GWCFXTLKSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575926829 950724884 /nfs/dbraw/zinc/72/48/84/950724884.db2.gz MDGXSRHADFYNRW-GXFFZTMASA-N 0 1 386.847 1.391 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575628871 950728243 /nfs/dbraw/zinc/72/82/43/950728243.db2.gz INOJPZIEDVALIZ-JSGCOSHPSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CNC(=O)c1cc2sccc2s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575006974 950729503 /nfs/dbraw/zinc/72/95/03/950729503.db2.gz ZKXZQUFYZPTKRI-MRVPVSSYSA-N 0 1 386.466 1.585 20 0 GDADMN C[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001574520578 950739010 /nfs/dbraw/zinc/73/90/10/950739010.db2.gz UXAWJORTUZWLST-PJFSTRORSA-N 0 1 382.472 1.568 20 0 GDADMN CC1(C)CC(C(=O)NC[C@H](CO)Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001575629720 950742609 /nfs/dbraw/zinc/74/26/09/950742609.db2.gz RFZIKDFGSHLLNA-MRVPVSSYSA-N 0 1 385.881 1.302 20 0 GDADMN CC(C)CCC(=O)NC[C@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574181696 950747477 /nfs/dbraw/zinc/74/74/77/950747477.db2.gz ODFALITTWFISTI-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN CC(C)CCC(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574181723 950749790 /nfs/dbraw/zinc/74/97/90/950749790.db2.gz OUFCLGYVCDLMDR-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN CC(C)(C)c1ccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001573882008 950765758 /nfs/dbraw/zinc/76/57/58/950765758.db2.gz NLHPQSJUXZJQJU-AWEZNQCLSA-N 0 1 392.467 1.703 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C)cn1 ZINC001575927987 950767068 /nfs/dbraw/zinc/76/70/68/950767068.db2.gz XARJDHXQQHQMKA-SWLSCSKDSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574765278 950782235 /nfs/dbraw/zinc/78/22/35/950782235.db2.gz HBTVULZIMVLOMC-JTQLQIEISA-N 0 1 386.485 1.390 20 0 GDADMN C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574765278 950782250 /nfs/dbraw/zinc/78/22/50/950782250.db2.gz HBTVULZIMVLOMC-JTQLQIEISA-N 0 1 386.485 1.390 20 0 GDADMN CC1(C)CC(CC(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001575633285 950808919 /nfs/dbraw/zinc/80/89/19/950808919.db2.gz RFOJUVPIBFNITC-GASCZTMLSA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)CC[NH+](C)C ZINC001575932256 950822239 /nfs/dbraw/zinc/82/22/39/950822239.db2.gz LCMPFJWYEINEJG-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1CCOCC1 ZINC001574524194 950851672 /nfs/dbraw/zinc/85/16/72/950851672.db2.gz UTNGPNCIBLNUTE-RYUDHWBXSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1CCOCC1 ZINC001574524194 950851693 /nfs/dbraw/zinc/85/16/93/950851693.db2.gz UTNGPNCIBLNUTE-RYUDHWBXSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCc1cnc[nH]1 ZINC001575934772 950869262 /nfs/dbraw/zinc/86/92/62/950869262.db2.gz TWTFEGUJLSSFCC-QMTHXVAHSA-N 0 1 385.407 1.158 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576222406 950871279 /nfs/dbraw/zinc/87/12/79/950871279.db2.gz YTMFOCJBQAVKPS-STQMWFEESA-N 0 1 384.488 1.411 20 0 GDADMN CCOC(=O)C1CCC(O)(C[C@H](O)C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001590207553 950876056 /nfs/dbraw/zinc/87/60/56/950876056.db2.gz ADDLLJRHYFZPFW-FVTKVJNCSA-N 0 1 383.485 1.264 20 0 GDADMN CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590345393 950900431 /nfs/dbraw/zinc/90/04/31/950900431.db2.gz AVKMOSLKUMZVSP-YPMHNXCESA-N 0 1 396.406 1.952 20 0 GDADMN CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590345393 950900444 /nfs/dbraw/zinc/90/04/44/950900444.db2.gz AVKMOSLKUMZVSP-YPMHNXCESA-N 0 1 396.406 1.952 20 0 GDADMN C[C@@H]1[C@@H](Nc2ncccc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c[nH]nc21 ZINC001575936440 950911593 /nfs/dbraw/zinc/91/15/93/950911593.db2.gz DVPNGPAZIMYZII-ABAIWWIYSA-N 0 1 389.423 1.853 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575641265 950912973 /nfs/dbraw/zinc/91/29/73/950912973.db2.gz CAQFCYJCFMIHIE-UGSOOPFHSA-N 0 1 390.513 1.417 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575641265 950912987 /nfs/dbraw/zinc/91/29/87/950912987.db2.gz CAQFCYJCFMIHIE-UGSOOPFHSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576228322 950938652 /nfs/dbraw/zinc/93/86/52/950938652.db2.gz HAFVNRDMWJSZSR-UONOGXRCSA-N 0 1 385.472 1.007 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N(CCO)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575643035 950956645 /nfs/dbraw/zinc/95/66/45/950956645.db2.gz XDJICJJYCGESBH-MRVPVSSYSA-N 0 1 385.881 1.256 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc(F)ccc1Cl ZINC001575017037 950971563 /nfs/dbraw/zinc/97/15/63/950971563.db2.gz GJRMOGVQJVVRKG-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1ccc(F)cc1Cl ZINC001575017452 950993802 /nfs/dbraw/zinc/99/38/02/950993802.db2.gz KKILIZRIFWFKJE-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001591088044 951050519 /nfs/dbraw/zinc/05/05/19/951050519.db2.gz NUVUYHQHOLGNRS-SGTLLEGYSA-N 0 1 396.465 1.513 20 0 GDADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001591088044 951050531 /nfs/dbraw/zinc/05/05/31/951050531.db2.gz NUVUYHQHOLGNRS-SGTLLEGYSA-N 0 1 396.465 1.513 20 0 GDADMN CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001591091835 951059421 /nfs/dbraw/zinc/05/94/21/951059421.db2.gz HBLCHDDUEGXJPL-GTNSWQLSSA-N 0 1 382.438 1.205 20 0 GDADMN CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001591091835 951059430 /nfs/dbraw/zinc/05/94/30/951059430.db2.gz HBLCHDDUEGXJPL-GTNSWQLSSA-N 0 1 382.438 1.205 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575021565 951063556 /nfs/dbraw/zinc/06/35/56/951063556.db2.gz DBZPOWSJGKBCME-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN C[C@H](CNC(=O)c1cccc(N2CCCC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575027941 951162389 /nfs/dbraw/zinc/16/23/89/951162389.db2.gz JGTJSTCVUDSOBE-CQSZACIVSA-N 0 1 392.467 1.514 20 0 GDADMN C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575031914 951210265 /nfs/dbraw/zinc/21/02/65/951210265.db2.gz LZLBOYBHMHQUPS-SNVBAGLBSA-N 0 1 388.382 1.849 20 0 GDADMN C[C@H](CNC(=O)c1ccns1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575033879 951231375 /nfs/dbraw/zinc/23/13/75/951231375.db2.gz DFKGUEFFUBIBRT-ZCFIWIBFSA-N 0 1 384.878 1.911 20 0 GDADMN O=C([O-])CC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001595018826 951305321 /nfs/dbraw/zinc/30/53/21/951305321.db2.gz FQVCGXNODGQKEF-HOCLYGCPSA-N 0 1 376.453 1.888 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C2CC2)o1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575043981 951408745 /nfs/dbraw/zinc/40/87/45/951408745.db2.gz NLBPMJHAEKEPSM-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575052099 951459245 /nfs/dbraw/zinc/45/92/45/951459245.db2.gz DBOVCDSWHSPMDK-NSHDSACASA-N 0 1 386.485 1.758 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575052099 951459249 /nfs/dbraw/zinc/45/92/49/951459249.db2.gz DBOVCDSWHSPMDK-NSHDSACASA-N 0 1 386.485 1.758 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575056363 951517921 /nfs/dbraw/zinc/51/79/21/951517921.db2.gz IDFLJRNNRZURNS-MRVPVSSYSA-N 0 1 378.343 1.087 20 0 GDADMN C[C@@H](CNC(=O)c1occ2c1CCC2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575065285 951581027 /nfs/dbraw/zinc/58/10/27/951581027.db2.gz FXBJKHJBOJYDEG-NSHDSACASA-N 0 1 384.415 1.996 20 0 GDADMN C[C@@H](CNC(=O)c1nccs1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067188 951603817 /nfs/dbraw/zinc/60/38/17/951603817.db2.gz JUUKSEPHJKKJPX-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575068535 951634928 /nfs/dbraw/zinc/63/49/28/951634928.db2.gz AEEKTXCYAGHOBX-ZETCQYMHSA-N 0 1 379.837 1.021 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575091198 951772533 /nfs/dbraw/zinc/77/25/33/951772533.db2.gz QDWQWOZFSRDCCP-KBPBESRZSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575098423 951823204 /nfs/dbraw/zinc/82/32/04/951823204.db2.gz CPKLEWGXVFPDSN-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575098423 951823212 /nfs/dbraw/zinc/82/32/12/951823212.db2.gz CPKLEWGXVFPDSN-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099268 951830837 /nfs/dbraw/zinc/83/08/37/951830837.db2.gz JMHVIBXQNSAUJC-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C2CC2)o1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099268 951830850 /nfs/dbraw/zinc/83/08/50/951830850.db2.gz JMHVIBXQNSAUJC-SNVBAGLBSA-N 0 1 387.469 1.949 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C1(F)CCOCC1 ZINC001575099361 951833523 /nfs/dbraw/zinc/83/35/23/951833523.db2.gz KOWGVBYLQMUOAR-NSHDSACASA-N 0 1 382.465 1.383 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C1(F)CCOCC1 ZINC001575099361 951833539 /nfs/dbraw/zinc/83/35/39/951833539.db2.gz KOWGVBYLQMUOAR-NSHDSACASA-N 0 1 382.465 1.383 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)on1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100803 951846797 /nfs/dbraw/zinc/84/67/97/951846797.db2.gz VKDKSQYBSHAIOY-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)c1cc(C2CC2)on1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100803 951846809 /nfs/dbraw/zinc/84/68/09/951846809.db2.gz VKDKSQYBSHAIOY-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNCc1csc(Cl)n1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575119285 951987373 /nfs/dbraw/zinc/98/73/73/951987373.db2.gz WMHNULSZNDHDGF-MRVPVSSYSA-N 0 1 380.865 1.460 20 0 GDADMN O=C([O-])Cn1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC001595141293 952080528 /nfs/dbraw/zinc/08/05/28/952080528.db2.gz CRYMRFGEUBHENI-ALOPSCKCSA-N 0 1 383.452 1.678 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575133180 952102501 /nfs/dbraw/zinc/10/25/01/952102501.db2.gz BWBLRENEOSNADI-LPSAFJIBSA-N 0 1 388.451 1.304 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575142825 952149993 /nfs/dbraw/zinc/14/99/93/952149993.db2.gz MLWTWWKCMWUVKE-INIZCTEOSA-N 0 1 388.819 1.336 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575143616 952154622 /nfs/dbraw/zinc/15/46/22/952154622.db2.gz BOCLYIKOXKXGRZ-IBGZPJMESA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1csc(Cl)c1 ZINC001575144811 952172742 /nfs/dbraw/zinc/17/27/42/952172742.db2.gz MBITYQZHDWTTNZ-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2ccn(C)c2c1 ZINC001575145039 952177565 /nfs/dbraw/zinc/17/75/65/952177565.db2.gz OOLGVOVQGGQGNA-GFCCVEGCSA-N 0 1 391.439 1.143 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575145506 952185619 /nfs/dbraw/zinc/18/56/19/952185619.db2.gz YVAPINWOWOELDT-QMMMGPOBSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575145637 952187333 /nfs/dbraw/zinc/18/73/33/952187333.db2.gz BTMMMEBDSDCRQT-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575145658 952188262 /nfs/dbraw/zinc/18/82/62/952188262.db2.gz CHFINQLYPDZTPU-ZIAGYGMSSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575145847 952188808 /nfs/dbraw/zinc/18/88/08/952188808.db2.gz DLDWMFOLNHFMLC-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCOc1ccccc1 ZINC001575145872 952190069 /nfs/dbraw/zinc/19/00/69/952190069.db2.gz FEPIWGHYCREMAE-AWEZNQCLSA-N 0 1 381.440 1.412 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575153373 952208006 /nfs/dbraw/zinc/20/80/06/952208006.db2.gz GSKXPPQZNXRLKM-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575153373 952208012 /nfs/dbraw/zinc/20/80/12/952208012.db2.gz GSKXPPQZNXRLKM-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cncnc1 ZINC001575165118 952304636 /nfs/dbraw/zinc/30/46/36/952304636.db2.gz LKBMDYXUAKBWTO-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)CCC[NH+](C)C ZINC001575165706 952313306 /nfs/dbraw/zinc/31/33/06/952313306.db2.gz QVZRCYJKAAKBOH-VIFPVBQESA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)CCC[NH+](C)C ZINC001575165702 952314799 /nfs/dbraw/zinc/31/47/99/952314799.db2.gz QVZRCYJKAAKBOH-SECBINFHSA-N 0 1 386.913 1.577 20 0 GDADMN C[C@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575166695 952326489 /nfs/dbraw/zinc/32/64/89/952326489.db2.gz XJNZYNGICKVSOE-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001575166695 952326511 /nfs/dbraw/zinc/32/65/11/952326511.db2.gz XJNZYNGICKVSOE-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001575166695 952326518 /nfs/dbraw/zinc/32/65/18/952326518.db2.gz XJNZYNGICKVSOE-RKDXNWHRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1cscn1 ZINC001571117092 952479588 /nfs/dbraw/zinc/47/95/88/952479588.db2.gz GUYRLDKCAMPQFI-NXEZZACHSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1cscn1 ZINC001571117092 952479592 /nfs/dbraw/zinc/47/95/92/952479592.db2.gz GUYRLDKCAMPQFI-NXEZZACHSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575197275 952481436 /nfs/dbraw/zinc/48/14/36/952481436.db2.gz RNBCVEOGPOMSJD-IYXRBSQSSA-N 0 1 381.440 1.462 20 0 GDADMN CC(C)[C@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571117991 952485745 /nfs/dbraw/zinc/48/57/45/952485745.db2.gz RRLNCGPLJOFYTM-MLGOLLRUSA-N 0 1 375.452 1.605 20 0 GDADMN Cc1cccc(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)c1 ZINC001571118009 952485859 /nfs/dbraw/zinc/48/58/59/952485859.db2.gz RVAYSXMBLIHJDM-IYBDPMFKSA-N 0 1 375.436 1.779 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575199294 952488055 /nfs/dbraw/zinc/48/80/55/952488055.db2.gz BRSZLDWOSIAVRO-JLLWLGSASA-N 0 1 385.407 1.062 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[nH]n2)cn1 ZINC001575199317 952488898 /nfs/dbraw/zinc/48/88/98/952488898.db2.gz CEKYCEBVEALUKD-MPESAESLSA-N 0 1 393.455 1.090 20 0 GDADMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncccc2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571119728 952494205 /nfs/dbraw/zinc/49/42/05/952494205.db2.gz FDVBVCYUECYIPZ-HALDLXJZSA-N 0 1 376.424 1.138 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](Nc1ccc(-c2nn[nH]n2)cn1)C1CC1 ZINC001575201827 952508831 /nfs/dbraw/zinc/50/88/31/952508831.db2.gz QYQFJJGVEAPAFP-XHDPSFHLSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CNc1ncccc1-c1nn[nH]n1)C1CC1 ZINC001575202510 952513789 /nfs/dbraw/zinc/51/37/89/952513789.db2.gz ORMRNYSHKZQCOI-IAQYHMDHSA-N 0 1 381.444 1.170 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575203247 952519277 /nfs/dbraw/zinc/51/92/77/952519277.db2.gz SAXFQZYOPTYCIX-OLZOCXBDSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2ncccc2-c2nn[nH]n2)C1 ZINC001575203370 952521439 /nfs/dbraw/zinc/52/14/39/952521439.db2.gz VDGIVDAURJYHJT-LALPHHSUSA-N 0 1 381.444 1.122 20 0 GDADMN CC[C@@H](SC)C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571121730 952522474 /nfs/dbraw/zinc/52/24/74/952522474.db2.gz CIOPGRPIBDPMMA-NWDGAFQWSA-N 0 1 376.490 1.013 20 0 GDADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1)c1cncnc1 ZINC001571122331 952524928 /nfs/dbraw/zinc/52/49/28/952524928.db2.gz ISIPKCBIQNGMGQ-IKGGRYGDSA-N 0 1 376.424 1.192 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571122779 952526245 /nfs/dbraw/zinc/52/62/45/952526245.db2.gz KWRCZNXTNOXCRT-BNOWGMLFSA-N 0 1 376.486 1.434 20 0 GDADMN CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571122779 952526248 /nfs/dbraw/zinc/52/62/48/952526248.db2.gz KWRCZNXTNOXCRT-BNOWGMLFSA-N 0 1 376.486 1.434 20 0 GDADMN Cc1ccccc1CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571127266 952552966 /nfs/dbraw/zinc/55/29/66/952552966.db2.gz CLHLVXZLOBIAEK-GOEBONIOSA-N 0 1 377.452 1.636 20 0 GDADMN Cc1cccnc1C(=O)N(C)[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128043 952562400 /nfs/dbraw/zinc/56/24/00/952562400.db2.gz NZHJJEKCKNAOCK-QGZVFWFLSA-N 0 1 377.452 1.917 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575215003 952567838 /nfs/dbraw/zinc/56/78/38/952567838.db2.gz RMTFKXHGKGUPGV-JTQLQIEISA-N 0 1 380.403 1.067 20 0 GDADMN Cc1cccc(C)c1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571133960 952583469 /nfs/dbraw/zinc/58/34/69/952583469.db2.gz AEBZICIWKOECDU-AWEZNQCLSA-N 0 1 378.440 1.412 20 0 GDADMN Cc1cncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001571133994 952583714 /nfs/dbraw/zinc/58/37/14/952583714.db2.gz ATCVQCLUZKLHEY-CZUORRHYSA-N 0 1 378.440 1.398 20 0 GDADMN C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001571134132 952585880 /nfs/dbraw/zinc/58/58/80/952585880.db2.gz ANHWNGLJTMIZJR-OAHLLOKOSA-N 0 1 378.440 1.251 20 0 GDADMN CCN(C(=O)c1ccnnc1)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571134571 952591747 /nfs/dbraw/zinc/59/17/47/952591747.db2.gz HFQDMMIUNIXYGE-KRWDZBQOSA-N 0 1 378.440 1.393 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135313 952602952 /nfs/dbraw/zinc/60/29/52/952602952.db2.gz VOFMNMODWGAOER-ZDUSSCGKSA-N 0 1 378.440 1.135 20 0 GDADMN Cc1cc(N[C@@H]2CC[C@H](CNC(=O)c3ccncc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135447 952603331 /nfs/dbraw/zinc/60/33/31/952603331.db2.gz XTCKSTRTTYBRBN-DZGCQCFKSA-N 0 1 378.440 1.398 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@H](C)C2)c1 ZINC001571135407 952603923 /nfs/dbraw/zinc/60/39/23/952603923.db2.gz WWIWMTIOUVJILE-CZUORRHYSA-N 0 1 378.440 1.350 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001571135565 952605881 /nfs/dbraw/zinc/60/58/81/952605881.db2.gz XAGGLSRHWKCBLP-HIFRSBDPSA-N 0 1 378.440 1.431 20 0 GDADMN O=C(NCc1ccc(N2CCNC2=O)cc1)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001571139081 952619623 /nfs/dbraw/zinc/61/96/23/952619623.db2.gz BPWRYSOUXGRUAS-UHFFFAOYSA-N 0 1 379.380 1.032 20 0 GDADMN CC(C)(F)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@@]2(C)C1 ZINC001571142515 952643271 /nfs/dbraw/zinc/64/32/71/952643271.db2.gz SVOXUFHFOIATML-DIFFPNOSSA-N 0 1 378.477 1.957 20 0 GDADMN CC(C)(F)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@]2(C)C1 ZINC001571142515 952643272 /nfs/dbraw/zinc/64/32/72/952643272.db2.gz SVOXUFHFOIATML-DIFFPNOSSA-N 0 1 378.477 1.957 20 0 GDADMN CC(C)(F)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@]2(C)C1 ZINC001571142515 952643274 /nfs/dbraw/zinc/64/32/74/952643274.db2.gz SVOXUFHFOIATML-DIFFPNOSSA-N 0 1 378.477 1.957 20 0 GDADMN CC(C)(F)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@]2(C)C1 ZINC001571142515 952643277 /nfs/dbraw/zinc/64/32/77/952643277.db2.gz SVOXUFHFOIATML-DIFFPNOSSA-N 0 1 378.477 1.957 20 0 GDADMN CC(C)(F)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@]2(C)C1 ZINC001571142515 952643278 /nfs/dbraw/zinc/64/32/78/952643278.db2.gz SVOXUFHFOIATML-DIFFPNOSSA-N 0 1 378.477 1.957 20 0 GDADMN O=C(NCc1ccc(CNc2ccncc2-c2nn[nH]n2)cc1)[C@@H]1CCCO1 ZINC001571142586 952644310 /nfs/dbraw/zinc/64/43/10/952644310.db2.gz XNPKCDRJCLMHOJ-KRWDZBQOSA-N 0 1 379.424 1.091 20 0 GDADMN Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571142751 952646224 /nfs/dbraw/zinc/64/62/24/952646224.db2.gz XLUIXXIERYHQPD-OCAPTIKFSA-N 0 1 378.849 1.986 20 0 GDADMN Cc1c[nH]cc1C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571147177 952657617 /nfs/dbraw/zinc/65/76/17/952657617.db2.gz IFPMTMVDXMHXIB-SGTLLEGYSA-N 0 1 379.428 1.082 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)c2cnccn2)CCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571147506 952662816 /nfs/dbraw/zinc/66/28/16/952662816.db2.gz MLDYFFWQAPPGDN-DZGCQCFKSA-N 0 1 379.428 1.147 20 0 GDADMN C[C@H](NC(=O)c1ccccn1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571148256 952666442 /nfs/dbraw/zinc/66/64/42/952666442.db2.gz XCXAKKVXAQCVGA-LBPRGKRZSA-N 0 1 379.428 1.087 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)co1 ZINC001571154198 952689113 /nfs/dbraw/zinc/68/91/13/952689113.db2.gz ZLFWJSSIRNIFJU-SECBINFHSA-N 0 1 379.833 1.887 20 0 GDADMN Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2ccncc2-c2nn[nH]n2)cnn1 ZINC001571156028 952701332 /nfs/dbraw/zinc/70/13/32/952701332.db2.gz BASWSGBXJKNMJK-AWEZNQCLSA-N 0 1 379.428 1.101 20 0 GDADMN Cc1cc(N(C)C[C@H]2CCCN2C(=O)c2cncnc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156734 952704738 /nfs/dbraw/zinc/70/47/38/952704738.db2.gz IEYKYRURZACWJT-CQSZACIVSA-N 0 1 379.428 1.101 20 0 GDADMN COc1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001571157907 952707881 /nfs/dbraw/zinc/70/78/81/952707881.db2.gz CIPQTRRKYIAESK-UHFFFAOYSA-N 0 1 380.412 1.064 20 0 GDADMN Cc1ccnc(C(=O)N(C)C2CCN(c3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001571158887 952714463 /nfs/dbraw/zinc/71/44/63/952714463.db2.gz TUWJHJJRJZNIRI-UHFFFAOYSA-N 0 1 379.428 1.101 20 0 GDADMN O=C(c1ccco1)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571160644 952727259 /nfs/dbraw/zinc/72/72/59/952727259.db2.gz KWULJAFROGBQFW-SGTLLEGYSA-N 0 1 380.412 1.026 20 0 GDADMN O=C(c1ccoc1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571161220 952730910 /nfs/dbraw/zinc/73/09/10/952730910.db2.gz RJZDRARSPFQBBV-TZMCWYRMSA-N 0 1 380.412 1.381 20 0 GDADMN Cc1cocc1C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571161279 952731543 /nfs/dbraw/zinc/73/15/43/952731543.db2.gz UEAMOKIBFNCSBR-QWHCGFSZSA-N 0 1 380.412 1.133 20 0 GDADMN Cc1c(C(=O)NC[C@@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ccn1C ZINC001571170040 952783176 /nfs/dbraw/zinc/78/31/76/952783176.db2.gz RBJAEUWLYSAMFG-HDJSIYSDSA-N 0 1 380.456 1.259 20 0 GDADMN Cc1cncc(CN(C)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571170932 952790547 /nfs/dbraw/zinc/79/05/47/952790547.db2.gz ZWOXKIXSVDNIGV-OAHLLOKOSA-N 0 1 380.456 1.635 20 0 GDADMN Cc1ccc(F)cc1C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571178175 952835879 /nfs/dbraw/zinc/83/58/79/952835879.db2.gz ALDKGYJEUFXBBV-ZDUSSCGKSA-N 0 1 381.415 1.966 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)c2ccccc2F)C1)c1ccncc1-c1nn[nH]n1 ZINC001571178948 952851161 /nfs/dbraw/zinc/85/11/61/952851161.db2.gz YSWDQWXGDILJNY-ZDUSSCGKSA-N 0 1 381.415 1.999 20 0 GDADMN Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)Cc2ccoc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180272 952858705 /nfs/dbraw/zinc/85/87/05/952858705.db2.gz OFECGVOMVLZKNH-GOEBONIOSA-N 0 1 381.440 1.525 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2ccc(CO)cc2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571181764 952866679 /nfs/dbraw/zinc/86/66/79/952866679.db2.gz YDFBXXTXDQWMAX-MRXNPFEDSA-N 0 1 381.440 1.082 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571183170 952874365 /nfs/dbraw/zinc/87/43/65/952874365.db2.gz QZGHCYHTCZONIK-HNNXBMFYSA-N 0 1 381.440 1.982 20 0 GDADMN COC[C@@H](C)N1Cc2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cc2C1 ZINC001571183290 952876194 /nfs/dbraw/zinc/87/61/94/952876194.db2.gz VZQFLICAEORPEB-GFCCVEGCSA-N 0 1 381.440 1.475 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)c1cncc(F)c1 ZINC001571183303 952876860 /nfs/dbraw/zinc/87/68/60/952876860.db2.gz WGGWTUKINGMCHA-INIZCTEOSA-N 0 1 381.415 1.795 20 0 GDADMN C[C@@H]1CN(C(=O)CCc2cnc[nH]2)CC[C@H]1Nc1ccc(-c2nn[nH]n2)nc1 ZINC001571184217 952889298 /nfs/dbraw/zinc/88/92/98/952889298.db2.gz UCVORXJRAWLYJC-IUODEOHRSA-N 0 1 381.444 1.267 20 0 GDADMN Cc1c(C(=O)N[C@H]2CC[C@@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571184637 952895934 /nfs/dbraw/zinc/89/59/34/952895934.db2.gz BZODGWOCPUSYLM-YPMHNXCESA-N 0 1 381.444 1.091 20 0 GDADMN Cc1cc(N2CCCC[C@@H]2CNC(=O)c2cn(C)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187674 952909123 /nfs/dbraw/zinc/90/91/23/952909123.db2.gz ANBIGVDYYIFNGM-CYBMUJFWSA-N 0 1 381.444 1.093 20 0 GDADMN Cc1ncc(C(=O)N2C[C@H](C)[C@@H](CNc3nc(C)ccc3-c3nn[nH]n3)C2)[nH]1 ZINC001571189021 952923007 /nfs/dbraw/zinc/92/30/07/952923007.db2.gz PUAJDHMCKZIJJV-GWCFXTLKSA-N 0 1 381.444 1.422 20 0 GDADMN C[C@H](C(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001571194514 952964135 /nfs/dbraw/zinc/96/41/35/952964135.db2.gz OHUOMFKTAUBRFR-GMSGAONNSA-N 0 1 382.306 1.254 20 0 GDADMN Cc1c(F)cccc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571197110 952985757 /nfs/dbraw/zinc/98/57/57/952985757.db2.gz SFIQLRUGUQYZMB-LBPRGKRZSA-N 0 1 382.403 1.243 20 0 GDADMN C[C@@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2cncc(F)c2)C1 ZINC001571196969 952986457 /nfs/dbraw/zinc/98/64/57/952986457.db2.gz QXNOWAIFOJKHCJ-SFHVURJKSA-N 0 1 382.403 1.182 20 0 GDADMN CCc1occc1C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571198748 952992599 /nfs/dbraw/zinc/99/25/99/952992599.db2.gz FNNNUQQDUNDJLN-LBPRGKRZSA-N 0 1 382.428 1.411 20 0 GDADMN CCc1nc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)co1 ZINC001571199459 952999358 /nfs/dbraw/zinc/99/93/58/952999358.db2.gz RTPDYHHGIZXGSG-LBPRGKRZSA-N 0 1 382.428 1.471 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccon1 ZINC001571199777 953004154 /nfs/dbraw/zinc/00/41/54/953004154.db2.gz BRKFMVMZYVHCNN-JSGCOSHPSA-N 0 1 382.428 1.096 20 0 GDADMN Cc1conc1C(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571200185 953007874 /nfs/dbraw/zinc/00/78/74/953007874.db2.gz BOTUFLYWYBZRAW-GOSISDBHSA-N 0 1 382.428 1.253 20 0 GDADMN Cc1cc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571201093 953015311 /nfs/dbraw/zinc/01/53/11/953015311.db2.gz JQVITKFTBSKNIG-JKSUJKDBSA-N 0 1 382.428 1.370 20 0 GDADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571202472 953025101 /nfs/dbraw/zinc/02/51/01/953025101.db2.gz YHIWSAHRKFKBCS-IJLUTSLNSA-N 0 1 382.403 1.545 20 0 GDADMN Cc1nc(C(=O)N2CCC[C@@H](N(C)c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)co1 ZINC001571202785 953029246 /nfs/dbraw/zinc/02/92/46/953029246.db2.gz YSKLHHOCCQTDDI-CYBMUJFWSA-N 0 1 382.428 1.608 20 0 GDADMN Cc1conc1C(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001571202847 953029347 /nfs/dbraw/zinc/02/93/47/953029347.db2.gz ZNKXBDQNALTQTB-DOMZBBRYSA-N 0 1 382.428 1.475 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ncsc1C1CC1 ZINC001571209898 953069029 /nfs/dbraw/zinc/06/90/29/953069029.db2.gz HZFORWFRGOWABK-XYPYZODXSA-N 0 1 382.453 1.390 20 0 GDADMN O=C(N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1ccns1 ZINC001571210637 953072970 /nfs/dbraw/zinc/07/29/70/953072970.db2.gz VCXDYUQRBBQSKK-UONOGXRCSA-N 0 1 382.453 1.293 20 0 GDADMN O=C(c1cc[nH]c(=O)c1)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571217836 953111071 /nfs/dbraw/zinc/11/10/71/953111071.db2.gz PUWWZDJOLSKKDU-AWEZNQCLSA-N 0 1 383.387 1.111 20 0 GDADMN O=C(CCC1CC1)N1CCC2(C1)CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571219304 953125422 /nfs/dbraw/zinc/12/54/22/953125422.db2.gz WVUPGDGUKKNRMW-UHFFFAOYSA-N 0 1 382.472 1.666 20 0 GDADMN CC(C)c1oncc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222531 953136103 /nfs/dbraw/zinc/13/61/03/953136103.db2.gz IJJAPCUWCWRACI-LLVKDONJSA-N 0 1 383.416 1.024 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)C3=COCCC3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233373 953192206 /nfs/dbraw/zinc/19/22/06/953192206.db2.gz SZTYGCJBZYLTIH-UKRRQHHQSA-N 0 1 383.456 1.478 20 0 GDADMN CC(C)n1ccc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)n1 ZINC001571233665 953194276 /nfs/dbraw/zinc/19/42/76/953194276.db2.gz ZTZFXUDBDNDEHR-SWLSCSKDSA-N 0 1 383.460 1.365 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cccnc1 ZINC001571233993 953197322 /nfs/dbraw/zinc/19/73/22/953197322.db2.gz JWOXFTVQKWPKTL-OCCSQVGLSA-N 0 1 383.481 1.817 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cccnc1 ZINC001571233993 953197325 /nfs/dbraw/zinc/19/73/25/953197325.db2.gz JWOXFTVQKWPKTL-OCCSQVGLSA-N 0 1 383.481 1.817 20 0 GDADMN Cc1ncccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571234281 953200249 /nfs/dbraw/zinc/20/02/49/953200249.db2.gz SDQNLNUQJYWWIN-BETUJISGSA-N 0 1 383.481 1.930 20 0 GDADMN Cc1ncccc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571234281 953200251 /nfs/dbraw/zinc/20/02/51/953200251.db2.gz SDQNLNUQJYWWIN-BETUJISGSA-N 0 1 383.481 1.930 20 0 GDADMN CCc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571234473 953202277 /nfs/dbraw/zinc/20/22/77/953202277.db2.gz ZADPBNHBTTXDPY-CQSZACIVSA-N 0 1 383.481 1.890 20 0 GDADMN CCc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571234473 953202278 /nfs/dbraw/zinc/20/22/78/953202278.db2.gz ZADPBNHBTTXDPY-CQSZACIVSA-N 0 1 383.481 1.890 20 0 GDADMN Cc1ncc(C(=O)N[C@H]2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)[C@@H]2C)[nH]1 ZINC001571242040 953252513 /nfs/dbraw/zinc/25/25/13/953252513.db2.gz UAPSWMIVWIWGNV-BMIGLBTASA-N 0 1 384.419 1.430 20 0 GDADMN CCc1cnc(CN[C@@H]2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571242645 953258783 /nfs/dbraw/zinc/25/87/83/953258783.db2.gz KXOJHHRALJLKEM-OLZOCXBDSA-N 0 1 384.444 1.576 20 0 GDADMN CCc1cnc(CNC[C@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC001571243083 953262786 /nfs/dbraw/zinc/26/27/86/953262786.db2.gz VIMFKPFPARWBLC-YPMHNXCESA-N 0 1 384.444 1.434 20 0 GDADMN Cc1cc(N(C)[C@@H]2CCCN(C(=O)c3ccsn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244738 953266547 /nfs/dbraw/zinc/26/65/47/953266547.db2.gz HALPBFPBLLQIML-GFCCVEGCSA-N 0 1 384.469 1.768 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cnn1 ZINC001571245419 953272985 /nfs/dbraw/zinc/27/29/85/953272985.db2.gz SLLRHGQBGKBAHN-LBPRGKRZSA-N 0 1 384.469 1.279 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cnn1 ZINC001571245419 953272987 /nfs/dbraw/zinc/27/29/87/953272987.db2.gz SLLRHGQBGKBAHN-LBPRGKRZSA-N 0 1 384.469 1.279 20 0 GDADMN Cc1cc(NC[C@H]2CCCN2C(=O)Cc2cscn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571245529 953274573 /nfs/dbraw/zinc/27/45/73/953274573.db2.gz UMNRXGYDYKHXEL-CYBMUJFWSA-N 0 1 384.469 1.094 20 0 GDADMN CN(C[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCCOCC1 ZINC001571247741 953285758 /nfs/dbraw/zinc/28/57/58/953285758.db2.gz DBBVKLXMDZYJKB-NVXWUHKLSA-N 0 1 384.484 1.716 20 0 GDADMN Cc1ncc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)s1 ZINC001571247848 953287211 /nfs/dbraw/zinc/28/72/11/953287211.db2.gz GDUBNVULAGZALF-CMPLNLGQSA-N 0 1 384.469 1.554 20 0 GDADMN Cc1nnsc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571248766 953297430 /nfs/dbraw/zinc/29/74/30/953297430.db2.gz ZLBYVRMDZZXGGU-KRWDZBQOSA-N 0 1 384.469 1.421 20 0 GDADMN CC1(C)C(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001571248984 953299895 /nfs/dbraw/zinc/29/98/95/953299895.db2.gz ABHOILNNBPYKBB-NWDGAFQWSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249092 953300250 /nfs/dbraw/zinc/30/02/50/953300250.db2.gz DAKMHGOLDMRIBK-MGPQQGTHSA-N 0 1 384.488 1.411 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249661 953305120 /nfs/dbraw/zinc/30/51/20/953305120.db2.gz KFYSNPOPKDIRMY-HZSPNIEDSA-N 0 1 384.488 1.672 20 0 GDADMN CC1(C)CC(CC(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571249678 953307002 /nfs/dbraw/zinc/30/70/02/953307002.db2.gz KJBXZVDQTKAWMC-JSGCOSHPSA-N 0 1 384.488 1.602 20 0 GDADMN CC[C@@H]1CN(C(=O)C2CC(C)(C)C2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571250199 953309358 /nfs/dbraw/zinc/30/93/58/953309358.db2.gz OFXZIUZSPTXMNP-TZMCWYRMSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)CCC2CCC2)CC1 ZINC001571250839 953313707 /nfs/dbraw/zinc/31/37/07/953313707.db2.gz TZYGOSBVGFRLLA-ZDUSSCGKSA-N 0 1 384.488 1.698 20 0 GDADMN Cc1cnc(CNC[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C)o1 ZINC001571251187 953315221 /nfs/dbraw/zinc/31/52/21/953315221.db2.gz RTSLAUAESXXVTE-AAEUAGOBSA-N 0 1 384.444 1.379 20 0 GDADMN Cc1nc(N2C[C@@H](NC(=O)CN3CCCC3)CC[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571252320 953325816 /nfs/dbraw/zinc/32/58/16/953325816.db2.gz LANZULVUERLFGP-HIFRSBDPSA-N 0 1 384.488 1.139 20 0 GDADMN C[C@@H]1C[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CN1C(=O)CCc1c[nH]nn1 ZINC001571254822 953342994 /nfs/dbraw/zinc/34/29/94/953342994.db2.gz KAIZGUKYDZEUJF-ZYHUDNBSSA-N 0 1 385.407 1.158 20 0 GDADMN O=C(c1cccc(Cl)c1)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571255950 953359891 /nfs/dbraw/zinc/35/98/91/953359891.db2.gz SEVDZJDCSFCQPJ-ZDUSSCGKSA-N 0 1 384.831 1.449 20 0 GDADMN O=C(c1cc(F)ccc1F)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571256289 953367968 /nfs/dbraw/zinc/36/79/68/953367968.db2.gz UHPALCBTIGJUDI-LBPRGKRZSA-N 0 1 385.378 1.679 20 0 GDADMN O=C([O-])[C@@H]1CC(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)=NN1c1ccccc1 ZINC001594757094 953470388 /nfs/dbraw/zinc/47/03/88/953470388.db2.gz CMHOZHOUSXYHAZ-WMZOPIPTSA-N 0 1 388.468 1.059 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279891 953483904 /nfs/dbraw/zinc/48/39/04/953483904.db2.gz QCXUKFOJXDFCRB-PMPSAXMXSA-N 0 1 375.469 1.893 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563127078 953595138 /nfs/dbraw/zinc/59/51/38/953595138.db2.gz VVVIPRCPHSOZTP-OAGGEKHMSA-N 0 1 375.469 1.472 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000564965987 953608076 /nfs/dbraw/zinc/60/80/76/953608076.db2.gz VKVDSALHWUTDDR-WCVJEAGWSA-N 0 1 376.453 1.716 20 0 GDADMN Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000566796546 953628400 /nfs/dbraw/zinc/62/84/00/953628400.db2.gz IGFAVCDPIZRWLB-ZIAGYGMSSA-N 0 1 397.497 1.369 20 0 GDADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000626757584 953811607 /nfs/dbraw/zinc/81/16/07/953811607.db2.gz ZYVZLRCIOCGNMV-BBWFWOEESA-N 0 1 389.500 1.344 20 0 GDADMN C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C(=O)[O-] ZINC000646143880 953923566 /nfs/dbraw/zinc/92/35/66/953923566.db2.gz BPDCXCFOWVIRFD-YJBOKZPZSA-N 0 1 375.469 1.771 20 0 GDADMN C[C@H](CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)CN1CC[NH+](C)CC1 ZINC000652091225 954049914 /nfs/dbraw/zinc/04/99/14/954049914.db2.gz AWRVILGPVYPJCP-OXQOHEQNSA-N 0 1 376.501 1.212 20 0 GDADMN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001593726463 954275999 /nfs/dbraw/zinc/27/59/99/954275999.db2.gz IOETXXXHORZJFZ-YJBCQJRQSA-N 0 1 379.501 1.772 20 0 GDADMN O=C([O-])C1=NO[C@@H](C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC001594890020 954510132 /nfs/dbraw/zinc/51/01/32/954510132.db2.gz 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0 GDADMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)c3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000821504827 607108719 /nfs/dbraw/zinc/10/87/19/607108719.db2.gz LKACFXZGSCFISP-FZMZJTMJSA-N 0 1 397.443 1.391 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1SCC(F)(F)F ZINC000823136021 607206594 /nfs/dbraw/zinc/20/65/94/607206594.db2.gz GLOYFWGKVWXNKB-UHFFFAOYSA-N 0 1 384.347 1.751 20 0 GDADMN CCOC(=O)c1cc2cc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccc2s1 ZINC000821342799 607207526 /nfs/dbraw/zinc/20/75/26/607207526.db2.gz HWBMGFOPBKYXHJ-UHFFFAOYSA-N 0 1 398.408 1.488 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(OCc2ccccc2)nc1 ZINC000823135935 607209144 /nfs/dbraw/zinc/20/91/44/607209144.db2.gz AZTWFPLYDQMYSH-UHFFFAOYSA-N 0 1 377.368 1.071 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(OCCc2ccccc2)c1 ZINC000823136181 607209201 /nfs/dbraw/zinc/20/92/01/607209201.db2.gz NNPYNYYXSMZXQY-UHFFFAOYSA-N 0 1 390.407 1.718 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000820333406 607210245 /nfs/dbraw/zinc/21/02/45/607210245.db2.gz AUGAKTOGTRHOQL-SECBINFHSA-N 0 1 396.333 1.277 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000823127124 607217292 /nfs/dbraw/zinc/21/72/92/607217292.db2.gz UEJFXCXDJZDQTD-SNVBAGLBSA-N 0 1 379.211 1.569 20 0 GDADMN CC(C)c1csc([C@H]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)n1 ZINC000820197474 607219239 /nfs/dbraw/zinc/21/92/39/607219239.db2.gz JTLNTORQIVPPOC-NSHDSACASA-N 0 1 387.473 1.444 20 0 GDADMN CC(C)c1csc([C@@H]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)n1 ZINC000820197472 607219355 /nfs/dbraw/zinc/21/93/55/607219355.db2.gz JTLNTORQIVPPOC-LLVKDONJSA-N 0 1 387.473 1.444 20 0 GDADMN Cc1cc(C)c(CNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c(=O)[nH]1 ZINC000826263061 607814817 /nfs/dbraw/zinc/81/48/17/607814817.db2.gz JSBGINAFLMMTNH-UHFFFAOYSA-N 0 1 388.453 1.148 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cncc(-c2nncn2C)c1 ZINC000826256061 607816342 /nfs/dbraw/zinc/81/63/42/607816342.db2.gz SYQXOCQZYOCBMK-UHFFFAOYSA-N 0 1 397.424 1.166 20 0 GDADMN O=C(COc1ccccc1-c1nnc[nH]1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826418366 607848928 /nfs/dbraw/zinc/84/89/28/607848928.db2.gz CLAWLMINWKYJHS-UHFFFAOYSA-N 0 1 376.380 1.347 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000824040211 607881211 /nfs/dbraw/zinc/88/12/11/607881211.db2.gz NDDASYFUJHJPGZ-INIZCTEOSA-N 0 1 398.511 1.964 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(F)c(F)cc2F)c1-c1nnn[n-]1 ZINC000826077771 608019714 /nfs/dbraw/zinc/01/97/14/608019714.db2.gz VDZHTSBYDFWVRS-UHFFFAOYSA-N 0 1 394.361 1.340 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(F)c(F)cc2F)c1-c1nn[n-]n1 ZINC000826077771 608019715 /nfs/dbraw/zinc/01/97/15/608019715.db2.gz VDZHTSBYDFWVRS-UHFFFAOYSA-N 0 1 394.361 1.340 20 0 GDADMN CCO[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825576526 608020329 /nfs/dbraw/zinc/02/03/29/608020329.db2.gz JBMCKHQUCWPWGU-HNNXBMFYSA-N 0 1 384.444 1.458 20 0 GDADMN CCO[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825576526 608020330 /nfs/dbraw/zinc/02/03/30/608020330.db2.gz JBMCKHQUCWPWGU-HNNXBMFYSA-N 0 1 384.444 1.458 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ncoc2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826083577 608021094 /nfs/dbraw/zinc/02/10/94/608021094.db2.gz NJVFJZFUIGQBFX-UHFFFAOYSA-N 0 1 393.411 1.649 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ncoc2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826083577 608021095 /nfs/dbraw/zinc/02/10/95/608021095.db2.gz NJVFJZFUIGQBFX-UHFFFAOYSA-N 0 1 393.411 1.649 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCSc3ccccc32)c1-c1nnn[n-]1 ZINC000826077384 608021348 /nfs/dbraw/zinc/02/13/48/608021348.db2.gz GOMFNHPTXMPRCT-GFCCVEGCSA-N 0 1 398.496 1.960 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCSc3ccccc32)c1-c1nn[n-]n1 ZINC000826077384 608021349 /nfs/dbraw/zinc/02/13/49/608021349.db2.gz GOMFNHPTXMPRCT-GFCCVEGCSA-N 0 1 398.496 1.960 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000826077864 608021443 /nfs/dbraw/zinc/02/14/43/608021443.db2.gz YCEVIDONEPJGIX-UHFFFAOYSA-N 0 1 390.398 1.591 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826077864 608021444 /nfs/dbraw/zinc/02/14/44/608021444.db2.gz YCEVIDONEPJGIX-UHFFFAOYSA-N 0 1 390.398 1.591 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2nccc3ccccc32)c1-c1nnn[n-]1 ZINC000826084397 608022506 /nfs/dbraw/zinc/02/25/06/608022506.db2.gz ZVEQFRPXJJHXBY-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2nccc3ccccc32)c1-c1nn[n-]n1 ZINC000826084397 608022507 /nfs/dbraw/zinc/02/25/07/608022507.db2.gz ZVEQFRPXJJHXBY-UHFFFAOYSA-N 0 1 377.412 1.542 20 0 GDADMN CC(C)n1ncc2cc(C[N@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cnc21 ZINC000824377470 608035229 /nfs/dbraw/zinc/03/52/29/608035229.db2.gz FTGBZACVCBOGFC-UHFFFAOYSA-N 0 1 395.475 1.562 20 0 GDADMN CC(C)n1ncc2cc(C[N@@H+](C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cnc21 ZINC000824377470 608035230 /nfs/dbraw/zinc/03/52/30/608035230.db2.gz FTGBZACVCBOGFC-UHFFFAOYSA-N 0 1 395.475 1.562 20 0 GDADMN CC(C)n1ncc2cc(C[N@H+](C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cnc21 ZINC000824377470 608035231 /nfs/dbraw/zinc/03/52/31/608035231.db2.gz FTGBZACVCBOGFC-UHFFFAOYSA-N 0 1 395.475 1.562 20 0 GDADMN CC(C)n1ncc2cc(C[N@@H+](C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cnc21 ZINC000824377470 608035232 /nfs/dbraw/zinc/03/52/32/608035232.db2.gz FTGBZACVCBOGFC-UHFFFAOYSA-N 0 1 395.475 1.562 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000825935132 608035520 /nfs/dbraw/zinc/03/55/20/608035520.db2.gz VKKIKNWAQBFPCH-UHFFFAOYSA-N 0 1 390.835 1.619 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000825935132 608035521 /nfs/dbraw/zinc/03/55/21/608035521.db2.gz VKKIKNWAQBFPCH-UHFFFAOYSA-N 0 1 390.835 1.619 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000825935132 608035522 /nfs/dbraw/zinc/03/55/22/608035522.db2.gz VKKIKNWAQBFPCH-UHFFFAOYSA-N 0 1 390.835 1.619 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000825935132 608035523 /nfs/dbraw/zinc/03/55/23/608035523.db2.gz VKKIKNWAQBFPCH-UHFFFAOYSA-N 0 1 390.835 1.619 20 0 GDADMN CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000824359618 608107267 /nfs/dbraw/zinc/10/72/67/608107267.db2.gz YLKFTWSISNKULT-MRVPVSSYSA-N 0 1 387.379 1.063 20 0 GDADMN CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824267072 608110804 /nfs/dbraw/zinc/11/08/04/608110804.db2.gz WXCRODAZGGTRNH-QMMMGPOBSA-N 0 1 389.384 1.011 20 0 GDADMN CC(=O)NC1CCC(N(C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000823988812 608130346 /nfs/dbraw/zinc/13/03/46/608130346.db2.gz JTXUHSUPEXIQFK-UHFFFAOYSA-N 0 1 396.455 1.796 20 0 GDADMN O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429973 608135058 /nfs/dbraw/zinc/13/50/58/608135058.db2.gz QUEYCMIFEVXXDD-RCCFBDPRSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826429973 608135059 /nfs/dbraw/zinc/13/50/59/608135059.db2.gz QUEYCMIFEVXXDD-RCCFBDPRSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429973 608135060 /nfs/dbraw/zinc/13/50/60/608135060.db2.gz QUEYCMIFEVXXDD-RCCFBDPRSA-N 0 1 389.463 1.902 20 0 GDADMN O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826429973 608135061 /nfs/dbraw/zinc/13/50/61/608135061.db2.gz QUEYCMIFEVXXDD-RCCFBDPRSA-N 0 1 389.463 1.902 20 0 GDADMN CCN(CCc1ccccn1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825428940 608163052 /nfs/dbraw/zinc/16/30/52/608163052.db2.gz VXLLYXIKKWCSNI-SFHVURJKSA-N 0 1 377.452 1.932 20 0 GDADMN Cc1ocnc1CNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826342290 608163672 /nfs/dbraw/zinc/16/36/72/608163672.db2.gz DSRQIKPQPBZKPC-UHFFFAOYSA-N 0 1 396.455 1.581 20 0 GDADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826432132 608195696 /nfs/dbraw/zinc/19/56/96/608195696.db2.gz SRHDABFERPJJNT-CXAGYDPISA-N 0 1 378.440 1.232 20 0 GDADMN C[C@H]1[C@H](C)N(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)CCN1C ZINC000824860886 608203029 /nfs/dbraw/zinc/20/30/29/608203029.db2.gz YTBDOKDTEFFNJY-KBPBESRZSA-N 0 1 385.472 1.527 20 0 GDADMN CSCC[C@@H](O)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826228752 608216665 /nfs/dbraw/zinc/21/66/65/608216665.db2.gz YWXHRXIMMQTDQS-MRXNPFEDSA-N 0 1 390.513 1.015 20 0 GDADMN O=C(CN[C@@]1(CO)CCc2ccccc21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826412179 608254729 /nfs/dbraw/zinc/25/47/29/608254729.db2.gz FEOLZGIFLLRYNB-LJQANCHMSA-N 0 1 398.854 1.882 20 0 GDADMN O[C@H](CN1CCN(c2ncccc2-c2nn[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000826510679 608385668 /nfs/dbraw/zinc/38/56/68/608385668.db2.gz FCNXFBUXQSVCMI-MRXNPFEDSA-N 0 1 385.859 1.771 20 0 GDADMN Cc1c(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cccc1-c1nn[nH]n1 ZINC000826242909 608394052 /nfs/dbraw/zinc/39/40/52/608394052.db2.gz LPXVCZBIIITWQF-UHFFFAOYSA-N 0 1 389.441 1.016 20 0 GDADMN CCOc1ccnc(N2CCCN(Cc3cccc(-c4nn[nH]n4)c3F)CC2)n1 ZINC000825659630 608402652 /nfs/dbraw/zinc/40/26/52/608402652.db2.gz XHKBOVLLAJGSIK-UHFFFAOYSA-N 0 1 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O=C(N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)c1cc(Cl)no1 ZINC001571284385 945899338 /nfs/dbraw/zinc/89/93/38/945899338.db2.gz PHRTUQOFJUFOFB-GFCCVEGCSA-N 0 1 387.831 1.903 20 0 GDADMN Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H]1C ZINC001571284664 945906002 /nfs/dbraw/zinc/90/60/02/945906002.db2.gz SFPMYWIGZSCMAC-ONGXEEELSA-N 0 1 387.835 1.084 20 0 GDADMN Cc1oc(NC(=O)CN2CC[N@H+](C3CCCC3)[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC001571284886 945906766 /nfs/dbraw/zinc/90/67/66/945906766.db2.gz VSGCDUBQXASJIZ-LBPRGKRZSA-N 0 1 387.488 1.964 20 0 GDADMN Cc1oc(NC(=O)CN2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC001571284886 945906770 /nfs/dbraw/zinc/90/67/70/945906770.db2.gz VSGCDUBQXASJIZ-LBPRGKRZSA-N 0 1 387.488 1.964 20 0 GDADMN CC(C)(O)CC(=O)N1CC[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571287594 945974824 /nfs/dbraw/zinc/97/48/24/945974824.db2.gz FRZCTBBTRVUXTJ-XJKSGUPXSA-N 0 1 388.447 1.200 20 0 GDADMN O=C(c1ccc(F)c(Cl)c1)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571290363 946037283 /nfs/dbraw/zinc/03/72/83/946037283.db2.gz CEOBBAHTBWEJHZ-JTQLQIEISA-N 0 1 388.794 1.198 20 0 GDADMN Cc1ccc2nc(CNS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)[nH]c2c1 ZINC000822275627 946043652 /nfs/dbraw/zinc/04/36/52/946043652.db2.gz XHUNOMLTQXIMIV-UHFFFAOYSA-N 0 1 383.437 1.838 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1ncn[nH]1 ZINC001571290785 946055407 /nfs/dbraw/zinc/05/54/07/946055407.db2.gz OWCIJPYIHPRKLR-WPRPVWTQSA-N 0 1 388.823 1.044 20 0 GDADMN O=C(N[C@H]1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1nc[nH]n1 ZINC001571290785 946055422 /nfs/dbraw/zinc/05/54/22/946055422.db2.gz OWCIJPYIHPRKLR-WPRPVWTQSA-N 0 1 388.823 1.044 20 0 GDADMN O=C(NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1coc(C(F)F)c1 ZINC001571294530 946136640 /nfs/dbraw/zinc/13/66/40/946136640.db2.gz INBOQNYRJQGLBY-UHFFFAOYSA-N 0 1 390.354 1.586 20 0 GDADMN O=C(NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cccc2c1OCC2 ZINC001571296208 946187022 /nfs/dbraw/zinc/18/70/22/946187022.db2.gz QMVVNIPTDAOXAU-UHFFFAOYSA-N 0 1 390.447 1.663 20 0 GDADMN Cc1cc(N2C[C@@H]3CN(C(=O)c4ccccn4)C[C@]3(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298181 946209158 /nfs/dbraw/zinc/20/91/58/946209158.db2.gz BKJOSFPWLJIUSG-VLIAUNLRSA-N 0 1 390.451 1.564 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1Cc2ccccc2C1 ZINC001571298487 946219642 /nfs/dbraw/zinc/21/96/42/946219642.db2.gz PINAHZAAGYUHNJ-INIZCTEOSA-N 0 1 390.451 1.157 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1csc(Cl)c1 ZINC001571298611 946221764 /nfs/dbraw/zinc/22/17/64/946221764.db2.gz BNNWPVVVNZPBFF-WCBMZHEXSA-N 0 1 390.860 1.509 20 0 GDADMN Cc1nsc(N[C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1-c1nn[n-]n1 ZINC001571299155 946240452 /nfs/dbraw/zinc/24/04/52/946240452.db2.gz JEQFKBFHYVFMOV-LBPRGKRZSA-N 0 1 390.517 1.519 20 0 GDADMN Cc1nsc(N[C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)c1-c1nn[n-]n1 ZINC001571299155 946240464 /nfs/dbraw/zinc/24/04/64/946240464.db2.gz JEQFKBFHYVFMOV-LBPRGKRZSA-N 0 1 390.517 1.519 20 0 GDADMN CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299372 946249153 /nfs/dbraw/zinc/24/91/53/946249153.db2.gz LRWXKYVHQBPBSS-VNHYZAJKSA-N 0 1 390.513 1.681 20 0 GDADMN CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299372 946249163 /nfs/dbraw/zinc/24/91/63/946249163.db2.gz LRWXKYVHQBPBSS-VNHYZAJKSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1csc(Cl)c1 ZINC001571299882 946265179 /nfs/dbraw/zinc/26/51/79/946265179.db2.gz QFJJWFFOZPIPBK-SCZZXKLOSA-N 0 1 390.860 1.509 20 0 GDADMN O=C(C[C@@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571300180 946276290 /nfs/dbraw/zinc/27/62/90/946276290.db2.gz WIXLLGCVMISWTA-UONOGXRCSA-N 0 1 390.513 1.683 20 0 GDADMN O=C(C[C@@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571300180 946276300 /nfs/dbraw/zinc/27/63/00/946276300.db2.gz WIXLLGCVMISWTA-UONOGXRCSA-N 0 1 390.513 1.683 20 0 GDADMN Cc1nsc(N2CCC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)c1-c1nn[nH]n1 ZINC001571300249 946277750 /nfs/dbraw/zinc/27/77/50/946277750.db2.gz XVDMWYFZCBTNCU-OLZOCXBDSA-N 0 1 390.517 1.201 20 0 GDADMN Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1-c1nn[n-]n1 ZINC001571300283 946278498 /nfs/dbraw/zinc/27/84/98/946278498.db2.gz YTVUZZGXGKWBKN-QWHCGFSZSA-N 0 1 390.517 1.153 20 0 GDADMN Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c1-c1nn[n-]n1 ZINC001571300283 946278507 /nfs/dbraw/zinc/27/85/07/946278507.db2.gz YTVUZZGXGKWBKN-QWHCGFSZSA-N 0 1 390.517 1.153 20 0 GDADMN Cc1cnc(C(=O)N[C@@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)cn1 ZINC001571303117 946327533 /nfs/dbraw/zinc/32/75/33/946327533.db2.gz MBXIQDOHDAUALU-MRXNPFEDSA-N 0 1 391.439 1.149 20 0 GDADMN Cc1cc([C@H]2CCCCN2S(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)n[nH]1 ZINC001571304078 946358267 /nfs/dbraw/zinc/35/82/67/946358267.db2.gz XNIKCQDOUILXLO-CYBMUJFWSA-N 0 1 391.432 1.953 20 0 GDADMN O=C(NC[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ncccn1 ZINC001571305865 946378923 /nfs/dbraw/zinc/37/89/23/946378923.db2.gz MEUYJHDAJUDOKJ-QMMMGPOBSA-N 0 1 391.848 1.023 20 0 GDADMN O=C(N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccccc1O ZINC001571306313 946396520 /nfs/dbraw/zinc/39/65/20/946396520.db2.gz SLTFLBDURBJIIO-MRVPVSSYSA-N 0 1 391.844 1.691 20 0 GDADMN Cc1nnccc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571306515 946401888 /nfs/dbraw/zinc/40/18/88/946401888.db2.gz WELJPRHMZIKCRA-MRVPVSSYSA-N 0 1 391.848 1.084 20 0 GDADMN CC(F)(F)C1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571308561 946435669 /nfs/dbraw/zinc/43/56/69/946435669.db2.gz QYLRXGOLUBNSEG-NSHDSACASA-N 0 1 392.414 1.165 20 0 GDADMN CN(C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571308870 946437938 /nfs/dbraw/zinc/43/79/38/946437938.db2.gz UBMMNJJCLQTWIK-NSHDSACASA-N 0 1 392.414 1.377 20 0 GDADMN O=C([C@@H]1CCC(F)(F)C1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571309370 946442270 /nfs/dbraw/zinc/44/22/70/946442270.db2.gz YKDXPOQYKWXCFX-VXGBXAGGSA-N 0 1 392.414 1.307 20 0 GDADMN O=C(C[C@H]1CCC(F)(F)C1)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571310255 946465405 /nfs/dbraw/zinc/46/54/05/946465405.db2.gz ZVBOYYHOOKMBEU-GFCCVEGCSA-N 0 1 392.414 1.521 20 0 GDADMN CCc1ccnc(C(=O)N2CCC(Nc3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)c1 ZINC001571312701 946498969 /nfs/dbraw/zinc/49/89/69/946498969.db2.gz AVILUNNHLQRXOM-UHFFFAOYSA-N 0 1 392.467 1.666 20 0 GDADMN CCc1cccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)n1 ZINC001571312852 946502929 /nfs/dbraw/zinc/50/29/29/946502929.db2.gz DTSJEXXGMJWJFB-BBRMVZONSA-N 0 1 392.467 1.604 20 0 GDADMN CCc1ccc([C@@H](C)C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571313854 946534347 /nfs/dbraw/zinc/53/43/47/946534347.db2.gz XEDDVIQLYRWLMO-CJNGLKHVSA-N 0 1 392.467 1.718 20 0 GDADMN CC(=O)NCC1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000823993842 946534501 /nfs/dbraw/zinc/53/45/01/946534501.db2.gz AOCKNHJIMXAGJZ-GOSISDBHSA-N 0 1 397.483 1.210 20 0 GDADMN CCn1cnc(C(=O)N2C[C@H]3CCN(Cc4ccccc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001571313831 946534627 /nfs/dbraw/zinc/53/46/27/946534627.db2.gz WYBAFESWRCWHHE-CRAIPNDOSA-N 0 1 392.467 1.430 20 0 GDADMN CN(C)c1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571313887 946535928 /nfs/dbraw/zinc/53/59/28/946535928.db2.gz XQEBTDXHVQCIDW-CTYIDZIISA-N 0 1 392.467 1.370 20 0 GDADMN Cc1cc(N[C@@H]2CCC[C@@H]3CN(C(=O)c4cc[nH]c4)C[C@H]32)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314735 946541940 /nfs/dbraw/zinc/54/19/40/946541940.db2.gz BSDXTAZQTNBWFW-DJIMGWMZSA-N 0 1 392.467 1.673 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571314071 946543357 /nfs/dbraw/zinc/54/33/57/946543357.db2.gz ZROMPUIAPURUEX-GOEBONIOSA-N 0 1 392.467 1.888 20 0 GDADMN Cc1cncc(CN2C[C@@H]3CCCN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)c1 ZINC001571316818 946589211 /nfs/dbraw/zinc/58/92/11/946589211.db2.gz NMSFTWCWCIBKGL-MAUKXSAKSA-N 0 1 392.467 1.635 20 0 GDADMN CC(=O)NCc1ccc(CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC001573533580 946716330 /nfs/dbraw/zinc/71/63/30/946716330.db2.gz UAQOGCZYMWQAGS-UHFFFAOYSA-N 0 1 392.467 1.220 20 0 GDADMN C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1)c1nnc[nH]1 ZINC000824506055 946751789 /nfs/dbraw/zinc/75/17/89/946751789.db2.gz KHRZBRSLCHQHRH-MRVPVSSYSA-N 0 1 399.806 1.707 20 0 GDADMN CC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nn[nH]n3)o1)CC2 ZINC001573547017 946826851 /nfs/dbraw/zinc/82/68/51/946826851.db2.gz UCBBIJJWMFLGQC-UHFFFAOYSA-N 0 1 388.409 1.165 20 0 GDADMN CC(=O)Nc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001573547744 946837722 /nfs/dbraw/zinc/83/77/22/946837722.db2.gz SDRCLXWLGNJXMB-GASCZTMLSA-N 0 1 392.423 1.015 20 0 GDADMN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825191419 947112081 /nfs/dbraw/zinc/11/20/81/947112081.db2.gz BQVLPURDTVMBMA-ZDUSSCGKSA-N 0 1 375.477 1.722 20 0 GDADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825191419 947112089 /nfs/dbraw/zinc/11/20/89/947112089.db2.gz BQVLPURDTVMBMA-ZDUSSCGKSA-N 0 1 375.477 1.722 20 0 GDADMN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825191419 947112096 /nfs/dbraw/zinc/11/20/96/947112096.db2.gz BQVLPURDTVMBMA-ZDUSSCGKSA-N 0 1 375.477 1.722 20 0 GDADMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825191419 947112104 /nfs/dbraw/zinc/11/21/04/947112104.db2.gz BQVLPURDTVMBMA-ZDUSSCGKSA-N 0 1 375.477 1.722 20 0 GDADMN CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825417422 947183799 /nfs/dbraw/zinc/18/37/99/947183799.db2.gz ROYZUNGAOJPIRL-UHFFFAOYSA-N 0 1 383.456 1.864 20 0 GDADMN CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825417422 947183803 /nfs/dbraw/zinc/18/38/03/947183803.db2.gz ROYZUNGAOJPIRL-UHFFFAOYSA-N 0 1 383.456 1.864 20 0 GDADMN C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573586361 947284433 /nfs/dbraw/zinc/28/44/33/947284433.db2.gz OXGLZXDPAKNVNT-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001573593768 947376658 /nfs/dbraw/zinc/37/66/58/947376658.db2.gz VSNODQDEBTVOOD-BBRMVZONSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573594055 947386492 /nfs/dbraw/zinc/38/64/92/947386492.db2.gz WXFXENXZMCICEW-WCQYABFASA-N 0 1 384.469 1.559 20 0 GDADMN C[C@@H](C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573595699 947423828 /nfs/dbraw/zinc/42/38/28/947423828.db2.gz ZSLQHGSKPFEITG-VOMCLLRMSA-N 0 1 384.469 1.345 20 0 GDADMN CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1(C)C ZINC000826144526 947456720 /nfs/dbraw/zinc/45/67/20/947456720.db2.gz LWNACNWKHXVREO-PPKCKEKNSA-N 0 1 378.458 1.479 20 0 GDADMN C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573619894 947674844 /nfs/dbraw/zinc/67/48/44/947674844.db2.gz YQQAZNGJTFWDGE-LBPRGKRZSA-N 0 1 382.428 1.481 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccn1 ZINC001573623377 947686191 /nfs/dbraw/zinc/68/61/91/947686191.db2.gz DWBMHHZFOAMPLO-WFASDCNBSA-N 0 1 384.419 1.154 20 0 GDADMN C/C(=C/C(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C1CC1 ZINC001573364969 947727807 /nfs/dbraw/zinc/72/78/07/947727807.db2.gz RZQITYKDQDQBRZ-VPLQDYMCSA-N 0 1 381.484 1.999 20 0 GDADMN CC(=O)CCCC(=O)N(C)C[C@@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001573367297 947757915 /nfs/dbraw/zinc/75/79/15/947757915.db2.gz BPROUBBZSLCSJJ-GFCCVEGCSA-N 0 1 376.436 1.702 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573628622 947760471 /nfs/dbraw/zinc/76/04/71/947760471.db2.gz NAIOEQXQJKNNOB-MCIONIFRSA-N 0 1 384.488 1.909 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001573628948 947767326 /nfs/dbraw/zinc/76/73/26/947767326.db2.gz PIQVPTZKSNVHSB-KBPBESRZSA-N 0 1 381.440 1.873 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573629189 947773120 /nfs/dbraw/zinc/77/31/20/947773120.db2.gz RFYXEZFAORKIBU-WDEREUQCSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573629249 947775739 /nfs/dbraw/zinc/77/57/39/947775739.db2.gz MZDSLIGLDQSLKH-KGLIPLIRSA-N 0 1 384.488 1.768 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573369671 947775910 /nfs/dbraw/zinc/77/59/10/947775910.db2.gz WKDPWGHIROXVRQ-JSGCOSHPSA-N 0 1 390.513 1.872 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573369671 947775915 /nfs/dbraw/zinc/77/59/15/947775915.db2.gz WKDPWGHIROXVRQ-JSGCOSHPSA-N 0 1 390.513 1.872 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@H]1Cc1ccc(O)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573629374 947777171 /nfs/dbraw/zinc/77/71/71/947777171.db2.gz SHTAWLWHSIOZML-OCCSQVGLSA-N 0 1 382.428 1.349 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573369940 947780382 /nfs/dbraw/zinc/78/03/82/947780382.db2.gz ZWJVWNYPFLWBDI-GASCZTMLSA-N 0 1 383.456 1.509 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001573374622 947812143 /nfs/dbraw/zinc/81/21/43/947812143.db2.gz OOBNSWMFJLQYEP-ZFWWWQNUSA-N 0 1 385.472 1.543 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)(C)C ZINC001573375551 947821720 /nfs/dbraw/zinc/82/17/20/947821720.db2.gz ODOUPLTUWOKAEV-MRXNPFEDSA-N 0 1 387.488 1.694 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1cccs1 ZINC001573638553 947839259 /nfs/dbraw/zinc/83/92/59/947839259.db2.gz PNGYQFTVEADPPY-QWHCGFSZSA-N 0 1 383.481 1.952 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(C)(F)F ZINC001573638831 947844925 /nfs/dbraw/zinc/84/49/25/947844925.db2.gz WUKDGJSHPHXVKU-GRYCIOLGSA-N 0 1 392.414 1.375 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CCC1 ZINC001573650360 947908681 /nfs/dbraw/zinc/90/86/81/947908681.db2.gz AXHGVWRCTFTEAU-YUELXQCFSA-N 0 1 382.472 1.378 20 0 GDADMN C[C@H](C(=O)N[C@]1(CO)CCCN(Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573664254 948051357 /nfs/dbraw/zinc/05/13/57/948051357.db2.gz SNMFWWQRFBZYGI-VBKZILBWSA-N 0 1 384.484 1.356 20 0 GDADMN CC(=O)N(C)c1ccc(CNS(=O)(=O)c2ccsc2-c2nn[nH]n2)cc1 ZINC001573409849 948076407 /nfs/dbraw/zinc/07/64/07/948076407.db2.gz XBBARVMTKCWEML-UHFFFAOYSA-N 0 1 392.466 1.389 20 0 GDADMN Cn1cc(CN2CCS[C@@H]3COCC[C@@H]32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361348 948131825 /nfs/dbraw/zinc/13/18/25/948131825.db2.gz UDRVOZSXHMRTQN-DLBZAZTESA-N 0 1 397.508 1.974 20 0 GDADMN Cn1cnc(-c2cccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)c2)n1 ZINC000826364765 948141864 /nfs/dbraw/zinc/14/18/64/948141864.db2.gz KFDMJJNOEKXALB-UHFFFAOYSA-N 0 1 382.409 1.463 20 0 GDADMN CC(=O)N1CC2(CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)[C@H]2COC[C@H]21 ZINC001573426713 948159879 /nfs/dbraw/zinc/15/98/79/948159879.db2.gz PALMJRLPWDYXTN-LSDHHAIUSA-N 0 1 388.497 1.388 20 0 GDADMN CC(=O)N1CC2(CC[NH+](Cc3ccc(-c4nn[n-]n4)s3)CC2)[C@H]2COC[C@H]21 ZINC001573426713 948159882 /nfs/dbraw/zinc/15/98/82/948159882.db2.gz PALMJRLPWDYXTN-LSDHHAIUSA-N 0 1 388.497 1.388 20 0 GDADMN C[C@@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[NH+]1CCCCCC1 ZINC001573679266 948160802 /nfs/dbraw/zinc/16/08/02/948160802.db2.gz KKJLNCYDJLUVQR-ZDUSSCGKSA-N 0 1 389.529 1.493 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680535 948183070 /nfs/dbraw/zinc/18/30/70/948183070.db2.gz QOUCOXNZRVKAOL-NXEZZACHSA-N 0 1 380.403 1.279 20 0 GDADMN CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573432077 948186395 /nfs/dbraw/zinc/18/63/95/948186395.db2.gz CTBXQHSWUOFLHV-TZMCWYRMSA-N 0 1 386.353 1.895 20 0 GDADMN O=C([C@@H]1CCCCS1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826399018 948213723 /nfs/dbraw/zinc/21/37/23/948213723.db2.gz KMJILBOGZOUDSG-LBPRGKRZSA-N 0 1 389.485 1.666 20 0 GDADMN C[C@@H](C(=O)NC[C@@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)C1CC1 ZINC001573695611 948307883 /nfs/dbraw/zinc/30/78/83/948307883.db2.gz HNWYVEVXKRQYDE-BLVKFPJESA-N 0 1 388.447 1.105 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H](C)C(=O)[O-] ZINC001602757131 971470498 /nfs/dbraw/zinc/47/04/98/971470498.db2.gz BKLOTRKPRCYKEO-HOCLYGCPSA-N 0 1 385.505 1.935 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573704907 948386777 /nfs/dbraw/zinc/38/67/77/948386777.db2.gz UTZRUSGEAGVUFW-MNOVXSKESA-N 0 1 383.378 1.793 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F)C1CC1 ZINC001573705445 948399780 /nfs/dbraw/zinc/39/97/80/948399780.db2.gz FQVGPUDHDCDBIP-CMPLNLGQSA-N 0 1 392.414 1.281 20 0 GDADMN C[C@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573707570 948434700 /nfs/dbraw/zinc/43/47/00/948434700.db2.gz QDOLCSDNEPVSJS-AWEZNQCLSA-N 0 1 392.467 1.793 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CC1 ZINC001573707736 948437448 /nfs/dbraw/zinc/43/74/48/948437448.db2.gz PHLYQKHHSZEHRY-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573716568 948501495 /nfs/dbraw/zinc/50/14/95/948501495.db2.gz HZAFAUYFIZMNFS-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573718925 948521008 /nfs/dbraw/zinc/52/10/08/948521008.db2.gz UXOGNMQAZUBYBA-RYUDHWBXSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573718925 948521014 /nfs/dbraw/zinc/52/10/14/948521014.db2.gz UXOGNMQAZUBYBA-RYUDHWBXSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)C(C)(F)F ZINC001573728649 948564341 /nfs/dbraw/zinc/56/43/41/948564341.db2.gz QFDCFAOJLLYSNB-IJLUTSLNSA-N 0 1 379.415 1.742 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573729515 948570164 /nfs/dbraw/zinc/57/01/64/948570164.db2.gz UKAXCCYEFMMSRE-QLFBSQMISA-N 0 1 380.456 1.443 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573754080 948724476 /nfs/dbraw/zinc/72/44/76/948724476.db2.gz ZYGQYATXMBCRNX-IJLUTSLNSA-N 0 1 382.403 1.081 20 0 GDADMN CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001575221772 948752423 /nfs/dbraw/zinc/75/24/23/948752423.db2.gz CFAAIPJBOAGAND-NSHDSACASA-N 0 1 377.399 1.379 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001575222220 948755806 /nfs/dbraw/zinc/75/58/06/948755806.db2.gz GTQTVDCAJMPSIZ-AWEZNQCLSA-N 0 1 376.411 1.993 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001573755130 948757884 /nfs/dbraw/zinc/75/78/84/948757884.db2.gz ARUFIEPDETUNOW-LBPRGKRZSA-N 0 1 381.444 1.295 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755130 948757895 /nfs/dbraw/zinc/75/78/95/948757895.db2.gz ARUFIEPDETUNOW-LBPRGKRZSA-N 0 1 381.444 1.295 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755130 948757906 /nfs/dbraw/zinc/75/79/06/948757906.db2.gz ARUFIEPDETUNOW-LBPRGKRZSA-N 0 1 381.444 1.295 20 0 GDADMN C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574679305 948773056 /nfs/dbraw/zinc/77/30/56/948773056.db2.gz SGQHQTHIXBFXFP-ZDUSSCGKSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574679305 948773064 /nfs/dbraw/zinc/77/30/64/948773064.db2.gz SGQHQTHIXBFXFP-ZDUSSCGKSA-N 0 1 387.492 1.228 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574419984 948793287 /nfs/dbraw/zinc/79/32/87/948793287.db2.gz NHKUHXVABPWQNV-OAHLLOKOSA-N 0 1 378.440 1.789 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncc1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574916957 948798564 /nfs/dbraw/zinc/79/85/64/948798564.db2.gz NKCGNFBTLFJVAN-CYBMUJFWSA-N 0 1 383.431 1.628 20 0 GDADMN CC(C)[C@H](F)C(=O)NCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001574081070 948815109 /nfs/dbraw/zinc/81/51/09/948815109.db2.gz PDMXAJIJOCFTSE-KRWDZBQOSA-N 0 1 389.479 1.095 20 0 GDADMN C[C@H](C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756533 948820597 /nfs/dbraw/zinc/82/05/97/948820597.db2.gz SSEPZTLBALNSCE-LLVKDONJSA-N 0 1 376.384 1.218 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575227321 948825950 /nfs/dbraw/zinc/82/59/50/948825950.db2.gz SUAXENNUTKJALO-MNOVXSKESA-N 0 1 378.387 1.272 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccsc1 ZINC001573757301 948833417 /nfs/dbraw/zinc/83/34/17/948833417.db2.gz ZQFIDVJOKOJELR-YZOIGVHSSA-N 0 1 381.465 1.678 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cc1c[nH]cn1 ZINC001574684714 948883909 /nfs/dbraw/zinc/88/39/09/948883909.db2.gz LLIVSESDVCBSMB-SSDOTTSWSA-N 0 1 381.853 1.249 20 0 GDADMN C[C@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920255 948896775 /nfs/dbraw/zinc/89/67/75/948896775.db2.gz GYKRMNDZGZZUCK-SNVBAGLBSA-N 0 1 377.499 1.612 20 0 GDADMN C[C@H](CNC(=O)CCc1nccs1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574920255 948896786 /nfs/dbraw/zinc/89/67/86/948896786.db2.gz GYKRMNDZGZZUCK-SNVBAGLBSA-N 0 1 377.499 1.612 20 0 GDADMN CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001574088581 948928686 /nfs/dbraw/zinc/92/86/86/948928686.db2.gz BKFXTYXPSJDGIT-KGLIPLIRSA-N 0 1 391.501 1.145 20 0 GDADMN CC(C)(C(=O)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C(F)F ZINC001573772090 948952263 /nfs/dbraw/zinc/95/22/63/948952263.db2.gz QHIRSDDCVCBNKC-QWHCGFSZSA-N 0 1 391.426 1.814 20 0 GDADMN CC(C)c1ncncc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574433323 948953994 /nfs/dbraw/zinc/95/39/94/948953994.db2.gz UOCVXNNFOSIEQJ-MRXNPFEDSA-N 0 1 392.467 1.784 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433855 948967011 /nfs/dbraw/zinc/96/70/11/948967011.db2.gz SUAGBAVYJBJPNS-ZJUUUORDSA-N 0 1 387.473 1.277 20 0 GDADMN C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574925757 948975834 /nfs/dbraw/zinc/97/58/34/948975834.db2.gz DBQLIPDHIRMQFW-QMMMGPOBSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574925757 948975844 /nfs/dbraw/zinc/97/58/44/948975844.db2.gz DBQLIPDHIRMQFW-QMMMGPOBSA-N 0 1 384.897 1.378 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O)C1CC1 ZINC001573773270 948976466 /nfs/dbraw/zinc/97/64/66/948976466.db2.gz IXWZVYPFALGDPC-UONOGXRCSA-N 0 1 390.513 1.416 20 0 GDADMN CC(C)(C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cccnc1 ZINC001573775233 949036979 /nfs/dbraw/zinc/03/69/79/949036979.db2.gz UOAQQSMVVZWQCI-QGZVFWFLSA-N 0 1 392.467 1.363 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574692946 949044591 /nfs/dbraw/zinc/04/45/91/949044591.db2.gz DPSTURHMORESTC-RKDXNWHRSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574692946 949044612 /nfs/dbraw/zinc/04/46/12/949044612.db2.gz DPSTURHMORESTC-RKDXNWHRSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574694132 949071136 /nfs/dbraw/zinc/07/11/36/949071136.db2.gz LWEIBGKKHYBMLN-BBRMVZONSA-N 0 1 387.488 1.538 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574093189 949091299 /nfs/dbraw/zinc/09/12/99/949091299.db2.gz UXXVWNHPNJVAIW-VLGRORTASA-N 0 1 384.459 1.844 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574694891 949097821 /nfs/dbraw/zinc/09/78/21/949097821.db2.gz XQOCBWVRAVCEAJ-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574694891 949097837 /nfs/dbraw/zinc/09/78/37/949097837.db2.gz XQOCBWVRAVCEAJ-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CNC(=O)COCC1CC1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574931113 949113833 /nfs/dbraw/zinc/11/38/33/949113833.db2.gz NNELSGUXJXOMLU-MRVPVSSYSA-N 0 1 385.881 1.567 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001574093655 949115588 /nfs/dbraw/zinc/11/55/88/949115588.db2.gz XEWLWZZFAWVFDW-OCABDXPQSA-N 0 1 384.459 1.844 20 0 GDADMN C[C@H](NC(=O)C1(C)CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575251722 949145992 /nfs/dbraw/zinc/14/59/92/949145992.db2.gz CAWBTHYBDGELHE-LBPRGKRZSA-N 0 1 390.513 1.681 20 0 GDADMN CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574447348 949158576 /nfs/dbraw/zinc/15/85/76/949158576.db2.gz MQCGCLVMUSZKOM-NSHDSACASA-N 0 1 383.416 1.167 20 0 GDADMN CC(C)c1ocnc1CNC1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574448029 949177143 /nfs/dbraw/zinc/17/71/43/949177143.db2.gz BXMQMGILHDDJKZ-UHFFFAOYSA-N 0 1 384.444 1.604 20 0 GDADMN CC(C)c1ocnc1CNC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001574448878 949193341 /nfs/dbraw/zinc/19/33/41/949193341.db2.gz ODTZPQFKEINMBS-UHFFFAOYSA-N 0 1 384.444 1.701 20 0 GDADMN C[C@H](c1cnccn1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575515879 949200484 /nfs/dbraw/zinc/20/04/84/949200484.db2.gz MEJGWXLMPSETPH-OLZOCXBDSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574936202 949207807 /nfs/dbraw/zinc/20/78/07/949207807.db2.gz IGDCNYIXTYVOFC-LLVKDONJSA-N 0 1 382.428 1.311 20 0 GDADMN C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574936776 949214979 /nfs/dbraw/zinc/21/49/79/949214979.db2.gz KSYPCTYZJHEUGR-LLVKDONJSA-N 0 1 387.394 1.724 20 0 GDADMN CC(C)c1scnc1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574451731 949242289 /nfs/dbraw/zinc/24/22/89/949242289.db2.gz WFTUCYRPBQUZRK-SNVBAGLBSA-N 0 1 387.473 1.491 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCc2c(OC)cc(OC)cc2OC)C1 ZINC001589605849 949263147 /nfs/dbraw/zinc/26/31/47/949263147.db2.gz XKYXPVVTEJWGJN-HXUWFJFHSA-N 0 1 394.468 1.905 20 0 GDADMN CC(C)(C)C(=O)N1CCC[C@](CO)(NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573792737 949264354 /nfs/dbraw/zinc/26/43/54/949264354.db2.gz UUCLBDVBDFDNIX-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H](NC(=O)C1=CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575257542 949271444 /nfs/dbraw/zinc/27/14/44/949271444.db2.gz AFTUQQYARONOMH-LBPRGKRZSA-N 0 1 386.431 1.289 20 0 GDADMN CC(C)n1cc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574452979 949276145 /nfs/dbraw/zinc/27/61/45/949276145.db2.gz UGSFUYKUAFWEBB-ZDUSSCGKSA-N 0 1 381.444 1.035 20 0 GDADMN C[C@@H](c1ncccn1)N1CC[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575522546 949280389 /nfs/dbraw/zinc/28/03/89/949280389.db2.gz MOGKVSVGVKZOTB-STQMWFEESA-N 0 1 381.444 1.188 20 0 GDADMN C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574702642 949284131 /nfs/dbraw/zinc/28/41/31/949284131.db2.gz JUPXNMNJDLQMNC-JTQLQIEISA-N 0 1 383.378 1.675 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574940940 949286189 /nfs/dbraw/zinc/28/61/89/949286189.db2.gz MORCZAMJOOCHQB-ZDUSSCGKSA-N 0 1 377.452 1.720 20 0 GDADMN CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573796520 949340021 /nfs/dbraw/zinc/34/00/21/949340021.db2.gz SGVBMDTZKSYIEW-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573796520 949340045 /nfs/dbraw/zinc/34/00/45/949340045.db2.gz SGVBMDTZKSYIEW-GFCCVEGCSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575263850 949411454 /nfs/dbraw/zinc/41/14/54/949411454.db2.gz KGYXOOVKXFHXGA-BBATYDOGSA-N 0 1 390.513 1.416 20 0 GDADMN CC(C)CC(=O)NC1(CO)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001574114205 949412252 /nfs/dbraw/zinc/41/22/52/949412252.db2.gz SVCBVMFQFNBBNU-UHFFFAOYSA-N 0 1 390.463 1.495 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704937 949413629 /nfs/dbraw/zinc/41/36/29/949413629.db2.gz GFGMSNAQAZCFSH-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704937 949413638 /nfs/dbraw/zinc/41/36/38/949413638.db2.gz GFGMSNAQAZCFSH-IUCAKERBSA-N 0 1 384.897 1.330 20 0 GDADMN CC1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575534797 949433188 /nfs/dbraw/zinc/43/31/88/949433188.db2.gz PNRCFVCGVWPJIU-CYBMUJFWSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOCC1 ZINC001575534797 949433208 /nfs/dbraw/zinc/43/32/08/949433208.db2.gz PNRCFVCGVWPJIU-CYBMUJFWSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4ccnc(-c5nn[nH]n5)n4)[C@@H]3C2)CCC1 ZINC001575534903 949437361 /nfs/dbraw/zinc/43/73/61/949437361.db2.gz RXOBOMHENGVKKR-BFHYXJOUSA-N 0 1 382.472 1.308 20 0 GDADMN CC(C)CC(=O)NC[C@@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001574117402 949466191 /nfs/dbraw/zinc/46/61/91/949466191.db2.gz SVUQCLCRPJCXCO-SFHVURJKSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268587 949520778 /nfs/dbraw/zinc/52/07/78/949520778.db2.gz NZYWVMLQWBYNJA-OLZOCXBDSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](NC(=O)C[C@@H]1CCCO1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575269298 949548404 /nfs/dbraw/zinc/54/84/04/949548404.db2.gz SUYXLXMLGRVLOZ-LRDDRELGSA-N 0 1 388.447 1.511 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CCCCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576165973 949573191 /nfs/dbraw/zinc/57/31/91/949573191.db2.gz KREGWEYOKOZWQO-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1cc[nH]n1 ZINC001573810900 949579583 /nfs/dbraw/zinc/57/95/83/949579583.db2.gz FMSLYWSWJIZMOU-AWEZNQCLSA-N 0 1 388.501 1.515 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1cc[nH]n1 ZINC001573810900 949579597 /nfs/dbraw/zinc/57/95/97/949579597.db2.gz FMSLYWSWJIZMOU-AWEZNQCLSA-N 0 1 388.501 1.515 20 0 GDADMN C[C@@H](Nc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H](C)NC(=O)CC1(O)CCC1 ZINC001575270296 949581099 /nfs/dbraw/zinc/58/10/99/949581099.db2.gz ZEMXZUNRFVDTPX-JGVFFNPUSA-N 0 1 385.881 1.587 20 0 GDADMN C[C@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575873665 949586149 /nfs/dbraw/zinc/58/61/49/949586149.db2.gz BJRTWKVXSMSHTB-SWLSCSKDSA-N 0 1 381.444 1.091 20 0 GDADMN CC(C)CC(C)(C)C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001574127345 949608461 /nfs/dbraw/zinc/60/84/61/949608461.db2.gz GHKSKRCAISYMJQ-OAHLLOKOSA-N 0 1 392.479 1.645 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnccn1 ZINC001573811759 949610620 /nfs/dbraw/zinc/61/06/20/949610620.db2.gz NIKZIWAFVRLXAL-AWEZNQCLSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnccn1 ZINC001573811759 949610638 /nfs/dbraw/zinc/61/06/38/949610638.db2.gz NIKZIWAFVRLXAL-AWEZNQCLSA-N 0 1 386.485 1.653 20 0 GDADMN C[C@@H](CN(C)C(=O)CC1(O)CCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574714088 949624268 /nfs/dbraw/zinc/62/42/68/949624268.db2.gz BWIUXWKVRCMNAC-LBPRGKRZSA-N 0 1 376.436 1.247 20 0 GDADMN C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574477456 949657690 /nfs/dbraw/zinc/65/76/90/949657690.db2.gz RHJVGMDTWOKMIS-KGLIPLIRSA-N 0 1 389.504 1.377 20 0 GDADMN CCC[C@@H]1CN(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC[N@H+]1CCOC ZINC001589639467 949660179 /nfs/dbraw/zinc/66/01/79/949660179.db2.gz YCHBYXMXWJCJCP-MUZJZNNISA-N 0 1 397.516 1.541 20 0 GDADMN CC1(C(=O)N2CCO[C@H](CNCc3ccc(-c4nn[nH]n4)cc3F)C2)CCC1 ZINC001575548121 949661864 /nfs/dbraw/zinc/66/18/64/949661864.db2.gz QLPDVOKGHSTZJB-OAHLLOKOSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CCC(F)CC1 ZINC001573815945 949667634 /nfs/dbraw/zinc/66/76/34/949667634.db2.gz MFQSFUHZEIJPOQ-WXRRBKDZSA-N 0 1 390.467 1.550 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(F)CCCCC1 ZINC001573816182 949669728 /nfs/dbraw/zinc/66/97/28/949669728.db2.gz PMPXIWBNJULPTO-GFCCVEGCSA-N 0 1 390.467 1.694 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574958785 949696188 /nfs/dbraw/zinc/69/61/88/949696188.db2.gz NKYMCQIPQGXSGN-AEGPPILISA-N 0 1 378.440 1.047 20 0 GDADMN C[C@H](NC(=O)CCc1ccon1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575276127 949711931 /nfs/dbraw/zinc/71/19/31/949711931.db2.gz GRICLTLIMUGSJL-NSHDSACASA-N 0 1 387.469 1.486 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574478805 949722089 /nfs/dbraw/zinc/72/20/89/949722089.db2.gz ASULXJLALYQKGL-UONOGXRCSA-N 0 1 381.444 1.147 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1cccc1 ZINC001573818450 949730481 /nfs/dbraw/zinc/73/04/81/949730481.db2.gz LQRIEOBONXWYTD-MRXNPFEDSA-N 0 1 382.472 1.518 20 0 GDADMN C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576170736 949733619 /nfs/dbraw/zinc/73/36/19/949733619.db2.gz NVBPFVKUTXVNQU-BBRMVZONSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001574479298 949735171 /nfs/dbraw/zinc/73/51/71/949735171.db2.gz DMXPCGFMHGOMGQ-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccccc1F ZINC001573818713 949739337 /nfs/dbraw/zinc/73/93/37/949739337.db2.gz OPRDFLLXZLBJLR-CYBMUJFWSA-N 0 1 384.419 1.474 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574137760 949769036 /nfs/dbraw/zinc/76/90/36/949769036.db2.gz XEOGJWUJXORQHY-UKRRQHHQSA-N 0 1 386.504 1.800 20 0 GDADMN CC(C)(C)C12CC(C(=O)N3CCN(c4ccnc(-c5nn[nH]n5)n4)CC3)(C1)C2 ZINC001573823889 949842598 /nfs/dbraw/zinc/84/25/98/949842598.db2.gz AQANMQDWVULKAV-UHFFFAOYSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178617 949893941 /nfs/dbraw/zinc/89/39/41/949893941.db2.gz CGNBCWANEVMJPM-IAQYHMDHSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1cnccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725287 949900132 /nfs/dbraw/zinc/90/01/32/949900132.db2.gz RFNHNLUSHXTRCW-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](CN(C)C(=O)CCc1cnccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725287 949900155 /nfs/dbraw/zinc/90/01/55/949900155.db2.gz RFNHNLUSHXTRCW-LBPRGKRZSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574725894 949915599 /nfs/dbraw/zinc/91/55/99/949915599.db2.gz VNXUWFLTTOIECI-AWEZNQCLSA-N 0 1 380.456 1.079 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180148 949939593 /nfs/dbraw/zinc/93/95/93/949939593.db2.gz CJQZMWLPWQERCU-PWSUYJOCSA-N 0 1 392.414 1.020 20 0 GDADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574488425 949949013 /nfs/dbraw/zinc/94/90/13/949949013.db2.gz FVOHGVPRZNDWAD-JHJVBQTASA-N 0 1 382.428 1.124 20 0 GDADMN C[C@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574489277 949960217 /nfs/dbraw/zinc/96/02/17/949960217.db2.gz IAWRMAQFEFSEMF-NOZJJQNGSA-N 0 1 383.378 1.579 20 0 GDADMN CC(C)(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573831075 949988230 /nfs/dbraw/zinc/98/82/30/949988230.db2.gz SECNTBQOLCTZKL-GOSISDBHSA-N 0 1 392.529 1.808 20 0 GDADMN CC(C)(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573831075 949988249 /nfs/dbraw/zinc/98/82/49/949988249.db2.gz SECNTBQOLCTZKL-GOSISDBHSA-N 0 1 392.529 1.808 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891250 949995074 /nfs/dbraw/zinc/99/50/74/949995074.db2.gz GYHZQFPSFOIYEK-VHSXEESVSA-N 0 1 387.835 1.426 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181434 950007041 /nfs/dbraw/zinc/00/70/41/950007041.db2.gz IFWIBEVYKBHLSX-DZGCQCFKSA-N 0 1 381.440 1.416 20 0 GDADMN CC(C)(C)CC(=O)NC1(C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001573834747 950023873 /nfs/dbraw/zinc/02/38/73/950023873.db2.gz JYKRFZGDXSPTDI-UHFFFAOYSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CCN(C(=O)CCC2(C)CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182023 950034604 /nfs/dbraw/zinc/03/46/04/950034604.db2.gz KMQRZMCZGIWOAX-UONOGXRCSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)C[C@H](CN[C@@H](C)c1cnccn1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574150846 950040952 /nfs/dbraw/zinc/04/09/52/950040952.db2.gz FJYVZGNRFUHHID-GXTWGEPZSA-N 0 1 383.460 1.480 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1cnc(-c2nn[nH]n2)cn1 ZINC001576182374 950052550 /nfs/dbraw/zinc/05/25/50/950052550.db2.gz OENVZJXFWOVENF-BXUZGUMPSA-N 0 1 382.432 1.123 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H]1CCCO1 ZINC001574151209 950063958 /nfs/dbraw/zinc/06/39/58/950063958.db2.gz NKOXCLQZHIMRAL-WBVHZDCISA-N 0 1 390.463 1.805 20 0 GDADMN CC(C)C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](O)C(C)C ZINC001574151423 950074015 /nfs/dbraw/zinc/07/40/15/950074015.db2.gz QYACQGKLSKXAFR-NVXWUHKLSA-N 0 1 392.479 1.643 20 0 GDADMN CC(C)(C)CC(=O)NC[C@@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573836294 950077309 /nfs/dbraw/zinc/07/73/09/950077309.db2.gz JPIADVJSXWDKHS-IBGZPJMESA-N 0 1 390.463 1.495 20 0 GDADMN C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCC2)CCCOC1 ZINC001575577396 950080107 /nfs/dbraw/zinc/08/01/07/950080107.db2.gz VJGQMKLZKVSJIF-KRWDZBQOSA-N 0 1 390.513 1.873 20 0 GDADMN C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCC2)CCCOC1 ZINC001575577396 950080132 /nfs/dbraw/zinc/08/01/32/950080132.db2.gz VJGQMKLZKVSJIF-KRWDZBQOSA-N 0 1 390.513 1.873 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001574492963 950109857 /nfs/dbraw/zinc/10/98/57/950109857.db2.gz PUJCSEZTGIJDEX-UKRRQHHQSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734411 950131827 /nfs/dbraw/zinc/13/18/27/950131827.db2.gz LWUJZXWCRLQCMW-AGKSTNPPSA-N 0 1 392.467 1.531 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576185022 950151487 /nfs/dbraw/zinc/15/14/87/950151487.db2.gz YSXFPGMIXYVILX-SMDDNHRTSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576185022 950151501 /nfs/dbraw/zinc/15/15/01/950151501.db2.gz YSXFPGMIXYVILX-SMDDNHRTSA-N 0 1 387.469 1.947 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1C(C)(C)C1(C)C ZINC001574154089 950166365 /nfs/dbraw/zinc/16/63/65/950166365.db2.gz BCBOMLKZQONKHL-LBPRGKRZSA-N 0 1 386.504 1.704 20 0 GDADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1ccc(Cl)cc1F ZINC001574982755 950184497 /nfs/dbraw/zinc/18/44/97/950184497.db2.gz GLAOMMQPVXKCIG-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2csnn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575900060 950188604 /nfs/dbraw/zinc/18/86/04/950188604.db2.gz BOBONKGWSLVSMH-FZMZJTMJSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1ccc(F)cc1F ZINC001574739514 950194596 /nfs/dbraw/zinc/19/45/96/950194596.db2.gz QQZKFSGMUHIXHT-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573844566 950196972 /nfs/dbraw/zinc/19/69/72/950196972.db2.gz BMUCZVKOPMEMIA-HZSPNIEDSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576191407 950197019 /nfs/dbraw/zinc/19/70/19/950197019.db2.gz FWUSPVRJVIIQFH-NEPJUHHUSA-N 0 1 387.469 1.804 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cocn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576191407 950197032 /nfs/dbraw/zinc/19/70/32/950197032.db2.gz FWUSPVRJVIIQFH-NEPJUHHUSA-N 0 1 387.469 1.804 20 0 GDADMN CC(C)(C)CCCN1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573845297 950216913 /nfs/dbraw/zinc/21/69/13/950216913.db2.gz VMOFCMHBFYVHCP-IBGZPJMESA-N 0 1 389.504 1.842 20 0 GDADMN C[C@@H]1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379617742 971649181 /nfs/dbraw/zinc/64/91/81/971649181.db2.gz NNLHUGRGQCPEDG-TZMCWYRMSA-N 0 1 378.454 1.439 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)COC(C)(C)C ZINC001574159894 950322727 /nfs/dbraw/zinc/32/27/27/950322727.db2.gz ZGJODULKUMFEQW-ZDUSSCGKSA-N 0 1 375.477 1.442 20 0 GDADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)C[C@H]1CNc1cccc(F)c1-c1nn[nH]n1 ZINC001576194454 950340713 /nfs/dbraw/zinc/34/07/13/950340713.db2.gz ZZUBKUDGOXQMTK-VXGBXAGGSA-N 0 1 384.419 1.939 20 0 GDADMN CC(C)C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)c1cnn[nH]1 ZINC001574161193 950352537 /nfs/dbraw/zinc/35/25/37/950352537.db2.gz RZGIJIJXRYXWEI-JTQLQIEISA-N 0 1 390.839 1.290 20 0 GDADMN C[C@H]1[C@@H](NCc2nccn2C(F)F)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908198 950354548 /nfs/dbraw/zinc/35/45/48/950354548.db2.gz AWNSOBFPCLSYKX-ONGXEEELSA-N 0 1 391.386 1.179 20 0 GDADMN CC[N@@H+](C)Cc1cccc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001589715632 950378641 /nfs/dbraw/zinc/37/86/41/950378641.db2.gz YHSPOZRZDNPMKV-UHFFFAOYSA-N 0 1 382.482 1.034 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CC[C@H](CNc3ccncc3-c3nn[nH]n3)CC2)CCOC1 ZINC001575605344 950457180 /nfs/dbraw/zinc/45/71/80/950457180.db2.gz HPJVDVFZHDJSLR-PJIJBLCYSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204302 950458491 /nfs/dbraw/zinc/45/84/91/950458491.db2.gz NNXWXOLKNKAODG-QWHCGFSZSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576204302 950458499 /nfs/dbraw/zinc/45/84/99/950458499.db2.gz NNXWXOLKNKAODG-QWHCGFSZSA-N 0 1 375.452 1.654 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751649 950460578 /nfs/dbraw/zinc/46/05/78/950460578.db2.gz PVBBQHIBRJIRDK-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001575605452 950463635 /nfs/dbraw/zinc/46/36/35/950463635.db2.gz ODSVHNHWLNJFHA-GDBMZVCRSA-N 0 1 390.451 1.463 20 0 GDADMN C[C@@H](CC(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccccc1F ZINC001574507692 950463780 /nfs/dbraw/zinc/46/37/80/950463780.db2.gz HLWQJUFLDVELOX-LBPRGKRZSA-N 0 1 384.419 1.542 20 0 GDADMN C[C@@H]1CCN(CC(=O)N[C@@H](CNc2ccc(-c3nn[nH]n3)cn2)C(C)(C)C)C1 ZINC001576204536 950465257 /nfs/dbraw/zinc/46/52/57/950465257.db2.gz PYJFRFLNKKZSAI-HIFRSBDPSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@H](CC(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cc1 ZINC001574508915 950491807 /nfs/dbraw/zinc/49/18/07/950491807.db2.gz QKAYXZNRARBBKG-NEPJUHHUSA-N 0 1 384.419 1.328 20 0 GDADMN CC(C)(C)OCC(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001573866445 950502683 /nfs/dbraw/zinc/50/26/83/950502683.db2.gz CGPNINWUIVENNM-UHFFFAOYSA-N 0 1 385.881 1.440 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574753383 950523419 /nfs/dbraw/zinc/52/34/19/950523419.db2.gz LXEOWZGWCFBCLK-LBPRGKRZSA-N 0 1 379.424 1.286 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573870431 950591149 /nfs/dbraw/zinc/59/11/49/950591149.db2.gz WDTNGAKDCIGPTB-GFCCVEGCSA-N 0 1 388.476 1.193 20 0 GDADMN C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575000089 950595882 /nfs/dbraw/zinc/59/58/82/950595882.db2.gz OYNQTOFIBNTBPF-JTQLQIEISA-N 0 1 386.485 1.779 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575919616 950619916 /nfs/dbraw/zinc/61/99/16/950619916.db2.gz IMDKPOZHSFWTIF-NOZJJQNGSA-N 0 1 386.366 1.072 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccncc1-c1nn[nH]n1 ZINC001575001584 950637710 /nfs/dbraw/zinc/63/77/10/950637710.db2.gz WBFXYMJLLGXCBA-SSDOTTSWSA-N 0 1 381.227 1.549 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575922218 950644085 /nfs/dbraw/zinc/64/40/85/950644085.db2.gz OXIRFRFINGREBZ-RISCZKNCSA-N 0 1 391.439 1.066 20 0 GDADMN C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575001929 950645249 /nfs/dbraw/zinc/64/52/49/950645249.db2.gz PIRLXKPPBIXLOM-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001574176102 950671049 /nfs/dbraw/zinc/67/10/49/950671049.db2.gz UHCMSCQCQFAASM-RRFJBIMHSA-N 0 1 384.488 1.814 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)CC1=O ZINC001589745060 950679602 /nfs/dbraw/zinc/67/96/02/950679602.db2.gz VTSHZVVBWGBOFF-LZLYRXPVSA-N 0 1 399.491 1.924 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575926318 950705099 /nfs/dbraw/zinc/70/50/99/950705099.db2.gz JFUCNNGMXPIBOL-SMDDNHRTSA-N 0 1 378.440 1.216 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cncnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574763846 950733317 /nfs/dbraw/zinc/73/33/17/950733317.db2.gz MABPCPXCKCJZDU-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575927314 950738145 /nfs/dbraw/zinc/73/81/45/950738145.db2.gz OZTROQKUHSXWJJ-ABAIWWIYSA-N 0 1 379.424 1.480 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575927617 950746446 /nfs/dbraw/zinc/74/64/46/950746446.db2.gz QWPMZZNISOOACJ-BLLLJJGKSA-N 0 1 390.451 1.671 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CN[C@@H](C)c1nc(C2CC2)no1 ZINC001575008773 950756573 /nfs/dbraw/zinc/75/65/73/950756573.db2.gz HTUQDBLVWMSJNL-ZJUUUORDSA-N 0 1 385.432 1.172 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575927820 950759860 /nfs/dbraw/zinc/75/98/60/950759860.db2.gz VBPBUPZNWISZJM-WBMJQRKESA-N 0 1 390.451 1.671 20 0 GDADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575928086 950771308 /nfs/dbraw/zinc/77/13/08/950771308.db2.gz YLBFHFLXZIUZPC-GXFFZTMASA-N 0 1 380.412 1.264 20 0 GDADMN CC(C)(C)c1ncsc1C(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573885035 950811492 /nfs/dbraw/zinc/81/14/92/950811492.db2.gz MZLFTYVPTDZVOU-UHFFFAOYSA-N 0 1 387.473 1.065 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575633293 950817318 /nfs/dbraw/zinc/81/73/18/950817318.db2.gz RPJROXCKUACHAP-CYBMUJFWSA-N 0 1 384.488 1.816 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575633752 950820328 /nfs/dbraw/zinc/82/03/28/950820328.db2.gz VUOQHOBORLGJOC-HNNXBMFYSA-N 0 1 390.463 1.399 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576222360 950867395 /nfs/dbraw/zinc/86/73/95/950867395.db2.gz YHKARSMXAIALKT-VHSXEESVSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)C[C@@H](O)c1ccccc1F ZINC001575012188 950885298 /nfs/dbraw/zinc/88/52/98/950885298.db2.gz XPBNBHGFFALEKN-MEDUHNTESA-N 0 1 387.419 1.118 20 0 GDADMN CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001590208087 950886055 /nfs/dbraw/zinc/88/60/55/950886055.db2.gz HRIOOLONWSPNPX-FGTMMUONSA-N 0 1 388.464 1.588 20 0 GDADMN CC1(C)CC(CN2CC3(C2)C[C@H](NC(=O)c2ccc(-c4nn[nH]n4)[nH]2)CO3)C1 ZINC001575640276 950891458 /nfs/dbraw/zinc/89/14/58/950891458.db2.gz ZWOVDWDTHVMWLR-ZDUSSCGKSA-N 0 1 385.472 1.204 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575641264 950915520 /nfs/dbraw/zinc/91/55/20/950915520.db2.gz CAQFCYJCFMIHIE-SCLBCKFNSA-N 0 1 390.513 1.417 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575641264 950915536 /nfs/dbraw/zinc/91/55/36/950915536.db2.gz CAQFCYJCFMIHIE-SCLBCKFNSA-N 0 1 390.513 1.417 20 0 GDADMN CC(C)(CC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573897453 950961713 /nfs/dbraw/zinc/96/17/13/950961713.db2.gz PRXRTRFSLMNADJ-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN CC1(C)C[C@@H](NC(=O)c2ccon2)CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575643202 950967760 /nfs/dbraw/zinc/96/77/60/950967760.db2.gz ZSHGEAHTUBRRIR-LBPRGKRZSA-N 0 1 382.428 1.675 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)cn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575025134 951126598 /nfs/dbraw/zinc/12/65/98/951126598.db2.gz VRBRSHVEDMXPOZ-ZCFIWIBFSA-N 0 1 382.812 1.741 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)nc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575025447 951131402 /nfs/dbraw/zinc/13/14/02/951131402.db2.gz ZKVSXJXBPRDQAW-ZCFIWIBFSA-N 0 1 382.812 1.741 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1ccn2C)Nc1ccncc1-c1nn[nH]n1 ZINC001575027238 951154485 /nfs/dbraw/zinc/15/44/85/951154485.db2.gz DJSYXVKDDRHHQO-GFCCVEGCSA-N 0 1 376.424 1.406 20 0 GDADMN C[C@@H](CNC(=O)c1cccc(C(C)(C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027563 951160095 /nfs/dbraw/zinc/16/00/95/951160095.db2.gz SAKOGTJRJLZREX-LBPRGKRZSA-N 0 1 380.456 1.607 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575029941 951191026 /nfs/dbraw/zinc/19/10/26/951191026.db2.gz YVIZGUSVDQYDEU-NSHDSACASA-N 0 1 384.465 1.771 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1OCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575029941 951191031 /nfs/dbraw/zinc/19/10/31/951191031.db2.gz YVIZGUSVDQYDEU-NSHDSACASA-N 0 1 384.465 1.771 20 0 GDADMN C[C@@H](CNC(=O)c1cccn1C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575032204 951218699 /nfs/dbraw/zinc/21/86/99/951218699.db2.gz UARMGXOMXAOYTQ-QMMMGPOBSA-N 0 1 380.865 1.793 20 0 GDADMN C[C@H](CNC(=O)c1ccsc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575037613 951307504 /nfs/dbraw/zinc/30/75/04/951307504.db2.gz BQBLCDWFRHSZDW-MRVPVSSYSA-N 0 1 378.849 1.626 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001575038540 951323474 /nfs/dbraw/zinc/32/34/74/951323474.db2.gz JXOCSSASURDAGQ-GFCCVEGCSA-N 0 1 386.435 1.691 20 0 GDADMN CC(C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)[O-] ZINC000389849354 951361590 /nfs/dbraw/zinc/36/15/90/951361590.db2.gz UGVKYZDMQYQGIH-QZTJIDSGSA-N 0 1 377.485 1.934 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575051895 951454819 /nfs/dbraw/zinc/45/48/19/951454819.db2.gz AILWHKMYQFKUCU-QMMMGPOBSA-N 0 1 382.400 1.428 20 0 GDADMN C[C@@H](CNC(=O)c1cnn(C(F)F)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575051895 951454822 /nfs/dbraw/zinc/45/48/22/951454822.db2.gz AILWHKMYQFKUCU-QMMMGPOBSA-N 0 1 382.400 1.428 20 0 GDADMN C[C@H](CNC(=O)c1cnn2c1CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575053732 951484449 /nfs/dbraw/zinc/48/44/49/951484449.db2.gz DIXAJAWOTLYCBL-LLVKDONJSA-N 0 1 384.419 1.057 20 0 GDADMN C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575056023 951515614 /nfs/dbraw/zinc/51/56/14/951515614.db2.gz DRTCBWXDHURILX-JTQLQIEISA-N 0 1 384.469 1.850 20 0 GDADMN C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575056293 951517810 /nfs/dbraw/zinc/51/78/10/951517810.db2.gz GSZYALYZPFWDQD-NSHDSACASA-N 0 1 382.428 1.102 20 0 GDADMN C[C@H](CNC(=O)c1cscn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575062849 951573364 /nfs/dbraw/zinc/57/33/64/951573364.db2.gz ZQDIWIRUKBIFBQ-ZCFIWIBFSA-N 0 1 384.878 1.688 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001575100108 951841251 /nfs/dbraw/zinc/84/12/51/951841251.db2.gz QSWAFLCIFQQQTP-GFCCVEGCSA-N 0 1 388.501 1.861 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001575100108 951841257 /nfs/dbraw/zinc/84/12/57/951841257.db2.gz QSWAFLCIFQQQTP-GFCCVEGCSA-N 0 1 388.501 1.861 20 0 GDADMN C[C@H](CNC(=O)CCc1cncs1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100481 951845903 /nfs/dbraw/zinc/84/59/03/951845903.db2.gz SWRCBBIIGGYTMQ-NSHDSACASA-N 0 1 391.526 1.859 20 0 GDADMN C[C@H](CNC(=O)CCc1cncs1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100481 951845915 /nfs/dbraw/zinc/84/59/15/951845915.db2.gz SWRCBBIIGGYTMQ-NSHDSACASA-N 0 1 391.526 1.859 20 0 GDADMN C[C@H](CNCc1cccc(F)c1F)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575115182 951963101 /nfs/dbraw/zinc/96/31/01/951963101.db2.gz VKAHAXKTBUCQAV-SNVBAGLBSA-N 0 1 375.383 1.723 20 0 GDADMN C[C@H](CNCc1ncc(Cl)s1)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575118216 951983893 /nfs/dbraw/zinc/98/38/93/951983893.db2.gz QYMBRHVQVHHAKM-MRVPVSSYSA-N 0 1 380.865 1.460 20 0 GDADMN C[C@@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001575125476 952042599 /nfs/dbraw/zinc/04/25/99/952042599.db2.gz ZGDSWMYJYXJWNQ-SFHVURJKSA-N 0 1 381.444 1.314 20 0 GDADMN C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575133574 952106057 /nfs/dbraw/zinc/10/60/57/952106057.db2.gz LGPHPXPZOVAMTE-CYBMUJFWSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CCC=CCC1)C1CC1 ZINC001575133868 952107579 /nfs/dbraw/zinc/10/75/79/952107579.db2.gz GXVQLFGOACUICM-IBGZPJMESA-N 0 1 382.472 1.522 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575143886 952159538 /nfs/dbraw/zinc/15/95/38/952159538.db2.gz DKMGBAVZYYRWDQ-SFHVURJKSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C(F)F)cc1 ZINC001575143882 952159604 /nfs/dbraw/zinc/15/96/04/952159604.db2.gz DIJCPRJCGQRUFY-SNVBAGLBSA-N 0 1 388.382 1.589 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575145022 952177087 /nfs/dbraw/zinc/17/70/87/952177087.db2.gz OFGKUBFAFVNETD-QGZVFWFLSA-N 0 1 384.469 1.080 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575145049 952177513 /nfs/dbraw/zinc/17/75/13/952177513.db2.gz OSFRGTYICCTSQU-BFUOFWGJSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575145235 952179639 /nfs/dbraw/zinc/17/96/39/952179639.db2.gz TXGCDJBMAGALJO-KRWDZBQOSA-N 0 1 384.469 1.080 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C2CC2)cc1 ZINC001575145537 952186333 /nfs/dbraw/zinc/18/63/33/952186333.db2.gz ZOANZGJJGGGADV-GFCCVEGCSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575145638 952187521 /nfs/dbraw/zinc/18/75/21/952187521.db2.gz BTMMMEBDSDCRQT-SNVBAGLBSA-N 0 1 384.469 1.590 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575146452 952194098 /nfs/dbraw/zinc/19/40/98/952194098.db2.gz LHFGNYQJMHOMIF-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cccnn1 ZINC001575165576 952310355 /nfs/dbraw/zinc/31/03/55/952310355.db2.gz POMXMUKGBDZRQI-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCN(CC(=O)[O-])C3=O)C[C@]2(C)C1 ZINC001602896022 971823121 /nfs/dbraw/zinc/82/31/21/971823121.db2.gz RWFCFNPLUGOKOJ-FASAQXTFSA-N 0 1 381.473 1.251 20 0 GDADMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CCS(=O)(=O)CC(=O)[O-])C[C@@H]21 ZINC001602902609 971826981 /nfs/dbraw/zinc/82/69/81/971826981.db2.gz DILMSHZMZVAADS-HZSPNIEDSA-N 0 1 390.502 1.111 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575188392 952447502 /nfs/dbraw/zinc/44/75/02/952447502.db2.gz HVHUIKAFGZQHAD-CYBMUJFWSA-N 0 1 384.444 1.413 20 0 GDADMN C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575189372 952456147 /nfs/dbraw/zinc/45/61/47/952456147.db2.gz NYZTXXYQQHNBHG-CYBMUJFWSA-N 0 1 383.431 1.832 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)Cc1ccccc1F ZINC001575191078 952466565 /nfs/dbraw/zinc/46/65/65/952466565.db2.gz WWAVROYFAMTRHM-VXGBXAGGSA-N 0 1 384.419 1.013 20 0 GDADMN O=C(Cc1ccccc1)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571116849 952478603 /nfs/dbraw/zinc/47/86/03/952478603.db2.gz FAMWWBYMBRQOGK-IYBDPMFKSA-N 0 1 375.436 1.399 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCN(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575200268 952493622 /nfs/dbraw/zinc/49/36/22/952493622.db2.gz HUYDNEMMUQZYNB-GFCCVEGCSA-N 0 1 386.435 1.156 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575200282 952494615 /nfs/dbraw/zinc/49/46/15/952494615.db2.gz BZOYNSRZNBMFIK-ZDUSSCGKSA-N 0 1 380.456 1.111 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001571120001 952497039 /nfs/dbraw/zinc/49/70/39/952497039.db2.gz HTGIPXHGJBLNSP-SNPRPXQTSA-N 0 1 376.424 1.250 20 0 GDADMN O=C(N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC1(F)F ZINC001571120372 952502191 /nfs/dbraw/zinc/50/21/91/952502191.db2.gz LUNCGUMTDNVUQO-ZFWWWQNUSA-N 0 1 376.411 1.993 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CNc1ncccc1-c1nn[nH]n1)C1CC1 ZINC001575202508 952513343 /nfs/dbraw/zinc/51/33/43/952513343.db2.gz ORMRNYSHKZQCOI-ABAIWWIYSA-N 0 1 381.444 1.170 20 0 GDADMN CS[C@H](C)C(=O)N1CCC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571120983 952513386 /nfs/dbraw/zinc/51/33/86/952513386.db2.gz TYFRMNGPPNNTOF-CHWSQXEVSA-N 0 1 375.502 1.688 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001575202738 952516235 /nfs/dbraw/zinc/51/62/35/952516235.db2.gz XSJMTYYTXQPGRN-VXGBXAGGSA-N 0 1 386.435 1.549 20 0 GDADMN O=C([C@@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571122782 952526053 /nfs/dbraw/zinc/52/60/53/952526053.db2.gz LDDXWGLHBPOJAU-CHWSQXEVSA-N 0 1 376.486 1.293 20 0 GDADMN O=C([C@@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571122782 952526056 /nfs/dbraw/zinc/52/60/56/952526056.db2.gz LDDXWGLHBPOJAU-CHWSQXEVSA-N 0 1 376.486 1.293 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1csc(Cl)c1 ZINC001571122805 952526260 /nfs/dbraw/zinc/52/62/60/952526260.db2.gz LNPNWNZRLLLTEZ-SECBINFHSA-N 0 1 376.833 1.380 20 0 GDADMN O=C(C[C@H]1CCCC1(F)F)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571124261 952536371 /nfs/dbraw/zinc/53/63/71/952536371.db2.gz CWPHSLHKIGJDHP-VXGBXAGGSA-N 0 1 377.399 1.522 20 0 GDADMN Cc1cc(N2CCC[C@@H]2CNC(=O)C2CC(F)(F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124646 952542294 /nfs/dbraw/zinc/54/22/94/952542294.db2.gz QDAGOYADCMKSSR-GFCCVEGCSA-N 0 1 377.399 1.700 20 0 GDADMN CC1(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CC(F)(F)C1 ZINC001571124713 952542780 /nfs/dbraw/zinc/54/27/80/952542780.db2.gz RWPDSYGCYAFWOW-NSHDSACASA-N 0 1 377.399 1.379 20 0 GDADMN CCN(C(=O)[C@H]1CCC1(F)F)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571130456 952579544 /nfs/dbraw/zinc/57/95/44/952579544.db2.gz RCIYAVAYVRCIST-GHMZBOCLSA-N 0 1 378.387 1.129 20 0 GDADMN Cc1cc(NC[C@H]2CCCN2C(=O)Cc2cccnc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134059 952584600 /nfs/dbraw/zinc/58/46/00/952584600.db2.gz CUDKTHSRCDFMEL-OAHLLOKOSA-N 0 1 378.440 1.033 20 0 GDADMN CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571134953 952597509 /nfs/dbraw/zinc/59/75/09/952597509.db2.gz NXXMHJBSYLDXKI-HIFRSBDPSA-N 0 1 378.440 1.431 20 0 GDADMN Cc1cc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)cc(C)n1 ZINC001571135067 952599139 /nfs/dbraw/zinc/59/91/39/952599139.db2.gz OXMBKOQCTPPORP-GTNSWQLSSA-N 0 1 378.440 1.268 20 0 GDADMN Cc1cc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2cc[nH]c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135135 952600457 /nfs/dbraw/zinc/60/04/57/952600457.db2.gz POHSHBCXAWLLLQ-CVEARBPZSA-N 0 1 378.440 1.782 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2ccncn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571135285 952601659 /nfs/dbraw/zinc/60/16/59/952601659.db2.gz STDWDFZPJVXSFF-BBRMVZONSA-N 0 1 378.440 1.440 20 0 GDADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000383168912 971852827 /nfs/dbraw/zinc/85/28/27/971852827.db2.gz XABIZKNRWFCYFQ-INIZCTEOSA-N 0 1 389.477 1.922 20 0 GDADMN C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC001571135639 952606923 /nfs/dbraw/zinc/60/69/23/952606923.db2.gz ZRUISHUYTPQREH-OAHLLOKOSA-N 0 1 378.440 1.393 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141087 952631031 /nfs/dbraw/zinc/63/10/31/952631031.db2.gz GPTSDRFAFZOHHJ-QWHCGFSZSA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141087 952631038 /nfs/dbraw/zinc/63/10/38/952631038.db2.gz GPTSDRFAFZOHHJ-QWHCGFSZSA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141087 952631040 /nfs/dbraw/zinc/63/10/40/952631040.db2.gz GPTSDRFAFZOHHJ-QWHCGFSZSA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@@H](C)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141087 952631045 /nfs/dbraw/zinc/63/10/45/952631045.db2.gz GPTSDRFAFZOHHJ-QWHCGFSZSA-N 0 1 378.502 1.634 20 0 GDADMN O=C(N[C@H]1C[C@@H](NCc2ncc(Cl)s2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571141557 952634122 /nfs/dbraw/zinc/63/41/22/952634122.db2.gz IIXTWFKBNMKFTN-DTORHVGOSA-N 0 1 378.849 1.355 20 0 GDADMN CCC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571142805 952645951 /nfs/dbraw/zinc/64/59/51/952645951.db2.gz ZFZPCDREEDSFCM-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CCC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571142805 952645954 /nfs/dbraw/zinc/64/59/54/952645954.db2.gz ZFZPCDREEDSFCM-LBPRGKRZSA-N 0 1 378.502 1.681 20 0 GDADMN CN(C[C@@H]1CCCCN1C(=O)c1cnccn1)c1ccncc1-c1nn[nH]n1 ZINC001571147512 952662356 /nfs/dbraw/zinc/66/23/56/952662356.db2.gz MPCYSQGSNUTGSS-ZDUSSCGKSA-N 0 1 379.428 1.183 20 0 GDADMN Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC34CC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571151780 952679095 /nfs/dbraw/zinc/67/90/95/952679095.db2.gz XGLVLYBZSXNYBR-KPHUOKFYSA-N 0 1 379.468 1.845 20 0 GDADMN Cc1c[nH]nc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571152898 952683600 /nfs/dbraw/zinc/68/36/00/952683600.db2.gz KNPVAXLENSLAFM-SSDOTTSWSA-N 0 1 379.837 1.017 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001571155158 952694026 /nfs/dbraw/zinc/69/40/26/952694026.db2.gz JHZIJEXUIRUOLG-JHJVBQTASA-N 0 1 380.412 1.091 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571156049 952701430 /nfs/dbraw/zinc/70/14/30/952701430.db2.gz BTYKCFSYXKASOZ-LRDDRELGSA-N 0 1 379.428 1.034 20 0 GDADMN Cc1cccnc1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571157103 952705923 /nfs/dbraw/zinc/70/59/23/952705923.db2.gz MKZRPIWQXPOPPP-UHFFFAOYSA-N 0 1 379.428 1.101 20 0 GDADMN O=C(NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnoc1C1CC1 ZINC001571160213 952723802 /nfs/dbraw/zinc/72/38/02/952723802.db2.gz DXRKSSNKZZMRKS-UMSPYCQHSA-N 0 1 380.412 1.170 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)Cc3ccc[nH]3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169545 952774826 /nfs/dbraw/zinc/77/48/26/952774826.db2.gz GNLSURUAVAHPAN-ZFWWWQNUSA-N 0 1 380.456 1.614 20 0 GDADMN Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]1 ZINC001571169731 952778716 /nfs/dbraw/zinc/77/87/16/952778716.db2.gz LJSYPAZGCACRQF-AWEZNQCLSA-N 0 1 380.456 1.914 20 0 GDADMN Cc1c(C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C)ccn1C ZINC001571169907 952780858 /nfs/dbraw/zinc/78/08/58/952780858.db2.gz QGPDNKACUWSMOJ-TZMCWYRMSA-N 0 1 380.456 1.411 20 0 GDADMN Cc1ccn(C)c1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571170582 952787007 /nfs/dbraw/zinc/78/70/07/952787007.db2.gz WSUMVTQTFIDZGW-HZPDHXFCSA-N 0 1 380.456 1.484 20 0 GDADMN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571178959 952851075 /nfs/dbraw/zinc/85/10/75/952851075.db2.gz ZCRCMKVBWHLBIM-SJKOYZFVSA-N 0 1 381.415 1.324 20 0 GDADMN Cc1cc(CC(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)no1 ZINC001571179627 952855437 /nfs/dbraw/zinc/85/54/37/952855437.db2.gz HQQBXJZLOAUITE-UHFFFAOYSA-N 0 1 381.440 1.440 20 0 GDADMN O=C(NCC1CN([C@H]2CCc3ccc(F)cc32)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571182771 952869016 /nfs/dbraw/zinc/86/90/16/952869016.db2.gz FGSVWSMTZODJGN-KRWDZBQOSA-N 0 1 381.415 1.683 20 0 GDADMN O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ncccc1F ZINC001571183035 952872067 /nfs/dbraw/zinc/87/20/67/952872067.db2.gz MJTHKKPJCPHIHW-CYBMUJFWSA-N 0 1 381.415 1.653 20 0 GDADMN CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571183480 952878317 /nfs/dbraw/zinc/87/83/17/952878317.db2.gz BHZXVPWREBFQHD-CYBMUJFWSA-N 0 1 381.444 1.178 20 0 GDADMN CCCc1n[nH]cc1C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571183544 952880047 /nfs/dbraw/zinc/88/00/47/952880047.db2.gz DFSDVNHOKRQXOJ-LBPRGKRZSA-N 0 1 381.444 1.194 20 0 GDADMN C[C@@H](N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C)c1cnccn1 ZINC001571184316 952890500 /nfs/dbraw/zinc/89/05/00/952890500.db2.gz WCLUIUNQNBVPRH-ABAIWWIYSA-N 0 1 381.444 1.186 20 0 GDADMN Cc1nc[nH]c1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571186822 952909175 /nfs/dbraw/zinc/90/91/75/952909175.db2.gz ZZSTXLIERPHSBT-ABAIWWIYSA-N 0 1 381.444 1.068 20 0 GDADMN Cc1n[nH]cc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001571187944 952911290 /nfs/dbraw/zinc/91/12/90/952911290.db2.gz DDOZGDAPUIQWES-YPMHNXCESA-N 0 1 381.444 1.129 20 0 GDADMN Cc1ncc(C(=O)N2C[C@@H](CNc3ccc(-c4nn[nH]n4)c(C)n3)[C@H](C)C2)[nH]1 ZINC001571189238 952926506 /nfs/dbraw/zinc/92/65/06/952926506.db2.gz TVXFMXPUPGMNFM-ZWNOBZJWSA-N 0 1 381.444 1.422 20 0 GDADMN Cc1cc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C)ncn1 ZINC001571189575 952930460 /nfs/dbraw/zinc/93/04/60/952930460.db2.gz XNRBSQNJFHWVEN-QWHCGFSZSA-N 0 1 381.444 1.076 20 0 GDADMN C[C@H]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)CC1 ZINC001571191653 952947070 /nfs/dbraw/zinc/94/70/70/952947070.db2.gz PWJNJVOGHHVNCP-FLTVQCBVSA-N 0 1 381.484 1.886 20 0 GDADMN CCc1nc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)co1 ZINC001571199458 952999393 /nfs/dbraw/zinc/99/93/93/952999393.db2.gz RTPDYHHGIZXGSG-GFCCVEGCSA-N 0 1 382.428 1.471 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571199719 953003797 /nfs/dbraw/zinc/00/37/97/953003797.db2.gz AAXVYKQRRHMUCP-WBMJQRKESA-N 0 1 382.428 1.415 20 0 GDADMN COc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC001571200397 953008800 /nfs/dbraw/zinc/00/88/00/953008800.db2.gz IGUSPBLTJMTNNE-OAHLLOKOSA-N 0 1 382.424 1.863 20 0 GDADMN Cc1ccoc1C(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571200887 953012932 /nfs/dbraw/zinc/01/29/32/953012932.db2.gz HNLVFHWTWPUEEU-OLZOCXBDSA-N 0 1 382.428 1.475 20 0 GDADMN Cc1ccoc1C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571201014 953013855 /nfs/dbraw/zinc/01/38/55/953013855.db2.gz IBLUGIIEMWXZNK-LBPRGKRZSA-N 0 1 382.428 1.593 20 0 GDADMN CC(C)c1nocc1C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571201165 953016695 /nfs/dbraw/zinc/01/66/95/953016695.db2.gz OQLRRVLAKFANEJ-UHFFFAOYSA-N 0 1 382.428 1.416 20 0 GDADMN O=C(N1CCC[C@H](c2nc[nH]n2)C1)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001571201454 953017966 /nfs/dbraw/zinc/01/79/66/953017966.db2.gz QCELGRGMZAESPS-NSHDSACASA-N 0 1 382.403 1.562 20 0 GDADMN Cc1ccoc1CC(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571201788 953020670 /nfs/dbraw/zinc/02/06/70/953020670.db2.gz OGALMPYYJQTTPV-JOCQHMNTSA-N 0 1 382.428 1.062 20 0 GDADMN Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)o1 ZINC001571202296 953024627 /nfs/dbraw/zinc/02/46/27/953024627.db2.gz SVOXNLYGXSUUJO-OLZOCXBDSA-N 0 1 382.428 1.442 20 0 GDADMN Cc1cnoc1C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571202534 953026720 /nfs/dbraw/zinc/02/67/20/953026720.db2.gz UPCLSPIBFVUXFB-CHWSQXEVSA-N 0 1 382.428 1.190 20 0 GDADMN Cc1cnoc1C(=O)N1C[C@@H](C)[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571202802 953028981 /nfs/dbraw/zinc/02/89/81/953028981.db2.gz YXCXUJXNTNAVQH-CHWSQXEVSA-N 0 1 382.428 1.190 20 0 GDADMN O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC12CCOCC2 ZINC001571210845 953075661 /nfs/dbraw/zinc/07/56/61/953075661.db2.gz YCXFNWPWCRVECU-WBVHZDCISA-N 0 1 382.468 1.374 20 0 GDADMN O=C(NC[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC12CCOCC2 ZINC001571210845 953075665 /nfs/dbraw/zinc/07/56/65/953075665.db2.gz YCXFNWPWCRVECU-WBVHZDCISA-N 0 1 382.468 1.374 20 0 GDADMN C[C@]1(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211749 953080361 /nfs/dbraw/zinc/08/03/61/953080361.db2.gz FCIVYARROVUILT-LJPSSGMGSA-N 0 1 382.472 1.568 20 0 GDADMN CC1(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001571214082 953099572 /nfs/dbraw/zinc/09/95/72/953099572.db2.gz WKDSLZNJWPXDEI-KBPBESRZSA-N 0 1 382.472 1.807 20 0 GDADMN CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571214087 953099786 /nfs/dbraw/zinc/09/97/86/953099786.db2.gz WOSMIPCHWOBVNI-KBPBESRZSA-N 0 1 382.472 1.664 20 0 GDADMN O=S(=O)(c1cccc(-c2nn[nH]n2)c1Cl)N1CC[C@H](N2CCCC2)C1 ZINC001571217666 953110105 /nfs/dbraw/zinc/11/01/05/953110105.db2.gz HOQGUZXCGPYGFP-NSHDSACASA-N 0 1 382.877 1.379 20 0 GDADMN Cc1cc(N[C@H]2CCN(C(=O)C3=COCCC3)[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233374 953192439 /nfs/dbraw/zinc/19/24/39/953192439.db2.gz SZTYGCJBZYLTIH-ZFWWWQNUSA-N 0 1 383.456 1.478 20 0 GDADMN Cc1ncc(C(=O)N(C)[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)s1 ZINC001571233800 953196062 /nfs/dbraw/zinc/19/60/62/953196062.db2.gz DKZBDBMTWBUJQR-OAHLLOKOSA-N 0 1 383.481 1.978 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)CCc3ccsc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571234414 953202281 /nfs/dbraw/zinc/20/22/81/953202281.db2.gz WVCGPEULUJGEKP-CQSZACIVSA-N 0 1 383.481 1.699 20 0 GDADMN COc1cccc(OC(F)(F)F)c1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001571234969 953207537 /nfs/dbraw/zinc/20/75/37/953207537.db2.gz OGVZGCHKIVJHTP-UHFFFAOYSA-N 0 1 384.278 1.004 20 0 GDADMN Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]2C)n1 ZINC001571239643 953241100 /nfs/dbraw/zinc/24/11/00/953241100.db2.gz PAFUDXILYPAADL-MEBBXXQBSA-N 0 1 384.419 1.288 20 0 GDADMN O=C(CCN1CC[C@H](F)C1)Nc1cnn(Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001571241489 953246853 /nfs/dbraw/zinc/24/68/53/953246853.db2.gz AWDSXYLDIYWWKZ-HNNXBMFYSA-N 0 1 384.419 1.484 20 0 GDADMN O=C(Cc1ccn[nH]1)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nn[nH]n1 ZINC001571242134 953253205 /nfs/dbraw/zinc/25/32/05/953253205.db2.gz VJQUXGOYXHWSSM-CYBMUJFWSA-N 0 1 384.419 1.765 20 0 GDADMN C[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571244857 953267401 /nfs/dbraw/zinc/26/74/01/953267401.db2.gz KOYQTVUBXXNDAQ-RYUDHWBXSA-N 0 1 384.469 1.216 20 0 GDADMN C[C@H]1CN(C(=O)c2ncccn2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571244857 953267402 /nfs/dbraw/zinc/26/74/02/953267402.db2.gz KOYQTVUBXXNDAQ-RYUDHWBXSA-N 0 1 384.469 1.216 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245163 953270755 /nfs/dbraw/zinc/27/07/55/953270755.db2.gz DUHZAVGRNGFKQO-SMDDNHRTSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001571245430 953273672 /nfs/dbraw/zinc/27/36/72/953273672.db2.gz IGRUGIAATHRQNP-VXGBXAGGSA-N 0 1 384.469 1.347 20 0 GDADMN Cc1nc(CC(=O)N[C@@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cs1 ZINC001571245611 953275148 /nfs/dbraw/zinc/27/51/48/953275148.db2.gz WWPNDTSXJTYFFF-HAQNSBGRSA-N 0 1 384.469 1.059 20 0 GDADMN CN(C[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCCOCC1 ZINC001571247742 953285558 /nfs/dbraw/zinc/28/55/58/953285558.db2.gz DBBVKLXMDZYJKB-RDJZCZTQSA-N 0 1 384.484 1.716 20 0 GDADMN O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cncnc1 ZINC001571247759 953286141 /nfs/dbraw/zinc/28/61/41/953286141.db2.gz DIAQMOAYKXGMFS-QWHCGFSZSA-N 0 1 384.469 1.549 20 0 GDADMN O=C(N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cncnc1 ZINC001571247759 953286145 /nfs/dbraw/zinc/28/61/45/953286145.db2.gz DIAQMOAYKXGMFS-QWHCGFSZSA-N 0 1 384.469 1.549 20 0 GDADMN O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccns1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571248511 953294686 /nfs/dbraw/zinc/29/46/86/953294686.db2.gz WCWFXPCRMPEEJB-YHWZYXNKSA-N 0 1 384.469 1.577 20 0 GDADMN C[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249135 953301333 /nfs/dbraw/zinc/30/13/33/953301333.db2.gz DQVPUKURKKGPMT-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H]1C[C@H](NC(=O)c2cocn2)CCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571254605 953340366 /nfs/dbraw/zinc/34/03/66/953340366.db2.gz HHFVIWMCJBNKQA-BXUZGUMPSA-N 0 1 385.403 1.777 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CC[C@@H]1NC(=O)c1cc(F)c[nH]1 ZINC001571254833 953342933 /nfs/dbraw/zinc/34/29/33/953342933.db2.gz KOUORKSFNIHBBH-LBPRGKRZSA-N 0 1 385.407 1.159 20 0 GDADMN CC(C)C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)[O-] ZINC000424450327 953487942 /nfs/dbraw/zinc/48/79/42/953487942.db2.gz NMFZZXBOGMADSU-ROUUACIJSA-N 0 1 377.485 1.799 20 0 GDADMN COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000571560952 953663480 /nfs/dbraw/zinc/66/34/80/953663480.db2.gz JQWSNBHOAFJZOQ-KBPBESRZSA-N 0 1 377.441 1.277 20 0 GDADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000593291089 953751177 /nfs/dbraw/zinc/75/11/77/953751177.db2.gz XWYWBHJAFOLQET-DGCLKSJQSA-N 0 1 377.397 1.434 20 0 GDADMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000593291089 953751194 /nfs/dbraw/zinc/75/11/94/953751194.db2.gz XWYWBHJAFOLQET-DGCLKSJQSA-N 0 1 377.397 1.434 20 0 GDADMN COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000629500246 953828464 /nfs/dbraw/zinc/82/84/64/953828464.db2.gz HEENKFRSETXAEB-IJEWVQPXSA-N 0 1 378.469 1.794 20 0 GDADMN O=C([O-])C1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCOCC1 ZINC001594863970 954306021 /nfs/dbraw/zinc/30/60/21/954306021.db2.gz YYIUDDJJAHQNTJ-KRWDZBQOSA-N 0 1 376.453 1.141 20 0 GDADMN O=C([O-])C1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CCC1 ZINC000659420283 954344172 /nfs/dbraw/zinc/34/41/72/954344172.db2.gz CKMVWQMVYBIVJM-IAGOWNOFSA-N 0 1 375.469 1.424 20 0 GDADMN C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659785451 954375410 /nfs/dbraw/zinc/37/54/10/954375410.db2.gz LGJYHWNWFHCWOH-IBGZPJMESA-N 0 1 397.475 1.696 20 0 GDADMN C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000659785451 954375420 /nfs/dbraw/zinc/37/54/20/954375420.db2.gz LGJYHWNWFHCWOH-IBGZPJMESA-N 0 1 397.475 1.696 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C)CC2)C1 ZINC000662223509 954392252 /nfs/dbraw/zinc/39/22/52/954392252.db2.gz NVQRAZWOBPJBAK-INIZCTEOSA-N 0 1 395.544 1.916 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C)CC2)C1 ZINC000662223509 954392265 /nfs/dbraw/zinc/39/22/65/954392265.db2.gz NVQRAZWOBPJBAK-INIZCTEOSA-N 0 1 395.544 1.916 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662225246 954395158 /nfs/dbraw/zinc/39/51/58/954395158.db2.gz YTUPWCCHDVMLQJ-MAUKXSAKSA-N 0 1 395.463 1.198 20 0 GDADMN C[N@@H+](CCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)Cc1ccccc1 ZINC001593750269 954396786 /nfs/dbraw/zinc/39/67/86/954396786.db2.gz FJMBLFGDCPASSS-KRWDZBQOSA-N 0 1 390.484 1.273 20 0 GDADMN C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001589400676 954423794 /nfs/dbraw/zinc/42/37/94/954423794.db2.gz RZLDOFDBRJBWSJ-JTQLQIEISA-N 0 1 386.246 1.678 20 0 GDADMN C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001589400676 954423799 /nfs/dbraw/zinc/42/37/99/954423799.db2.gz RZLDOFDBRJBWSJ-JTQLQIEISA-N 0 1 386.246 1.678 20 0 GDADMN O=C([O-])C1CCC(O)(C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)CC1 ZINC001594911729 954709643 /nfs/dbraw/zinc/70/96/43/954709643.db2.gz DPCQLTSMRWITIP-HTLISINNSA-N 0 1 399.431 1.434 20 0 GDADMN O=C([O-])C1CCC(O)(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC001594912545 954716871 /nfs/dbraw/zinc/71/68/71/954716871.db2.gz YGLYGDSSYVYQKO-LUJDSPJVSA-N 0 1 382.501 1.124 20 0 GDADMN O=C([O-])[C@H]1C[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)Cc2ccccc21 ZINC001594953148 954964892 /nfs/dbraw/zinc/96/48/92/954964892.db2.gz BOIODVSCTYWIFL-WMZOPIPTSA-N 0 1 395.415 1.548 20 0 GDADMN COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H]3C[C@@H](C)C[N@H+]3C1)C[C@@H]2C(=O)[O-] ZINC001593820315 955028234 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/nfs/dbraw/zinc/85/14/50/531851450.db2.gz VCJVHQYTEVFTRM-ZJUUUORDSA-N 0 1 383.499 1.373 20 0 GDADMN CCc1n[nH]c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000298106396 531851454 /nfs/dbraw/zinc/85/14/54/531851454.db2.gz VCJVHQYTEVFTRM-ZJUUUORDSA-N 0 1 383.499 1.373 20 0 GDADMN COCCN(C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000283207685 531840527 /nfs/dbraw/zinc/84/05/27/531840527.db2.gz BIEZXKWEHIUPBP-NSHDSACASA-N 0 1 376.284 1.865 20 0 GDADMN CC(C)[C@H]1CN(S(=O)(=O)c2cnn3cc(Br)cnc23)CCN1 ZINC000641621126 531842657 /nfs/dbraw/zinc/84/26/57/531842657.db2.gz CPEXFPJMCXVPKA-LLVKDONJSA-N 0 1 388.291 1.110 20 0 GDADMN CCC[C@@H]1CNCCN1C(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000418865327 531857066 /nfs/dbraw/zinc/85/70/66/531857066.db2.gz LBYAAHBSKGVJAD-WCQYABFASA-N 0 1 383.290 1.622 20 0 GDADMN COC(=O)[C@@]1(NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CCSC1 ZINC000270403767 531865108 /nfs/dbraw/zinc/86/51/08/531865108.db2.gz DCHHRQNTMCNNEY-MRXNPFEDSA-N 0 1 379.463 1.001 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C)Cc1ccon1 ZINC000270449053 531871299 /nfs/dbraw/zinc/87/12/99/531871299.db2.gz AKQNEKFSJKTHED-UHFFFAOYSA-N 0 1 389.455 1.266 20 0 GDADMN O=C(NCCOc1cccc(Br)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000418953260 531872116 /nfs/dbraw/zinc/87/21/16/531872116.db2.gz RIBPWWGQRSRVPP-OKILXGFUSA-N 0 1 396.285 1.297 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C ZINC000270452697 531873385 /nfs/dbraw/zinc/87/33/85/531873385.db2.gz BLTHVHBGACXPAJ-NEPJUHHUSA-N 0 1 376.500 1.876 20 0 GDADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(Cc2ccc(Br)c3cccnc23)C[C@H]1O ZINC000455624361 531874160 /nfs/dbraw/zinc/87/41/60/531874160.db2.gz CFVYSBBARNZZKK-LSDHHAIUSA-N 0 1 394.269 1.559 20 0 GDADMN CN(Cc1n[nH]c(=O)o1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000673479944 531879201 /nfs/dbraw/zinc/87/92/01/531879201.db2.gz DXVXQBFSXLIOBH-SECBINFHSA-N 0 1 395.213 1.549 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000270491109 531879351 /nfs/dbraw/zinc/87/93/51/531879351.db2.gz KCOTYRRVAQMPFY-CHWSQXEVSA-N 0 1 388.511 1.877 20 0 GDADMN C[C@H]1CN(CCCNS(=O)(=O)CCc2c(F)cccc2F)CCCO1 ZINC000625157881 531882919 /nfs/dbraw/zinc/88/29/19/531882919.db2.gz RSCIHAVGPDGQGD-AWEZNQCLSA-N 0 1 376.469 1.928 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCCSCC1 ZINC000270508213 531883138 /nfs/dbraw/zinc/88/31/38/531883138.db2.gz OAWVGBVSVJHJJY-UHFFFAOYSA-N 0 1 394.540 1.584 20 0 GDADMN Cc1oc(Br)cc1C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000567586942 531898395 /nfs/dbraw/zinc/89/83/95/531898395.db2.gz MKYNJEYICQLNGI-GFCCVEGCSA-N 0 1 384.274 1.635 20 0 GDADMN CCc1nc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000270591308 531899384 /nfs/dbraw/zinc/89/93/84/531899384.db2.gz BOQZVGWLANJPRZ-JTQLQIEISA-N 0 1 385.877 1.518 20 0 GDADMN CC[C@H](NC(=O)C(=O)N1C[C@@H](C)N[C@@H](C)C1)c1nc(C(F)(F)F)cs1 ZINC000419044688 531890077 /nfs/dbraw/zinc/89/00/77/531890077.db2.gz QPWXVGKJKFNFAT-AEJSXWLSSA-N 0 1 378.420 1.938 20 0 GDADMN CC(C)OCCN1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000647965907 531906238 /nfs/dbraw/zinc/90/62/38/531906238.db2.gz SYPLPSILIGNEKA-UHFFFAOYSA-N 0 1 375.922 1.530 20 0 GDADMN CC[C@H]1CN(CC)CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000456343075 531907769 /nfs/dbraw/zinc/90/77/69/531907769.db2.gz GIZQYKYDKGWFOW-NSHDSACASA-N 0 1 379.935 1.623 20 0 GDADMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000456377494 531909993 /nfs/dbraw/zinc/90/99/93/531909993.db2.gz LOAMWLHOGVRVPE-CYBMUJFWSA-N 0 1 393.289 1.981 20 0 GDADMN NC(=O)[C@H]1CCCN1CCCNC(=O)COc1ccccc1Br ZINC000270696481 531911120 /nfs/dbraw/zinc/91/11/20/531911120.db2.gz YDFNXFHRSJBVJR-CYBMUJFWSA-N 0 1 384.274 1.284 20 0 GDADMN NC(=O)c1c(F)cc(Br)cc1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000678310748 531919111 /nfs/dbraw/zinc/91/91/11/531919111.db2.gz NUUUMWCQOATIKY-TZMCWYRMSA-N 0 1 386.265 1.723 20 0 GDADMN COc1ccc(COC[C@@H](O)CNCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000569081611 531919584 /nfs/dbraw/zinc/91/95/84/531919584.db2.gz HSBCEPUBUJUYET-AWEZNQCLSA-N 0 1 385.507 1.828 20 0 GDADMN C[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)[C@H](C)CN1CCO ZINC000419328523 531924563 /nfs/dbraw/zinc/92/45/63/531924563.db2.gz OYCBNMCNFQTUER-HUUCEWRRSA-N 0 1 398.345 1.794 20 0 GDADMN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419340395 531926195 /nfs/dbraw/zinc/92/61/95/531926195.db2.gz WTTHFXKPNJXIDV-WDEREUQCSA-N 0 1 380.901 1.817 20 0 GDADMN Cc1ccc(Br)c(S(=O)(=O)NCC2(O)CCN(C)CC2)c1 ZINC000270823185 531926505 /nfs/dbraw/zinc/92/65/05/531926505.db2.gz OWLCYGOZJFPWHO-UHFFFAOYSA-N 0 1 377.304 1.493 20 0 GDADMN COC[C@H](C)OC[C@H](O)CN1CCN(c2cccc(Br)c2)CC1 ZINC000283962244 531914562 /nfs/dbraw/zinc/91/45/62/531914562.db2.gz CBIFDWYQBHRVDC-WMLDXEAASA-N 0 1 387.318 1.984 20 0 GDADMN CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1C ZINC000677181891 531916007 /nfs/dbraw/zinc/91/60/07/531916007.db2.gz DHHHVHQEPYVCIH-GFCCVEGCSA-N 0 1 375.441 1.186 20 0 GDADMN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CCc1nc[nH]n1 ZINC000456710621 531929031 /nfs/dbraw/zinc/92/90/31/531929031.db2.gz GIOVTXPIUKNDLC-LBPRGKRZSA-N 0 1 381.274 1.776 20 0 GDADMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCN1C ZINC000270876095 531935503 /nfs/dbraw/zinc/93/55/03/531935503.db2.gz BZFMCPJACPIWFI-YPMHNXCESA-N 0 1 389.905 1.307 20 0 GDADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCCC1(O)CCC1 ZINC000284150054 531935775 /nfs/dbraw/zinc/93/57/75/531935775.db2.gz ZGGZYMTVOVXEDM-UHFFFAOYSA-N 0 1 392.499 1.040 20 0 GDADMN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)C[C@@H](C)N1 ZINC000419588378 531938378 /nfs/dbraw/zinc/93/83/78/531938378.db2.gz OVIURGUEKWTXJD-UEKVPHQBSA-N 0 1 380.286 1.761 20 0 GDADMN COc1nccc(CNC[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000569803972 531928391 /nfs/dbraw/zinc/92/83/91/531928391.db2.gz HGAGBGQBHDWJOA-CYBMUJFWSA-N 0 1 386.221 1.916 20 0 GDADMN O=C(CN1CCC[C@H](c2n[nH]c(=O)o2)C1)Nc1ccccc1Br ZINC000284248587 531943613 /nfs/dbraw/zinc/94/36/13/531943613.db2.gz LGRQBMYGACYYTM-JTQLQIEISA-N 0 1 381.230 1.944 20 0 GDADMN CC1(C)CCC[N@H+]1CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000457077281 531944442 /nfs/dbraw/zinc/94/44/42/531944442.db2.gz PBKGWVMAPJKYRJ-UHFFFAOYSA-N 0 1 375.441 1.234 20 0 GDADMN CN(C)S(=O)(=O)CC[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000570975599 531945489 /nfs/dbraw/zinc/94/54/89/531945489.db2.gz IFKFRALJJUTIPJ-UHFFFAOYSA-N 0 1 393.303 1.617 20 0 GDADMN CN(C)S(=O)(=O)CC[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000570975599 531945492 /nfs/dbraw/zinc/94/54/92/531945492.db2.gz IFKFRALJJUTIPJ-UHFFFAOYSA-N 0 1 393.303 1.617 20 0 GDADMN C[C@H](CC(=O)N1CCN(Cc2nnc[nH]2)CC1)n1cc(Br)cn1 ZINC000652899056 531950781 /nfs/dbraw/zinc/95/07/81/531950781.db2.gz QTSGJENAZCZQNI-LLVKDONJSA-N 0 1 382.266 1.059 20 0 GDADMN C[S@](=O)C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000571245264 531951462 /nfs/dbraw/zinc/95/14/62/531951462.db2.gz QYHNBWQGFMNWJO-MYYSRTQBSA-N 0 1 377.491 1.718 20 0 GDADMN COC(=O)c1coc(CNCCNC(=O)c2ccc(Br)cn2)c1 ZINC000597179895 531939802 /nfs/dbraw/zinc/93/98/02/531939802.db2.gz MYYZMIRYSPTEKY-UHFFFAOYSA-N 0 1 382.214 1.743 20 0 GDADMN C[C@@H](CN1CCOCC1)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000270908934 531939934 /nfs/dbraw/zinc/93/99/34/531939934.db2.gz GVSJQCGTGGURLS-ZDUSSCGKSA-N 0 1 398.301 1.862 20 0 GDADMN CCSC1(CNC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000597207901 531939975 /nfs/dbraw/zinc/93/99/75/531939975.db2.gz IMRXMHZBDNGKBR-UHFFFAOYSA-N 0 1 385.599 1.866 20 0 GDADMN Cc1cc(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)n[nH]1 ZINC000684392207 531940517 /nfs/dbraw/zinc/94/05/17/531940517.db2.gz WGZGHMFUYIKNGS-CQSZACIVSA-N 0 1 392.257 1.863 20 0 GDADMN Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655230951 531966731 /nfs/dbraw/zinc/96/67/31/531966731.db2.gz UJOMGNJSAVGJFX-SNVBAGLBSA-N 0 1 382.218 1.758 20 0 GDADMN COCc1nc(CNC(=O)c2ccc(I)c(F)c2)n[nH]1 ZINC000598051565 531967579 /nfs/dbraw/zinc/96/75/79/531967579.db2.gz WEQTXLNPWHYRHJ-UHFFFAOYSA-N 0 1 390.156 1.625 20 0 GDADMN COCc1nnc(CNC(=O)c2ccc(I)c(F)c2)[nH]1 ZINC000598051565 531967586 /nfs/dbraw/zinc/96/75/86/531967586.db2.gz WEQTXLNPWHYRHJ-UHFFFAOYSA-N 0 1 390.156 1.625 20 0 GDADMN COC(=O)[C@H](NC(=O)[C@H](C)CN1CCOCC1)c1ccccc1Br ZINC000598185906 531972484 /nfs/dbraw/zinc/97/24/84/531972484.db2.gz QJKFXPPHPDFAPL-IUODEOHRSA-N 0 1 399.285 1.748 20 0 GDADMN C[C@@H](O)C1(NC(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 ZINC000598386014 531977735 /nfs/dbraw/zinc/97/77/35/531977735.db2.gz ZNOQGBZYLCMEAK-MRVPVSSYSA-N 0 1 398.200 1.776 20 0 GDADMN Cn1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CCC[C@@H]2C2CC2)n1 ZINC000656387792 531978653 /nfs/dbraw/zinc/97/86/53/531978653.db2.gz GGINTNRIXYYVTD-CQSZACIVSA-N 0 1 390.531 1.146 20 0 GDADMN CC(=O)N1CC[C@@H](NCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573914111 531993137 /nfs/dbraw/zinc/99/31/37/531993137.db2.gz RLPLHJXAAQBKSV-CYBMUJFWSA-N 0 1 375.288 1.433 20 0 GDADMN O=C(Nc1nc2ccc(I)cc2[nH]1)[C@@H]1CCNC(=O)C1 ZINC000598422615 531980963 /nfs/dbraw/zinc/98/09/63/531980963.db2.gz HEAVXRVKQBGJGR-SSDOTTSWSA-N 0 1 384.177 1.632 20 0 GDADMN O=C(CN1CCCC1=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000598422342 531981058 /nfs/dbraw/zinc/98/10/58/531981058.db2.gz BFKLEEMJJHTUEY-UHFFFAOYSA-N 0 1 384.177 1.728 20 0 GDADMN CO[C@H](CS(=O)(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CCOC1 ZINC000656930858 531981528 /nfs/dbraw/zinc/98/15/28/531981528.db2.gz LEOSTARREMDWRP-GOEBONIOSA-N 0 1 376.544 1.493 20 0 GDADMN COC[C@@H](OC)C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000598428526 531982021 /nfs/dbraw/zinc/98/20/21/531982021.db2.gz QPXJCVMDXMTYIJ-SNVBAGLBSA-N 0 1 375.166 1.767 20 0 GDADMN CCCNC(=O)CN(C)C(=O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000284750636 531986808 /nfs/dbraw/zinc/98/68/08/531986808.db2.gz LLTCGGMHUHTSLX-KRWDZBQOSA-N 0 1 397.317 1.869 20 0 GDADMN CCOc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CCC1CC1 ZINC000271240862 531988308 /nfs/dbraw/zinc/98/83/08/531988308.db2.gz DMIVPGXMKOTMRS-UHFFFAOYSA-N 0 1 376.500 1.877 20 0 GDADMN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCCc2nc[nH]n2)s1 ZINC000271241447 531989150 /nfs/dbraw/zinc/98/91/50/531989150.db2.gz DQPMYXDBHWJKOO-UHFFFAOYSA-N 0 1 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ZINC000737844957 598262339 /nfs/dbraw/zinc/26/23/39/598262339.db2.gz XFVWERXGVQZXFJ-GFCCVEGCSA-N 0 1 390.513 1.982 20 0 GDADMN Cc1nc(-c2nn[nH]n2)c(NNC(=S)NCCCN(C)c2ccccc2)o1 ZINC000737468098 598322420 /nfs/dbraw/zinc/32/24/20/598322420.db2.gz YTWXBOXXFCJGOC-UHFFFAOYSA-N 0 1 387.473 1.481 20 0 GDADMN Cc1cc2c[nH]nc2c(C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000737233488 598330278 /nfs/dbraw/zinc/33/02/78/598330278.db2.gz GLSMBDRXWBBVRK-UHFFFAOYSA-N 0 1 389.423 1.409 20 0 GDADMN Cc1nccn1-c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000737503648 598333815 /nfs/dbraw/zinc/33/38/15/598333815.db2.gz WQPVSLYSMCMBFP-UHFFFAOYSA-N 0 1 382.409 1.557 20 0 GDADMN COCCN1CCC[C@H](NC(=O)CSc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737006310 598363491 /nfs/dbraw/zinc/36/34/91/598363491.db2.gz FQVMLBPDCIXHCZ-AWEZNQCLSA-N 0 1 376.486 1.186 20 0 GDADMN Cc1cnn(CC2CCN(CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737442375 598368070 /nfs/dbraw/zinc/36/80/70/598368070.db2.gz FBESWDQFUVEDCQ-UHFFFAOYSA-N 0 1 394.483 1.400 20 0 GDADMN [O-]C(=Cc1csc(Cc2ccccc2)n1)[NH+]=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737978259 598380632 /nfs/dbraw/zinc/38/06/32/598380632.db2.gz QVIBPMYHZLWXPG-UHFFFAOYSA-N 0 1 377.433 1.912 20 0 GDADMN Cc1nc(SCC(=O)N[C@@H]2CCN(C3CC3)C2)c(-c2nn[nH]n2)c(C)c1C ZINC000737485051 598462221 /nfs/dbraw/zinc/46/22/21/598462221.db2.gz YQPQXEJDBPVSBB-CYBMUJFWSA-N 0 1 387.513 1.632 20 0 GDADMN c1nn2cc(C[NH2+]CCCN3CCc4ccccc43)cnc2c1-c1nnn[n-]1 ZINC000738443031 598494243 /nfs/dbraw/zinc/49/42/43/598494243.db2.gz UKCSMMRFHABOIW-UHFFFAOYSA-N 0 1 375.440 1.452 20 0 GDADMN c1nn2cc(C[NH2+]CCCN3CCc4ccccc43)cnc2c1-c1nn[n-]n1 ZINC000738443031 598494245 /nfs/dbraw/zinc/49/42/45/598494245.db2.gz UKCSMMRFHABOIW-UHFFFAOYSA-N 0 1 375.440 1.452 20 0 GDADMN COc1ccc(COCCN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000737098651 598504057 /nfs/dbraw/zinc/50/40/57/598504057.db2.gz WQVATZAYDCFSEW-UHFFFAOYSA-N 0 1 395.467 1.609 20 0 GDADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000737486795 598505967 /nfs/dbraw/zinc/50/59/67/598505967.db2.gz FDLLJGPLLRFLHC-AWEZNQCLSA-N 0 1 397.487 1.011 20 0 GDADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000737486795 598505969 /nfs/dbraw/zinc/50/59/69/598505969.db2.gz FDLLJGPLLRFLHC-AWEZNQCLSA-N 0 1 397.487 1.011 20 0 GDADMN Cc1cc(C)c(NC(=O)C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c(C)c1 ZINC000737246641 598517788 /nfs/dbraw/zinc/51/77/88/598517788.db2.gz NMPVPONSARDMOW-CQSZACIVSA-N 0 1 395.471 1.258 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1-c1nnn[n-]1 ZINC000737186111 598530261 /nfs/dbraw/zinc/53/02/61/598530261.db2.gz HDASFVFNNUDIJZ-UHFFFAOYSA-N 0 1 377.474 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1-c1nn[n-]n1 ZINC000737186111 598530263 /nfs/dbraw/zinc/53/02/63/598530263.db2.gz HDASFVFNNUDIJZ-UHFFFAOYSA-N 0 1 377.474 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1-c1nn[n-]n1 ZINC000737186111 598530265 /nfs/dbraw/zinc/53/02/65/598530265.db2.gz HDASFVFNNUDIJZ-UHFFFAOYSA-N 0 1 377.474 1.246 20 0 GDADMN O=c1cc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]c2ccnn21 ZINC000738381109 598539974 /nfs/dbraw/zinc/53/99/74/598539974.db2.gz UOICXYVFYJHYHM-UHFFFAOYSA-N 0 1 392.423 1.246 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000737200376 598613925 /nfs/dbraw/zinc/61/39/25/598613925.db2.gz LXRMTIVLAQDVIE-HOTGVXAUSA-N 0 1 399.499 1.602 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000737200376 598613926 /nfs/dbraw/zinc/61/39/26/598613926.db2.gz LXRMTIVLAQDVIE-HOTGVXAUSA-N 0 1 399.499 1.602 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000737200376 598613927 /nfs/dbraw/zinc/61/39/27/598613927.db2.gz LXRMTIVLAQDVIE-HOTGVXAUSA-N 0 1 399.499 1.602 20 0 GDADMN CN(C)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)C1 ZINC000736757385 598614433 /nfs/dbraw/zinc/61/44/33/598614433.db2.gz RSJRNMMQEDBZQA-JTQLQIEISA-N 0 1 390.391 1.210 20 0 GDADMN C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736235993 598701934 /nfs/dbraw/zinc/70/19/34/598701934.db2.gz FHWNTQJUSDVXCW-UWVGGRQHSA-N 0 1 377.836 1.044 20 0 GDADMN Cn1cnc2c1CCN(CCC(=O)Nc1sc3c(c1-c1nn[nH]n1)CCC3)C2 ZINC000737618720 598710057 /nfs/dbraw/zinc/71/00/57/598710057.db2.gz KJJUPFPUKODCSF-UHFFFAOYSA-N 0 1 398.496 1.537 20 0 GDADMN Cc1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Br)ccc32)n1 ZINC000737544751 598723125 /nfs/dbraw/zinc/72/31/25/598723125.db2.gz AEWQKBPJYFZRKQ-UHFFFAOYSA-N 0 1 388.185 1.684 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)Nc2ccc(C(N)=O)c(C)c2)cc1-c1nn[nH]n1 ZINC000737188041 598777878 /nfs/dbraw/zinc/77/78/78/598777878.db2.gz WMRQORLPDSCCKL-UHFFFAOYSA-N 0 1 385.409 1.349 20 0 GDADMN CN(CC(=O)NCc1cccs1)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736784065 598795138 /nfs/dbraw/zinc/79/51/38/598795138.db2.gz OWYSNBHJHPGAMB-UHFFFAOYSA-N 0 1 381.465 1.929 20 0 GDADMN CSc1n[nH]c(NC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[nH]n2)n1 ZINC000737188634 598820453 /nfs/dbraw/zinc/82/04/53/598820453.db2.gz CUQKWYCLIAPWNU-UHFFFAOYSA-N 0 1 391.486 1.758 20 0 GDADMN O=C(CCN1CCN(c2ccccn2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000468774786 599319514 /nfs/dbraw/zinc/31/95/14/599319514.db2.gz AYKPKMURDNGBMO-UHFFFAOYSA-N 0 1 392.467 1.090 20 0 GDADMN CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821188671 599322911 /nfs/dbraw/zinc/32/29/11/599322911.db2.gz BNXCBQFNAUJTDJ-UHFFFAOYSA-N 0 1 379.490 1.004 20 0 GDADMN CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821188671 599322914 /nfs/dbraw/zinc/32/29/14/599322914.db2.gz BNXCBQFNAUJTDJ-UHFFFAOYSA-N 0 1 379.490 1.004 20 0 GDADMN O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000823607174 599345482 /nfs/dbraw/zinc/34/54/82/599345482.db2.gz RLBBWQCSNILUHY-CYBMUJFWSA-N 0 1 394.476 1.645 20 0 GDADMN O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000823607174 599345483 /nfs/dbraw/zinc/34/54/83/599345483.db2.gz RLBBWQCSNILUHY-CYBMUJFWSA-N 0 1 394.476 1.645 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000821970830 599410693 /nfs/dbraw/zinc/41/06/93/599410693.db2.gz SXMDBVYXXJKSKG-ZJUUUORDSA-N 0 1 377.474 1.244 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000821970830 599410696 /nfs/dbraw/zinc/41/06/96/599410696.db2.gz SXMDBVYXXJKSKG-ZJUUUORDSA-N 0 1 377.474 1.244 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000821970830 599410698 /nfs/dbraw/zinc/41/06/98/599410698.db2.gz SXMDBVYXXJKSKG-ZJUUUORDSA-N 0 1 377.474 1.244 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CCc2cccn2C)cc1-c1nn[nH]n1 ZINC000821971106 599486519 /nfs/dbraw/zinc/48/65/19/599486519.db2.gz XWHOGUIGYFVDEL-JTQLQIEISA-N 0 1 387.469 1.779 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)CCC(C)C)cc1-c1nn[nH]n1 ZINC000821976779 599489056 /nfs/dbraw/zinc/48/90/56/599489056.db2.gz DCZQUSQRRKYWEK-MRXNPFEDSA-N 0 1 380.474 1.606 20 0 GDADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1 ZINC000821088763 599546398 /nfs/dbraw/zinc/54/63/98/599546398.db2.gz VAZSDORXJWVUJM-NSHDSACASA-N 0 1 391.501 1.493 20 0 GDADMN CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821088763 599546399 /nfs/dbraw/zinc/54/63/99/599546399.db2.gz VAZSDORXJWVUJM-NSHDSACASA-N 0 1 391.501 1.493 20 0 GDADMN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821088763 599546401 /nfs/dbraw/zinc/54/64/01/599546401.db2.gz VAZSDORXJWVUJM-NSHDSACASA-N 0 1 391.501 1.493 20 0 GDADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1 ZINC000821088762 599546468 /nfs/dbraw/zinc/54/64/68/599546468.db2.gz VAZSDORXJWVUJM-LLVKDONJSA-N 0 1 391.501 1.493 20 0 GDADMN CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821088762 599546471 /nfs/dbraw/zinc/54/64/71/599546471.db2.gz VAZSDORXJWVUJM-LLVKDONJSA-N 0 1 391.501 1.493 20 0 GDADMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821088762 599546474 /nfs/dbraw/zinc/54/64/74/599546474.db2.gz VAZSDORXJWVUJM-LLVKDONJSA-N 0 1 391.501 1.493 20 0 GDADMN COC(=O)CCN(Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)CC(C)C ZINC000821661661 599570150 /nfs/dbraw/zinc/57/01/50/599570150.db2.gz SPUYFBWNHQEJQY-UHFFFAOYSA-N 0 1 385.428 1.938 20 0 GDADMN CC[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CCN1CCOC ZINC000820994357 599574290 /nfs/dbraw/zinc/57/42/90/599574290.db2.gz HCMDIJJBVSFHRO-INIZCTEOSA-N 0 1 398.471 1.459 20 0 GDADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCCC[C@H]1CN1CCOCC1 ZINC000819876901 599586017 /nfs/dbraw/zinc/58/60/17/599586017.db2.gz JYIRTVUNAVULBQ-CVEARBPZSA-N 0 1 399.499 1.380 20 0 GDADMN COc1ccccc1[C@H]1CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737146096 599592423 /nfs/dbraw/zinc/59/24/23/599592423.db2.gz FPCZVLZBBIBHAO-YJBOKZPZSA-N 0 1 378.436 1.891 20 0 GDADMN CN(CC(=O)NCc1ccccc1)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000736782937 599592780 /nfs/dbraw/zinc/59/27/80/599592780.db2.gz FUXCEQCRXKSSCL-UHFFFAOYSA-N 0 1 375.436 1.868 20 0 GDADMN COc1ccccc1[C@@H]1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737146160 599592810 /nfs/dbraw/zinc/59/28/10/599592810.db2.gz GWIIXVPBHPSPGA-QGZVFWFLSA-N 0 1 392.463 1.981 20 0 GDADMN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)c1-c1nn[nH]n1 ZINC000822319469 599596758 /nfs/dbraw/zinc/59/67/58/599596758.db2.gz SYAOLOMCTQLNIQ-INIZCTEOSA-N 0 1 393.451 1.533 20 0 GDADMN CCc1cc(CNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000736675352 599602768 /nfs/dbraw/zinc/60/27/68/599602768.db2.gz JYZHSGAWVGBSKK-UHFFFAOYSA-N 0 1 381.444 1.184 20 0 GDADMN C[C@@H](C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)N(C)Cc1ccccc1 ZINC000819856663 599696221 /nfs/dbraw/zinc/69/62/21/599696221.db2.gz KCMXVKAPGLUMAG-AWEZNQCLSA-N 0 1 380.456 1.310 20 0 GDADMN C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736760764 599712372 /nfs/dbraw/zinc/71/23/72/599712372.db2.gz DTEDRVZWANKJHG-QWRGUYRKSA-N 0 1 379.482 1.849 20 0 GDADMN C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736760764 599712373 /nfs/dbraw/zinc/71/23/73/599712373.db2.gz DTEDRVZWANKJHG-QWRGUYRKSA-N 0 1 379.482 1.849 20 0 GDADMN CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000737370378 599715177 /nfs/dbraw/zinc/71/51/77/599715177.db2.gz PRARXVYGUQYBAF-UHFFFAOYSA-N 0 1 377.894 1.152 20 0 GDADMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc(OCC(N)=O)cc1 ZINC000736826291 599715711 /nfs/dbraw/zinc/71/57/11/599715711.db2.gz VETXKPCGJGJIJG-HNNXBMFYSA-N 0 1 383.448 1.960 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccccc2)CC1=O ZINC000737117155 599859623 /nfs/dbraw/zinc/85/96/23/599859623.db2.gz XNTUGLABLMPAFO-RCCFBDPRSA-N 0 1 387.480 1.651 20 0 GDADMN O=C([O-])[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000676213320 599940508 /nfs/dbraw/zinc/94/05/08/599940508.db2.gz LGSRBDVVTLIUEO-YOEHRIQHSA-N 0 1 386.370 1.753 20 0 GDADMN 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/nfs/dbraw/zinc/69/99/04/606699904.db2.gz KZESGSSELWXXDR-UHFFFAOYSA-N 0 1 398.471 1.838 20 0 GDADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)o1 ZINC000821669717 606712700 /nfs/dbraw/zinc/71/27/00/606712700.db2.gz ZMEHAPZPISRVAP-UHFFFAOYSA-N 0 1 383.773 1.701 20 0 GDADMN Cc1sc(NC(=O)CN2CCC[C@@H]3COCC[C@@H]32)c(-c2nn[nH]n2)c1C ZINC000822559230 606773977 /nfs/dbraw/zinc/77/39/77/606773977.db2.gz YXRMZNKBVVWMHY-OLZOCXBDSA-N 0 1 376.486 1.984 20 0 GDADMN C[C@@H](CN1CCCN(c2ccccc2-c2nn[nH]n2)CC1)CS(C)(=O)=O ZINC000820262109 606878728 /nfs/dbraw/zinc/87/87/28/606878728.db2.gz SDTJSHRLJOASIA-AWEZNQCLSA-N 0 1 378.502 1.060 20 0 GDADMN COc1ccc(C)cc1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821782154 606884654 /nfs/dbraw/zinc/88/46/54/606884654.db2.gz AVMNWEVFCKVEAY-UHFFFAOYSA-N 0 1 395.391 1.940 20 0 GDADMN Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822709970 606887034 /nfs/dbraw/zinc/88/70/34/606887034.db2.gz SRLPLIQSGRXXTI-LBPRGKRZSA-N 0 1 395.395 1.234 20 0 GDADMN CC[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821254345 606888089 /nfs/dbraw/zinc/88/80/89/606888089.db2.gz LFYZWJPGSUESHI-JTQLQIEISA-N 0 1 386.428 1.155 20 0 GDADMN Cc1ccc(CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cn1 ZINC000822236128 606890401 /nfs/dbraw/zinc/89/04/01/606890401.db2.gz KWNASAXRTJIVTC-UHFFFAOYSA-N 0 1 380.380 1.369 20 0 GDADMN CCOC(=O)C1(O)CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821321554 606908453 /nfs/dbraw/zinc/90/84/53/606908453.db2.gz ZZRKZPCTDVNCBY-UHFFFAOYSA-N 0 1 375.429 1.026 20 0 GDADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000821600469 606928484 /nfs/dbraw/zinc/92/84/84/606928484.db2.gz NVBXJZUVKLTSRV-IAGOWNOFSA-N 0 1 393.513 1.923 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822004132 607073440 /nfs/dbraw/zinc/07/34/40/607073440.db2.gz AZVOYGIXZICNEK-GDBMZVCRSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000822004132 607073441 /nfs/dbraw/zinc/07/34/41/607073441.db2.gz AZVOYGIXZICNEK-GDBMZVCRSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000822004132 607073443 /nfs/dbraw/zinc/07/34/43/607073443.db2.gz AZVOYGIXZICNEK-GDBMZVCRSA-N 0 1 399.499 1.459 20 0 GDADMN C[C@@H](Cc1ccc(O)cc1)N(C)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000820299779 607077795 /nfs/dbraw/zinc/07/77/95/607077795.db2.gz KDNSANAYBXEIQZ-AWEZNQCLSA-N 0 1 380.452 1.752 20 0 GDADMN O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1)OCCCF ZINC000823060493 607112619 /nfs/dbraw/zinc/11/26/19/607112619.db2.gz DVOXDLSYFOTWNP-UHFFFAOYSA-N 0 1 381.311 1.981 20 0 GDADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822006114 607193585 /nfs/dbraw/zinc/19/35/85/607193585.db2.gz XZYOUBSYUFHAQC-HOCLYGCPSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000822006114 607193586 /nfs/dbraw/zinc/19/35/86/607193586.db2.gz XZYOUBSYUFHAQC-HOCLYGCPSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000822006114 607193587 /nfs/dbraw/zinc/19/35/87/607193587.db2.gz XZYOUBSYUFHAQC-HOCLYGCPSA-N 0 1 399.499 1.459 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000823126904 607206110 /nfs/dbraw/zinc/20/61/10/607206110.db2.gz NFHCTCHSGGOBMM-JTQLQIEISA-N 0 1 376.833 1.465 20 0 GDADMN CC[C@H](C)[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc2ccccc2[nH]1 ZINC000820859473 607208932 /nfs/dbraw/zinc/20/89/32/607208932.db2.gz DZABNUGTAGSSJY-IINYFYTJSA-N 0 1 380.416 1.238 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000823123199 607209186 /nfs/dbraw/zinc/20/91/86/607209186.db2.gz RQBPGXXKFBDQNK-SNVBAGLBSA-N 0 1 390.810 1.484 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000823136176 607211089 /nfs/dbraw/zinc/21/10/89/607211089.db2.gz NJEXJCPWFMKMDU-LBPRGKRZSA-N 0 1 384.400 1.045 20 0 GDADMN CN(CCCc1cc(-c2ccccc2)no1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821600182 607212558 /nfs/dbraw/zinc/21/25/58/607212558.db2.gz BANIHUVPQMUXCY-UHFFFAOYSA-N 0 1 393.411 1.204 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(OCc2cscn2)c1 ZINC000823136218 607213246 /nfs/dbraw/zinc/21/32/46/607213246.db2.gz OVJLZXKHHJUJTC-UHFFFAOYSA-N 0 1 383.397 1.132 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000823126980 607213880 /nfs/dbraw/zinc/21/38/80/607213880.db2.gz PTXHXJADOCAAKX-UHFFFAOYSA-N 0 1 392.345 1.325 20 0 GDADMN CCc1ccc(-c2csc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)s1 ZINC000821476349 607214857 /nfs/dbraw/zinc/21/48/57/607214857.db2.gz MWDXUYTZYQQASD-UHFFFAOYSA-N 0 1 387.454 1.844 20 0 GDADMN Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1NC(=O)C(C)(C)C ZINC000822248696 607216047 /nfs/dbraw/zinc/21/60/47/607216047.db2.gz JATYDYZXURVSST-UHFFFAOYSA-N 0 1 383.416 1.390 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nc2ccccc2n1C1CCCC1 ZINC000823136002 607219003 /nfs/dbraw/zinc/21/90/03/607219003.db2.gz FJWRWAXXSVCTGO-UHFFFAOYSA-N 0 1 378.400 1.562 20 0 GDADMN C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821623074 607230372 /nfs/dbraw/zinc/23/03/72/607230372.db2.gz BTUCXCLIZJFBCA-AAEUAGOBSA-N 0 1 380.449 1.111 20 0 GDADMN C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821623074 607230373 /nfs/dbraw/zinc/23/03/73/607230373.db2.gz BTUCXCLIZJFBCA-AAEUAGOBSA-N 0 1 380.449 1.111 20 0 GDADMN C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821623074 607230374 /nfs/dbraw/zinc/23/03/74/607230374.db2.gz BTUCXCLIZJFBCA-AAEUAGOBSA-N 0 1 380.449 1.111 20 0 GDADMN C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821623074 607230375 /nfs/dbraw/zinc/23/03/75/607230375.db2.gz BTUCXCLIZJFBCA-AAEUAGOBSA-N 0 1 380.449 1.111 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(Cc2ccccc2)ccc1O ZINC000823131945 607234701 /nfs/dbraw/zinc/23/47/01/607234701.db2.gz RTJDXCOOFSKSJD-UHFFFAOYSA-N 0 1 376.380 1.393 20 0 GDADMN COc1cc(C)cc(CNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)c1 ZINC000826178229 607781023 /nfs/dbraw/zinc/78/10/23/607781023.db2.gz OUVYKWUTVTULFH-UHFFFAOYSA-N 0 1 386.437 1.936 20 0 GDADMN CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)[C@H]2C1 ZINC000826146195 607858350 /nfs/dbraw/zinc/85/83/50/607858350.db2.gz RMTBLIZWMNNIQD-IKGGRYGDSA-N 0 1 386.456 1.464 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)CCc2ncc(C)s2)cc1-c1nn[nH]n1 ZINC000826229861 607868803 /nfs/dbraw/zinc/86/88/03/607868803.db2.gz UMRTUWYFGNMMBR-UHFFFAOYSA-N 0 1 391.482 1.769 20 0 GDADMN COCCn1c(=O)cc(O)nc1SCc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000826163838 607971737 /nfs/dbraw/zinc/97/17/37/607971737.db2.gz NVKDQNCXVPACQE-UHFFFAOYSA-N 0 1 390.425 1.076 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cccc3)c2)c1-c1nnn[n-]1 ZINC000826083546 608019857 /nfs/dbraw/zinc/01/98/57/608019857.db2.gz MOXRGCZOGBLESJ-UHFFFAOYSA-N 0 1 391.439 1.785 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cccc3)c2)c1-c1nn[n-]n1 ZINC000826083546 608019858 /nfs/dbraw/zinc/01/98/58/608019858.db2.gz MOXRGCZOGBLESJ-UHFFFAOYSA-N 0 1 391.439 1.785 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000826073326 608020189 /nfs/dbraw/zinc/02/01/89/608020189.db2.gz NZWUYWDERGBLCM-UHFFFAOYSA-N 0 1 382.472 1.967 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000826073326 608020190 /nfs/dbraw/zinc/02/01/90/608020190.db2.gz NZWUYWDERGBLCM-UHFFFAOYSA-N 0 1 382.472 1.967 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N(C)C)cc2F)c1-c1nnn[n-]1 ZINC000826084272 608023084 /nfs/dbraw/zinc/02/30/84/608023084.db2.gz XKBCICFJQYRNFE-UHFFFAOYSA-N 0 1 387.423 1.199 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N(C)C)cc2F)c1-c1nn[n-]n1 ZINC000826084272 608023085 /nfs/dbraw/zinc/02/30/85/608023085.db2.gz XKBCICFJQYRNFE-UHFFFAOYSA-N 0 1 387.423 1.199 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000826256097 608098075 /nfs/dbraw/zinc/09/80/75/608098075.db2.gz UYBGLTBYIZDYTL-SNVBAGLBSA-N 0 1 376.446 1.456 20 0 GDADMN C[C@@H]1OCC[C@@H]1NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825020196 608114688 /nfs/dbraw/zinc/11/46/88/608114688.db2.gz JFQASEUNLFCNRB-YOEHRIQHSA-N 0 1 385.472 1.261 20 0 GDADMN CC1([C@@H]2CCCN(Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)OCCO1 ZINC000824816797 608131548 /nfs/dbraw/zinc/13/15/48/608131548.db2.gz IBEAJBYJUGXVPE-OAHLLOKOSA-N 0 1 397.439 1.892 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](CCO)C2CCCCC2)cc1-c1nn[nH]n1 ZINC000826229659 608204785 /nfs/dbraw/zinc/20/47/85/608204785.db2.gz MKLLFVVHSRAHRM-ZDUSSCGKSA-N 0 1 392.485 1.750 20 0 GDADMN CC[N@H+]1C[C@@H](C)N(C(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)C[C@@H]1C ZINC000825443491 608246596 /nfs/dbraw/zinc/24/65/96/608246596.db2.gz CPWOZOUZSCYBCZ-NWDGAFQWSA-N 0 1 387.488 1.458 20 0 GDADMN CC[N@@H+]1C[C@@H](C)N(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C[C@@H]1C ZINC000825443491 608246597 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ZINC001571286681 945955340 /nfs/dbraw/zinc/95/53/40/945955340.db2.gz ONRCLLDQDRYTCV-ZJUUUORDSA-N 0 1 388.432 1.384 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571286823 945959631 /nfs/dbraw/zinc/95/96/31/945959631.db2.gz SNBSQAJILXBMPK-ZJUUUORDSA-N 0 1 388.432 1.645 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001571287403 945972110 /nfs/dbraw/zinc/97/21/10/945972110.db2.gz CYPABJFEKIWIPQ-STQMWFEESA-N 0 1 388.451 1.400 20 0 GDADMN CN(C(=O)[C@H]1CCCCO1)[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571287612 945976012 /nfs/dbraw/zinc/97/60/12/945976012.db2.gz GCYBUVYRNNQQAL-NVXWUHKLSA-N 0 1 388.447 1.608 20 0 GDADMN Cc1nonc1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289517 946010737 /nfs/dbraw/zinc/01/07/37/946010737.db2.gz GPDKAYREWMXSDB-MNOVXSKESA-N 0 1 388.457 1.450 20 0 GDADMN Cc1nonc1C(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289517 946010750 /nfs/dbraw/zinc/01/07/50/946010750.db2.gz GPDKAYREWMXSDB-MNOVXSKESA-N 0 1 388.457 1.450 20 0 GDADMN C[C@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290205 946030987 /nfs/dbraw/zinc/03/09/87/946030987.db2.gz XOWYQSPYSORTES-GXTWGEPZSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290205 946031002 /nfs/dbraw/zinc/03/10/02/946031002.db2.gz XOWYQSPYSORTES-GXTWGEPZSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290205 946031016 /nfs/dbraw/zinc/03/10/16/946031016.db2.gz XOWYQSPYSORTES-GXTWGEPZSA-N 0 1 388.497 1.744 20 0 GDADMN C[C@H]1C[C@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290205 946031028 /nfs/dbraw/zinc/03/10/28/946031028.db2.gz XOWYQSPYSORTES-GXTWGEPZSA-N 0 1 388.497 1.744 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)cc1F ZINC001571290811 946058099 /nfs/dbraw/zinc/05/80/99/946058099.db2.gz PWLUOACETYTBOV-MGCOHNPYSA-N 0 1 388.794 1.244 20 0 GDADMN CCOC(=O)C1([C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CCOCC1 ZINC001571291165 946068319 /nfs/dbraw/zinc/06/83/19/946068319.db2.gz FGDBBZFVTSYIGB-NSHDSACASA-N 0 1 389.412 1.051 20 0 GDADMN CC[C@H](C(=O)N1CCC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571294492 946136458 /nfs/dbraw/zinc/13/64/58/946136458.db2.gz HNRBUCIUTQOWBB-XJKSGUPXSA-N 0 1 389.479 1.997 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCc2ccccc21 ZINC001571298093 946205589 /nfs/dbraw/zinc/20/55/89/946205589.db2.gz JHKGYUJVCBTYMD-DZKIICNBSA-N 0 1 390.451 1.258 20 0 GDADMN Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)ccn1 ZINC001571298399 946216998 /nfs/dbraw/zinc/21/69/98/946216998.db2.gz GCSRDYQWJUJTOV-XGBSXSJOSA-N 0 1 390.451 1.386 20 0 GDADMN C[C@@H]1CO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001571299335 946245843 /nfs/dbraw/zinc/24/58/43/946245843.db2.gz KZGODLZQIRICFE-PWNZVWSESA-N 0 1 390.513 1.870 20 0 GDADMN C[C@@H]1CO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)C1 ZINC001571299335 946245857 /nfs/dbraw/zinc/24/58/57/946245857.db2.gz KZGODLZQIRICFE-PWNZVWSESA-N 0 1 390.513 1.870 20 0 GDADMN CN(C(=O)[C@@H]1CCCO1)C1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299357 946247633 /nfs/dbraw/zinc/24/76/33/946247633.db2.gz LQAWETFVTWTIQM-PIMMBPRGSA-N 0 1 390.513 1.966 20 0 GDADMN CN(C(=O)[C@@H]1CCCO1)C1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299357 946247640 /nfs/dbraw/zinc/24/76/40/946247640.db2.gz LQAWETFVTWTIQM-PIMMBPRGSA-N 0 1 390.513 1.966 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC001571299382 946249127 /nfs/dbraw/zinc/24/91/27/946249127.db2.gz LZYHHJDXJMJKIV-KBPBESRZSA-N 0 1 390.513 1.778 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)[C@H]1CCCOC1 ZINC001571299382 946249133 /nfs/dbraw/zinc/24/91/33/946249133.db2.gz LZYHHJDXJMJKIV-KBPBESRZSA-N 0 1 390.513 1.778 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001571300205 946275417 /nfs/dbraw/zinc/27/54/17/946275417.db2.gz WVAZCXCGYVPFSL-FZKQIMNGSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCOC1 ZINC001571300205 946275427 /nfs/dbraw/zinc/27/54/27/946275427.db2.gz WVAZCXCGYVPFSL-FZKQIMNGSA-N 0 1 390.513 1.826 20 0 GDADMN COCC(=O)N1CCC([N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC2CC2)CC1 ZINC001571300279 946276908 /nfs/dbraw/zinc/27/69/08/946276908.db2.gz YSNJFRRPSGPXIY-UHFFFAOYSA-N 0 1 390.513 1.778 20 0 GDADMN COCC(=O)N1CCC([N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC2CC2)CC1 ZINC001571300279 946276919 /nfs/dbraw/zinc/27/69/19/946276919.db2.gz YSNJFRRPSGPXIY-UHFFFAOYSA-N 0 1 390.513 1.778 20 0 GDADMN COCC(=O)N1CCC([N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC2CC2)CC1 ZINC001571300279 946276930 /nfs/dbraw/zinc/27/69/30/946276930.db2.gz YSNJFRRPSGPXIY-UHFFFAOYSA-N 0 1 390.513 1.778 20 0 GDADMN COCC(=O)N1CCC([N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC2CC2)CC1 ZINC001571300279 946276941 /nfs/dbraw/zinc/27/69/41/946276941.db2.gz YSNJFRRPSGPXIY-UHFFFAOYSA-N 0 1 390.513 1.778 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3cnc(C4CC4)nc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302596 946308148 /nfs/dbraw/zinc/30/81/48/946308148.db2.gz CJRROMWAFKUAJE-AWEZNQCLSA-N 0 1 391.439 1.246 20 0 GDADMN O=C(c1ccc2c(c1)CCOC2)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571302971 946320120 /nfs/dbraw/zinc/32/01/20/946320120.db2.gz GEENIOZYTLSMDP-MRXNPFEDSA-N 0 1 391.435 1.083 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccn1 ZINC001571303134 946327284 /nfs/dbraw/zinc/32/72/84/946327284.db2.gz IFFRYVABCZPQTC-HWWDLCQESA-N 0 1 391.435 1.131 20 0 GDADMN Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571304093 946357663 /nfs/dbraw/zinc/35/76/63/946357663.db2.gz XTLPKPHBYFJWFE-KDOFPFPSSA-N 0 1 391.435 1.009 20 0 GDADMN CC1(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C(C)(C)C2)CC(F)(F)C1 ZINC001571309195 946441903 /nfs/dbraw/zinc/44/19/03/946441903.db2.gz XJVZLYIAENKTSA-JTQLQIEISA-N 0 1 392.414 1.163 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)CC2(C)C)ncn1 ZINC001571315871 946560291 /nfs/dbraw/zinc/56/02/91/946560291.db2.gz QFGBXIXCEQDQNR-QGZVFWFLSA-N 0 1 392.467 1.606 20 0 GDADMN Cc1ccc(CC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)cn1 ZINC001571316194 946569421 /nfs/dbraw/zinc/56/94/21/946569421.db2.gz WANWKQNXSKIAND-GDBMZVCRSA-N 0 1 392.467 1.421 20 0 GDADMN Cc1cc(C(=O)NC2CC(CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cc(C)n1 ZINC001571316323 946574781 /nfs/dbraw/zinc/57/47/81/946574781.db2.gz ZSIDMAGHSIABNS-UHFFFAOYSA-N 0 1 392.467 1.624 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@H](C)[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571316496 946579928 /nfs/dbraw/zinc/57/99/28/946579928.db2.gz DPIXMSVGKNLRCR-GOEBONIOSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1cccc(C)c1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571317174 946601643 /nfs/dbraw/zinc/60/16/43/946601643.db2.gz XCDVSBFEABMGCZ-HUUCEWRRSA-N 0 1 392.467 1.516 20 0 GDADMN CC(=O)Nc1ccc(C(=O)NCCN(C)c2ccncc2-c2nn[nH]n2)cc1 ZINC001573547308 946832350 /nfs/dbraw/zinc/83/23/50/946832350.db2.gz JGCFGEFAORHPDK-UHFFFAOYSA-N 0 1 380.412 1.086 20 0 GDADMN C[C@@H](NCc1cccc(-c2nn[nH]n2)c1F)c1ccc(S(N)(=O)=O)cc1 ZINC000824617055 946864206 /nfs/dbraw/zinc/86/42/06/946864206.db2.gz CIRRJGUVENQLIY-SNVBAGLBSA-N 0 1 376.417 1.504 20 0 GDADMN CCc1ccc([C@@H](CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)[NH+](C)C)cc1 ZINC000825704889 947295456 /nfs/dbraw/zinc/29/54/56/947295456.db2.gz PBQNATKKEJNACN-MRXNPFEDSA-N 0 1 383.456 1.687 20 0 GDADMN CCc1ccc([C@H](CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)[NH+](C)C)cc1 ZINC000825704888 947296170 /nfs/dbraw/zinc/29/61/70/947296170.db2.gz PBQNATKKEJNACN-INIZCTEOSA-N 0 1 383.456 1.687 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001573594830 947409073 /nfs/dbraw/zinc/40/90/73/947409073.db2.gz CTDCGPPQBRGCAY-NWDGAFQWSA-N 0 1 390.469 1.234 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001573594830 947409082 /nfs/dbraw/zinc/40/90/82/947409082.db2.gz CTDCGPPQBRGCAY-NWDGAFQWSA-N 0 1 390.469 1.234 20 0 GDADMN CN(Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CN(C)CCO1 ZINC000826045299 947418530 /nfs/dbraw/zinc/41/85/30/947418530.db2.gz UFAWDMYWGGTZQU-KRWDZBQOSA-N 0 1 382.472 1.030 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000826073249 947421401 /nfs/dbraw/zinc/42/14/01/947421401.db2.gz LLJOVQOSOGKOBU-ZDUSSCGKSA-N 0 1 382.472 1.868 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000826073249 947421411 /nfs/dbraw/zinc/42/14/11/947421411.db2.gz LLJOVQOSOGKOBU-ZDUSSCGKSA-N 0 1 382.472 1.868 20 0 GDADMN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573599236 947453256 /nfs/dbraw/zinc/45/32/56/947453256.db2.gz WLVYWGMXIWVWMN-LBPRGKRZSA-N 0 1 389.489 1.061 20 0 GDADMN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573599236 947453259 /nfs/dbraw/zinc/45/32/59/947453259.db2.gz WLVYWGMXIWVWMN-LBPRGKRZSA-N 0 1 389.489 1.061 20 0 GDADMN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001573599236 947453265 /nfs/dbraw/zinc/45/32/65/947453265.db2.gz WLVYWGMXIWVWMN-LBPRGKRZSA-N 0 1 389.489 1.061 20 0 GDADMN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001573599236 947453270 /nfs/dbraw/zinc/45/32/70/947453270.db2.gz WLVYWGMXIWVWMN-LBPRGKRZSA-N 0 1 389.489 1.061 20 0 GDADMN C[C@@H](C(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001573603499 947488706 /nfs/dbraw/zinc/48/87/06/947488706.db2.gz MBKYSGBDDXOFCD-ZDUSSCGKSA-N 0 1 386.435 1.354 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573615697 947608062 /nfs/dbraw/zinc/60/80/62/947608062.db2.gz JUUIBBBCZZSPGY-KBPBESRZSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573615776 947610216 /nfs/dbraw/zinc/61/02/16/947610216.db2.gz KLIFDSCHOZWMMD-STQMWFEESA-N 0 1 382.428 1.126 20 0 GDADMN C[C@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573615774 947611502 /nfs/dbraw/zinc/61/15/02/947611502.db2.gz KLIFDSCHOZWMMD-QWHCGFSZSA-N 0 1 382.428 1.126 20 0 GDADMN C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573352204 947627406 /nfs/dbraw/zinc/62/74/06/947627406.db2.gz YNQAZSFLLZXVEY-OAHLLOKOSA-N 0 1 376.424 1.651 20 0 GDADMN C[C@@H](C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573617805 947640968 /nfs/dbraw/zinc/64/09/68/947640968.db2.gz NCEBWQHCSHNRPG-BBRMVZONSA-N 0 1 383.431 1.759 20 0 GDADMN CS(=O)(=O)c1cc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)ccc1F ZINC000826224156 947663198 /nfs/dbraw/zinc/66/31/98/947663198.db2.gz RFDQKPCDXSBMGA-UHFFFAOYSA-N 0 1 397.413 1.210 20 0 GDADMN CC(=O)CCCC(=O)N(C)C[C@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001573367300 947756892 /nfs/dbraw/zinc/75/68/92/947756892.db2.gz BPROUBBZSLCSJJ-LBPRGKRZSA-N 0 1 376.436 1.702 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573629186 947773762 /nfs/dbraw/zinc/77/37/62/947773762.db2.gz RFYXEZFAORKIBU-GHMZBOCLSA-N 0 1 383.378 1.675 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573629633 947782229 /nfs/dbraw/zinc/78/22/29/947782229.db2.gz OTAAJWXMZPFFTN-KBPBESRZSA-N 0 1 384.488 1.555 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573372789 947783183 /nfs/dbraw/zinc/78/31/83/947783183.db2.gz CMNPIEJYSPHLMF-KBPBESRZSA-N 0 1 386.460 1.019 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC001573373351 947792471 /nfs/dbraw/zinc/79/24/71/947792471.db2.gz IDJIRCXRXJIKCJ-TZMCWYRMSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC001573373351 947792480 /nfs/dbraw/zinc/79/24/80/947792480.db2.gz IDJIRCXRXJIKCJ-TZMCWYRMSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573377405 947847760 /nfs/dbraw/zinc/84/77/60/947847760.db2.gz NDOAQSIWLXKEQS-ZWKOTPCHSA-N 0 1 382.468 1.659 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573647328 947888860 /nfs/dbraw/zinc/88/88/60/947888860.db2.gz HYULQBJKJLJJQL-IJLUTSLNSA-N 0 1 384.469 1.203 20 0 GDADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccs1 ZINC001573647327 947889726 /nfs/dbraw/zinc/88/97/26/947889726.db2.gz HYULQBJKJLJJQL-GRYCIOLGSA-N 0 1 384.469 1.203 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651260 947920182 /nfs/dbraw/zinc/92/01/82/947920182.db2.gz KPHLSRKMRFIPGW-UVWXRNBGSA-N 0 1 392.414 1.233 20 0 GDADMN C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)C(C)(F)F ZINC001573658264 948008985 /nfs/dbraw/zinc/00/89/85/948008985.db2.gz ROZBLJXNSYBQBT-JTQLQIEISA-N 0 1 380.403 1.211 20 0 GDADMN Cc1onc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1-c1nnn[n-]1 ZINC000826348029 948064774 /nfs/dbraw/zinc/06/47/74/948064774.db2.gz QPSITCGVBMPRBB-UHFFFAOYSA-N 0 1 381.440 1.618 20 0 GDADMN Cc1onc(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1-c1nn[n-]n1 ZINC000826348029 948064782 /nfs/dbraw/zinc/06/47/82/948064782.db2.gz QPSITCGVBMPRBB-UHFFFAOYSA-N 0 1 381.440 1.618 20 0 GDADMN Cn1cc(CN2CCSC[C@@H]2CCO)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361260 948130182 /nfs/dbraw/zinc/13/01/82/948130182.db2.gz QZKBVINZSPTUNM-INIZCTEOSA-N 0 1 385.497 1.567 20 0 GDADMN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cccc1 ZINC001573679358 948160962 /nfs/dbraw/zinc/16/09/62/948160962.db2.gz IBYUHUGXIQSLPG-WFASDCNBSA-N 0 1 385.497 1.975 20 0 GDADMN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cccc1 ZINC001573679358 948160969 /nfs/dbraw/zinc/16/09/69/948160969.db2.gz IBYUHUGXIQSLPG-WFASDCNBSA-N 0 1 385.497 1.975 20 0 GDADMN N=C(NOCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1COc2ccccc2O1 ZINC000826388309 948193430 /nfs/dbraw/zinc/19/34/30/948193430.db2.gz RJHROJQKUKVCJO-INIZCTEOSA-N 0 1 382.380 1.584 20 0 GDADMN NC(=O)CC[C@@H]1CCCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826390991 948197787 /nfs/dbraw/zinc/19/77/87/948197787.db2.gz STDGQKIIPIYZOT-YOEHRIQHSA-N 0 1 397.483 1.340 20 0 GDADMN CC(=O)N1CC[C@@H](OC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)c2ccccc21 ZINC001573439652 948248921 /nfs/dbraw/zinc/24/89/21/948248921.db2.gz NXOFWJOOMLAFEU-IINYFYTJSA-N 0 1 382.384 1.060 20 0 GDADMN O=C(COc1ccccc1-c1nn[nH]n1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000826419448 948262400 /nfs/dbraw/zinc/26/24/00/948262400.db2.gz YLZYJRZRYOTCFO-INIZCTEOSA-N 0 1 376.380 1.269 20 0 GDADMN C[C@@H](C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCCCC1 ZINC001573705398 948399751 /nfs/dbraw/zinc/39/97/51/948399751.db2.gz FLDJFGUFFDSUNC-NNTXTVRGSA-N 0 1 385.476 1.006 20 0 GDADMN C[C@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573708892 948461327 /nfs/dbraw/zinc/46/13/27/948461327.db2.gz YHSPWITXTZGRAI-CQSZACIVSA-N 0 1 380.456 1.445 20 0 GDADMN C[C@H](C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573708897 948462562 /nfs/dbraw/zinc/46/25/62/948462562.db2.gz YMYWSCXQSGROTF-AWEZNQCLSA-N 0 1 377.452 1.613 20 0 GDADMN C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)n1cccc1 ZINC001573720147 948530070 /nfs/dbraw/zinc/53/00/70/948530070.db2.gz PCTZDIAESBIOAE-VIFPVBQESA-N 0 1 380.865 1.592 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001573725535 948542609 /nfs/dbraw/zinc/54/26/09/948542609.db2.gz AKJDWPJJPHPBPQ-GARJFASQSA-N 0 1 383.378 1.579 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C1CCCC1 ZINC001573729923 948574215 /nfs/dbraw/zinc/57/42/15/948574215.db2.gz WRAYFOLJBDRTAR-VNHYZAJKSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573736046 948610890 /nfs/dbraw/zinc/61/08/90/948610890.db2.gz CJWQZUPXSXBKDZ-HBNTYKKESA-N 0 1 380.403 1.209 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001573753135 948717291 /nfs/dbraw/zinc/71/72/91/948717291.db2.gz RHILHLXTJSAJMI-ZJQBRPOHSA-N 0 1 376.486 1.480 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001573753135 948717295 /nfs/dbraw/zinc/71/72/95/948717295.db2.gz RHILHLXTJSAJMI-ZJQBRPOHSA-N 0 1 376.486 1.480 20 0 GDADMN CC(C)c1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC001574416092 948744395 /nfs/dbraw/zinc/74/43/95/948744395.db2.gz OPWHAVKSOMUSQQ-UHFFFAOYSA-N 0 1 378.440 1.577 20 0 GDADMN CC(C)c1cccc(CN(C)[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574420599 948803347 /nfs/dbraw/zinc/80/33/47/948803347.db2.gz ZPHARXYZNNGVLB-ZDUSSCGKSA-N 0 1 382.472 1.964 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575225768 948811672 /nfs/dbraw/zinc/81/16/72/948811672.db2.gz FDSRKBBWHANUNJ-LLVKDONJSA-N 0 1 380.403 1.165 20 0 GDADMN CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574081099 948813582 /nfs/dbraw/zinc/81/35/82/948813582.db2.gz PQZSPHSNJHKXTR-LRDDRELGSA-N 0 1 375.452 1.977 20 0 GDADMN CC(C)c1ccoc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574421542 948816937 /nfs/dbraw/zinc/81/69/37/948816937.db2.gz LTCNIZAZKGOGKZ-HAQNSBGRSA-N 0 1 382.428 1.416 20 0 GDADMN CC(C)c1nc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574424581 948860001 /nfs/dbraw/zinc/86/00/01/948860001.db2.gz QWGMSOVLJTWGIC-UWVGGRQHSA-N 0 1 387.473 1.277 20 0 GDADMN CC(C)(C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001573764322 948884575 /nfs/dbraw/zinc/88/45/75/948884575.db2.gz MUZPZOLRZZUFBH-OAHLLOKOSA-N 0 1 392.467 1.459 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234763 948904821 /nfs/dbraw/zinc/90/48/21/948904821.db2.gz DTOUYLATBHTMGL-HNNXBMFYSA-N 0 1 380.403 1.165 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)CC1(O)CCC1 ZINC001574685269 948907418 /nfs/dbraw/zinc/90/74/18/948907418.db2.gz UMCSDARIZBGWMU-QMMMGPOBSA-N 0 1 385.881 1.588 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575235583 948921626 /nfs/dbraw/zinc/92/16/26/948921626.db2.gz PNRCYPKSBVNMAN-QGZVFWFLSA-N 0 1 392.414 1.521 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573772845 948971834 /nfs/dbraw/zinc/97/18/34/948971834.db2.gz WYWBXQNDMPYTQS-VHSXEESVSA-N 0 1 380.403 1.067 20 0 GDADMN CC(C)(C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001573774353 949009683 /nfs/dbraw/zinc/00/96/83/949009683.db2.gz NAYDWJYOCDNPOJ-OAHLLOKOSA-N 0 1 392.467 1.363 20 0 GDADMN CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001574091394 949016939 /nfs/dbraw/zinc/01/69/39/949016939.db2.gz KWLMXINYZJMGKV-ZIAGYGMSSA-N 0 1 385.472 1.053 20 0 GDADMN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574091665 949026794 /nfs/dbraw/zinc/02/67/94/949026794.db2.gz PZSJMHNKFODEOD-FZKQIMNGSA-N 0 1 384.488 1.459 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)C(F)(F)F ZINC001573775051 949031978 /nfs/dbraw/zinc/03/19/78/949031978.db2.gz SQLAPVBXONWVLY-UHFFFAOYSA-N 0 1 384.366 1.118 20 0 GDADMN C[C@H](CNC(=O)COC(C)(C)C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574927141 949034270 /nfs/dbraw/zinc/03/42/70/949034270.db2.gz FWHBDHXYYDXDOA-MRVPVSSYSA-N 0 1 387.897 1.733 20 0 GDADMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000361982456 971533665 /nfs/dbraw/zinc/53/36/65/971533665.db2.gz UFVRJTVCIDQIBZ-OAHLLOKOSA-N 0 1 375.469 1.593 20 0 GDADMN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000361982456 971533676 /nfs/dbraw/zinc/53/36/76/971533676.db2.gz UFVRJTVCIDQIBZ-OAHLLOKOSA-N 0 1 375.469 1.593 20 0 GDADMN CC(C)[C@]1(C)C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001574092044 949040711 /nfs/dbraw/zinc/04/07/11/949040711.db2.gz QVFVQJFCAPGCRH-UGSOOPFHSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573779453 949062584 /nfs/dbraw/zinc/06/25/84/949062584.db2.gz IKDSQJNKVJYHQQ-ZDUSSCGKSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573779676 949066229 /nfs/dbraw/zinc/06/62/29/949066229.db2.gz LTTDZYYVHZWHFK-VIFPVBQESA-N 0 1 384.366 1.330 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573780030 949077205 /nfs/dbraw/zinc/07/72/05/949077205.db2.gz QDIWKMXNTAXWMR-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001574441885 949082106 /nfs/dbraw/zinc/08/21/06/949082106.db2.gz DNVCXEVXWMGOGB-OAHLLOKOSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@H](CNC(=O)COC1CCCCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574929503 949096003 /nfs/dbraw/zinc/09/60/03/949096003.db2.gz FROLBPZZQLZYAT-CYBMUJFWSA-N 0 1 390.463 1.949 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001574694988 949099458 /nfs/dbraw/zinc/09/94/58/949099458.db2.gz YICHQQYQFHGQDM-CJNGLKHVSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCC1 ZINC001574694988 949099481 /nfs/dbraw/zinc/09/94/81/949099481.db2.gz YICHQQYQFHGQDM-CJNGLKHVSA-N 0 1 387.492 1.036 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001574698453 949190434 /nfs/dbraw/zinc/19/04/34/949190434.db2.gz LAKDMYJVTPWTCH-RYUDHWBXSA-N 0 1 386.435 1.867 20 0 GDADMN CC(C)c1ocnc1CNC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574449382 949197311 /nfs/dbraw/zinc/19/73/11/949197311.db2.gz QEOPAABBJUNPBR-AULYBMBSSA-N 0 1 384.444 1.604 20 0 GDADMN CC(C)c1oncc1C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574450288 949213995 /nfs/dbraw/zinc/21/39/95/949213995.db2.gz ZJJDJZGPHFJDCE-GFCCVEGCSA-N 0 1 382.428 1.369 20 0 GDADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001575854636 949238447 /nfs/dbraw/zinc/23/84/47/949238447.db2.gz YLXYQKYLTKHZAI-LLVKDONJSA-N 0 1 392.414 1.307 20 0 GDADMN C[C@H](CNC(=O)Cc1ccccc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574940721 949271999 /nfs/dbraw/zinc/27/19/99/949271999.db2.gz IWRZUUXVEVGRKX-LLVKDONJSA-N 0 1 386.847 1.494 20 0 GDADMN CC(C)n1cc(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574452953 949273659 /nfs/dbraw/zinc/27/36/59/949273659.db2.gz SMVPWJCNPCRNKE-AWEZNQCLSA-N 0 1 381.444 1.178 20 0 GDADMN CC(C)n1ccc(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574457277 949319656 /nfs/dbraw/zinc/31/96/56/949319656.db2.gz FNNLSMFNUBXRDK-UHFFFAOYSA-N 0 1 381.444 1.082 20 0 GDADMN CC(C)n1ccc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)n1 ZINC001574457611 949334177 /nfs/dbraw/zinc/33/41/77/949334177.db2.gz LGNQCCJEDUONHS-UHFFFAOYSA-N 0 1 381.444 1.226 20 0 GDADMN CC(C)n1ccc(C(=O)N[C@H](C)CNCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001574459793 949361349 /nfs/dbraw/zinc/36/13/49/949361349.db2.gz KVUABJOGMMZYRM-GFCCVEGCSA-N 0 1 386.435 1.691 20 0 GDADMN CC(C)n1ccc(CC(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001574943057 949368535 /nfs/dbraw/zinc/36/85/35/949368535.db2.gz VONIAQQLHHGEKU-GFCCVEGCSA-N 0 1 388.501 1.543 20 0 GDADMN CC(C)n1ccc(CC(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001574943057 949368555 /nfs/dbraw/zinc/36/85/55/949368555.db2.gz VONIAQQLHHGEKU-GFCCVEGCSA-N 0 1 388.501 1.543 20 0 GDADMN C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576155321 949397275 /nfs/dbraw/zinc/39/72/75/949397275.db2.gz IBAYIQLDFKLHPX-HIFRSBDPSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CNC(=O)Cc1ncccc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574944855 949402737 /nfs/dbraw/zinc/40/27/37/949402737.db2.gz HIUHUWRTMQKXLP-LLVKDONJSA-N 0 1 387.394 1.377 20 0 GDADMN C[C@@H](CNC(=O)Cc1ncccc1F)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574944856 949403154 /nfs/dbraw/zinc/40/31/54/949403154.db2.gz HIUHUWRTMQKXLP-NSHDSACASA-N 0 1 387.394 1.377 20 0 GDADMN C[C@@H](NC(=O)[C@@H]1CCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264394 949425530 /nfs/dbraw/zinc/42/55/30/949425530.db2.gz NYTFRCKWBCCMMF-RISCZKNCSA-N 0 1 376.486 1.434 20 0 GDADMN C[C@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574946691 949438481 /nfs/dbraw/zinc/43/84/81/949438481.db2.gz XKJWOMXZVBIQDC-SNVBAGLBSA-N 0 1 375.433 1.299 20 0 GDADMN C[C@H](CNC(=O)Cc1ncccc1F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574946691 949438491 /nfs/dbraw/zinc/43/84/91/949438491.db2.gz XKJWOMXZVBIQDC-SNVBAGLBSA-N 0 1 375.433 1.299 20 0 GDADMN CC(C)(C)C(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573803321 949438597 /nfs/dbraw/zinc/43/85/97/949438597.db2.gz NDXOPDFOSAZUMT-SFHVURJKSA-N 0 1 376.436 1.105 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[NH+](C)C ZINC001576156583 949450602 /nfs/dbraw/zinc/45/06/02/949450602.db2.gz NGWMXPHGDHBTAR-UGSOOPFHSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[NH+](C)C ZINC001576156583 949450613 /nfs/dbraw/zinc/45/06/13/949450613.db2.gz NGWMXPHGDHBTAR-UGSOOPFHSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H](CN(C)C(=O)C1CCC(C2CC2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574708227 949489152 /nfs/dbraw/zinc/48/91/52/949489152.db2.gz UKMCDLCOITZNKS-LRVUVFPRSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)CCCOC1 ZINC001575537741 949497577 /nfs/dbraw/zinc/49/75/77/949497577.db2.gz XCAYXEJNRYPXDX-HNAYVOBHSA-N 0 1 388.447 1.513 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575871931 949523582 /nfs/dbraw/zinc/52/35/82/949523582.db2.gz DBTPDFRNUVYXED-JQWIXIFHSA-N 0 1 392.414 1.566 20 0 GDADMN CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574122455 949526106 /nfs/dbraw/zinc/52/61/06/949526106.db2.gz WXBGURLNJZOZFH-MRXNPFEDSA-N 0 1 392.467 1.923 20 0 GDADMN C[C@@H](CC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574471385 949534664 /nfs/dbraw/zinc/53/46/64/949534664.db2.gz MPOGBGXIJZSXJE-JEYLPNPQSA-N 0 1 392.467 1.674 20 0 GDADMN C[C@@H](NC(=O)C[C@@H]1CCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269731 949563047 /nfs/dbraw/zinc/56/30/47/949563047.db2.gz WONXZFGMPHHJBW-OCCSQVGLSA-N 0 1 390.513 1.824 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnsn1 ZINC001573810610 949573520 /nfs/dbraw/zinc/57/35/20/949573520.db2.gz AVCYSLOZNNGUNW-GFCCVEGCSA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnsn1 ZINC001573810610 949573533 /nfs/dbraw/zinc/57/35/33/949573533.db2.gz AVCYSLOZNNGUNW-GFCCVEGCSA-N 0 1 392.514 1.714 20 0 GDADMN C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873286 949578312 /nfs/dbraw/zinc/57/83/12/949578312.db2.gz AVCRBUBVAIFVAB-KBPBESRZSA-N 0 1 381.444 1.022 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCO1 ZINC001573810845 949582212 /nfs/dbraw/zinc/58/22/12/949582212.db2.gz DTZBPIGCQYCZMQ-CQSZACIVSA-N 0 1 392.485 1.437 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCO1 ZINC001573810845 949582232 /nfs/dbraw/zinc/58/22/32/949582232.db2.gz DTZBPIGCQYCZMQ-CQSZACIVSA-N 0 1 392.485 1.437 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CCCC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166659 949585034 /nfs/dbraw/zinc/58/50/34/949585034.db2.gz NFEOKCTUEYAIGD-ZFWWWQNUSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCCC[C@@H]1C ZINC001576166645 949585188 /nfs/dbraw/zinc/58/51/88/949585188.db2.gz NBZYVZADDUTZTE-NWDGAFQWSA-N 0 1 382.465 1.547 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001575545508 949601875 /nfs/dbraw/zinc/60/18/75/949601875.db2.gz LFKLINASFGPMQS-SJCJKPOMSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOC1 ZINC001575545508 949601888 /nfs/dbraw/zinc/60/18/88/949601888.db2.gz LFKLINASFGPMQS-SJCJKPOMSA-N 0 1 376.486 1.435 20 0 GDADMN CC(C)CC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574128682 949627156 /nfs/dbraw/zinc/62/71/56/949627156.db2.gz OQVHQIMKXWHVJH-KBPBESRZSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957848 949639053 /nfs/dbraw/zinc/63/90/53/949639053.db2.gz ATQPMWOICVMQAB-TUKIKUTGSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574957848 949639065 /nfs/dbraw/zinc/63/90/65/949639065.db2.gz ATQPMWOICVMQAB-TUKIKUTGSA-N 0 1 390.513 1.585 20 0 GDADMN C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575876134 949641758 /nfs/dbraw/zinc/64/17/58/949641758.db2.gz JDSUOHXIVACXCY-TZMCWYRMSA-N 0 1 386.460 1.089 20 0 GDADMN C[C@@H](CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001574477264 949647226 /nfs/dbraw/zinc/64/72/26/949647226.db2.gz PNDSGTRIPIUVRK-WMLDXEAASA-N 0 1 387.488 1.752 20 0 GDADMN C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715814 949669554 /nfs/dbraw/zinc/66/95/54/949669554.db2.gz KRVMTFDFJIXTEJ-SECBINFHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@H](CN(C)C(=O)CC1OCCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715954 949675185 /nfs/dbraw/zinc/67/51/85/949675185.db2.gz GOCDWJVWHWQCEC-GFCCVEGCSA-N 0 1 392.435 1.095 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CC2(CCC2)C1 ZINC001573816680 949685657 /nfs/dbraw/zinc/68/56/57/949685657.db2.gz UODSKWLJPWUSEG-CYBMUJFWSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880249 949697609 /nfs/dbraw/zinc/69/76/09/949697609.db2.gz SWDGLKFWXOJMMY-TZMCWYRMSA-N 0 1 382.428 1.356 20 0 GDADMN C[C@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880246 949699154 /nfs/dbraw/zinc/69/91/54/949699154.db2.gz SWDGLKFWXOJMMY-GXTWGEPZSA-N 0 1 382.428 1.356 20 0 GDADMN C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574478336 949705019 /nfs/dbraw/zinc/70/50/19/949705019.db2.gz YPCNVTRWTRJFKF-KBPBESRZSA-N 0 1 381.444 1.147 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C1CCC(O)CC1 ZINC001573818191 949720158 /nfs/dbraw/zinc/72/01/58/949720158.db2.gz ICOZPKCIOVYHQS-SEEARECTSA-N 0 1 387.488 1.178 20 0 GDADMN C[C@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575277173 949744879 /nfs/dbraw/zinc/74/48/79/949744879.db2.gz OLIABDNHOKWVBZ-STQMWFEESA-N 0 1 383.431 1.761 20 0 GDADMN CC1(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)CC(F)(F)C1 ZINC001575559580 949760544 /nfs/dbraw/zinc/76/05/44/949760544.db2.gz WKZHHUUSUFUUSU-ZDUSSCGKSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574480935 949762768 /nfs/dbraw/zinc/76/27/68/949762768.db2.gz LOVLQSKHCVUJEQ-QWHCGFSZSA-N 0 1 382.428 1.481 20 0 GDADMN C[C@@H]1CCCC[C@@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576171695 949775586 /nfs/dbraw/zinc/77/55/86/949775586.db2.gz RDBOPFYYVJVJAL-KGLIPLIRSA-N 0 1 384.488 1.603 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574966047 949833786 /nfs/dbraw/zinc/83/37/86/949833786.db2.gz SLUDPBPEFHWMCE-XDTLVQLUSA-N 0 1 382.390 1.844 20 0 GDADMN C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574722519 949835862 /nfs/dbraw/zinc/83/58/62/949835862.db2.gz UCTWWGULZMRTHG-CYBMUJFWSA-N 0 1 383.431 1.714 20 0 GDADMN C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574722489 949837536 /nfs/dbraw/zinc/83/75/36/949837536.db2.gz SSDMOMIMFVJJJY-AWEZNQCLSA-N 0 1 381.440 1.412 20 0 GDADMN C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574488837 949951650 /nfs/dbraw/zinc/95/16/50/949951650.db2.gz GQIHJNFJJGLSHO-XPTSAGLGSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180681 949968862 /nfs/dbraw/zinc/96/88/62/949968862.db2.gz QGQYZPWYQBGXKN-SMDDNHRTSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575286965 949991812 /nfs/dbraw/zinc/99/18/12/949991812.db2.gz YQIOILSTEZECAF-HUUCEWRRSA-N 0 1 384.488 1.079 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891248 949996269 /nfs/dbraw/zinc/99/62/69/949996269.db2.gz GYHZQFPSFOIYEK-NXEZZACHSA-N 0 1 387.835 1.426 20 0 GDADMN C[C@H]1CCN(C(=O)CC2CCCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181658 950011273 /nfs/dbraw/zinc/01/12/73/950011273.db2.gz IQOJFDNFTVFHPR-DZGCQCFKSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891658 950021613 /nfs/dbraw/zinc/02/16/13/950021613.db2.gz MKGTTWMXOOCGIV-BXUZGUMPSA-N 0 1 382.403 1.583 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574152873 950121059 /nfs/dbraw/zinc/12/10/59/950121059.db2.gz LBDWAVHOVJEUKN-DOTOQJQBSA-N 0 1 388.520 1.791 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576184729 950142336 /nfs/dbraw/zinc/14/23/36/950142336.db2.gz XIFWDQIUMRBPGC-MLGOLLRUSA-N 0 1 382.428 1.415 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575584046 950158939 /nfs/dbraw/zinc/15/89/39/950158939.db2.gz ORQUSAZNNJAWGA-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575584046 950158947 /nfs/dbraw/zinc/15/89/47/950158947.db2.gz ORQUSAZNNJAWGA-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575584046 950158954 /nfs/dbraw/zinc/15/89/54/950158954.db2.gz ORQUSAZNNJAWGA-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575584046 950158960 /nfs/dbraw/zinc/15/89/60/950158960.db2.gz ORQUSAZNNJAWGA-ACJLOTCBSA-N 0 1 390.513 1.683 20 0 GDADMN CC1(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CC(F)(F)C1 ZINC001575584755 950177130 /nfs/dbraw/zinc/17/71/30/950177130.db2.gz SAMXTMKZSCVBKB-NSHDSACASA-N 0 1 392.414 1.567 20 0 GDADMN CC(C)(C)CCC[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573844978 950211794 /nfs/dbraw/zinc/21/17/94/950211794.db2.gz PSHLMAYECJKGJF-LJQANCHMSA-N 0 1 389.504 1.578 20 0 GDADMN C[C@H](CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001574497087 950228414 /nfs/dbraw/zinc/22/84/14/950228414.db2.gz YTLKMQWFCIPGOU-DYVFJYSZSA-N 0 1 380.456 1.443 20 0 GDADMN C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192147 950230200 /nfs/dbraw/zinc/23/02/00/950230200.db2.gz LZBYPRZPFRTZFC-NWDGAFQWSA-N 0 1 384.419 1.361 20 0 GDADMN CC1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCCCCC1 ZINC001575588179 950248179 /nfs/dbraw/zinc/24/81/79/950248179.db2.gz QCDAYIWMXBFZRZ-AWEZNQCLSA-N 0 1 384.488 1.960 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@H]1CCCO1 ZINC001574158763 950286373 /nfs/dbraw/zinc/28/63/73/950286373.db2.gz SAPMYBYXOKIQAW-LSDHHAIUSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907217 950331156 /nfs/dbraw/zinc/33/11/56/950331156.db2.gz MWOIHARJAMTABD-DGCLKSJQSA-N 0 1 378.502 1.822 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)COC(C)(C)C ZINC001575907217 950331177 /nfs/dbraw/zinc/33/11/77/950331177.db2.gz MWOIHARJAMTABD-DGCLKSJQSA-N 0 1 378.502 1.822 20 0 GDADMN CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)c1cnn[nH]1 ZINC001574161194 950351798 /nfs/dbraw/zinc/35/17/98/950351798.db2.gz RZGIJIJXRYXWEI-SNVBAGLBSA-N 0 1 390.839 1.290 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576196476 950368241 /nfs/dbraw/zinc/36/82/41/950368241.db2.gz FDSMWRKVRYHFFX-IFXJQAMLSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576196476 950368260 /nfs/dbraw/zinc/36/82/60/950368260.db2.gz FDSMWRKVRYHFFX-IFXJQAMLSA-N 0 1 384.488 1.254 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576197245 950387769 /nfs/dbraw/zinc/38/77/69/950387769.db2.gz LVHMRPLAIUDMNC-CYBMUJFWSA-N 0 1 375.452 1.242 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576197245 950387789 /nfs/dbraw/zinc/38/77/89/950387789.db2.gz LVHMRPLAIUDMNC-CYBMUJFWSA-N 0 1 375.452 1.242 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576203775 950448197 /nfs/dbraw/zinc/44/81/97/950448197.db2.gz JJBBFRRDOBAFOX-KBPBESRZSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001576203775 950448210 /nfs/dbraw/zinc/44/82/10/950448210.db2.gz JJBBFRRDOBAFOX-KBPBESRZSA-N 0 1 387.463 1.433 20 0 GDADMN CC(C)CC1(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCCC1 ZINC001574166162 950463233 /nfs/dbraw/zinc/46/32/33/950463233.db2.gz OJZLKFOTZULKFG-UHFFFAOYSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574508174 950470827 /nfs/dbraw/zinc/47/08/27/950470827.db2.gz JZOVOHASYVIHCK-ZDUSSCGKSA-N 0 1 381.444 1.195 20 0 GDADMN CC(C)(C)OC(=O)c1cc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC001573863319 950472076 /nfs/dbraw/zinc/47/20/76/950472076.db2.gz BVLANCADFVMFEM-UHFFFAOYSA-N 0 1 385.384 1.563 20 0 GDADMN CC(C)C[C@H]1CN(C)CCN1C(=O)N[C@@H]1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001574167648 950489286 /nfs/dbraw/zinc/48/92/86/950489286.db2.gz GWWWXEGZIJZDJT-MSOLQXFVSA-N 0 1 383.500 1.706 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc(F)ccc1Cl ZINC001574995431 950509507 /nfs/dbraw/zinc/50/95/07/950509507.db2.gz ZXAKBFMXYWRWQY-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573867099 950518217 /nfs/dbraw/zinc/51/82/17/950518217.db2.gz PJAWIPMJESKVSH-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN CC(C)(C)OCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573867099 950518232 /nfs/dbraw/zinc/51/82/32/950518232.db2.gz PJAWIPMJESKVSH-GFCCVEGCSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753507 950528312 /nfs/dbraw/zinc/52/83/12/950528312.db2.gz ODUPLRHNOHNBAT-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN CC[N@@H+](Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1)C(C)C ZINC001589736093 950531190 /nfs/dbraw/zinc/53/11/90/950531190.db2.gz DHBOIBMICGYACH-MRXNPFEDSA-N 0 1 382.482 1.241 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573868507 950543146 /nfs/dbraw/zinc/54/31/46/950543146.db2.gz CWSOPIKDYSLLII-KZULUSFZSA-N 0 1 386.460 1.089 20 0 GDADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1ccc(F)cc1Cl ZINC001574997742 950555274 /nfs/dbraw/zinc/55/52/74/950555274.db2.gz XZLNTNGTRGLRPL-SECBINFHSA-N 0 1 377.811 1.895 20 0 GDADMN C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574997884 950556076 /nfs/dbraw/zinc/55/60/76/950556076.db2.gz YYSKGKQFSPXSGZ-LLVKDONJSA-N 0 1 383.460 1.537 20 0 GDADMN C[C@H](CNC(=O)CN1CCC(C)CC1)N(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001576206276 950565448 /nfs/dbraw/zinc/56/54/48/950565448.db2.gz VYUKEIHBFVVNMA-CYBMUJFWSA-N 0 1 390.467 1.074 20 0 GDADMN C[C@H]1CC[N@H+](CC(=O)NC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576206918 950585021 /nfs/dbraw/zinc/58/50/21/950585021.db2.gz ZPZCTCMFUQBSOI-BLLLJJGKSA-N 0 1 387.463 1.654 20 0 GDADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001576206918 950585041 /nfs/dbraw/zinc/58/50/41/950585041.db2.gz ZPZCTCMFUQBSOI-BLLLJJGKSA-N 0 1 387.463 1.654 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001574173721 950602701 /nfs/dbraw/zinc/60/27/01/950602701.db2.gz MCYXKNPTRFPIME-HUUCEWRRSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H](C)c1ccccc1F ZINC001574513571 950616051 /nfs/dbraw/zinc/61/60/51/950616051.db2.gz UJVGBRFTISVQNB-VXGBXAGGSA-N 0 1 384.419 1.328 20 0 GDADMN C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)CN1CCC(C)CC1 ZINC001576208976 950621264 /nfs/dbraw/zinc/62/12/64/950621264.db2.gz WWJCHZFZYUPXCB-GFCCVEGCSA-N 0 1 376.440 1.049 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575001344 950631748 /nfs/dbraw/zinc/63/17/48/950631748.db2.gz KUAVKOQLGLUHQP-NSHDSACASA-N 0 1 382.428 1.383 20 0 GDADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC2(CC2)CC1 ZINC001575920526 950632313 /nfs/dbraw/zinc/63/23/13/950632313.db2.gz MJMCEOOONWAROA-JSGCOSHPSA-N 0 1 382.472 1.450 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccccc1O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574759133 950632405 /nfs/dbraw/zinc/63/24/05/950632405.db2.gz KXPIPODXCQZROY-GFCCVEGCSA-N 0 1 384.415 1.962 20 0 GDADMN CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C3(C(=O)[O-])CCOCC3)cc2)CC1 ZINC001589743896 950635938 /nfs/dbraw/zinc/63/59/38/950635938.db2.gz DOEQGTBLNPTDAS-UHFFFAOYSA-N 0 1 389.452 1.284 20 0 GDADMN C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574518260 950651314 /nfs/dbraw/zinc/65/13/14/950651314.db2.gz MXNMELMIBYHIQS-IIAWOOMASA-N 0 1 392.467 1.579 20 0 GDADMN C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575002787 950668252 /nfs/dbraw/zinc/66/82/52/950668252.db2.gz WXWXGBTVPJPTCZ-JTQLQIEISA-N 0 1 384.469 1.107 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575924945 950674591 /nfs/dbraw/zinc/67/45/91/950674591.db2.gz GDUYMOCZAYGOJZ-LRDDRELGSA-N 0 1 391.435 1.334 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001574519370 950675895 /nfs/dbraw/zinc/67/58/95/950675895.db2.gz UEBJNKVPNADVOB-RWMBFGLXSA-N 0 1 386.485 1.513 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001574519370 950675908 /nfs/dbraw/zinc/67/59/08/950675908.db2.gz UEBJNKVPNADVOB-RWMBFGLXSA-N 0 1 386.485 1.513 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760827 950681040 /nfs/dbraw/zinc/68/10/40/950681040.db2.gz MGHOQQQKVQRKGY-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574760827 950681049 /nfs/dbraw/zinc/68/10/49/950681049.db2.gz MGHOQQQKVQRKGY-NSHDSACASA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575005471 950685118 /nfs/dbraw/zinc/68/51/18/950685118.db2.gz FXEPTLDAZMBBLO-SNVBAGLBSA-N 0 1 384.469 1.249 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C2CCC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576215356 950694442 /nfs/dbraw/zinc/69/44/42/950694442.db2.gz AQZWFGHNFGZWIJ-GXTWGEPZSA-N 0 1 384.488 1.554 20 0 GDADMN CC1(C)CC(C(=O)NC[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575628515 950717550 /nfs/dbraw/zinc/71/75/50/950717550.db2.gz DXGDCSKHFSEYRD-AWEZNQCLSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cncs1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574763671 950726343 /nfs/dbraw/zinc/72/63/43/950726343.db2.gz HXBHIOVRIUWPOM-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN CC1(C)CC(C(=O)NCC2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001575629751 950749026 /nfs/dbraw/zinc/74/90/26/950749026.db2.gz RXCKHAWXINXDFX-UHFFFAOYSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576218558 950794499 /nfs/dbraw/zinc/79/44/99/950794499.db2.gz MMJATDVDYPJCQN-QWRGUYRKSA-N 0 1 392.414 1.020 20 0 GDADMN CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])NC(=O)N[C@@H]1c1ccco1 ZINC001590178172 950852401 /nfs/dbraw/zinc/85/24/01/950852401.db2.gz FMUXARUQSDLWKO-SJKOYZFVSA-N 0 1 391.424 1.780 20 0 GDADMN CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])NC(=O)N[C@@H]1c1ccco1 ZINC001590178172 950852417 /nfs/dbraw/zinc/85/24/17/950852417.db2.gz FMUXARUQSDLWKO-SJKOYZFVSA-N 0 1 391.424 1.780 20 0 GDADMN C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576222402 950872327 /nfs/dbraw/zinc/87/23/27/950872327.db2.gz YTMFOCJBQAVKPS-OLZOCXBDSA-N 0 1 384.488 1.411 20 0 GDADMN CCOC(=O)CCCCC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590414073 950951285 /nfs/dbraw/zinc/95/12/85/950951285.db2.gz PSLAXWUVICQVLL-WCQYABFASA-N 0 1 382.379 1.706 20 0 GDADMN CCOC(=O)CCCCC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590414073 950951303 /nfs/dbraw/zinc/95/13/03/950951303.db2.gz PSLAXWUVICQVLL-WCQYABFASA-N 0 1 382.379 1.706 20 0 GDADMN C[C@@H](N[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cc(F)ccc1F ZINC001575017278 950987216 /nfs/dbraw/zinc/98/72/16/950987216.db2.gz JJKSOXAICTYXHL-VHSXEESVSA-N 0 1 375.383 1.942 20 0 GDADMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+]1CC[C@](COC)(C(=O)[O-])C1 ZINC001591092156 951064780 /nfs/dbraw/zinc/06/47/80/951064780.db2.gz RGAFWCDIXOXBGP-SGTLLEGYSA-N 0 1 398.481 1.983 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575026956 951149983 /nfs/dbraw/zinc/14/99/83/951149983.db2.gz BKGNJFJHVZVVFP-GFCCVEGCSA-N 0 1 378.440 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027039 951153367 /nfs/dbraw/zinc/15/33/67/951153367.db2.gz COAZRPYDTJNKHC-ZDUSSCGKSA-N 0 1 392.467 1.963 20 0 GDADMN C[C@@H](CNC(=O)c1ccnn1C1CCC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575034010 951235557 /nfs/dbraw/zinc/23/55/57/951235557.db2.gz GTAFLRLTCXLKRA-GFCCVEGCSA-N 0 1 381.444 1.083 20 0 GDADMN C[C@H](CNC(=O)c1ccns1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575034953 951259912 /nfs/dbraw/zinc/25/99/12/951259912.db2.gz RFWCZVBUNCJIED-SNVBAGLBSA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNC(=O)c1ccnc(-n2cccc2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575036308 951291402 /nfs/dbraw/zinc/29/14/02/951291402.db2.gz QYJGANSYTFJCDK-CYBMUJFWSA-N 0 1 389.423 1.100 20 0 GDADMN C[C@@H](CNC(=O)c1ccsn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575039663 951332043 /nfs/dbraw/zinc/33/20/43/951332043.db2.gz RJJJRUKFTRDAKV-LURJTMIESA-N 0 1 384.878 1.688 20 0 GDADMN C[C@H](CNC(=O)c1ccsc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575039658 951332924 /nfs/dbraw/zinc/33/29/24/951332924.db2.gz RHNWFYJQHDAHOQ-QMMMGPOBSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575042934 951376195 /nfs/dbraw/zinc/37/61/95/951376195.db2.gz DMFIJMLCPSNVQI-NEPJUHHUSA-N 0 1 381.444 1.008 20 0 GDADMN C[C@H](CNC(=O)c1cnn(CCF)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575055349 951504431 /nfs/dbraw/zinc/50/44/31/951504431.db2.gz RFSSSJJCTUOTMY-LLVKDONJSA-N 0 1 390.398 1.080 20 0 GDADMN C[C@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001575065272 951581541 /nfs/dbraw/zinc/58/15/41/951581541.db2.gz BBITZCDBFBJIBR-NSHDSACASA-N 0 1 384.444 1.447 20 0 GDADMN C[C@@H](CNC(=O)c1noc2c1CCCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575066968 951601378 /nfs/dbraw/zinc/60/13/78/951601378.db2.gz ODKKQTOYKRIPIU-NSHDSACASA-N 0 1 382.428 1.383 20 0 GDADMN C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575067445 951611898 /nfs/dbraw/zinc/61/18/98/951611898.db2.gz SOJDBTLNYASCOM-NSHDSACASA-N 0 1 382.428 1.171 20 0 GDADMN C[C@@H](CNCc1c(F)cccc1F)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575077638 951672600 /nfs/dbraw/zinc/67/26/00/951672600.db2.gz HKBTYWZCLYRHOK-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccncc1F ZINC001575090630 951761840 /nfs/dbraw/zinc/76/18/40/951761840.db2.gz MTDLOUWRKQOSKS-NSHDSACASA-N 0 1 387.394 1.790 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCCCO1 ZINC001575091932 951786621 /nfs/dbraw/zinc/78/66/21/951786621.db2.gz ZEXMFWPTNHTQCV-XJKSGUPXSA-N 0 1 390.463 1.902 20 0 GDADMN O=C([O-])CN1CCCC[C@H]([NH2+]Cc2sc(N3CCCC3)nc2Cl)C1=O ZINC001595097086 951826245 /nfs/dbraw/zinc/82/62/45/951826245.db2.gz UOVMPVHMAXSDFT-NSHDSACASA-N 0 1 386.905 1.952 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ncccn1 ZINC001575099354 951831440 /nfs/dbraw/zinc/83/14/40/951831440.db2.gz KNJLYPXBOVOOKG-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ncccn1 ZINC001575099354 951831452 /nfs/dbraw/zinc/83/14/52/951831452.db2.gz KNJLYPXBOVOOKG-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099334 951831919 /nfs/dbraw/zinc/83/19/19/951831919.db2.gz KFYHFNQPKYKNMT-QMMMGPOBSA-N 0 1 379.471 1.246 20 0 GDADMN C[C@H](CNC(=O)c1csc(=O)[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099334 951831935 /nfs/dbraw/zinc/83/19/35/951831935.db2.gz KFYHFNQPKYKNMT-QMMMGPOBSA-N 0 1 379.471 1.246 20 0 GDADMN C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099433 951835574 /nfs/dbraw/zinc/83/55/74/951835574.db2.gz LWPHZUVCRCVJBV-PNPHSEOMSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099433 951835591 /nfs/dbraw/zinc/83/55/91/951835591.db2.gz LWPHZUVCRCVJBV-PNPHSEOMSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100933 951850591 /nfs/dbraw/zinc/85/05/91/951850591.db2.gz XBSJLJKNVKZAHU-ZDUSSCGKSA-N 0 1 386.481 1.849 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100933 951850597 /nfs/dbraw/zinc/85/05/97/951850597.db2.gz XBSJLJKNVKZAHU-ZDUSSCGKSA-N 0 1 386.481 1.849 20 0 GDADMN CC(C)c1nsc(CNC[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001575116560 951971615 /nfs/dbraw/zinc/97/16/15/951971615.db2.gz FDCVTAXAEXOMPF-SNVBAGLBSA-N 0 1 389.489 1.325 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1ccsc1-c1nn[nH]n1)Oc1ccc(F)cc1 ZINC001575116762 951973378 /nfs/dbraw/zinc/97/33/78/951973378.db2.gz HXELORVHQGNRGI-VIFPVBQESA-N 0 1 383.430 1.813 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575141529 952144928 /nfs/dbraw/zinc/14/49/28/952144928.db2.gz HZNYPUSQXORBKZ-AWEZNQCLSA-N 0 1 384.366 1.118 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575142229 952145977 /nfs/dbraw/zinc/14/59/77/952145977.db2.gz KMBAYNORZBQIDG-CJNGLKHVSA-N 0 1 392.467 1.143 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575143121 952149565 /nfs/dbraw/zinc/14/95/65/952149565.db2.gz NLFDFWMTUFXSEJ-MRXNPFEDSA-N 0 1 387.835 1.071 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575143100 952150206 /nfs/dbraw/zinc/15/02/06/952150206.db2.gz MZGRGYBKKOAFCN-VIFPVBQESA-N 0 1 386.382 1.316 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575143939 952159507 /nfs/dbraw/zinc/15/95/07/952159507.db2.gz SMRYLFPTUVXQEO-GOSISDBHSA-N 0 1 382.403 1.228 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575144282 952164834 /nfs/dbraw/zinc/16/48/34/952164834.db2.gz HOVBBJWKUNEVOS-HRAATJIYSA-N 0 1 389.463 1.720 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575144803 952172795 /nfs/dbraw/zinc/17/27/95/952172795.db2.gz LUWVOSRRTIJMGW-AWEZNQCLSA-N 0 1 377.452 1.674 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575145326 952181123 /nfs/dbraw/zinc/18/11/23/952181123.db2.gz VSXZKUZMVYBOKM-LJQANCHMSA-N 0 1 381.415 1.833 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575145656 952188247 /nfs/dbraw/zinc/18/82/47/952188247.db2.gz CHFINQLYPDZTPU-KGLIPLIRSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CCc2ccccc21 ZINC001575146403 952194342 /nfs/dbraw/zinc/19/43/42/952194342.db2.gz KCVVFCFOXROMHZ-CQSZACIVSA-N 0 1 392.467 1.005 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575146824 952196510 /nfs/dbraw/zinc/19/65/10/952196510.db2.gz OKGYGCSDMQKKQE-LLVKDONJSA-N 0 1 382.428 1.123 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575148243 952203849 /nfs/dbraw/zinc/20/38/49/952203849.db2.gz ZBJWRBNAWOPONL-LLVKDONJSA-N 0 1 387.394 1.463 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575188551 952449273 /nfs/dbraw/zinc/44/92/73/952449273.db2.gz JKJWSFHCVVOFDN-CHWSQXEVSA-N 0 1 383.431 1.618 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575195929 952474460 /nfs/dbraw/zinc/47/44/60/952474460.db2.gz DJWLLAMNEMVRGK-KBPBESRZSA-N 0 1 381.440 1.558 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1ccncc1-c1nn[nH]n1 ZINC001575196236 952475679 /nfs/dbraw/zinc/47/56/79/952475679.db2.gz GDEJTLAKNOVXOA-CXAGYDPISA-N 0 1 383.456 1.708 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575197278 952482052 /nfs/dbraw/zinc/48/20/52/952482052.db2.gz RNBCVEOGPOMSJD-MGPQQGTHSA-N 0 1 381.440 1.462 20 0 GDADMN O=C(c1ccccn1)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571118701 952489399 /nfs/dbraw/zinc/48/93/99/952489399.db2.gz YWEMCJIAGUWSFG-SJLPKXTDSA-N 0 1 375.436 1.608 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575201037 952500885 /nfs/dbraw/zinc/50/08/85/952500885.db2.gz MZTRZUCJPSDXJD-NEPJUHHUSA-N 0 1 384.419 1.303 20 0 GDADMN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCOC1 ZINC001571121971 952524215 /nfs/dbraw/zinc/52/42/15/952524215.db2.gz GPWMQEGGYVUYSY-YNEHKIRRSA-N 0 1 376.486 1.339 20 0 GDADMN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCOC1 ZINC001571121971 952524217 /nfs/dbraw/zinc/52/42/17/952524217.db2.gz GPWMQEGGYVUYSY-YNEHKIRRSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123079 952528091 /nfs/dbraw/zinc/52/80/91/952528091.db2.gz NWDAOHYVYFRAHA-MBNYWOFBSA-N 0 1 376.486 1.291 20 0 GDADMN C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571123079 952528096 /nfs/dbraw/zinc/52/80/96/952528096.db2.gz NWDAOHYVYFRAHA-MBNYWOFBSA-N 0 1 376.486 1.291 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123839 952531893 /nfs/dbraw/zinc/53/18/93/952531893.db2.gz WQVPZNABGLRGJV-KWCYVHTRSA-N 0 1 376.486 1.528 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123839 952531897 /nfs/dbraw/zinc/53/18/97/952531897.db2.gz WQVPZNABGLRGJV-KWCYVHTRSA-N 0 1 376.486 1.528 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571124122 952534237 /nfs/dbraw/zinc/53/42/37/952534237.db2.gz ZHIDAIUIFJPWII-OLZOCXBDSA-N 0 1 376.486 1.435 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571124122 952534241 /nfs/dbraw/zinc/53/42/41/952534241.db2.gz ZHIDAIUIFJPWII-OLZOCXBDSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H](Cc1cnn(C)c1)C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575207852 952536388 /nfs/dbraw/zinc/53/63/88/952536388.db2.gz UCTPJMLQKFCGRF-CQSZACIVSA-N 0 1 382.472 1.027 20 0 GDADMN Cc1cc(N2CCC(NC(=O)[C@H]3CCC3(F)F)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571124735 952544241 /nfs/dbraw/zinc/54/42/41/952544241.db2.gz SLZIHNFUNWWTLT-CYBMUJFWSA-N 0 1 377.399 1.700 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001575213615 952558763 /nfs/dbraw/zinc/55/87/63/952558763.db2.gz COZVJOROCPBMPL-NSHDSACASA-N 0 1 379.415 1.768 20 0 GDADMN O=C([C@@H]1CC12CC2)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571127882 952560666 /nfs/dbraw/zinc/56/06/66/952560666.db2.gz LJWXPRIIEFULJX-CIUDSAMLSA-N 0 1 377.861 1.566 20 0 GDADMN O=C(NCc1cccc2c1CC[N@@H+](CC1CC1)C2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571127922 952562067 /nfs/dbraw/zinc/56/20/67/952562067.db2.gz MUIFIXOVWTXXKM-UHFFFAOYSA-N 0 1 377.452 1.893 20 0 GDADMN O=C(Cc1ccccc1)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571128063 952562356 /nfs/dbraw/zinc/56/23/56/952562356.db2.gz OLPAMVOKVDWHHA-HOTGVXAUSA-N 0 1 377.452 1.623 20 0 GDADMN C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(C/C=C/c2ccccc2)C1 ZINC001571128475 952567584 /nfs/dbraw/zinc/56/75/84/952567584.db2.gz UHASCVRSFYSWIC-GPAKFWEMSA-N 0 1 377.452 1.958 20 0 GDADMN Cc1cncc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1 ZINC001571133993 952584049 /nfs/dbraw/zinc/58/40/49/952584049.db2.gz ATCVQCLUZKLHEY-CJNGLKHVSA-N 0 1 378.440 1.398 20 0 GDADMN Cc1cc(N(C)C2CCN(C(=O)c3cccnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134121 952586157 /nfs/dbraw/zinc/58/61/57/952586157.db2.gz ALJXYHZWBKBSJC-UHFFFAOYSA-N 0 1 378.440 1.706 20 0 GDADMN Cc1ccc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)nc1C ZINC001571134129 952586337 /nfs/dbraw/zinc/58/63/37/952586337.db2.gz FABARNCUZQQGCU-SJCJKPOMSA-N 0 1 378.440 1.268 20 0 GDADMN Cc1ccc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C)c1 ZINC001571134354 952590078 /nfs/dbraw/zinc/59/00/78/952590078.db2.gz HTXDGZSQUMYVKJ-IBGZPJMESA-N 0 1 378.440 1.672 20 0 GDADMN Cc1nccc(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571134454 952590971 /nfs/dbraw/zinc/59/09/71/952590971.db2.gz IHGYKRJAZPJPJG-INIZCTEOSA-N 0 1 378.440 1.360 20 0 GDADMN CCCc1ccccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571134969 952597625 /nfs/dbraw/zinc/59/76/25/952597625.db2.gz ODVRKXRBGLKJRI-AWEZNQCLSA-N 0 1 378.440 1.618 20 0 GDADMN CCCc1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571135233 952601618 /nfs/dbraw/zinc/60/16/18/952601618.db2.gz RRCPMFIMHOUBSG-AWEZNQCLSA-N 0 1 378.440 1.358 20 0 GDADMN Cc1cc(C(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571135348 952602253 /nfs/dbraw/zinc/60/22/53/952602253.db2.gz UMHBFKVBAHZNGZ-UHFFFAOYSA-N 0 1 378.440 1.316 20 0 GDADMN Cc1cc(N2CC[C@H](N(C)C(=O)Cc3cccnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135551 952606162 /nfs/dbraw/zinc/60/61/62/952606162.db2.gz WJTSJMRSWSXNHH-HNNXBMFYSA-N 0 1 378.440 1.245 20 0 GDADMN Cc1c[nH]cc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571148213 952665556 /nfs/dbraw/zinc/66/55/56/952665556.db2.gz VOPLBLQAXAIUQO-ZIAGYGMSSA-N 0 1 379.428 1.177 20 0 GDADMN Cc1nc[nH]c1C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571152064 952681093 /nfs/dbraw/zinc/68/10/93/952681093.db2.gz CHFYQKHCYFDBQX-ZETCQYMHSA-N 0 1 379.837 1.017 20 0 GDADMN O=C(N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)C1CC2(CC2)C1 ZINC001571152248 952681997 /nfs/dbraw/zinc/68/19/97/952681997.db2.gz FYZOLELAVUGHML-VIFPVBQESA-N 0 1 379.877 1.862 20 0 GDADMN CC(C)CN1CCO[C@@H](CNC(=O)NCc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571152912 952684342 /nfs/dbraw/zinc/68/43/42/952684342.db2.gz KWWDTDUKODWUPB-LBPRGKRZSA-N 0 1 379.490 1.084 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cc(C)n1 ZINC001571156740 952704981 /nfs/dbraw/zinc/70/49/81/952704981.db2.gz IKJLZAYUZUVZGS-CQSZACIVSA-N 0 1 379.428 1.019 20 0 GDADMN Cc1cnc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C)c1 ZINC001571159723 952722243 /nfs/dbraw/zinc/72/22/43/952722243.db2.gz VVIDJQVZSQAAQI-ZDUSSCGKSA-N 0 1 379.428 1.067 20 0 GDADMN O=C(c1cc(C2CC2)no1)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571160510 952725955 /nfs/dbraw/zinc/72/59/55/952725955.db2.gz IOOITXRECMMQEK-GFCCVEGCSA-N 0 1 380.412 1.266 20 0 GDADMN O=C(c1ocnc1C1CC1)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571162380 952743283 /nfs/dbraw/zinc/74/32/83/952743283.db2.gz SJHILYXRAOKJDM-GFCCVEGCSA-N 0 1 380.412 1.266 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccn(C)c2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571167126 952769923 /nfs/dbraw/zinc/76/99/23/952769923.db2.gz WBWJLSPBKXMRJC-ZIAGYGMSSA-N 0 1 380.456 1.232 20 0 GDADMN Cc1cc(C)c(C(=O)NC[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)[nH]1 ZINC001571169866 952779673 /nfs/dbraw/zinc/77/96/73/952779673.db2.gz PMCIAEFXSIEETF-AWEZNQCLSA-N 0 1 380.456 1.771 20 0 GDADMN Cc1ccn(C)c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571170883 952790029 /nfs/dbraw/zinc/79/00/29/952790029.db2.gz YPUYMFRXANWLDR-KBPBESRZSA-N 0 1 380.456 1.436 20 0 GDADMN O=C([C@H]1CC12CCC2)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571171549 952794067 /nfs/dbraw/zinc/79/40/67/952794067.db2.gz BTDJNWCYBNNAHC-FZKQIMNGSA-N 0 1 380.456 1.276 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)[C@H]2C)no1 ZINC001571179353 952851593 /nfs/dbraw/zinc/85/15/93/952851593.db2.gz BQVSZGZTWNEZQB-XJKSGUPXSA-N 0 1 381.440 1.946 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)no1 ZINC001571179349 952852353 /nfs/dbraw/zinc/85/23/53/952852353.db2.gz BQVSZGZTWNEZQB-CJNGLKHVSA-N 0 1 381.440 1.946 20 0 GDADMN Cc1cc(N2C[C@H](NC(=O)Cc3ccoc3)CC[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180437 952858795 /nfs/dbraw/zinc/85/87/95/952858795.db2.gz OLRYQPGEIDVQLA-UKRRQHHQSA-N 0 1 381.440 1.879 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCCN(Cc2ccc(CO)cc2)CC1 ZINC001571181346 952862930 /nfs/dbraw/zinc/86/29/30/952862930.db2.gz UNEGXSLABNZTGY-UHFFFAOYSA-N 0 1 381.440 1.035 20 0 GDADMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccoc1 ZINC001571182969 952871797 /nfs/dbraw/zinc/87/17/97/952871797.db2.gz LAFRZVPKCWRAPM-HIFRSBDPSA-N 0 1 381.440 1.701 20 0 GDADMN CC[C@H]1CN(C(=O)c2cc(C)[nH]n2)CC[C@@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001571184364 952892220 /nfs/dbraw/zinc/89/22/20/952892220.db2.gz XOMUMCCJWJYIBS-JSGCOSHPSA-N 0 1 381.444 1.646 20 0 GDADMN Cc1cc(C(=O)N2C[C@@H](CNc3ccc(-c4nn[nH]n4)c(C)n3)[C@H](C)C2)n[nH]1 ZINC001571188429 952914984 /nfs/dbraw/zinc/91/49/84/952914984.db2.gz KPWUDWULUDVNCB-ZWNOBZJWSA-N 0 1 381.444 1.422 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3cnn(C(C)C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189070 952923578 /nfs/dbraw/zinc/92/35/78/952923578.db2.gz RKNBUVFQANFLAF-AWEZNQCLSA-N 0 1 381.444 1.356 20 0 GDADMN Cc1cc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)ncn1 ZINC001571189573 952930342 /nfs/dbraw/zinc/93/03/42/952930342.db2.gz XNRBSQNJFHWVEN-CHWSQXEVSA-N 0 1 381.444 1.076 20 0 GDADMN Cc1c(F)cccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571196714 952982894 /nfs/dbraw/zinc/98/28/94/952982894.db2.gz MRQNNPWCWSDUSN-RISCZKNCSA-N 0 1 382.403 1.241 20 0 GDADMN O=C([C@@H](F)c1ccccc1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571197169 952987664 /nfs/dbraw/zinc/98/76/64/952987664.db2.gz TUVUDWSKXJHPHZ-ZFWWWQNUSA-N 0 1 382.403 1.192 20 0 GDADMN CCc1nc(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)c(C)o1 ZINC001571198788 952994170 /nfs/dbraw/zinc/99/41/70/952994170.db2.gz GNQITZBMKXZFHQ-UHFFFAOYSA-N 0 1 382.428 1.519 20 0 GDADMN CCc1ncoc1C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571199618 953002293 /nfs/dbraw/zinc/00/22/93/953002293.db2.gz WQXQJNKGSQCICP-GFCCVEGCSA-N 0 1 382.428 1.341 20 0 GDADMN Cc1conc1C(=O)N[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571201081 953013719 /nfs/dbraw/zinc/01/37/19/953013719.db2.gz JJYGBZQCKGCSKD-GXTWGEPZSA-N 0 1 382.428 1.299 20 0 GDADMN Cc1cc(CN2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(-c3nn[nH]n3)c2)on1 ZINC001571201090 953015211 /nfs/dbraw/zinc/01/52/11/953015211.db2.gz JQVITKFTBSKNIG-CVEARBPZSA-N 0 1 382.428 1.370 20 0 GDADMN Cc1cnoc1C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571202537 953026825 /nfs/dbraw/zinc/02/68/25/953026825.db2.gz UPCLSPIBFVUXFB-QWHCGFSZSA-N 0 1 382.428 1.190 20 0 GDADMN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001571210424 953072159 /nfs/dbraw/zinc/07/21/59/953072159.db2.gz RJYFRNDMNYULDI-LBPRGKRZSA-N 0 1 382.465 1.405 20 0 GDADMN C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571214452 953102488 /nfs/dbraw/zinc/10/24/88/953102488.db2.gz YSYCOAQEHUMGJB-SMDDNHRTSA-N 0 1 382.472 1.164 20 0 GDADMN COc1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1F ZINC001571216635 953102988 /nfs/dbraw/zinc/10/29/88/953102988.db2.gz AINPGFXIPMQPMD-GFCCVEGCSA-N 0 1 383.387 1.158 20 0 GDADMN O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1cccc(-c2nn[nH]n2)c1Cl ZINC001571217353 953106997 /nfs/dbraw/zinc/10/69/97/953106997.db2.gz FWMDYEZWNSKNRH-LLVKDONJSA-N 0 1 382.877 1.283 20 0 GDADMN COc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1F ZINC001571217360 953108342 /nfs/dbraw/zinc/10/83/42/953108342.db2.gz IORMEDIBUHCPIG-HAQNSBGRSA-N 0 1 383.387 1.204 20 0 GDADMN O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CCCCC1 ZINC001571218827 953119493 /nfs/dbraw/zinc/11/94/93/953119493.db2.gz RSKUDOFXKAFJJB-LIRRHRJNSA-N 0 1 382.472 1.855 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC34CCOCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233329 953191824 /nfs/dbraw/zinc/19/18/24/953191824.db2.gz RXUHWIRYLKYWJF-ZFWWWQNUSA-N 0 1 383.456 1.082 20 0 GDADMN CC(C)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001571234204 953199570 /nfs/dbraw/zinc/19/95/70/953199570.db2.gz PNRQNWVASKWVMN-KRWDZBQOSA-N 0 1 383.500 1.241 20 0 GDADMN O=C(C[C@H]1CCOC1)N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571235322 953211664 /nfs/dbraw/zinc/21/16/64/953211664.db2.gz ZXPDTBBBHZKMEB-HLTSFMKQSA-N 0 1 383.865 1.462 20 0 GDADMN Cc1ccsc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571244708 953266508 /nfs/dbraw/zinc/26/65/08/953266508.db2.gz FVDVQVPWBAIMNY-VXGBXAGGSA-N 0 1 384.469 1.602 20 0 GDADMN Cc1ncc(C(=O)NC[C@@H]2CCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)s1 ZINC001571245149 953270351 /nfs/dbraw/zinc/27/03/51/953270351.db2.gz OTCVNVMAQSSKDR-LBPRGKRZSA-N 0 1 384.469 1.734 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571245912 953278603 /nfs/dbraw/zinc/27/86/03/953278603.db2.gz OLAVLLIPJFUFCX-RISCZKNCSA-N 0 1 384.469 1.501 20 0 GDADMN CO[C@@H](C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001571247554 953283561 /nfs/dbraw/zinc/28/35/61/953283561.db2.gz AFNQVWUPXFMEBX-GOSISDBHSA-N 0 1 384.484 1.716 20 0 GDADMN O=C(Cc1ccsc1)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571248751 953297039 /nfs/dbraw/zinc/29/70/39/953297039.db2.gz ZDKYBRNZKBETQF-YPMHNXCESA-N 0 1 384.469 1.080 20 0 GDADMN CC[C@H](OC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571248781 953297243 /nfs/dbraw/zinc/29/72/43/953297243.db2.gz ZYDFEZXUPUBITB-PXNSSMCTSA-N 0 1 384.484 1.716 20 0 GDADMN C[C@@H]1CCCN(C(=O)CCC2CCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571249140 953301570 /nfs/dbraw/zinc/30/15/70/953301570.db2.gz DTYWAQOMCPGUTA-HIFRSBDPSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571249133 953301805 /nfs/dbraw/zinc/30/18/05/953301805.db2.gz DQVPUKURKKGPMT-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](N(C)C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001571252009 953321590 /nfs/dbraw/zinc/32/15/90/953321590.db2.gz FBFJEFMIUAGSSY-HOCLYGCPSA-N 0 1 384.488 1.092 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](N(C)C(=O)[C@H]3CCCCN3C)C2)n1 ZINC001571252008 953321608 /nfs/dbraw/zinc/32/16/08/953321608.db2.gz FBFJEFMIUAGSSY-GOEBONIOSA-N 0 1 384.488 1.092 20 0 GDADMN C[N@H+](CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1)C1CCC1 ZINC001571251946 953321682 /nfs/dbraw/zinc/32/16/82/953321682.db2.gz CJYFCQFANSRAMZ-UHFFFAOYSA-N 0 1 384.488 1.539 20 0 GDADMN C[N@@H+](CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1)C1CCC1 ZINC001571251946 953321686 /nfs/dbraw/zinc/32/16/86/953321686.db2.gz CJYFCQFANSRAMZ-UHFFFAOYSA-N 0 1 384.488 1.539 20 0 GDADMN 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MTWLRLVXFFDXRA-GJZGRUSLSA-N 0 1 396.488 1.630 20 0 GDADMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(C(=O)[O-])ccc3OC)C2)n1 ZINC001597748398 989131162 /nfs/dbraw/zinc/13/11/62/989131162.db2.gz JXHMKLNJUKAIBQ-LJQANCHMSA-N 0 1 375.425 1.908 20 0 GDADMN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CC[N@@H+](CCCCC(=O)[O-])C1 ZINC001590098506 989231641 /nfs/dbraw/zinc/23/16/41/989231641.db2.gz ZSRBKQQTCJGNKZ-KFWWJZLASA-N 0 1 397.472 1.756 20 0 GDADMN C[C@@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001599865104 989236495 /nfs/dbraw/zinc/23/64/95/989236495.db2.gz UUCLXGCTDJLRPR-CQSZACIVSA-N 0 1 382.482 1.400 20 0 GDADMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001599865104 989236504 /nfs/dbraw/zinc/23/65/04/989236504.db2.gz UUCLXGCTDJLRPR-CQSZACIVSA-N 0 1 382.482 1.400 20 0 GDADMN CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001590185494 989542508 /nfs/dbraw/zinc/54/25/08/989542508.db2.gz RUEJPYFXJIZJGQ-CJNGLKHVSA-N 0 1 380.441 1.782 20 0 GDADMN CN(C(=O)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1C(=O)[O-] ZINC001598022518 990215490 /nfs/dbraw/zinc/21/54/90/990215490.db2.gz HPFLFOJNBUOYDL-INIZCTEOSA-N 0 1 375.469 1.438 20 0 GDADMN CC(C)(CNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)CC(=O)[O-] ZINC001590723336 990504341 /nfs/dbraw/zinc/50/43/41/990504341.db2.gz XWQMSMXXBAASHL-UHFFFAOYSA-N 0 1 380.464 1.748 20 0 GDADMN CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1nc(CC(=O)[O-])cs1)c1cccnc1 ZINC001590780054 990592099 /nfs/dbraw/zinc/59/20/99/990592099.db2.gz ZGMMZVZNPUAMNX-OAHLLOKOSA-N 0 1 378.454 1.453 20 0 GDADMN C[NH+](C)[C@@]1(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])COc2ccccc2C1 ZINC001598175770 990725774 /nfs/dbraw/zinc/72/57/74/990725774.db2.gz IAQXXBOPTMETCS-RDTXWAMCSA-N 0 1 375.450 1.191 20 0 GDADMN CN(C)CC[NH+]1CCC(NC(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)CC1 ZINC001598231151 990937896 /nfs/dbraw/zinc/93/78/96/990937896.db2.gz NQIIEKZFIHTOPM-UHFFFAOYSA-N 0 1 393.488 1.288 20 0 GDADMN CC(C)[C@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)c1nc(C2CC2)no1 ZINC001591007922 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DUDREEACBFFXPP-ZWKOTPCHSA-N 0 1 387.480 1.290 20 0 GDADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598461189 991955070 /nfs/dbraw/zinc/95/50/70/991955070.db2.gz DUDREEACBFFXPP-ROUUACIJSA-N 0 1 387.480 1.290 20 0 GDADMN C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC001598478027 992106288 /nfs/dbraw/zinc/10/62/88/992106288.db2.gz IIMJBZGFBUNHSF-FMNVXAMXSA-N 0 1 377.466 1.426 20 0 GDADMN CS(=O)(=O)c1cc(C(=O)[O-])ccc1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001599766363 992188489 /nfs/dbraw/zinc/18/84/89/992188489.db2.gz UNKGAQGEUIDOKL-UHFFFAOYSA-N 0 1 386.389 1.621 20 0 GDADMN C[N@@H+](CCNC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)CC(=O)[O-] ZINC001598492231 992312537 /nfs/dbraw/zinc/31/25/37/992312537.db2.gz HBJYDDIXFKTSKK-UHFFFAOYSA-N 0 1 386.445 1.288 20 0 GDADMN C[N@@H+](CCNC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)CC(=O)[O-] ZINC001598493240 992333160 /nfs/dbraw/zinc/33/31/60/992333160.db2.gz SWUXBCLMVLHTEP-UHFFFAOYSA-N 0 1 377.441 1.730 20 0 GDADMN 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ZINC000822004137 607073235 /nfs/dbraw/zinc/07/32/35/607073235.db2.gz AZVOYGIXZICNEK-GOEBONIOSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000822004137 607073236 /nfs/dbraw/zinc/07/32/36/607073236.db2.gz AZVOYGIXZICNEK-GOEBONIOSA-N 0 1 399.499 1.459 20 0 GDADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccnn1-c1cc[nH+]cc1 ZINC000822154204 607122321 /nfs/dbraw/zinc/12/23/21/607122321.db2.gz UGYJUZHTMUDQAJ-UHFFFAOYSA-N 0 1 382.409 1.557 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000823123230 607207647 /nfs/dbraw/zinc/20/76/47/607207647.db2.gz TWKUSTXEDAFQFZ-NSHDSACASA-N 0 1 379.384 1.006 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(CCc1ccccc1)Cc1cccnc1 ZINC000823122521 607212781 /nfs/dbraw/zinc/21/27/81/607212781.db2.gz DWASAZIZDBKYJQ-UHFFFAOYSA-N 0 1 389.423 1.125 20 0 GDADMN Cc1cc(C)cc(-c2nnc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)s2)c1 ZINC000822196796 607217409 /nfs/dbraw/zinc/21/74/09/607217409.db2.gz XEJLWOAGZAJJAV-UHFFFAOYSA-N 0 1 382.413 1.232 20 0 GDADMN Cc1cc(OCc2ccccc2)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822211949 607217421 /nfs/dbraw/zinc/21/74/21/607217421.db2.gz VHVGCOOQRCWBLT-UHFFFAOYSA-N 0 1 390.407 1.984 20 0 GDADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OCC(F)(F)F)c1 ZINC000822237239 607222177 /nfs/dbraw/zinc/22/21/77/607222177.db2.gz LARDAVDBZZYOCY-UHFFFAOYSA-N 0 1 396.333 1.024 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000823126045 607223236 /nfs/dbraw/zinc/22/32/36/607223236.db2.gz GEGINCABZCFYGZ-MRXNPFEDSA-N 0 1 378.371 1.503 20 0 GDADMN C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(Cn2ccnn2)CC1 ZINC000824045086 607801357 /nfs/dbraw/zinc/80/13/57/607801357.db2.gz FYCJAXKYPUCPRZ-ZDUSSCGKSA-N 0 1 381.444 1.197 20 0 GDADMN O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCN1c1sccc1-c1nn[n-]n1 ZINC000826476572 607818180 /nfs/dbraw/zinc/81/81/80/607818180.db2.gz KNVJAWOURFGRQS-ZRJCITRHSA-N 0 1 386.481 1.581 20 0 GDADMN O=C1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCN1c1sccc1-c1nn[n-]n1 ZINC000826476569 607818375 /nfs/dbraw/zinc/81/83/75/607818375.db2.gz KNVJAWOURFGRQS-ASEORRQLSA-N 0 1 386.481 1.581 20 0 GDADMN C[C@H](O)CN(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000824707760 607827661 /nfs/dbraw/zinc/82/76/61/607827661.db2.gz VPHKKHNJADVYJT-AWEZNQCLSA-N 0 1 393.513 1.656 20 0 GDADMN Clc1ccc2ncc(-c3nn[nH]n3)c(N3CCN([C@@H]4CCOC4)CC3)c2c1 ZINC000826352962 607849056 /nfs/dbraw/zinc/84/90/56/607849056.db2.gz VURBKBPHVMWQEC-CYBMUJFWSA-N 0 1 385.859 1.979 20 0 GDADMN Cc1cc(OC[C@@H](O)Cn2cnc(-c3nn[nH]n3)n2)c(C(C)C)cc1Cl ZINC000826271823 607869109 /nfs/dbraw/zinc/86/91/09/607869109.db2.gz JCVYXRQTJUXDMQ-NSHDSACASA-N 0 1 377.836 1.983 20 0 GDADMN CN1CC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC000826029592 607973359 /nfs/dbraw/zinc/97/33/59/607973359.db2.gz UMXSDDAXURBTCX-ROUUACIJSA-N 0 1 398.492 1.732 20 0 GDADMN CN1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1ccccc1 ZINC000826028497 607982771 /nfs/dbraw/zinc/98/27/71/607982771.db2.gz BJLPTBXXWDMPSP-IRXDYDNUSA-N 0 1 391.435 1.367 20 0 GDADMN C[C@H]1CCCN(CCNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000824945394 608002210 /nfs/dbraw/zinc/00/22/10/608002210.db2.gz CHHPPRWHVIILHS-LBPRGKRZSA-N 0 1 382.465 1.157 20 0 GDADMN CC[C@H](OC1CCCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825153720 608019293 /nfs/dbraw/zinc/01/92/93/608019293.db2.gz ISXYASVAPCSBNX-AWEZNQCLSA-N 0 1 390.492 1.808 20 0 GDADMN CC[C@H](OC1CCCCC1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825153720 608019294 /nfs/dbraw/zinc/01/92/94/608019294.db2.gz ISXYASVAPCSBNX-AWEZNQCLSA-N 0 1 390.492 1.808 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826077857 608019935 /nfs/dbraw/zinc/01/99/35/608019935.db2.gz XSYQWOCOCUUDHW-UONOGXRCSA-N 0 1 380.456 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826077857 608019936 /nfs/dbraw/zinc/01/99/36/608019936.db2.gz XSYQWOCOCUUDHW-UONOGXRCSA-N 0 1 380.456 1.559 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1-c1nnn[n-]1 ZINC000826077804 608020043 /nfs/dbraw/zinc/02/00/43/608020043.db2.gz WKRIVZWSPNSLPJ-JLTOFOAXSA-N 0 1 392.467 1.584 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1-c1nn[n-]n1 ZINC000826077804 608020044 /nfs/dbraw/zinc/02/00/44/608020044.db2.gz WKRIVZWSPNSLPJ-JLTOFOAXSA-N 0 1 392.467 1.584 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826073539 608020278 /nfs/dbraw/zinc/02/02/78/608020278.db2.gz WNFDINZDULEYGZ-SNVBAGLBSA-N 0 1 388.407 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826073539 608020279 /nfs/dbraw/zinc/02/02/79/608020279.db2.gz WNFDINZDULEYGZ-SNVBAGLBSA-N 0 1 388.407 1.287 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cn(C)c3ccccc23)c1-c1nnn[n-]1 ZINC000826077182 608021756 /nfs/dbraw/zinc/02/17/56/608021756.db2.gz CTNTVLICCWRQMZ-UHFFFAOYSA-N 0 1 393.455 1.415 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cn(C)c3ccccc23)c1-c1nn[n-]n1 ZINC000826077182 608021757 /nfs/dbraw/zinc/02/17/57/608021757.db2.gz CTNTVLICCWRQMZ-UHFFFAOYSA-N 0 1 393.455 1.415 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c1-c1nnn[n-]1 ZINC000826077611 608022091 /nfs/dbraw/zinc/02/20/91/608022091.db2.gz OJAYLNSNHIXUFM-QWRGUYRKSA-N 0 1 386.485 1.854 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)c1-c1nn[n-]n1 ZINC000826077611 608022092 /nfs/dbraw/zinc/02/20/92/608022092.db2.gz OJAYLNSNHIXUFM-QWRGUYRKSA-N 0 1 386.485 1.854 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(C(C)(C)C)c2C)c1-c1nnn[n-]1 ZINC000826083740 608022297 /nfs/dbraw/zinc/02/22/97/608022297.db2.gz PHARWRJVWGVWJT-UHFFFAOYSA-N 0 1 386.464 1.254 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(C(C)(C)C)c2C)c1-c1nn[n-]n1 ZINC000826083740 608022298 /nfs/dbraw/zinc/02/22/98/608022298.db2.gz PHARWRJVWGVWJT-UHFFFAOYSA-N 0 1 386.464 1.254 20 0 GDADMN C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)c1ccc[nH]1 ZINC000824491569 608024213 /nfs/dbraw/zinc/02/42/13/608024213.db2.gz VAOQYEVEHFDZTB-LLVKDONJSA-N 0 1 397.443 1.653 20 0 GDADMN CCOc1ccccc1OCC[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825658852 608034489 /nfs/dbraw/zinc/03/44/89/608034489.db2.gz KVZSKABPDYCHRP-UHFFFAOYSA-N 0 1 386.460 1.514 20 0 GDADMN CCOc1ccccc1OCC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825658852 608034490 /nfs/dbraw/zinc/03/44/90/608034490.db2.gz KVZSKABPDYCHRP-UHFFFAOYSA-N 0 1 386.460 1.514 20 0 GDADMN CCOc1ccccc1OCC[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825658852 608034491 /nfs/dbraw/zinc/03/44/91/608034491.db2.gz KVZSKABPDYCHRP-UHFFFAOYSA-N 0 1 386.460 1.514 20 0 GDADMN CCOc1ccccc1OCC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825658852 608034492 /nfs/dbraw/zinc/03/44/92/608034492.db2.gz KVZSKABPDYCHRP-UHFFFAOYSA-N 0 1 386.460 1.514 20 0 GDADMN C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CC[C@H](C3CC3)C2)C1=O ZINC000824843580 608109857 /nfs/dbraw/zinc/10/98/57/608109857.db2.gz GYGNMBUZRKEBLB-LIRRHRJNSA-N 0 1 381.440 1.323 20 0 GDADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000824047129 608131222 /nfs/dbraw/zinc/13/12/22/608131222.db2.gz XWJLFJWITBIQRI-HIFRSBDPSA-N 0 1 386.456 1.669 20 0 GDADMN O=C(C[N@@H+]1CC[C@H](C2CC2)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826410429 608171269 /nfs/dbraw/zinc/17/12/69/608171269.db2.gz MZGDPTMLXFEQHI-AWEZNQCLSA-N 0 1 378.440 1.723 20 0 GDADMN O=C(C[N@H+]1CC[C@H](C2CC2)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826410429 608171270 /nfs/dbraw/zinc/17/12/70/608171270.db2.gz MZGDPTMLXFEQHI-AWEZNQCLSA-N 0 1 378.440 1.723 20 0 GDADMN O=C([C@H]1CC12CC[NH+](Cc1ccnc(-c3nnn[n-]3)c1)CC2)N1CCCCC1 ZINC000826397522 608212472 /nfs/dbraw/zinc/21/24/72/608212472.db2.gz FTQJVEJOAMCHRB-MRXNPFEDSA-N 0 1 381.484 1.876 20 0 GDADMN O=C([C@H]1CC12CC[NH+](Cc1ccnc(-c3nn[n-]n3)c1)CC2)N1CCCCC1 ZINC000826397522 608212473 /nfs/dbraw/zinc/21/24/73/608212473.db2.gz FTQJVEJOAMCHRB-MRXNPFEDSA-N 0 1 381.484 1.876 20 0 GDADMN Cc1oc(NC(=O)CN[C@]2(CO)CCc3ccccc32)c(-c2nn[nH]n2)c1C ZINC000826341875 608253863 /nfs/dbraw/zinc/25/38/63/608253863.db2.gz RURIVFMENPWWQG-IBGZPJMESA-N 0 1 382.424 1.439 20 0 GDADMN CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C[C@@H]1C ZINC000825444999 608253878 /nfs/dbraw/zinc/25/38/78/608253878.db2.gz UKRKXHMTHYNZES-VHSXEESVSA-N 0 1 377.474 1.244 20 0 GDADMN CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@@H]1C ZINC000825444999 608253879 /nfs/dbraw/zinc/25/38/79/608253879.db2.gz UKRKXHMTHYNZES-VHSXEESVSA-N 0 1 377.474 1.244 20 0 GDADMN CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C[C@@H]1C ZINC000825444999 608253882 /nfs/dbraw/zinc/25/38/82/608253882.db2.gz UKRKXHMTHYNZES-VHSXEESVSA-N 0 1 377.474 1.244 20 0 GDADMN C[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)C[C@H]1C ZINC000824954863 608268797 /nfs/dbraw/zinc/26/87/97/608268797.db2.gz LLLCSAXEEGYNOQ-UONOGXRCSA-N 0 1 383.456 1.566 20 0 GDADMN Cc1nn(-c2ccccc2)c(CN2CCC[C@@H](n3cncn3)C2)c1-c1nn[nH]n1 ZINC000826332503 608313652 /nfs/dbraw/zinc/31/36/52/608313652.db2.gz WJQKIHZOYQSWBI-MRXNPFEDSA-N 0 1 390.455 1.789 20 0 GDADMN O=C(CN1CCC[C@@H](C[C@@H]2CCOC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410787 608326395 /nfs/dbraw/zinc/32/63/95/608326395.db2.gz YNWKNZNSHLZJGD-IRXDYDNUSA-N 0 1 384.484 1.622 20 0 GDADMN O=C(CN1CCC[C@@H](C[C@H]2CCOC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410785 608326965 /nfs/dbraw/zinc/32/69/65/608326965.db2.gz YNWKNZNSHLZJGD-DLBZAZTESA-N 0 1 384.484 1.622 20 0 GDADMN CCN1CCCC[C@H]1CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825460454 608331781 /nfs/dbraw/zinc/33/17/81/608331781.db2.gz XTWJGYZQVOMGFD-AWEZNQCLSA-N 0 1 382.465 1.300 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000826169381 608361756 /nfs/dbraw/zinc/36/17/56/608361756.db2.gz QQHPWZQODJERRT-GOSISDBHSA-N 0 1 385.516 1.477 20 0 GDADMN CCCc1nc([C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3OC)CCO2)n[nH]1 ZINC000825352825 608365898 /nfs/dbraw/zinc/36/58/98/608365898.db2.gz QUMKSIUWBWUDLA-HNNXBMFYSA-N 0 1 384.444 1.519 20 0 GDADMN CCCc1n[nH]c([C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3OC)CCO2)n1 ZINC000825352825 608365899 /nfs/dbraw/zinc/36/58/99/608365899.db2.gz QUMKSIUWBWUDLA-HNNXBMFYSA-N 0 1 384.444 1.519 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000826168919 608375332 /nfs/dbraw/zinc/37/53/32/608375332.db2.gz CFAMDLDENXXPGX-IAGOWNOFSA-N 0 1 383.456 1.697 20 0 GDADMN O=C(NOC1CCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826450007 608427223 /nfs/dbraw/zinc/42/72/23/608427223.db2.gz SMZQJRMWLDSPGM-UHFFFAOYSA-N 0 1 388.432 1.438 20 0 GDADMN CC(C)(C)CNC(=O)C(C)(C)NCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824094467 608458162 /nfs/dbraw/zinc/45/81/62/608458162.db2.gz WEZAOOKJFYBLOH-UHFFFAOYSA-N 0 1 387.488 1.013 20 0 GDADMN C[C@@H](NCC(=O)N1CCN(Cc2ccco2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554561 608460350 /nfs/dbraw/zinc/46/03/50/608460350.db2.gz QLUUWSJDMZQZAI-OAHLLOKOSA-N 0 1 395.467 1.455 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388.295 1.837 20 0 GDADMN CCOC(=O)C1([C@H](C)NC(=O)CSc2n[nH]c(=S)s2)CCOCC1 ZINC000888346354 657891738 /nfs/dbraw/zinc/89/17/38/657891738.db2.gz CLXGQCWKDKMDSL-VIFPVBQESA-N 0 1 391.540 1.784 20 0 GDADMN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1n[nH]c(C)n1 ZINC000889710213 658018588 /nfs/dbraw/zinc/01/85/88/658018588.db2.gz JEKOIFUQURSWPL-CYBMUJFWSA-N 0 1 381.889 1.934 20 0 GDADMN Cc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)n[nH]1 ZINC000889708518 658018752 /nfs/dbraw/zinc/01/87/52/658018752.db2.gz BTUFJIYKEWXBNW-SNVBAGLBSA-N 0 1 378.230 1.545 20 0 GDADMN CC(C)n1ncc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1Br ZINC000889743915 658026078 /nfs/dbraw/zinc/02/60/78/658026078.db2.gz RJQVMCOTQHUYHR-ZIAGYGMSSA-N 0 1 385.306 1.898 20 0 GDADMN O=C(CCc1nn[nH]n1)N1CCOc2c(Cl)cc(Br)cc2C1 ZINC000889863789 658063129 /nfs/dbraw/zinc/06/31/29/658063129.db2.gz HPGKJNFQGCOWAO-UHFFFAOYSA-N 0 1 386.637 1.969 20 0 GDADMN O=C(CSc1n[nH]c(=S)s1)N1CCOC[C@H]1CC1CCOCC1 ZINC000890801504 658151157 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CCc1ncc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)s1 ZINC001571294319 946132177 /nfs/dbraw/zinc/13/21/77/946132177.db2.gz FJWKGFKUJPRYHC-JTQLQIEISA-N 0 1 389.510 1.951 20 0 GDADMN Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571298681 946225653 /nfs/dbraw/zinc/22/56/53/946225653.db2.gz CFBSRULXPQSNIU-RAIGVLPGSA-N 0 1 390.517 1.280 20 0 GDADMN Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571298681 946225662 /nfs/dbraw/zinc/22/56/62/946225662.db2.gz CFBSRULXPQSNIU-RAIGVLPGSA-N 0 1 390.517 1.280 20 0 GDADMN O=C(N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C1(c2ccccn2)CC1 ZINC001571299125 946241501 /nfs/dbraw/zinc/24/15/01/946241501.db2.gz UNWRABZDNCXOBM-AWEZNQCLSA-N 0 1 390.451 1.213 20 0 GDADMN CC1CC(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571299420 946248970 /nfs/dbraw/zinc/24/89/70/946248970.db2.gz QNUPMMYQUGXFRT-DOKCXDJRSA-N 0 1 390.451 1.319 20 0 GDADMN Cc1nsc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299680 946259056 /nfs/dbraw/zinc/25/90/56/946259056.db2.gz ONQMXJRSERFUJH-FRRDWIJNSA-N 0 1 390.517 1.057 20 0 GDADMN Cc1nsc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299680 946259068 /nfs/dbraw/zinc/25/90/68/946259068.db2.gz ONQMXJRSERFUJH-FRRDWIJNSA-N 0 1 390.517 1.057 20 0 GDADMN CCO[C@H]1C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571299757 946260972 /nfs/dbraw/zinc/26/09/72/946260972.db2.gz PQTIKFNNIQJZIA-CABCVRRESA-N 0 1 390.513 1.681 20 0 GDADMN CCO[C@H]1C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571299757 946260981 /nfs/dbraw/zinc/26/09/81/946260981.db2.gz PQTIKFNNIQJZIA-CABCVRRESA-N 0 1 390.513 1.681 20 0 GDADMN O=C(NCC1CC(Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1ccncc1 ZINC001571300212 946274877 /nfs/dbraw/zinc/27/48/77/946274877.db2.gz WYOCBVPAUSCUKK-UHFFFAOYSA-N 0 1 390.860 1.992 20 0 GDADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@@H]1CNCc1nccn1C(F)F ZINC001571302421 946303791 /nfs/dbraw/zinc/30/37/91/946303791.db2.gz XIEOQAHTHMZSMZ-LLVKDONJSA-N 0 1 391.386 1.181 20 0 GDADMN O=C(c1cnccn1)N1CCC[C@@H]1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571306046 946385832 /nfs/dbraw/zinc/38/58/32/946385832.db2.gz ONCSYPFMQZBQJD-MRVPVSSYSA-N 0 1 391.848 1.483 20 0 GDADMN C[C@H]1CN(C(=O)CC2CC(F)(F)C2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571309024 946440186 /nfs/dbraw/zinc/44/01/86/946440186.db2.gz WBHWHJVOLYCEHT-JQWIXIFHSA-N 0 1 392.414 1.163 20 0 GDADMN O=C(C[C@@H]1CCCC1(F)F)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571309969 946460114 /nfs/dbraw/zinc/46/01/14/946460114.db2.gz QUKYXIDBYOUFBU-NWDGAFQWSA-N 0 1 392.414 1.567 20 0 GDADMN COCc1ccccc1C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571310780 946477182 /nfs/dbraw/zinc/47/71/82/946477182.db2.gz MTADPMPPFUNGCU-UHFFFAOYSA-N 0 1 392.463 1.875 20 0 GDADMN CCc1cncc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571313053 946509946 /nfs/dbraw/zinc/50/99/46/946509946.db2.gz IVUZTQXAFHAXIW-FZNQNYSPSA-N 0 1 392.467 1.570 20 0 GDADMN Cc1cc(NC[C@H]2CC[C@H](NC(=O)c3ccncc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315144 946548399 /nfs/dbraw/zinc/54/83/99/946548399.db2.gz GSBILOGXSQFCQI-GJZGRUSLSA-N 0 1 392.467 1.706 20 0 GDADMN Cc1nnccc1C(=O)N[C@@H]1CC[C@H](C)N(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316753 946588164 /nfs/dbraw/zinc/58/81/64/946588164.db2.gz LMEIMOKXHYHKBR-SUMWQHHRSA-N 0 1 392.467 1.748 20 0 GDADMN Cn1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2-c2nn[nH]n2)n1 ZINC001571317019 946596193 /nfs/dbraw/zinc/59/61/93/946596193.db2.gz RYXNXKSATJZPQU-CALCHBBNSA-N 0 1 392.467 1.018 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001571317357 946605774 /nfs/dbraw/zinc/60/57/74/946605774.db2.gz DYLARVJYZKCZBW-SCZZXKLOSA-N 0 1 392.876 1.888 20 0 GDADMN CC[C@H](C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317512 946611039 /nfs/dbraw/zinc/61/10/39/946611039.db2.gz KSUPRWNQRQJRRG-CHWSQXEVSA-N 0 1 392.533 1.399 20 0 GDADMN C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571317474 946611417 /nfs/dbraw/zinc/61/14/17/946611417.db2.gz JGCMIDDRQLKRCW-CHWSQXEVSA-N 0 1 392.529 1.663 20 0 GDADMN C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571317474 946611426 /nfs/dbraw/zinc/61/14/26/946611426.db2.gz JGCMIDDRQLKRCW-CHWSQXEVSA-N 0 1 392.529 1.663 20 0 GDADMN CC(C)C(=O)NCCN(C)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824185447 946613388 /nfs/dbraw/zinc/61/33/88/946613388.db2.gz ZYENPYLCXIRCHS-UHFFFAOYSA-N 0 1 382.472 1.471 20 0 GDADMN O=C(NC[C@@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cc[nH]c1 ZINC001571317930 946623792 /nfs/dbraw/zinc/62/37/92/946623792.db2.gz YYZVBONUQPUBDT-VIFPVBQESA-N 0 1 392.876 1.951 20 0 GDADMN Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c(Cl)n1 ZINC001571317943 946624712 /nfs/dbraw/zinc/62/47/12/946624712.db2.gz ZRLBLSOHHKLYPM-KYZUINATSA-N 0 1 392.876 1.366 20 0 GDADMN Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c(Cl)n1 ZINC001571317943 946624719 /nfs/dbraw/zinc/62/47/19/946624719.db2.gz ZRLBLSOHHKLYPM-KYZUINATSA-N 0 1 392.876 1.366 20 0 GDADMN Brc1ccc(-c2nn[nH]n2)c(N2CCN(Cc3nnc[nH]3)CC2)c1 ZINC001573279333 946637482 /nfs/dbraw/zinc/63/74/82/946637482.db2.gz GGZDJTAEEBZLAF-UHFFFAOYSA-N 0 1 390.249 1.070 20 0 GDADMN Brc1ccc(-c2nn[nH]n2)c(NCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001573280380 946661005 /nfs/dbraw/zinc/66/10/05/946661005.db2.gz SCXRMEXSZGCSFM-TXEJJXNPSA-N 0 1 379.262 1.904 20 0 GDADMN C[C@@H](NCC(=O)NCCOc1cccc(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562356 946801589 /nfs/dbraw/zinc/80/15/89/946801589.db2.gz GCXWYLXCPMMOMH-CYBMUJFWSA-N 0 1 384.415 1.852 20 0 GDADMN CCOCCN1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825598764 947251611 /nfs/dbraw/zinc/25/16/11/947251611.db2.gz BPQYLWVOYXEANA-UHFFFAOYSA-N 0 1 396.499 1.421 20 0 GDADMN C=C/C(C)=C\CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001573319182 947325176 /nfs/dbraw/zinc/32/51/76/947325176.db2.gz VCGCVGGYSXCKBV-RZAHBXAWSA-N 0 1 382.472 1.758 20 0 GDADMN C[C@H](C(=O)N(C)[C@H](c1ncc[nH]1)c1ccc(F)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573595228 947417582 /nfs/dbraw/zinc/41/75/82/947417582.db2.gz WSWOMVIIDRJLAY-MFKMUULPSA-N 0 1 396.390 1.129 20 0 GDADMN C[C@H](C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)C(C)(F)F ZINC001573613476 947562941 /nfs/dbraw/zinc/56/29/41/947562941.db2.gz AYZTVLKGDHCVEL-MFKMUULPSA-N 0 1 379.415 1.624 20 0 GDADMN C[C@@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573616481 947623199 /nfs/dbraw/zinc/62/31/99/947623199.db2.gz IVSQVLQWEHBMOA-DYVFJYSZSA-N 0 1 385.472 1.149 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)n1cccc1 ZINC001573617806 947641549 /nfs/dbraw/zinc/64/15/49/947641549.db2.gz NCEBWQHCSHNRPG-CJNGLKHVSA-N 0 1 383.431 1.759 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573618393 947650882 /nfs/dbraw/zinc/65/08/82/947650882.db2.gz RWEOJJGPJCGTND-NEPJUHHUSA-N 0 1 384.469 1.204 20 0 GDADMN C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCCC1 ZINC001573618802 947654839 /nfs/dbraw/zinc/65/48/39/947654839.db2.gz SERFARKWSKHXIO-ZDUSSCGKSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccco1 ZINC001573619444 947665432 /nfs/dbraw/zinc/66/54/32/947665432.db2.gz WGMOLHJCTXZUEO-LBPRGKRZSA-N 0 1 382.428 1.126 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573628808 947765948 /nfs/dbraw/zinc/76/59/48/947765948.db2.gz KITZWLBOBPYFPU-KPZWWZAWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573628808 947765953 /nfs/dbraw/zinc/76/59/53/947765953.db2.gz KITZWLBOBPYFPU-KPZWWZAWSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1Cc1ccc(O)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573629375 947777749 /nfs/dbraw/zinc/77/77/49/947777749.db2.gz SHTAWLWHSIOZML-TZMCWYRMSA-N 0 1 382.428 1.349 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573372936 947786102 /nfs/dbraw/zinc/78/61/02/947786102.db2.gz GDDDJYFDIUZAFG-OAHLLOKOSA-N 0 1 385.472 1.544 20 0 GDADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573630297 947791020 /nfs/dbraw/zinc/79/10/20/947791020.db2.gz XSZRYGPYSLLDJF-GJZGRUSLSA-N 0 1 380.456 1.539 20 0 GDADMN CC(=O)CCCC(=O)N1CCC(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573375015 947814359 /nfs/dbraw/zinc/81/43/59/947814359.db2.gz PZCLDJYKFXHFIW-UHFFFAOYSA-N 0 1 385.472 1.402 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)[C@@H]1CCCO1 ZINC001573638017 947831907 /nfs/dbraw/zinc/83/19/07/947831907.db2.gz YPYBTZSKTBLMKS-YJBOKZPZSA-N 0 1 384.484 1.716 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573378053 947854026 /nfs/dbraw/zinc/85/40/26/947854026.db2.gz VGJMTXYQKLJKJZ-LSDHHAIUSA-N 0 1 385.472 1.742 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573648194 947905504 /nfs/dbraw/zinc/90/55/04/947905504.db2.gz XRBWPCLPRBAMRC-VNHYZAJKSA-N 0 1 385.497 1.927 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573648194 947905512 /nfs/dbraw/zinc/90/55/12/947905512.db2.gz XRBWPCLPRBAMRC-VNHYZAJKSA-N 0 1 385.497 1.927 20 0 GDADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[NH2+]C(C(C)C)C(C)C)CC2)o1 ZINC000826323120 947945882 /nfs/dbraw/zinc/94/58/82/947945882.db2.gz QYFWJTUVSCKRHL-UHFFFAOYSA-N 0 1 390.492 1.082 20 0 GDADMN C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)c1ccco1 ZINC001573652897 947947982 /nfs/dbraw/zinc/94/79/82/947947982.db2.gz HZOLAQQKKHTDEN-YPMHNXCESA-N 0 1 384.444 1.418 20 0 GDADMN Cc1oc(NC(=O)C[NH2+][C@@H](CCO)C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000826342108 947981810 /nfs/dbraw/zinc/98/18/10/947981810.db2.gz YHMSIAAOOGUTRO-AWEZNQCLSA-N 0 1 376.461 1.936 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826343878 947997922 /nfs/dbraw/zinc/99/79/22/947997922.db2.gz POKUHZSAJXKORN-UHFFFAOYSA-N 0 1 387.419 1.435 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826343878 947997929 /nfs/dbraw/zinc/99/79/29/947997929.db2.gz POKUHZSAJXKORN-UHFFFAOYSA-N 0 1 387.419 1.435 20 0 GDADMN C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)c1ccco1 ZINC001573657627 948001200 /nfs/dbraw/zinc/00/12/00/948001200.db2.gz NUAFELHDHGBFFU-LBPRGKRZSA-N 0 1 382.428 1.316 20 0 GDADMN C[C@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1)c1cccnc1 ZINC001573664726 948060217 /nfs/dbraw/zinc/06/02/17/948060217.db2.gz XZHKFMZYDQHURS-AWEZNQCLSA-N 0 1 392.467 1.723 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cnn(C)c1 ZINC001573672209 948109918 /nfs/dbraw/zinc/10/99/18/948109918.db2.gz IENFEVIORQDZRU-WCQYABFASA-N 0 1 386.485 1.156 20 0 GDADMN CC(C)[C@@H](CNC(=O)[C@H](C)c1ccsc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573680657 948183702 /nfs/dbraw/zinc/18/37/02/948183702.db2.gz PCUZUIIZYPRDOO-DGCLKSJQSA-N 0 1 386.485 1.497 20 0 GDADMN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC001573680887 948190445 /nfs/dbraw/zinc/19/04/45/948190445.db2.gz RGSNSJKWQOPKFU-YPMHNXCESA-N 0 1 378.502 1.321 20 0 GDADMN C[C@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573690574 948224902 /nfs/dbraw/zinc/22/49/02/948224902.db2.gz DSZVCYINPYQKMP-NHYWBVRUSA-N 0 1 376.436 1.009 20 0 GDADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)n1cccc1 ZINC001573691086 948234550 /nfs/dbraw/zinc/23/45/50/948234550.db2.gz COSWJTCUGRHJLZ-CQSZACIVSA-N 0 1 380.456 1.587 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573702632 948349388 /nfs/dbraw/zinc/34/93/88/948349388.db2.gz GGBHDELBMCCTOC-VHSXEESVSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573702630 948349741 /nfs/dbraw/zinc/34/97/41/948349741.db2.gz GGBHDELBMCCTOC-NXEZZACHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573702824 948349764 /nfs/dbraw/zinc/34/97/64/948349764.db2.gz GGBHDELBMCCTOC-ZJUUUORDSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573703196 948352609 /nfs/dbraw/zinc/35/26/09/948352609.db2.gz IVJLJXCAPPIOMP-ZIAGYGMSSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573703574 948358002 /nfs/dbraw/zinc/35/80/02/948358002.db2.gz LBVJICKADIPHFU-GJZGRUSLSA-N 0 1 392.467 1.793 20 0 GDADMN O=C1C[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c2ccccc21 ZINC000826478713 948390097 /nfs/dbraw/zinc/39/00/97/948390097.db2.gz IKVCHWSKFCCDII-ZDUSSCGKSA-N 0 1 391.359 1.751 20 0 GDADMN C[C@@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)C(C)(F)F ZINC001573708754 948458336 /nfs/dbraw/zinc/45/83/36/948458336.db2.gz XBFRNCCACQOEJO-NSHDSACASA-N 0 1 379.415 1.886 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573714992 948481279 /nfs/dbraw/zinc/48/12/79/948481279.db2.gz MMTSQUZJEJMOSM-LSDHHAIUSA-N 0 1 380.456 1.657 20 0 GDADMN C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001573730344 948579376 /nfs/dbraw/zinc/57/93/76/948579376.db2.gz OPNBHWULJGOAAQ-BBEGDGIKSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573731071 948587316 /nfs/dbraw/zinc/58/73/16/948587316.db2.gz CVXUOQDKGLAHBQ-QWRGUYRKSA-N 0 1 387.394 1.682 20 0 GDADMN CC(C)[C@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574075658 948748092 /nfs/dbraw/zinc/74/80/92/948748092.db2.gz YJTUMDPGDXCAQY-KBXCAEBGSA-N 0 1 388.451 1.470 20 0 GDADMN CC(F)(F)C1(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575222202 948754887 /nfs/dbraw/zinc/75/48/87/948754887.db2.gz GIEZYWCRSCQJJQ-LLVKDONJSA-N 0 1 392.414 1.567 20 0 GDADMN CC(C)c1cccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574417412 948765022 /nfs/dbraw/zinc/76/50/22/948765022.db2.gz MXDAIIGWEVOIOX-ZDUSSCGKSA-N 0 1 378.440 1.529 20 0 GDADMN C[C@H](CNC(=O)CCc1cnc[nH]1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574915456 948767927 /nfs/dbraw/zinc/76/79/27/948767927.db2.gz UIHASYOQXHVCGG-SNVBAGLBSA-N 0 1 389.851 1.435 20 0 GDADMN CC(C)c1cccc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574418224 948776833 /nfs/dbraw/zinc/77/68/33/948776833.db2.gz VTSFVDKDBKJQCO-AWEZNQCLSA-N 0 1 392.467 1.776 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c1 ZINC001574419589 948785539 /nfs/dbraw/zinc/78/55/39/948785539.db2.gz FQODFKFMNVMTKU-QLPKVWCKSA-N 0 1 390.451 1.645 20 0 GDADMN C[C@H](C(=O)Nc1cc(O)cc(Br)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755971 948788674 /nfs/dbraw/zinc/78/86/74/948788674.db2.gz KKNGFJRYENFCKU-ZCFIWIBFSA-N 0 1 379.178 1.126 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CC1 ZINC001575224556 948789141 /nfs/dbraw/zinc/78/91/41/948789141.db2.gz XBIOOVFQWNNEEG-UHFFFAOYSA-N 0 1 377.399 1.522 20 0 GDADMN CC(F)(F)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575224672 948792945 /nfs/dbraw/zinc/79/29/45/948792945.db2.gz QAVPUQAGIOLUED-BQBZGAKWSA-N 0 1 389.819 1.811 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccon1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574917173 948811124 /nfs/dbraw/zinc/81/11/24/948811124.db2.gz SSTSKTCYUCFTDX-LBPRGKRZSA-N 0 1 387.419 1.563 20 0 GDADMN CC(F)(F)CC(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575227771 948832892 /nfs/dbraw/zinc/83/28/92/948832892.db2.gz ZLTNABSCQIWXFZ-QWRGUYRKSA-N 0 1 378.387 1.129 20 0 GDADMN CC(C)c1nc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[nH]n3)n2)cs1 ZINC001574424171 948843394 /nfs/dbraw/zinc/84/33/94/948843394.db2.gz HAEWLMDFWAPQJO-UHFFFAOYSA-N 0 1 387.473 1.445 20 0 GDADMN C[C@@H](CNC(=O)CCCn1cccn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574918844 948862939 /nfs/dbraw/zinc/86/29/39/948862939.db2.gz RPRPYMBBNRIWBR-ZDUSSCGKSA-N 0 1 386.435 1.277 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)COCC1CC1 ZINC001574684804 948887497 /nfs/dbraw/zinc/88/74/97/948887497.db2.gz MXMFXYBGAFDUDY-MRVPVSSYSA-N 0 1 385.881 1.710 20 0 GDADMN CC(C)c1ncc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)s1 ZINC001574427200 948898904 /nfs/dbraw/zinc/89/89/04/948898904.db2.gz BPLGWOIZQMFRLM-UHFFFAOYSA-N 0 1 385.457 1.033 20 0 GDADMN CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575234349 948899149 /nfs/dbraw/zinc/89/91/49/948899149.db2.gz BCNWOPYIHDXEQS-VXGBXAGGSA-N 0 1 392.414 1.662 20 0 GDADMN C[C@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920441 948902228 /nfs/dbraw/zinc/90/22/28/948902228.db2.gz LIUWRGRCGGMZAZ-SNVBAGLBSA-N 0 1 377.499 1.612 20 0 GDADMN C[C@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574920441 948902251 /nfs/dbraw/zinc/90/22/51/948902251.db2.gz LIUWRGRCGGMZAZ-SNVBAGLBSA-N 0 1 377.499 1.612 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ncccn1 ZINC001574685246 948904075 /nfs/dbraw/zinc/90/40/75/948904075.db2.gz UFBMGEBLALKXLY-SSDOTTSWSA-N 0 1 379.837 1.387 20 0 GDADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573765319 948904393 /nfs/dbraw/zinc/90/43/93/948904393.db2.gz YBDXRRDNBCIZJX-CQSZACIVSA-N 0 1 378.440 1.069 20 0 GDADMN CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234848 948908615 /nfs/dbraw/zinc/90/86/15/948908615.db2.gz HLHFZPDIXTVXJC-RYUDHWBXSA-N 0 1 392.414 1.519 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnsn1 ZINC001574685689 948916163 /nfs/dbraw/zinc/91/61/63/948916163.db2.gz ZFLSSULBOCZKNA-YFKPBYRVSA-N 0 1 385.866 1.449 20 0 GDADMN CC(C)(C(=O)N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573771041 948932342 /nfs/dbraw/zinc/93/23/42/948932342.db2.gz AGFUQIDZWYPSHY-GXTWGEPZSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001574433107 948946422 /nfs/dbraw/zinc/94/64/22/948946422.db2.gz GZFOTJIPRSCXOB-UHFFFAOYSA-N 0 1 383.460 1.327 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575239573 948964193 /nfs/dbraw/zinc/96/41/93/948964193.db2.gz UQISGNJPEMDNSY-MXWKQRLJSA-N 0 1 378.387 1.318 20 0 GDADMN CC(F)(F)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001575244001 949004918 /nfs/dbraw/zinc/00/49/18/949004918.db2.gz UQISGNJPEMDNSY-VWYCJHECSA-N 0 1 378.387 1.318 20 0 GDADMN CC(C)(C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573780430 949095877 /nfs/dbraw/zinc/09/58/77/949095877.db2.gz ZAJGUKZTITWADZ-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249432 949098071 /nfs/dbraw/zinc/09/80/71/949098071.db2.gz BUOYGFKCIQOGFZ-CHWSQXEVSA-N 0 1 387.492 1.226 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249432 949098054 /nfs/dbraw/zinc/09/80/54/949098054.db2.gz BUOYGFKCIQOGFZ-CHWSQXEVSA-N 0 1 387.492 1.226 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001574694987 949101504 /nfs/dbraw/zinc/10/15/04/949101504.db2.gz YICHQQYQFHGQDM-BBRMVZONSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCC1 ZINC001574694987 949101513 /nfs/dbraw/zinc/10/15/13/949101513.db2.gz YICHQQYQFHGQDM-BBRMVZONSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001574093920 949123218 /nfs/dbraw/zinc/12/32/18/949123218.db2.gz TVSGFWKTVWUXJF-UWVGGRQHSA-N 0 1 381.893 1.917 20 0 GDADMN O=C([O-])c1cc[nH+]c(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000364408501 971540710 /nfs/dbraw/zinc/54/07/10/971540710.db2.gz FIBUSZBNXVWGCR-UHFFFAOYSA-N 0 1 379.413 1.866 20 0 GDADMN C[C@H](CNC(=O)COc1ccccc1F)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574934458 949162969 /nfs/dbraw/zinc/16/29/69/949162969.db2.gz INCSIIDGAWDXNQ-GFCCVEGCSA-N 0 1 385.403 1.421 20 0 GDADMN C[C@@H](c1cnccn1)N1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575514279 949163431 /nfs/dbraw/zinc/16/34/31/949163431.db2.gz BVQQGZIAVXQPAS-LBPRGKRZSA-N 0 1 381.444 1.188 20 0 GDADMN C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575252602 949166824 /nfs/dbraw/zinc/16/68/24/949166824.db2.gz QJGMKQZTZJVRKX-VHSXEESVSA-N 0 1 380.403 1.209 20 0 GDADMN C[C@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576151557 949226548 /nfs/dbraw/zinc/22/65/48/949226548.db2.gz GOKYCQJVEQZDBT-ORAYPTAESA-N 0 1 384.488 1.816 20 0 GDADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001589605875 949263538 /nfs/dbraw/zinc/26/35/38/949263538.db2.gz YFCOGHORAPJFOO-DNVCBOLYSA-N 0 1 375.425 1.441 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574940445 949264124 /nfs/dbraw/zinc/26/41/24/949264124.db2.gz FYXUKJAVJGXVRU-LBPRGKRZSA-N 0 1 378.440 1.115 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC001589605874 949265267 /nfs/dbraw/zinc/26/52/67/949265267.db2.gz YFCOGHORAPJFOO-BEFAXECRSA-N 0 1 375.425 1.441 20 0 GDADMN CC(C)c1scnc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574452832 949266893 /nfs/dbraw/zinc/26/68/93/949266893.db2.gz NRFBJIPRHQEMGX-MGCOHNPYSA-N 0 1 385.457 1.031 20 0 GDADMN C[C@@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574940656 949274649 /nfs/dbraw/zinc/27/46/49/949274649.db2.gz IFOAWAPSRJMDGR-JTQLQIEISA-N 0 1 388.382 1.119 20 0 GDADMN C[C@H](CNC(=O)Cc1ccc[nH]1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574940894 949284379 /nfs/dbraw/zinc/28/43/79/949284379.db2.gz LXCIRBFDRWLGPO-MRVPVSSYSA-N 0 1 380.865 1.712 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001574454923 949287884 /nfs/dbraw/zinc/28/78/84/949287884.db2.gz GZNWUTQVSJEIKC-JOCQHMNTSA-N 0 1 386.485 1.756 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001574454923 949287906 /nfs/dbraw/zinc/28/79/06/949287906.db2.gz GZNWUTQVSJEIKC-JOCQHMNTSA-N 0 1 386.485 1.756 20 0 GDADMN C[C@H](c1ncccn1)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC001575524207 949312062 /nfs/dbraw/zinc/31/20/62/949312062.db2.gz STGPVONPMOTBFS-YRGRVCCFSA-N 0 1 381.444 1.044 20 0 GDADMN CC(C)n1ccc(CC(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)n1 ZINC001574459457 949357397 /nfs/dbraw/zinc/35/73/97/949357397.db2.gz HHGCLAPQRRXUTH-UHFFFAOYSA-N 0 1 383.460 1.176 20 0 GDADMN C[C@H](NC(=O)C1CC(F)(F)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260982 949366538 /nfs/dbraw/zinc/36/65/38/949366538.db2.gz ZCDYXSFGJVZMAW-NSHDSACASA-N 0 1 376.411 1.849 20 0 GDADMN C[C@H](NC(=O)[C@H]1CCCOC1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575262736 949379440 /nfs/dbraw/zinc/37/94/40/949379440.db2.gz BTGFNJAYFONBNI-JSGCOSHPSA-N 0 1 388.447 1.369 20 0 GDADMN CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573801826 949404205 /nfs/dbraw/zinc/40/42/05/949404205.db2.gz ABPAWAGXTGVWNS-OAHLLOKOSA-N 0 1 392.467 1.750 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC001574464313 949407003 /nfs/dbraw/zinc/40/70/03/949407003.db2.gz JXYUYRXEYISGLI-MRXNPFEDSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704923 949414117 /nfs/dbraw/zinc/41/41/17/949414117.db2.gz GFGMSNAQAZCFSH-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704923 949414122 /nfs/dbraw/zinc/41/41/22/949414122.db2.gz GFGMSNAQAZCFSH-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN CC(C)n1cccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001574465678 949443425 /nfs/dbraw/zinc/44/34/25/949443425.db2.gz VPJOESPHKZHEKQ-STQMWFEESA-N 0 1 379.428 1.142 20 0 GDADMN C[C@@H](NC(=O)C1CCOCC1)[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575265541 949447768 /nfs/dbraw/zinc/44/77/68/949447768.db2.gz UNWOHRAXQMOSEU-HTQZYQBOSA-N 0 1 385.881 1.708 20 0 GDADMN C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575265293 949447820 /nfs/dbraw/zinc/44/78/20/949447820.db2.gz TXTMSKAOBFBOOV-VHSXEESVSA-N 0 1 382.419 1.455 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574468097 949457862 /nfs/dbraw/zinc/45/78/62/949457862.db2.gz JGKQFKFIAYEFRD-UHFFFAOYSA-N 0 1 388.501 1.910 20 0 GDADMN CC(C)n1nccc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574469213 949476061 /nfs/dbraw/zinc/47/60/61/949476061.db2.gz YUIIPBFXXXCAQD-LBPRGKRZSA-N 0 1 386.485 1.710 20 0 GDADMN CC(C)n1nccc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574469213 949476074 /nfs/dbraw/zinc/47/60/74/949476074.db2.gz YUIIPBFXXXCAQD-LBPRGKRZSA-N 0 1 386.485 1.710 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[NH+](C)C ZINC001576157714 949490913 /nfs/dbraw/zinc/49/09/13/949490913.db2.gz RRKXMCNLDWFZFQ-SCLBCKFNSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[NH+](C)C ZINC001576157714 949490921 /nfs/dbraw/zinc/49/09/21/949490921.db2.gz RRKXMCNLDWFZFQ-SCLBCKFNSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCC[C@H]1CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001576159036 949512266 /nfs/dbraw/zinc/51/22/66/949512266.db2.gz VYTIKYFPDDQAOZ-KGLIPLIRSA-N 0 1 384.488 1.746 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872340 949543934 /nfs/dbraw/zinc/54/39/34/949543934.db2.gz IAZZWKFRDCUSQO-ZFWWWQNUSA-N 0 1 384.488 1.220 20 0 GDADMN C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001576164281 949553471 /nfs/dbraw/zinc/55/34/71/949553471.db2.gz GOQHPTVSYYAUGC-WBOJAVRRSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576164551 949555267 /nfs/dbraw/zinc/55/52/67/949555267.db2.gz HEGCEELPLOWGJF-CXAGYDPISA-N 0 1 383.456 1.417 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CC(C)(C)C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164905 949561293 /nfs/dbraw/zinc/56/12/93/949561293.db2.gz IFZXBNNOXXFRDN-GXTWGEPZSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574712475 949581710 /nfs/dbraw/zinc/58/17/10/949581710.db2.gz SRJVUCYCNNADOK-JSGCOSHPSA-N 0 1 378.440 1.067 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573811551 949599046 /nfs/dbraw/zinc/59/90/46/949599046.db2.gz LKWUOZBZIBXFIL-OSRDXIQISA-N 0 1 390.513 1.441 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573811551 949599065 /nfs/dbraw/zinc/59/90/65/949599065.db2.gz LKWUOZBZIBXFIL-OSRDXIQISA-N 0 1 390.513 1.441 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574713168 949600388 /nfs/dbraw/zinc/60/03/88/949600388.db2.gz WCYHKAUHXUGLOV-WFASDCNBSA-N 0 1 379.424 1.119 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573811550 949601927 /nfs/dbraw/zinc/60/19/27/949601927.db2.gz LKWUOZBZIBXFIL-MYZSUADSSA-N 0 1 390.513 1.441 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573811550 949601934 /nfs/dbraw/zinc/60/19/34/949601934.db2.gz LKWUOZBZIBXFIL-MYZSUADSSA-N 0 1 390.513 1.441 20 0 GDADMN CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001574126919 949607156 /nfs/dbraw/zinc/60/71/56/949607156.db2.gz AXTLTMCQOUGVBM-OKILXGFUSA-N 0 1 384.488 1.624 20 0 GDADMN CC1(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575546443 949608807 /nfs/dbraw/zinc/60/88/07/949608807.db2.gz QGHPZNYSTDQYEH-UONOGXRCSA-N 0 1 382.472 1.807 20 0 GDADMN C[C@]1(C(=O)N2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575547497 949625999 /nfs/dbraw/zinc/62/59/99/949625999.db2.gz XMSKPGARGBLWPR-LIRRHRJNSA-N 0 1 385.472 1.293 20 0 GDADMN C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168082 949627052 /nfs/dbraw/zinc/62/70/52/949627052.db2.gz SRFXGPLDPQJXIH-CMPLNLGQSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574715035 949636479 /nfs/dbraw/zinc/63/64/79/949636479.db2.gz ADNALBCAXAFKHH-OLZOCXBDSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574715035 949636498 /nfs/dbraw/zinc/63/64/98/949636498.db2.gz ADNALBCAXAFKHH-OLZOCXBDSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CC(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001574477266 949645842 /nfs/dbraw/zinc/64/58/42/949645842.db2.gz PNDSGTRIPIUVRK-YOEHRIQHSA-N 0 1 387.488 1.752 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CC12CCCC2 ZINC001573815218 949647144 /nfs/dbraw/zinc/64/71/44/949647144.db2.gz GWCFMQVHRBPROF-STQMWFEESA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575273266 949659294 /nfs/dbraw/zinc/65/92/94/949659294.db2.gz VEHMCXZJVMCBLR-IUCAKERBSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575273266 949659304 /nfs/dbraw/zinc/65/93/04/949659304.db2.gz VEHMCXZJVMCBLR-IUCAKERBSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575273258 949660298 /nfs/dbraw/zinc/66/02/98/949660298.db2.gz UZSQQXVNEPFFCF-UONOGXRCSA-N 0 1 380.456 1.407 20 0 GDADMN CCC[C@H]1CN(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC[N@H+]1CCOC ZINC001589639469 949660490 /nfs/dbraw/zinc/66/04/90/949660490.db2.gz YCHBYXMXWJCJCP-ZEVUXNIQSA-N 0 1 397.516 1.541 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716339 949688129 /nfs/dbraw/zinc/68/81/29/949688129.db2.gz JPPZNMNFJDCLFE-STQMWFEESA-N 0 1 376.436 1.369 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cccnc1 ZINC001573817957 949708338 /nfs/dbraw/zinc/70/83/38/949708338.db2.gz CHDANPFRTXHXQY-INIZCTEOSA-N 0 1 380.456 1.264 20 0 GDADMN C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575277169 949740028 /nfs/dbraw/zinc/74/00/28/949740028.db2.gz OLIABDNHOKWVBZ-CHWSQXEVSA-N 0 1 383.431 1.761 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717735 949743916 /nfs/dbraw/zinc/74/39/16/949743916.db2.gz WUXWCODXSCYATD-STQMWFEESA-N 0 1 388.501 1.713 20 0 GDADMN C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717735 949743933 /nfs/dbraw/zinc/74/39/33/949743933.db2.gz WUXWCODXSCYATD-STQMWFEESA-N 0 1 388.501 1.713 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574480437 949749810 /nfs/dbraw/zinc/74/98/10/949749810.db2.gz IJXTZFABPPTHMD-HOCLYGCPSA-N 0 1 392.467 1.888 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576171262 949756729 /nfs/dbraw/zinc/75/67/29/949756729.db2.gz PXWXLDZQOZRFKH-PBHICJAKSA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576171262 949756753 /nfs/dbraw/zinc/75/67/53/949756753.db2.gz PXWXLDZQOZRFKH-PBHICJAKSA-N 0 1 386.504 1.641 20 0 GDADMN O=C([O-])c1cnc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CCOCC2)cn1 ZINC001595267598 949769942 /nfs/dbraw/zinc/76/99/42/949769942.db2.gz PSHQIXBZRZFMQH-UHFFFAOYSA-N 0 1 384.436 1.540 20 0 GDADMN C[C@H](CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F ZINC001574481635 949793465 /nfs/dbraw/zinc/79/34/65/949793465.db2.gz SLIYMGRDLWSEHM-MNOVXSKESA-N 0 1 383.378 1.533 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001574481955 949814631 /nfs/dbraw/zinc/81/46/31/949814631.db2.gz XXORCQYKAMAXPC-STQMWFEESA-N 0 1 386.485 1.467 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001574481955 949814653 /nfs/dbraw/zinc/81/46/53/949814653.db2.gz XXORCQYKAMAXPC-STQMWFEESA-N 0 1 386.485 1.467 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178835 949902055 /nfs/dbraw/zinc/90/20/55/949902055.db2.gz CXDQLZDOOVKWCP-SMDDNHRTSA-N 0 1 384.469 1.493 20 0 GDADMN CC(C)(C)/C=C/C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573827191 949915550 /nfs/dbraw/zinc/91/55/50/949915550.db2.gz KRFFQENIPMJDSP-RNVIBTMRSA-N 0 1 384.488 1.864 20 0 GDADMN C[C@@H](NC(=O)CN1CCCC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575284862 949922680 /nfs/dbraw/zinc/92/26/80/949922680.db2.gz KNERDNDEJDDHJH-MNOVXSKESA-N 0 1 378.868 1.316 20 0 GDADMN C[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC001602819745 971620474 /nfs/dbraw/zinc/62/04/74/971620474.db2.gz GVCKQXGFKAMMCE-JTQLQIEISA-N 0 1 394.287 1.777 20 0 GDADMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC001602819745 971620479 /nfs/dbraw/zinc/62/04/79/971620479.db2.gz GVCKQXGFKAMMCE-JTQLQIEISA-N 0 1 394.287 1.777 20 0 GDADMN C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574488836 949951802 /nfs/dbraw/zinc/95/18/02/949951802.db2.gz GQIHJNFJJGLSHO-OTYXRUKQSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575890419 949953900 /nfs/dbraw/zinc/95/39/00/949953900.db2.gz XNZZUCDBWROURQ-BDAKNGLRSA-N 0 1 389.807 1.085 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+]([C@H]1CCN(c3ccccc3C(F)(F)F)C1=O)C2 ZINC001595279783 949963524 /nfs/dbraw/zinc/96/35/24/949963524.db2.gz BJCCDRKFFCVHPL-YLVFBTJISA-N 0 1 384.354 1.844 20 0 GDADMN C[C@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180918 949981899 /nfs/dbraw/zinc/98/18/99/949981899.db2.gz FZHKVMLNNKHDMI-UONOGXRCSA-N 0 1 381.440 1.416 20 0 GDADMN C[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891284 949995186 /nfs/dbraw/zinc/99/51/86/949995186.db2.gz HIWKFDVXPHZDED-NXEZZACHSA-N 0 1 388.819 1.690 20 0 GDADMN CC(C)(C)CC(=O)N1CCO[C@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573831446 950000565 /nfs/dbraw/zinc/00/05/65/950000565.db2.gz YMXWPDFUPGMNLZ-OAHLLOKOSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOC1 ZINC001575574073 950011549 /nfs/dbraw/zinc/01/15/49/950011549.db2.gz RQOQMHKOBRHKMB-CXAGYDPISA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOC1 ZINC001575574073 950011572 /nfs/dbraw/zinc/01/15/72/950011572.db2.gz RQOQMHKOBRHKMB-CXAGYDPISA-N 0 1 376.486 1.339 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182383 950053003 /nfs/dbraw/zinc/05/30/03/950053003.db2.gz OHCOSFZFAZOVPE-GUYCJALGSA-N 0 1 378.440 1.431 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574492140 950063479 /nfs/dbraw/zinc/06/34/79/950063479.db2.gz JQVLPSPYEBSRGT-CHWSQXEVSA-N 0 1 382.428 1.529 20 0 GDADMN CC(C)(C)CC(=O)NC[C@]1(O)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573836295 950079352 /nfs/dbraw/zinc/07/93/52/950079352.db2.gz JPIADVJSXWDKHS-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183670 950098115 /nfs/dbraw/zinc/09/81/15/950098115.db2.gz SFUIXULIUXRJML-SUMWQHHRSA-N 0 1 378.440 1.431 20 0 GDADMN CC(C)(C)CC(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573837519 950111875 /nfs/dbraw/zinc/11/18/75/950111875.db2.gz ZVZUQXJRTJFFRE-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573838714 950116507 /nfs/dbraw/zinc/11/65/07/950116507.db2.gz HKDPWSNMAZJSJU-STQMWFEESA-N 0 1 384.488 1.909 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574152739 950117724 /nfs/dbraw/zinc/11/77/24/950117724.db2.gz JAKLKJRWTXVXKC-HOCLYGCPSA-N 0 1 386.504 1.546 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574152739 950117743 /nfs/dbraw/zinc/11/77/43/950117743.db2.gz JAKLKJRWTXVXKC-HOCLYGCPSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[N@@H+](C)CCC(=O)[O-] ZINC000262642336 950145607 /nfs/dbraw/zinc/14/56/07/950145607.db2.gz JEYJZJLGOAMKLP-AWEZNQCLSA-N 0 1 397.497 1.595 20 0 GDADMN CC1(C(=O)NC[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575583794 950154173 /nfs/dbraw/zinc/15/41/73/950154173.db2.gz NTUSUXQGJLOGSR-AWEZNQCLSA-N 0 1 385.472 1.411 20 0 GDADMN C[C@@]1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCCC2)CCCOC1 ZINC001575584193 950166939 /nfs/dbraw/zinc/16/69/39/950166939.db2.gz WRHOKNGLCORVDS-GOSISDBHSA-N 0 1 385.472 1.341 20 0 GDADMN C[C@H](CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574494586 950168457 /nfs/dbraw/zinc/16/84/57/950168457.db2.gz LQKGPVDVIJFHOQ-RNCFNFMXSA-N 0 1 383.378 1.579 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1ccccc1 ZINC001574155583 950204046 /nfs/dbraw/zinc/20/40/46/950204046.db2.gz OJHMOHCVSZIIBB-OAHLLOKOSA-N 0 1 380.456 1.264 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574155580 950204237 /nfs/dbraw/zinc/20/42/37/950204237.db2.gz OHFBMFXTWVTXCJ-VHSXEESVSA-N 0 1 386.382 1.220 20 0 GDADMN C[C@H]1[C@H](NC(=O)c2cnsn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575901149 950218446 /nfs/dbraw/zinc/21/84/46/950218446.db2.gz LSVSDLWGTKNGOX-SMDDNHRTSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574740698 950227790 /nfs/dbraw/zinc/22/77/90/950227790.db2.gz FCBAFTWYECNYKK-NSHDSACASA-N 0 1 383.460 1.277 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573845809 950241224 /nfs/dbraw/zinc/24/12/24/950241224.db2.gz MVTBDICQWHIMEY-SGMGOOAPSA-N 0 1 392.529 1.567 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573845809 950241239 /nfs/dbraw/zinc/24/12/39/950241239.db2.gz MVTBDICQWHIMEY-SGMGOOAPSA-N 0 1 392.529 1.567 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001574157717 950249803 /nfs/dbraw/zinc/24/98/03/950249803.db2.gz HHMVPAVSEOOQCE-QLFBSQMISA-N 0 1 384.488 1.458 20 0 GDADMN C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574499212 950296973 /nfs/dbraw/zinc/29/69/73/950296973.db2.gz TZIINESESDMTHQ-PNESKVBLSA-N 0 1 382.428 1.172 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905771 950299132 /nfs/dbraw/zinc/29/91/32/950299132.db2.gz FHYFYCCCXSCJNN-PWSUYJOCSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001575905771 950299150 /nfs/dbraw/zinc/29/91/50/950299150.db2.gz FHYFYCCCXSCJNN-PWSUYJOCSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906882 950322961 /nfs/dbraw/zinc/32/29/61/950322961.db2.gz KILNMOIVEIHTOL-MFKMUULPSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575906882 950322984 /nfs/dbraw/zinc/32/29/84/950322984.db2.gz KILNMOIVEIHTOL-MFKMUULPSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccsn1 ZINC001575906992 950328352 /nfs/dbraw/zinc/32/83/52/950328352.db2.gz LNDYAGMQLSRKRM-KOLCDFICSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccsn1 ZINC001575906992 950328368 /nfs/dbraw/zinc/32/83/68/950328368.db2.gz LNDYAGMQLSRKRM-KOLCDFICSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnns1 ZINC001575908541 950370193 /nfs/dbraw/zinc/37/01/93/950370193.db2.gz UXGLFKJRKOWDLF-SCZZXKLOSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cnns1 ZINC001575908541 950370211 /nfs/dbraw/zinc/37/02/11/950370211.db2.gz UXGLFKJRKOWDLF-SCZZXKLOSA-N 0 1 376.471 1.173 20 0 GDADMN C[C@H]1[C@H](NCc2ccncc2Cl)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908816 950377122 /nfs/dbraw/zinc/37/71/22/950377122.db2.gz FDFWBDNRTGBAHU-IINYFYTJSA-N 0 1 386.847 1.636 20 0 GDADMN CC1CC[NH+](CC(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001576196930 950379673 /nfs/dbraw/zinc/37/96/73/950379673.db2.gz JJEGACYITVMXNU-INIZCTEOSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccn1 ZINC001574502663 950383490 /nfs/dbraw/zinc/38/34/90/950383490.db2.gz PFRFOJKANLBWMD-AWEZNQCLSA-N 0 1 380.456 1.263 20 0 GDADMN C[C@H](CC(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574503034 950399617 /nfs/dbraw/zinc/39/96/17/950399617.db2.gz SKDMEBCMIQPGAR-CQSZACIVSA-N 0 1 380.456 1.263 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc(O)ccc1Cl ZINC001574747133 950406072 /nfs/dbraw/zinc/40/60/72/950406072.db2.gz REQFCERWVITXIK-SNVBAGLBSA-N 0 1 389.847 1.804 20 0 GDADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574163823 950438453 /nfs/dbraw/zinc/43/84/53/950438453.db2.gz YXCATHPODPYUBX-HIFRSBDPSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574163823 950438465 /nfs/dbraw/zinc/43/84/65/950438465.db2.gz YXCATHPODPYUBX-HIFRSBDPSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)CCC(=O)N(C)C[C@@H](O)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574167557 950484412 /nfs/dbraw/zinc/48/44/12/950484412.db2.gz DYHUDMMIAWYIMG-HNNXBMFYSA-N 0 1 392.479 1.693 20 0 GDADMN C[C@H](NC(=O)CN1CCC(C)CC1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001576205506 950526191 /nfs/dbraw/zinc/52/61/91/950526191.db2.gz ZGANEUVGAHSJOB-STQMWFEESA-N 0 1 390.467 1.438 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccc(C(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574753527 950528637 /nfs/dbraw/zinc/52/86/37/950528637.db2.gz OKZXXOLOVUFARZ-JTQLQIEISA-N 0 1 388.382 1.589 20 0 GDADMN C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001574509803 950532784 /nfs/dbraw/zinc/53/27/84/950532784.db2.gz XZMWHTMUMSVGCB-NEPJUHHUSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001574509803 950532799 /nfs/dbraw/zinc/53/27/99/950532799.db2.gz XZMWHTMUMSVGCB-NEPJUHHUSA-N 0 1 388.501 1.450 20 0 GDADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1ccc(F)cc1Cl ZINC001574997743 950553606 /nfs/dbraw/zinc/55/36/06/950553606.db2.gz XZLNTNGTRGLRPL-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574754101 950557526 /nfs/dbraw/zinc/55/75/26/950557526.db2.gz XXTIREZEJNFVCC-QMMMGPOBSA-N 0 1 378.343 1.182 20 0 GDADMN CC1(C)C(C)(C)C1(C)C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575617215 950598152 /nfs/dbraw/zinc/59/81/52/950598152.db2.gz YIQVJNCYQDBMEA-UHFFFAOYSA-N 0 1 384.488 1.768 20 0 GDADMN C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)CCc1nc[nH]n1 ZINC001575924308 950671062 /nfs/dbraw/zinc/67/10/62/950671062.db2.gz RZXGTBZUBUFDAQ-ZYHUDNBSSA-N 0 1 385.407 1.158 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574760708 950677612 /nfs/dbraw/zinc/67/76/12/950677612.db2.gz YIRYYSWXEYHECR-MRVPVSSYSA-N 0 1 380.865 1.888 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001573878079 950698799 /nfs/dbraw/zinc/69/87/99/950698799.db2.gz JTLCOHFDSJTYLN-CHWSQXEVSA-N 0 1 384.488 1.602 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573878366 950705332 /nfs/dbraw/zinc/70/53/32/950705332.db2.gz NWRIAYDMRABNMX-NWANDNLSSA-N 0 1 390.463 1.255 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCc1ccccn1 ZINC001575926611 950719699 /nfs/dbraw/zinc/71/96/99/950719699.db2.gz XVMYSKBKRJJNJN-YOEHRIQHSA-N 0 1 392.467 1.503 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574764726 950757508 /nfs/dbraw/zinc/75/75/08/950757508.db2.gz XHXNBNLWRBOXIM-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cncc(F)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574764726 950757522 /nfs/dbraw/zinc/75/75/22/950757522.db2.gz XHXNBNLWRBOXIM-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574765330 950781095 /nfs/dbraw/zinc/78/10/95/950781095.db2.gz CAIDFWQTBHDYGY-NSHDSACASA-N 0 1 382.428 1.123 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cnccn1 ZINC001575930159 950791920 /nfs/dbraw/zinc/79/19/20/950791920.db2.gz DTGUVDWTTYVBQP-JGVFFNPUSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576218790 950793420 /nfs/dbraw/zinc/79/34/20/950793420.db2.gz RPABEUZJPWQUKY-UWVGGRQHSA-N 0 1 380.403 1.019 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575632816 950804191 /nfs/dbraw/zinc/80/41/91/950804191.db2.gz NOKONLZFMISINT-GXTWGEPZSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)C1=COCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574523189 950806812 /nfs/dbraw/zinc/80/68/12/950806812.db2.gz MQJSRHPWYWXYCX-MNOVXSKESA-N 0 1 378.458 1.189 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)C1=COCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574523189 950806831 /nfs/dbraw/zinc/80/68/31/950806831.db2.gz MQJSRHPWYWXYCX-MNOVXSKESA-N 0 1 378.458 1.189 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931932 950815378 /nfs/dbraw/zinc/81/53/78/950815378.db2.gz JMSHKVSBSHAEHW-HTRCEHHLSA-N 0 1 379.837 1.415 20 0 GDADMN CC1(C)CC(CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575634108 950826130 /nfs/dbraw/zinc/82/61/30/950826130.db2.gz ZOQSTNLFVKDSNN-LBPRGKRZSA-N 0 1 378.502 1.321 20 0 GDADMN CC(C)n1cc(CN[C@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 ZINC001574527165 950879366 /nfs/dbraw/zinc/87/93/66/950879366.db2.gz AGLXWUGMVWCQOK-VXGBXAGGSA-N 0 1 386.464 1.054 20 0 GDADMN CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001574189605 950892581 /nfs/dbraw/zinc/89/25/81/950892581.db2.gz OMQDSHJCAUOJIE-ZNMIVQPWSA-N 0 1 384.488 1.957 20 0 GDADMN C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576227297 950904297 /nfs/dbraw/zinc/90/42/97/950904297.db2.gz FOCXUHMAKAMYSM-STQMWFEESA-N 0 1 382.472 1.165 20 0 GDADMN CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573895521 950937148 /nfs/dbraw/zinc/93/71/48/950937148.db2.gz BYURXVPVMXPLMB-SECBINFHSA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1nn(C)cc1Cl ZINC001574529559 950951635 /nfs/dbraw/zinc/95/16/35/950951635.db2.gz RCPGSSNZZXXLKP-ZJUUUORDSA-N 0 1 391.867 1.268 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C(C)(C)C)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575017391 950990982 /nfs/dbraw/zinc/99/09/82/950990982.db2.gz DVBVVMFXBBDBHK-JTQLQIEISA-N 0 1 386.485 1.668 20 0 GDADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1cscn1 ZINC001574774036 950997277 /nfs/dbraw/zinc/99/72/77/950997277.db2.gz BJLCECGJQXZTBT-JTQLQIEISA-N 0 1 375.433 1.713 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Br)o1)Nc1ccncc1-c1nn[nH]n1 ZINC001575019851 951047851 /nfs/dbraw/zinc/04/78/51/951047851.db2.gz WKTJDVJJYHAKJU-MRVPVSSYSA-N 0 1 392.217 1.270 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)s1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575022781 951073371 /nfs/dbraw/zinc/07/33/71/951073371.db2.gz JIHZNWRSJGPWAA-QMMMGPOBSA-N 0 1 378.849 1.272 20 0 GDADMN C[C@H](CNC(=O)c1ccc2cccnc2n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575025928 951136207 /nfs/dbraw/zinc/13/62/07/951136207.db2.gz CVKNDECTFPJBCL-LBPRGKRZSA-N 0 1 389.423 1.105 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575026957 951150129 /nfs/dbraw/zinc/15/01/29/951150129.db2.gz BKGNJFJHVZVVFP-LBPRGKRZSA-N 0 1 378.440 1.188 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2cnccc21)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575027635 951162779 /nfs/dbraw/zinc/16/27/79/951162779.db2.gz HHGYZJRXVVZCGA-GFCCVEGCSA-N 0 1 389.423 1.105 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1CCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575029003 951179434 /nfs/dbraw/zinc/17/94/34/951179434.db2.gz RAPVKGVBZUQZCM-GFCCVEGCSA-N 0 1 378.440 1.400 20 0 GDADMN C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001575029733 951189861 /nfs/dbraw/zinc/18/98/61/951189861.db2.gz XCUVYVLJGURMKN-NEPJUHHUSA-N 0 1 379.424 1.237 20 0 GDADMN CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575031573 951196173 /nfs/dbraw/zinc/19/61/73/951196173.db2.gz DMEATDRMWMLLTE-LBPRGKRZSA-N 0 1 382.428 1.096 20 0 GDADMN C[C@H](CNC(=O)c1ccnn1C1CCC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575034011 951235356 /nfs/dbraw/zinc/23/53/56/951235356.db2.gz GTAFLRLTCXLKRA-LBPRGKRZSA-N 0 1 381.444 1.083 20 0 GDADMN C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575036661 951297093 /nfs/dbraw/zinc/29/70/93/951297093.db2.gz VDICFNLATPNNMJ-LBPRGKRZSA-N 0 1 381.444 1.226 20 0 GDADMN C[C@H](CNC(=O)c1cnn2c1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575055469 951505343 /nfs/dbraw/zinc/50/53/43/951505343.db2.gz VBJWPECPQGTBLV-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@H](CNC(=O)c1cnn2c1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575055469 951505354 /nfs/dbraw/zinc/50/53/54/951505354.db2.gz VBJWPECPQGTBLV-LLVKDONJSA-N 0 1 386.485 1.369 20 0 GDADMN C[C@@H](CNC(=O)c1n[nH]c2ccccc21)N(C)c1ncccc1-c1nn[nH]n1 ZINC001575060819 951550284 /nfs/dbraw/zinc/55/02/84/951550284.db2.gz HDJKBNVVDGTIIA-NSHDSACASA-N 0 1 377.412 1.393 20 0 GDADMN C[C@H](CNC(=O)c1occ2c1CCC2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575067502 951614798 /nfs/dbraw/zinc/61/47/98/951614798.db2.gz UJDQZQXBJZYDCE-LLVKDONJSA-N 0 1 384.415 1.996 20 0 GDADMN C[C@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575070204 951649650 /nfs/dbraw/zinc/64/96/50/951649650.db2.gz PEXUZOOQCCCMNZ-SNVBAGLBSA-N 0 1 387.469 1.703 20 0 GDADMN C[C@H](CNC(=O)c1onc2c1CCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575070204 951649657 /nfs/dbraw/zinc/64/96/57/951649657.db2.gz PEXUZOOQCCCMNZ-SNVBAGLBSA-N 0 1 387.469 1.703 20 0 GDADMN C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575070616 951652474 /nfs/dbraw/zinc/65/24/74/951652474.db2.gz SOAVCSLPWWEUBK-ZETCQYMHSA-N 0 1 380.384 1.308 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575089878 951755791 /nfs/dbraw/zinc/75/57/91/951755791.db2.gz IEIMNFPDXDKNEN-CWTRNNRKSA-N 0 1 390.463 1.493 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccncc1F ZINC001575090628 951762137 /nfs/dbraw/zinc/76/21/37/951762137.db2.gz MTDLOUWRKQOSKS-LLVKDONJSA-N 0 1 387.394 1.790 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cccnc1 ZINC001575090918 951765262 /nfs/dbraw/zinc/76/52/62/951765262.db2.gz NZORRRAGTWMHII-ZDUSSCGKSA-N 0 1 383.431 1.580 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575091202 951772614 /nfs/dbraw/zinc/77/26/14/951772614.db2.gz QDWQWOZFSRDCCP-UONOGXRCSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)c1cnccn1)C1CC1 ZINC001575099278 951832635 /nfs/dbraw/zinc/83/26/35/951832635.db2.gz JPGYVJKNOCUNAG-KRWDZBQOSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)c1cnccn1)C1CC1 ZINC001575099278 951832643 /nfs/dbraw/zinc/83/26/43/951832643.db2.gz JPGYVJKNOCUNAG-KRWDZBQOSA-N 0 1 384.469 1.407 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100807 951847336 /nfs/dbraw/zinc/84/73/36/951847336.db2.gz VLDYRCFPZVRNGV-GFCCVEGCSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@@H](CNC(=O)CCc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100807 951847344 /nfs/dbraw/zinc/84/73/44/951847344.db2.gz VLDYRCFPZVRNGV-GFCCVEGCSA-N 0 1 388.501 1.136 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575102692 951870667 /nfs/dbraw/zinc/87/06/67/951870667.db2.gz OLWNGUSTYZIPLI-KTUBUYFOSA-N 0 1 388.497 1.288 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575102692 951870675 /nfs/dbraw/zinc/87/06/75/951870675.db2.gz OLWNGUSTYZIPLI-KTUBUYFOSA-N 0 1 388.497 1.288 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575103004 951871627 /nfs/dbraw/zinc/87/16/27/951871627.db2.gz QNCVURPYCKLPAR-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1nccc1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575103004 951871634 /nfs/dbraw/zinc/87/16/34/951871634.db2.gz QNCVURPYCKLPAR-GFCCVEGCSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[N@H+]2[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001602889152 971792659 /nfs/dbraw/zinc/79/26/59/971792659.db2.gz QDILCDIBIONEDA-QRWLVFNGSA-N 0 1 395.500 1.928 20 0 GDADMN C[C@@H](CNCc1ncc(C(C)(C)C)o1)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575119280 951987178 /nfs/dbraw/zinc/98/71/78/951987178.db2.gz WLKWCPIHHCHYFL-NSHDSACASA-N 0 1 386.460 1.636 20 0 GDADMN O=C([O-])CS(=O)(=O)CC[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001595123628 951988883 /nfs/dbraw/zinc/98/88/83/951988883.db2.gz KYPRNFJQVSUTBP-UHFFFAOYSA-N 0 1 398.481 1.124 20 0 GDADMN CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575140542 952141756 /nfs/dbraw/zinc/14/17/56/952141756.db2.gz DOTKOFXDKYQDEL-KKUMJFAQSA-N 0 1 386.504 1.705 20 0 GDADMN O=C([O-])Cn1cccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1=O ZINC001595154939 952160597 /nfs/dbraw/zinc/16/05/97/952160597.db2.gz RKSJPUVZYQYJHI-UHFFFAOYSA-N 0 1 395.459 1.596 20 0 GDADMN CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NCC[N@H+]2CCCC2(C)C)C1 ZINC001602893212 971808285 /nfs/dbraw/zinc/80/82/85/971808285.db2.gz PFJUJUZGFALNDY-IBGZPJMESA-N 0 1 399.488 1.068 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575144723 952170960 /nfs/dbraw/zinc/17/09/60/952170960.db2.gz XPCSYRLHHYEBPW-QWRGUYRKSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1cccnc1)C1CC1 ZINC001575144817 952172538 /nfs/dbraw/zinc/17/25/38/952172538.db2.gz MDRXKWVUDUNIHE-IBGZPJMESA-N 0 1 378.440 1.018 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)Oc1ccc(Br)cc1 ZINC001575145397 952183339 /nfs/dbraw/zinc/18/33/39/952183339.db2.gz XCVNJDGOOFJQEJ-SECBINFHSA-N 0 1 376.218 1.721 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575165966 952318464 /nfs/dbraw/zinc/31/84/64/952318464.db2.gz RJGPXVUOHNCGMR-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575165966 952318473 /nfs/dbraw/zinc/31/84/73/952318473.db2.gz RJGPXVUOHNCGMR-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575165966 952318482 /nfs/dbraw/zinc/31/84/82/952318482.db2.gz RJGPXVUOHNCGMR-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575165966 952318490 /nfs/dbraw/zinc/31/84/90/952318490.db2.gz RJGPXVUOHNCGMR-RKDXNWHRSA-N 0 1 384.897 1.187 20 0 GDADMN C[C@H](CS(=O)(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001575175388 952385752 /nfs/dbraw/zinc/38/57/52/952385752.db2.gz CVYXVQPAXKSVTA-CQSZACIVSA-N 0 1 392.529 1.606 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575190505 952462315 /nfs/dbraw/zinc/46/23/15/952462315.db2.gz SZEQPRMXXLAZIV-UONOGXRCSA-N 0 1 381.440 1.416 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001575197325 952483326 /nfs/dbraw/zinc/48/33/26/952483326.db2.gz UBNSBQFPGHSHPL-SJKOYZFVSA-N 0 1 381.440 1.462 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575200232 952493646 /nfs/dbraw/zinc/49/36/46/952493646.db2.gz AYZDJTOBFKQPGW-GXTWGEPZSA-N 0 1 381.444 1.267 20 0 GDADMN CC(C)COC[C@@H](O)CNC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001571120217 952499889 /nfs/dbraw/zinc/49/98/89/952499889.db2.gz JMRWUCQSUYCWOM-ZETCQYMHSA-N 0 1 375.842 1.132 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)C1 ZINC001575201046 952500432 /nfs/dbraw/zinc/50/04/32/952500432.db2.gz MZTRZUCJPSDXJD-RYUDHWBXSA-N 0 1 384.419 1.303 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCCN(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001575202059 952510252 /nfs/dbraw/zinc/51/02/52/952510252.db2.gz MXYNNMPHTZCENW-CYBMUJFWSA-N 0 1 383.460 1.148 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nn[nH]n1 ZINC001575202729 952515527 /nfs/dbraw/zinc/51/55/27/952515527.db2.gz XSJMTYYTXQPGRN-NEPJUHHUSA-N 0 1 386.435 1.549 20 0 GDADMN CC[C@@H](SC)C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571121191 952515706 /nfs/dbraw/zinc/51/57/06/952515706.db2.gz XYLXEVNUJTYWEU-IUODEOHRSA-N 0 1 375.502 1.537 20 0 GDADMN O=C(c1ccsn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571121232 952517900 /nfs/dbraw/zinc/51/79/00/952517900.db2.gz YSZULPXYOCYEKA-JTQLQIEISA-N 0 1 375.483 1.779 20 0 GDADMN O=C(c1ccsn1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571121232 952517906 /nfs/dbraw/zinc/51/79/06/952517906.db2.gz YSZULPXYOCYEKA-JTQLQIEISA-N 0 1 375.483 1.779 20 0 GDADMN CS[C@@H](C)C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571121225 952518222 /nfs/dbraw/zinc/51/82/22/952518222.db2.gz YOCYLAHMKUAWMM-KGYLQXTDSA-N 0 1 375.502 1.250 20 0 GDADMN CC(F)(F)C(=O)N1C[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@]2(C)C1 ZINC001571121331 952518956 /nfs/dbraw/zinc/51/89/56/952518956.db2.gz YOGRVOFPHCFBMM-PBHICJAKSA-N 0 1 376.411 1.802 20 0 GDADMN Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571128668 952569934 /nfs/dbraw/zinc/56/99/34/952569934.db2.gz WIXBMDJTQOSJKD-RDTXWAMCSA-N 0 1 377.452 1.494 20 0 GDADMN Cc1ccnc(C(=O)N[C@]2(C)CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571133973 952583802 /nfs/dbraw/zinc/58/38/02/952583802.db2.gz AICKUYOJRXQDGY-LJQANCHMSA-N 0 1 378.440 1.360 20 0 GDADMN Cc1cncc(C(=O)NC2CC(CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571134030 952584506 /nfs/dbraw/zinc/58/45/06/952584506.db2.gz BSVRNVZSCVQFCI-UHFFFAOYSA-N 0 1 378.440 1.316 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccccn2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571135227 952601398 /nfs/dbraw/zinc/60/13/98/952601398.db2.gz RJQIIMVOKQXSNX-ZIAGYGMSSA-N 0 1 378.440 1.289 20 0 GDADMN Cc1cccc(C)c1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571135422 952603863 /nfs/dbraw/zinc/60/38/63/952603863.db2.gz XMGOXENEJIXLHB-ZIAGYGMSSA-N 0 1 378.440 1.528 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001571139074 952618334 /nfs/dbraw/zinc/61/83/34/952618334.db2.gz BLHQMHZPMWKKSI-ZBEGNZNMSA-N 0 1 379.415 1.625 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ocnc1C1CC1 ZINC001571140626 952627505 /nfs/dbraw/zinc/62/75/05/952627505.db2.gz DJCQMCJNNCAABA-HNNXBMFYSA-N 0 1 379.424 1.736 20 0 GDADMN Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001571141941 952637186 /nfs/dbraw/zinc/63/71/86/952637186.db2.gz LGSMNWUGYVFGCU-OIISXLGYSA-N 0 1 378.440 1.136 20 0 GDADMN C[C@H](NC(=O)c1ccnnc1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571147595 952663492 /nfs/dbraw/zinc/66/34/92/952663492.db2.gz OVHZPNDWOMLXDU-GXTWGEPZSA-N 0 1 379.428 1.087 20 0 GDADMN CCN1CCN(c2ccc(CNc3cc(C)c(-c4nn[nH]n4)cn3)cn2)CC1 ZINC001571151071 952672583 /nfs/dbraw/zinc/67/25/83/952672583.db2.gz KLJDJXZXTGXDPW-UHFFFAOYSA-N 0 1 379.472 1.719 20 0 GDADMN C[C@H](NC(=O)[C@H]1CC1(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571152185 952681511 /nfs/dbraw/zinc/68/15/11/952681511.db2.gz CXNBKEYGMPUQAY-TVQRCGJNSA-N 0 1 380.374 1.598 20 0 GDADMN O=C(C(F)F)N1CC2(C1)CCN(Cc1cc(-c3nn[nH]n3)ccc1F)CC2 ZINC001571152194 952681583 /nfs/dbraw/zinc/68/15/83/952681583.db2.gz DABOZVONNSTRJK-UHFFFAOYSA-N 0 1 380.374 1.695 20 0 GDADMN CCOc1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571155766 952700044 /nfs/dbraw/zinc/70/00/44/952700044.db2.gz ZOMLVLYMIRQERC-ZDUSSCGKSA-N 0 1 380.412 1.064 20 0 GDADMN O=C(N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@]1(F)CCOC1 ZINC001571165442 952751105 /nfs/dbraw/zinc/75/11/05/952751105.db2.gz DGFBYHJCVNEXHB-BDJLRTHQSA-N 0 1 380.449 1.137 20 0 GDADMN O=C(N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@]1(F)CCOC1 ZINC001571165442 952751109 /nfs/dbraw/zinc/75/11/09/952751109.db2.gz DGFBYHJCVNEXHB-BDJLRTHQSA-N 0 1 380.449 1.137 20 0 GDADMN CCc1[nH]ccc1C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571165425 952751287 /nfs/dbraw/zinc/75/12/87/952751287.db2.gz CWLSJDKDLMXGAN-UHFFFAOYSA-N 0 1 380.456 1.799 20 0 GDADMN Cc1cc(C)c(C(=O)NCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)[nH]1 ZINC001571169701 952776919 /nfs/dbraw/zinc/77/69/19/952776919.db2.gz KTFWEUGPQUULLE-UHFFFAOYSA-N 0 1 380.456 1.853 20 0 GDADMN Cc1cc(N(C)CC2CCN(C(=O)c3ccc[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169715 952777062 /nfs/dbraw/zinc/77/70/62/952777062.db2.gz LAUKBZXEEHZCRL-UHFFFAOYSA-N 0 1 380.456 1.887 20 0 GDADMN C[C@]12CN(C(=O)[C@@H]3CC34CCC4)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571170887 952789367 /nfs/dbraw/zinc/78/93/67/952789367.db2.gz YQNVYPWEMIHLGS-VBHSOAQHSA-N 0 1 380.456 1.132 20 0 GDADMN Cn1cccc1C(=O)N1CCCC[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571172830 952809509 /nfs/dbraw/zinc/80/95/09/952809509.db2.gz YMZUDEFWHROAHT-CQSZACIVSA-N 0 1 380.456 1.519 20 0 GDADMN Cc1cc(NC2(C)CCN(C(=O)Cc3ccco3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179652 952856876 /nfs/dbraw/zinc/85/68/76/952856876.db2.gz IFARFRTXQPVOCQ-UHFFFAOYSA-N 0 1 381.440 1.621 20 0 GDADMN Cc1cc(N[C@H]2CCC[C@@H](NC(=O)Cc3ccoc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180580 952860628 /nfs/dbraw/zinc/86/06/28/952860628.db2.gz QTQTXOCUHMKBST-LSDHHAIUSA-N 0 1 381.440 1.667 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571183925 952885569 /nfs/dbraw/zinc/88/55/69/952885569.db2.gz MWBNGBONCRQZRJ-CHWSQXEVSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@H](Nc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCCCN1C(=O)Cc1ccn[nH]1 ZINC001571184051 952886708 /nfs/dbraw/zinc/88/67/08/952886708.db2.gz PDBLZOUPDKHVHU-WFASDCNBSA-N 0 1 381.444 1.409 20 0 GDADMN Cc1[nH]ccc1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571185289 952900905 /nfs/dbraw/zinc/90/09/05/952900905.db2.gz KJUNEMHLHMAZCT-ZDUSSCGKSA-N 0 1 381.444 1.070 20 0 GDADMN Cc1c[nH]nc1C(=O)N1CCCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571187924 952910568 /nfs/dbraw/zinc/91/05/68/952910568.db2.gz CSIQEFWQMSMBRB-ZDUSSCGKSA-N 0 1 381.444 1.130 20 0 GDADMN Cc1cc(C(=O)N2CCCC[C@H]2CCNc2ncccc2-c2nn[nH]n2)n[nH]1 ZINC001571188196 952912805 /nfs/dbraw/zinc/91/28/05/952912805.db2.gz HZRHQEAFAJBNFI-ZDUSSCGKSA-N 0 1 381.444 1.790 20 0 GDADMN Cc1nc(N[C@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@H]2C)ccc1-c1nn[nH]n1 ZINC001571188990 952923199 /nfs/dbraw/zinc/92/31/99/952923199.db2.gz LJZJVAKDAJNDAH-ABAIWWIYSA-N 0 1 381.444 1.185 20 0 GDADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccccc1Cl ZINC001571193066 952949891 /nfs/dbraw/zinc/94/98/91/952949891.db2.gz XOSVDEVIRFPJMY-VIKVFOODSA-N 0 1 381.827 1.780 20 0 GDADMN Cc1cnc(C(=O)N2CC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)cn1 ZINC001571196745 952983387 /nfs/dbraw/zinc/98/33/87/952983387.db2.gz NBHKZVSCYVBMGK-CQSZACIVSA-N 0 1 382.403 1.109 20 0 GDADMN CCCc1cc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)no1 ZINC001571200829 953013157 /nfs/dbraw/zinc/01/31/57/953013157.db2.gz MGHCYTFTHWJVGC-NWDGAFQWSA-N 0 1 382.428 1.339 20 0 GDADMN Cc1cnoc1C(=O)N1CCC[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571202742 953027683 /nfs/dbraw/zinc/02/76/83/953027683.db2.gz XRVBRRCAQULODE-STQMWFEESA-N 0 1 382.428 1.333 20 0 GDADMN Cc1noc(C)c1C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571204602 953031717 /nfs/dbraw/zinc/03/17/17/953031717.db2.gz AKWRMAMZJIKLEP-CYBMUJFWSA-N 0 1 382.428 1.253 20 0 GDADMN Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571205385 953037901 /nfs/dbraw/zinc/03/79/01/953037901.db2.gz IQSRRZBAFGQRHF-HUUCEWRRSA-N 0 1 382.428 1.442 20 0 GDADMN CC[C@@H]1CN(C(=O)c2[nH]nnc2C)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571206543 953052184 /nfs/dbraw/zinc/05/21/84/953052184.db2.gz VFUBLHRCZLULRZ-YPMHNXCESA-N 0 1 382.432 1.041 20 0 GDADMN Cc1noc(C)c1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571207078 953059270 /nfs/dbraw/zinc/05/92/70/953059270.db2.gz VRYRDHSNBFGOSF-ZWNOBZJWSA-N 0 1 382.428 1.251 20 0 GDADMN Cc1cc(N2C[C@@H]3CN(C(=O)c4cncs4)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571210191 953070394 /nfs/dbraw/zinc/07/03/94/953070394.db2.gz NRZDDGPYMTZMRF-TXEJJXNPSA-N 0 1 382.453 1.235 20 0 GDADMN CC1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCCCC1 ZINC001571211530 953077433 /nfs/dbraw/zinc/07/74/33/953077433.db2.gz AQZPYOIVYVXDDA-OKILXGFUSA-N 0 1 382.472 1.522 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCCC[C@@H]2NC(=O)c2ncn[nH]2)n1 ZINC001571212160 953084620 /nfs/dbraw/zinc/08/46/20/953084620.db2.gz KFYQGQUFTPRGNE-AAEUAGOBSA-N 0 1 382.432 1.089 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCCC[C@@H]2NC(=O)c2nc[nH]n2)n1 ZINC001571212160 953084624 /nfs/dbraw/zinc/08/46/24/953084624.db2.gz KFYQGQUFTPRGNE-AAEUAGOBSA-N 0 1 382.432 1.089 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571214020 953098834 /nfs/dbraw/zinc/09/88/34/953098834.db2.gz VFYLAEJDXUQNMU-LJISPDSOSA-N 0 1 382.472 1.663 20 0 GDADMN Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1F ZINC001571229282 953168279 /nfs/dbraw/zinc/16/82/79/953168279.db2.gz BUXRUUMKFYHXFD-SJKOYZFVSA-N 0 1 383.431 1.893 20 0 GDADMN CC[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)O1 ZINC001571231127 953183329 /nfs/dbraw/zinc/18/33/29/953183329.db2.gz SZGCJVCYFKOJCN-YYMGMBILSA-N 0 1 383.456 1.079 20 0 GDADMN Cc1nsc(C)c1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571234306 953200718 /nfs/dbraw/zinc/20/07/18/953200718.db2.gz TZUQIBHGCKWSLO-OAHLLOKOSA-N 0 1 383.481 1.944 20 0 GDADMN Cc1cc(N(C)[C@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571241790 953249807 /nfs/dbraw/zinc/24/98/07/953249807.db2.gz LPXCPJDHKBIVBO-ZDUSSCGKSA-N 0 1 384.419 1.778 20 0 GDADMN CCc1cnc(CN[C@@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001571242644 953258609 /nfs/dbraw/zinc/25/86/09/953258609.db2.gz KXOJHHRALJLKEM-CHWSQXEVSA-N 0 1 384.444 1.576 20 0 GDADMN C[C@@H]1CN(C(=O)CCc2nccs2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571244618 953264973 /nfs/dbraw/zinc/26/49/73/953264973.db2.gz CGIXNXUOLKTGKZ-BXUZGUMPSA-N 0 1 384.469 1.032 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245066 953270036 /nfs/dbraw/zinc/27/00/36/953270036.db2.gz NIZBCQFAWJYDFZ-NEPJUHHUSA-N 0 1 384.469 1.350 20 0 GDADMN CN(C[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCCOCC1 ZINC001571247743 953285214 /nfs/dbraw/zinc/28/52/14/953285214.db2.gz DBBVKLXMDZYJKB-WBVHZDCISA-N 0 1 384.484 1.716 20 0 GDADMN O=C(Cc1ccsc1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571248748 953297001 /nfs/dbraw/zinc/29/70/01/953297001.db2.gz ZDKYBRNZKBETQF-AAEUAGOBSA-N 0 1 384.469 1.080 20 0 GDADMN CC1(C)CCC(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571250791 953312846 /nfs/dbraw/zinc/31/28/46/953312846.db2.gz SJZMRGCMBBBTKO-CYBMUJFWSA-N 0 1 384.488 1.555 20 0 GDADMN CN1CCCC[C@H]1C(=O)N1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)C(C)(C)C1 ZINC001571252085 953322609 /nfs/dbraw/zinc/32/26/09/953322609.db2.gz GVIVLPAHIDGKCA-HOTGVXAUSA-N 0 1 384.488 1.395 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1Cl ZINC001571254255 953337195 /nfs/dbraw/zinc/33/71/95/953337195.db2.gz AYDNQGYAGWDUCI-LBPRGKRZSA-N 0 1 384.831 1.367 20 0 GDADMN C[C@@H]1C[C@@H](NC(=O)c2cocn2)CCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571254610 953340426 /nfs/dbraw/zinc/34/04/26/953340426.db2.gz HHFVIWMCJBNKQA-RISCZKNCSA-N 0 1 385.403 1.777 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589279890 953482812 /nfs/dbraw/zinc/48/28/12/953482812.db2.gz QCXUKFOJXDFCRB-OWCLPIDISA-N 0 1 375.469 1.893 20 0 GDADMN COc1ccc(CN2CCN(C(=O)C[N@H+]3C[C@@H](C(=O)[O-])CC[C@@H]3C)CC2)cc1 ZINC000517370826 953546359 /nfs/dbraw/zinc/54/63/59/953546359.db2.gz KYAFUXJVDDCYMX-WMZOPIPTSA-N 0 1 389.496 1.525 20 0 GDADMN CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001593654050 953731527 /nfs/dbraw/zinc/73/15/27/953731527.db2.gz LBJPALXGWJHFBV-GWMLXNDSSA-N 0 1 377.441 1.509 20 0 GDADMN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+]([C@H]2CCN(CC(=O)[O-])C2=O)[C@H]1C ZINC001589311941 953794111 /nfs/dbraw/zinc/79/41/11/953794111.db2.gz FDKOARUWMBHBRP-BARDWOONSA-N 0 1 383.489 1.686 20 0 GDADMN Cc1cc(N2CCC(NC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000626757165 953809821 /nfs/dbraw/zinc/80/98/21/953809821.db2.gz ZMMGMUYHSDFYPL-BLLLJJGKSA-N 0 1 375.473 1.814 20 0 GDADMN C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000626772287 953818496 /nfs/dbraw/zinc/81/84/96/953818496.db2.gz BSJNCYPHXJUMEP-QRQLOZEOSA-N 0 1 388.512 1.555 20 0 GDADMN C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000626772287 953818511 /nfs/dbraw/zinc/81/85/11/953818511.db2.gz BSJNCYPHXJUMEP-QRQLOZEOSA-N 0 1 388.512 1.555 20 0 GDADMN O=C([O-])c1ncccc1NC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC001594812311 953841913 /nfs/dbraw/zinc/84/19/13/953841913.db2.gz XUDRBSUHUDZHKY-FQEVSTJZSA-N 0 1 384.436 1.928 20 0 GDADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000635019968 953875320 /nfs/dbraw/zinc/87/53/20/953875320.db2.gz GFHGXQZEIJNGQX-MRXNPFEDSA-N 0 1 390.358 1.625 20 0 GDADMN CN(C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)C(C)(C)C[NH+]1CCOCC1 ZINC001593674937 953911566 /nfs/dbraw/zinc/91/15/66/953911566.db2.gz FWXYECRDCICZPI-KRWDZBQOSA-N 0 1 388.468 1.275 20 0 GDADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1ccccc1C(=O)[O-] ZINC001593681433 953958705 /nfs/dbraw/zinc/95/87/05/953958705.db2.gz JEJDECZIGCBLHQ-INIZCTEOSA-N 0 1 376.457 1.127 20 0 GDADMN CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001593687597 953998498 /nfs/dbraw/zinc/99/84/98/953998498.db2.gz VMMHLMWDSYLYJO-CABCVRRESA-N 0 1 378.473 1.768 20 0 GDADMN C[C@H](CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)CN1CC[NH+](C)CC1 ZINC000652091226 954050775 /nfs/dbraw/zinc/05/07/75/954050775.db2.gz AWRVILGPVYPJCP-UZLBHIALSA-N 0 1 376.501 1.212 20 0 GDADMN C[NH+](C)C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001593695898 954075276 /nfs/dbraw/zinc/07/52/76/954075276.db2.gz UOHCNUZRFFNMMF-OAHLLOKOSA-N 0 1 389.905 1.574 20 0 GDADMN CC(C)[C@@H](CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)C(=O)[O-] ZINC000653536635 954184165 /nfs/dbraw/zinc/18/41/65/954184165.db2.gz CNMHZUIHLACQEY-HZPDHXFCSA-N 0 1 376.457 1.615 20 0 GDADMN CC(C)[C@@H](CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)C(=O)[O-] ZINC000653536635 954184168 /nfs/dbraw/zinc/18/41/68/954184168.db2.gz CNMHZUIHLACQEY-HZPDHXFCSA-N 0 1 376.457 1.615 20 0 GDADMN CC(C)[C@H](CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000655862046 954247380 /nfs/dbraw/zinc/24/73/80/954247380.db2.gz XSYSKZQQCOGWPA-KRWDZBQOSA-N 0 1 390.484 1.230 20 0 GDADMN C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000659405796 954331633 /nfs/dbraw/zinc/33/16/33/954331633.db2.gz HCXLGLGICDOJLE-CTWPCTMYSA-N 0 1 388.512 1.745 20 0 GDADMN C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000659405796 954331643 /nfs/dbraw/zinc/33/16/43/954331643.db2.gz HCXLGLGICDOJLE-CTWPCTMYSA-N 0 1 388.512 1.745 20 0 GDADMN CCC(CC)(CNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)C(=O)[O-] ZINC000659409736 954332590 /nfs/dbraw/zinc/33/25/90/954332590.db2.gz SJYNTLLTPMPGLQ-GOSISDBHSA-N 0 1 390.528 1.993 20 0 GDADMN CCC(CC)(CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)C(=O)[O-] ZINC000659409736 954332600 /nfs/dbraw/zinc/33/26/00/954332600.db2.gz SJYNTLLTPMPGLQ-GOSISDBHSA-N 0 1 390.528 1.993 20 0 GDADMN C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000659424788 954348804 /nfs/dbraw/zinc/34/88/04/954348804.db2.gz WGZRHCRGQNIHSA-NZSAHSFTSA-N 0 1 388.512 1.555 20 0 GDADMN C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000659424788 954348824 /nfs/dbraw/zinc/34/88/24/954348824.db2.gz WGZRHCRGQNIHSA-NZSAHSFTSA-N 0 1 388.512 1.555 20 0 GDADMN CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)CC2)CC1 ZINC000663110023 954500610 /nfs/dbraw/zinc/50/06/10/954500610.db2.gz INIMKXGYCUIYFK-FQEVSTJZSA-N 0 1 379.501 1.280 20 0 GDADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001594895327 954561639 /nfs/dbraw/zinc/56/16/39/954561639.db2.gz FHXJGAGALWMQGA-RSUWNVLCSA-N 0 1 394.390 1.311 20 0 GDADMN O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001594895327 954561646 /nfs/dbraw/zinc/56/16/46/954561646.db2.gz FHXJGAGALWMQGA-RSUWNVLCSA-N 0 1 394.390 1.311 20 0 GDADMN O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)C1 ZINC001594895452 954562408 /nfs/dbraw/zinc/56/24/08/954562408.db2.gz HAOLZGIAELSICH-CVEARBPZSA-N 0 1 391.512 1.565 20 0 GDADMN Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cn1 ZINC001593774596 954586400 /nfs/dbraw/zinc/58/64/00/954586400.db2.gz RAXNTCCQQBLYTQ-CADBVGFASA-N 0 1 382.464 1.885 20 0 GDADMN CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001593798347 954831416 /nfs/dbraw/zinc/83/14/16/954831416.db2.gz URYAZDZJABBMTI-KGLIPLIRSA-N 0 1 385.486 1.094 20 0 GDADMN CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001593798347 954831425 /nfs/dbraw/zinc/83/14/25/954831425.db2.gz URYAZDZJABBMTI-KGLIPLIRSA-N 0 1 385.486 1.094 20 0 GDADMN CNS(=O)(=O)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1 ZINC001593801924 954855024 /nfs/dbraw/zinc/85/50/24/954855024.db2.gz LZPNMWIHNBSEJP-HUUCEWRRSA-N 0 1 392.481 1.019 20 0 GDADMN O=C([O-])C1CCN(c2ccc(C[N@@H+]3C[C@@H](O)CC4(CCOCC4)C3)o2)CC1 ZINC001594938913 954862835 /nfs/dbraw/zinc/86/28/35/954862835.db2.gz DDVVOYGOWAMIOH-INIZCTEOSA-N 0 1 378.469 1.944 20 0 GDADMN COC(=O)c1ccc(C[NH2+]Cc2c(C(=O)[O-])cnn2C)c(Br)c1 ZINC001593880012 955700167 /nfs/dbraw/zinc/70/01/67/955700167.db2.gz SWJVCOLQSNGFAL-UHFFFAOYSA-N 0 1 382.214 1.957 20 0 GDADMN O=C([O-])c1ccccc1OCC[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000852733547 955840382 /nfs/dbraw/zinc/84/03/82/955840382.db2.gz RHNOVDFEEUTFFH-HDICACEKSA-N 0 1 394.427 1.881 20 0 GDADMN C[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001589091098 955939113 /nfs/dbraw/zinc/93/91/13/955939113.db2.gz NPIRISQTUDRUJB-DOTOQJQBSA-N 0 1 376.453 1.274 20 0 GDADMN C[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001589091098 955939117 /nfs/dbraw/zinc/93/91/17/955939117.db2.gz NPIRISQTUDRUJB-DOTOQJQBSA-N 0 1 376.453 1.274 20 0 GDADMN CO[C@@](C)(C(=O)[O-])C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001593917091 956032864 /nfs/dbraw/zinc/03/28/64/956032864.db2.gz CFJDGKOKFXZLQT-VQIMIIECSA-N 0 1 379.457 1.391 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000874405889 956172062 /nfs/dbraw/zinc/17/20/62/956172062.db2.gz VWOFKBGIIXPXIJ-KRWDZBQOSA-N 0 1 377.485 1.996 20 0 GDADMN Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000874405889 956172069 /nfs/dbraw/zinc/17/20/69/956172069.db2.gz VWOFKBGIIXPXIJ-KRWDZBQOSA-N 0 1 377.485 1.996 20 0 GDADMN Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000874411112 956186339 /nfs/dbraw/zinc/18/63/39/956186339.db2.gz LMFOUYVIKGGTDR-BHIYHBOVSA-N 0 1 389.496 1.948 20 0 GDADMN Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000874411112 956186346 /nfs/dbraw/zinc/18/63/46/956186346.db2.gz LMFOUYVIKGGTDR-BHIYHBOVSA-N 0 1 389.496 1.948 20 0 GDADMN C[C@@](O)(CNC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001589138151 956242328 /nfs/dbraw/zinc/24/23/28/956242328.db2.gz IBICXCUWLFVPOM-GHTZIAJQSA-N 0 1 388.439 1.979 20 0 GDADMN NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1Br ZINC001594661418 956540849 /nfs/dbraw/zinc/54/08/49/956540849.db2.gz SAAUQAIMUXBPOZ-SNVBAGLBSA-N 0 1 391.287 1.783 20 0 GDADMN NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1Br ZINC001594661418 956540856 /nfs/dbraw/zinc/54/08/56/956540856.db2.gz SAAUQAIMUXBPOZ-SNVBAGLBSA-N 0 1 391.287 1.783 20 0 GDADMN C[C@H]1C[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)CC[N@H+]1Cc1ccccc1 ZINC000901941026 956556201 /nfs/dbraw/zinc/55/62/01/956556201.db2.gz QUDDKXPVDYLWMO-RDJZCZTQSA-N 0 1 383.448 1.716 20 0 GDADMN COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC001593970125 956601414 /nfs/dbraw/zinc/60/14/14/956601414.db2.gz BWYDMGVGGFESNY-VPWXQRGCSA-N 0 1 391.468 1.161 20 0 GDADMN COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC001593970846 956613526 /nfs/dbraw/zinc/61/35/26/956613526.db2.gz CTXICVWKQUKLTG-XLIONFOSSA-N 0 1 376.453 1.227 20 0 GDADMN O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000902772857 956801988 /nfs/dbraw/zinc/80/19/88/956801988.db2.gz JNBZCOPIIJEBNW-HNNXBMFYSA-N 0 1 379.844 1.060 20 0 GDADMN O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000902772857 956802007 /nfs/dbraw/zinc/80/20/07/956802007.db2.gz JNBZCOPIIJEBNW-HNNXBMFYSA-N 0 1 379.844 1.060 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@H+]2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)C1=O ZINC000903417552 956847690 /nfs/dbraw/zinc/84/76/90/956847690.db2.gz XOHAVJUAPLKSBH-XSLAGTTESA-N 0 1 386.448 1.658 20 0 GDADMN O=C([O-])CN1CC[C@H]([N@@H+]2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)C1=O ZINC000903417552 956847699 /nfs/dbraw/zinc/84/76/99/956847699.db2.gz XOHAVJUAPLKSBH-XSLAGTTESA-N 0 1 386.448 1.658 20 0 GDADMN CC1(CCCC[N@@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])OCCO1 ZINC001589238940 956853688 /nfs/dbraw/zinc/85/36/88/956853688.db2.gz GJJZYRKSKLGRDP-NEPJUHHUSA-N 0 1 382.379 1.516 20 0 GDADMN CC1(CCCC[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])OCCO1 ZINC001589238940 956853694 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/nfs/dbraw/zinc/88/64/23/972886423.db2.gz AQXRNGMCCWIYJY-SKIZLTFPSA-N 0 1 385.420 1.982 20 0 GDADMN C[C@@H]1C[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000398169794 973078142 /nfs/dbraw/zinc/07/81/42/973078142.db2.gz FFCLVVLCESAEKI-YPMHNXCESA-N 0 1 381.479 1.783 20 0 GDADMN C[C@@H]1C[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000398169794 973078153 /nfs/dbraw/zinc/07/81/53/973078153.db2.gz FFCLVVLCESAEKI-YPMHNXCESA-N 0 1 381.479 1.783 20 0 GDADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000398211543 973082744 /nfs/dbraw/zinc/08/27/44/973082744.db2.gz PPIPJRGMGVXOJU-QGZVFWFLSA-N 0 1 394.497 1.403 20 0 GDADMN Cc1ccc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001605288393 973092668 /nfs/dbraw/zinc/09/26/68/973092668.db2.gz LJUGVDHEMXCBGJ-HXUWFJFHSA-N 0 1 389.452 1.992 20 0 GDADMN O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000398456355 973144520 /nfs/dbraw/zinc/14/45/20/973144520.db2.gz QFGUGMQLXPYQNX-HWWDLCQESA-N 0 1 390.436 1.933 20 0 GDADMN C[C@H]1C[N@@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC[C@H]1C(=O)[O-] ZINC001603460913 973296407 /nfs/dbraw/zinc/29/64/07/973296407.db2.gz LHRKGAULPKJIKV-MAUKXSAKSA-N 0 1 393.528 1.717 20 0 GDADMN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)cn1 ZINC001605488172 973615392 /nfs/dbraw/zinc/61/53/92/973615392.db2.gz FCMUIKDODLBBTL-BFYDXBDKSA-N 0 1 398.463 1.831 20 0 GDADMN O=C([O-])CNC(=O)C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC001606265303 973634999 /nfs/dbraw/zinc/63/49/99/973634999.db2.gz TXPCELMMYDBWAT-ZDUSSCGKSA-N 0 1 387.358 1.159 20 0 GDADMN O=C([O-])Cn1cccc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1=O ZINC001606355317 973810527 /nfs/dbraw/zinc/81/05/27/973810527.db2.gz OTJZZIHTIWSOAM-QGZVFWFLSA-N 0 1 395.415 1.787 20 0 GDADMN COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000424440777 974034187 /nfs/dbraw/zinc/03/41/87/974034187.db2.gz RPLZGBWDZDLRAA-UHFFFAOYSA-N 0 1 381.404 1.032 20 0 GDADMN CCOC(=O)C1=C(C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)NC(=O)N[C@H]1c1ccco1 ZINC001603791863 974248488 /nfs/dbraw/zinc/24/84/88/974248488.db2.gz ASJOZRJXRKMERW-BMIGLBTASA-N 0 1 377.397 1.388 20 0 GDADMN O=C([O-])c1cn([C@@H]2CCCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)nn1 ZINC000516975999 974312952 /nfs/dbraw/zinc/31/29/52/974312952.db2.gz QTANQATVBMFEST-RTBURBONSA-N 0 1 399.495 1.904 20 0 GDADMN O=C([O-])c1cn([C@@H]2CCC[N@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)nn1 ZINC000516975999 974312961 /nfs/dbraw/zinc/31/29/61/974312961.db2.gz QTANQATVBMFEST-RTBURBONSA-N 0 1 399.495 1.904 20 0 GDADMN O=C([O-])c1cn([C@@H]2CCC[N@@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)nn1 ZINC000516975999 974312965 /nfs/dbraw/zinc/31/29/65/974312965.db2.gz QTANQATVBMFEST-RTBURBONSA-N 0 1 399.495 1.904 20 0 GDADMN CC(C)(CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000564923626 974559050 /nfs/dbraw/zinc/55/90/50/974559050.db2.gz LQBJINNDTSVIAB-UHFFFAOYSA-N 0 1 378.454 1.223 20 0 GDADMN CC(C)(CNS(=O)(=O)c1n[nH]cc1C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000564923626 974559056 /nfs/dbraw/zinc/55/90/56/974559056.db2.gz LQBJINNDTSVIAB-UHFFFAOYSA-N 0 1 378.454 1.223 20 0 GDADMN CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)[nH]1 ZINC001604046379 974578094 /nfs/dbraw/zinc/57/80/94/974578094.db2.gz WAGWPWIOYODUPH-RDJZCZTQSA-N 0 1 384.436 1.233 20 0 GDADMN C[C@H]1C[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC[C@H]1C(=O)[O-] ZINC000629502217 975096004 /nfs/dbraw/zinc/09/60/04/975096004.db2.gz XPOJOXOMGCSVGT-QWHCGFSZSA-N 0 1 381.860 1.780 20 0 GDADMN CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@](C)(Cn1cccn1)C(=O)[O-] ZINC001591661007 975399237 /nfs/dbraw/zinc/39/92/37/975399237.db2.gz SKUUKOAASVOXEE-LJQANCHMSA-N 0 1 387.440 1.093 20 0 GDADMN CC(C)Oc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001591756004 975825223 /nfs/dbraw/zinc/82/52/23/975825223.db2.gz YLFHAJVWDOUDGT-LBPRGKRZSA-N 0 1 381.404 1.026 20 0 GDADMN C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000659646210 975851890 /nfs/dbraw/zinc/85/18/90/975851890.db2.gz FLYFPXIULXQVQP-MRXNPFEDSA-N 0 1 381.517 1.718 20 0 GDADMN CC(C)c1[nH]c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1C(=O)[O-] ZINC001591912919 976352390 /nfs/dbraw/zinc/35/23/90/976352390.db2.gz VGKNCBXRXRRLRV-CYBMUJFWSA-N 0 1 383.456 1.985 20 0 GDADMN CC(C)c1[nH]c(C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1C(=O)[O-] ZINC001591912919 976352404 /nfs/dbraw/zinc/35/24/04/976352404.db2.gz VGKNCBXRXRRLRV-CYBMUJFWSA-N 0 1 383.456 1.985 20 0 GDADMN CC(C)c1ccc(OCCNC(=O)C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001591972191 976570631 /nfs/dbraw/zinc/57/06/31/976570631.db2.gz FKEDCBBTLMFPRU-LAUBAEHRSA-N 0 1 390.480 1.728 20 0 GDADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1 ZINC001592418310 978022398 /nfs/dbraw/zinc/02/23/98/978022398.db2.gz IYBUSULEHVXKJU-JTQLQIEISA-N 0 1 386.861 1.386 20 0 GDADMN C[C@@H](C[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001592582907 978493588 /nfs/dbraw/zinc/49/35/88/978493588.db2.gz FKLUTHRCADLNFV-NSHDSACASA-N 0 1 389.374 1.755 20 0 GDADMN C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)CC(=O)[O-] ZINC001592615193 978574281 /nfs/dbraw/zinc/57/42/81/978574281.db2.gz GILKZHORWVLFBD-INIZCTEOSA-N 0 1 376.501 1.997 20 0 GDADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2nccnc2NC(=O)C(C)(C)C)CC1 ZINC000827380726 978958923 /nfs/dbraw/zinc/95/89/23/978958923.db2.gz WIPJMEYLTWMLPB-LBPRGKRZSA-N 0 1 377.445 1.082 20 0 GDADMN C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000827461114 978960067 /nfs/dbraw/zinc/96/00/67/978960067.db2.gz MZSKWXPKGAGLEJ-CQSZACIVSA-N 0 1 391.468 1.072 20 0 GDADMN CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[C@@H](C)C1 ZINC000830000434 979011057 /nfs/dbraw/zinc/01/10/57/979011057.db2.gz HHQSTMLMAFOXSL-DZGCQCFKSA-N 0 1 387.502 1.139 20 0 GDADMN Cc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1C(=O)[O-] ZINC000832955599 979060010 /nfs/dbraw/zinc/06/00/10/979060010.db2.gz REILUSYMZCCBKV-OAHLLOKOSA-N 0 1 382.482 1.569 20 0 GDADMN Cc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1C(=O)[O-] ZINC000832955599 979060017 /nfs/dbraw/zinc/06/00/17/979060017.db2.gz REILUSYMZCCBKV-OAHLLOKOSA-N 0 1 382.482 1.569 20 0 GDADMN C[C@@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592676351 979095956 /nfs/dbraw/zinc/09/59/56/979095956.db2.gz PIVJBQFQGXMTRG-SOUVJXGZSA-N 0 1 379.457 1.447 20 0 GDADMN C[C@@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592676351 979095965 /nfs/dbraw/zinc/09/59/65/979095965.db2.gz PIVJBQFQGXMTRG-SOUVJXGZSA-N 0 1 379.457 1.447 20 0 GDADMN O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000833268392 979133952 /nfs/dbraw/zinc/13/39/52/979133952.db2.gz QATDWKMZWNERGF-UHFFFAOYSA-N 0 1 395.459 1.987 20 0 GDADMN O=C([O-])c1ccc(=O)n(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000833309838 979153748 /nfs/dbraw/zinc/15/37/48/979153748.db2.gz GIRNJUWEKQJBNW-OAQYLSRUSA-N 0 1 382.464 1.887 20 0 GDADMN C[C@H](COc1ccc(F)cc1)NC(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001592781001 979413709 /nfs/dbraw/zinc/41/37/09/979413709.db2.gz RXWBCKQTMILHKV-KUHUBIRLSA-N 0 1 395.431 1.164 20 0 GDADMN CCC(CC)[C@H](C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)[NH+]1CCOCC1 ZINC001595105923 979427127 /nfs/dbraw/zinc/42/71/27/979427127.db2.gz UHXJJELOXPYOAY-MRXNPFEDSA-N 0 1 381.473 1.346 20 0 GDADMN C[C@H](CS(=O)(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)[O-] ZINC001592807977 979479725 /nfs/dbraw/zinc/47/97/25/979479725.db2.gz OWOLOJQNKQLNBZ-NRSFXHEJSA-N 0 1 380.510 1.927 20 0 GDADMN CC[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC001595133296 979559868 /nfs/dbraw/zinc/55/98/68/979559868.db2.gz IMUHBVQCQQGWFE-UONOGXRCSA-N 0 1 377.441 1.245 20 0 GDADMN CN(C[C@H]1CCC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C1)S(C)(=O)=O ZINC000851707601 979575440 /nfs/dbraw/zinc/57/54/40/979575440.db2.gz GVTJLEROXXRORD-PYUISTEWSA-N 0 1 396.509 1.767 20 0 GDADMN C[C@H](Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1)C(=O)[O-] ZINC001592853353 979644859 /nfs/dbraw/zinc/64/48/59/979644859.db2.gz MGRRVOYXGHWJMQ-CZUORRHYSA-N 0 1 375.469 1.877 20 0 GDADMN C[C@](Cn1cccn1)([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)[O-] ZINC001592922683 979917380 /nfs/dbraw/zinc/91/73/80/979917380.db2.gz CCQZNQZVFKRCQD-RHSMWYFYSA-N 0 1 380.807 1.914 20 0 GDADMN O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000871841745 979974250 /nfs/dbraw/zinc/97/42/50/979974250.db2.gz NCVHWOCYABDCJJ-HNNXBMFYSA-N 0 1 386.445 1.399 20 0 GDADMN O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000871841745 979974261 /nfs/dbraw/zinc/97/42/61/979974261.db2.gz NCVHWOCYABDCJJ-HNNXBMFYSA-N 0 1 386.445 1.399 20 0 GDADMN 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C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000820716598 607098310 /nfs/dbraw/zinc/09/83/10/607098310.db2.gz JVGHRPNBOKTWGY-KEYYUXOJSA-N 0 1 380.456 1.973 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1-c1nnn[n-]1 ZINC000821969800 607159747 /nfs/dbraw/zinc/15/97/47/607159747.db2.gz FDYOLKMKWNSUAN-MFKMUULPSA-N 0 1 389.485 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1-c1nn[n-]n1 ZINC000821969800 607159749 /nfs/dbraw/zinc/15/97/49/607159749.db2.gz FDYOLKMKWNSUAN-MFKMUULPSA-N 0 1 389.485 1.246 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1-c1nn[n-]n1 ZINC000821969800 607159751 /nfs/dbraw/zinc/15/97/51/607159751.db2.gz FDYOLKMKWNSUAN-MFKMUULPSA-N 0 1 389.485 1.246 20 0 GDADMN O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150869 607177858 /nfs/dbraw/zinc/17/78/58/607177858.db2.gz VAKJDYMJHPGOHL-STQMWFEESA-N 0 1 376.486 1.426 20 0 GDADMN O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150869 607177859 /nfs/dbraw/zinc/17/78/59/607177859.db2.gz VAKJDYMJHPGOHL-STQMWFEESA-N 0 1 376.486 1.426 20 0 GDADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000823160549 607192134 /nfs/dbraw/zinc/19/21/34/607192134.db2.gz CUJZBTDQRLDZDN-MOPGFXCFSA-N 0 1 392.463 1.480 20 0 GDADMN COc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OCC(F)(F)F ZINC000821831719 607207183 /nfs/dbraw/zinc/20/71/83/607207183.db2.gz KJUNZMYRLFDZRA-UHFFFAOYSA-N 0 1 398.305 1.047 20 0 GDADMN CN(CCCOc1cccc(Cl)c1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821600277 607209649 /nfs/dbraw/zinc/20/96/49/607209649.db2.gz FWMGYTNULILXGK-UHFFFAOYSA-N 0 1 376.808 1.039 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCOc1ccc(Cl)cc1Cl ZINC000823132102 607211907 /nfs/dbraw/zinc/21/19/07/607211907.db2.gz ZXKJMIZVXQMXTL-UHFFFAOYSA-N 0 1 397.226 1.350 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000823126063 607212754 /nfs/dbraw/zinc/21/27/54/607212754.db2.gz GTTRGUQAYJRLNB-MWLCHTKSSA-N 0 1 378.318 1.149 20 0 GDADMN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000819949910 607217316 /nfs/dbraw/zinc/21/73/16/607217316.db2.gz BUZMKNYYNSZQPM-HHHXNRCGSA-N 0 1 388.457 1.144 20 0 GDADMN CCCCCOc1cc(C)ccc1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821056167 607222917 /nfs/dbraw/zinc/22/29/17/607222917.db2.gz NGNPCIGLRWKNML-UHFFFAOYSA-N 0 1 384.444 1.652 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000823123088 607223931 /nfs/dbraw/zinc/22/39/31/607223931.db2.gz NIMNPAWGVJTVFQ-UHFFFAOYSA-N 0 1 382.428 1.035 20 0 GDADMN CCC(CC)(CO)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825089328 607811886 /nfs/dbraw/zinc/81/18/86/607811886.db2.gz CXWGBCPWXBXKSX-UHFFFAOYSA-N 0 1 375.401 1.222 20 0 GDADMN CCN1CCC(N(C)CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825453217 607816165 /nfs/dbraw/zinc/81/61/65/607816165.db2.gz ULWIQIZJJDIWRS-UHFFFAOYSA-N 0 1 378.502 1.057 20 0 GDADMN C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N(C)C[C@@H]1CCC[C@H]1O ZINC000824051773 607859725 /nfs/dbraw/zinc/85/97/25/607859725.db2.gz DKNJHCRBHBMULM-NTZNESFSSA-N 0 1 390.513 1.837 20 0 GDADMN COCC[N@H+](C)CCOc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826157614 607898412 /nfs/dbraw/zinc/89/84/12/607898412.db2.gz DHJUCLSYDLYGFX-UHFFFAOYSA-N 0 1 383.456 1.831 20 0 GDADMN COCC[N@@H+](C)CCOc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826157614 607898413 /nfs/dbraw/zinc/89/84/13/607898413.db2.gz DHJUCLSYDLYGFX-UHFFFAOYSA-N 0 1 383.456 1.831 20 0 GDADMN CC(C)CSCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824274933 607907481 /nfs/dbraw/zinc/90/74/81/607907481.db2.gz NJRRHQWSNQHVKO-UHFFFAOYSA-N 0 1 377.442 1.812 20 0 GDADMN CCCC(=O)N[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825224840 607922396 /nfs/dbraw/zinc/92/23/96/607922396.db2.gz DAQVHWSCXTWEQB-CQSZACIVSA-N 0 1 386.456 1.534 20 0 GDADMN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825159523 608019511 /nfs/dbraw/zinc/01/95/11/608019511.db2.gz PGSORMAKOJLLRG-OAHLLOKOSA-N 0 1 398.471 1.846 20 0 GDADMN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825159523 608019512 /nfs/dbraw/zinc/01/95/12/608019512.db2.gz PGSORMAKOJLLRG-OAHLLOKOSA-N 0 1 398.471 1.846 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnn2C2CCCC2)c1-c1nnn[n-]1 ZINC000826083588 608021401 /nfs/dbraw/zinc/02/14/01/608021401.db2.gz NXCPDZZRQOIADP-UHFFFAOYSA-N 0 1 384.448 1.306 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnn2C2CCCC2)c1-c1nn[n-]n1 ZINC000826083588 608021402 /nfs/dbraw/zinc/02/14/02/608021402.db2.gz NXCPDZZRQOIADP-UHFFFAOYSA-N 0 1 384.448 1.306 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826077167 608021920 /nfs/dbraw/zinc/02/19/20/608021920.db2.gz BWXDEKPNHJKASR-QWHCGFSZSA-N 0 1 384.419 1.623 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826077167 608021921 /nfs/dbraw/zinc/02/19/21/608021921.db2.gz BWXDEKPNHJKASR-QWHCGFSZSA-N 0 1 384.419 1.623 20 0 GDADMN c1nc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)oc1C1CC1 ZINC000826526675 608033454 /nfs/dbraw/zinc/03/34/54/608033454.db2.gz IPRPNDGONPPJBN-UHFFFAOYSA-N 0 1 382.428 1.920 20 0 GDADMN CN(CC(=O)NCCSCc1ccccc1-c1nn[nH]n1)[C@@H]1CCSC1 ZINC000825892561 608033771 /nfs/dbraw/zinc/03/37/71/608033771.db2.gz OWSPLQYUQBAWOW-CQSZACIVSA-N 0 1 392.554 1.653 20 0 GDADMN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)n[nH]1 ZINC000824358418 608096925 /nfs/dbraw/zinc/09/69/25/608096925.db2.gz JHPFQYLUNQBTMT-MRVPVSSYSA-N 0 1 380.409 1.287 20 0 GDADMN C[C@@]1(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO[C@@H]1C1CC1 ZINC000824838512 608128247 /nfs/dbraw/zinc/12/82/47/608128247.db2.gz RBJCGRYGROLZJC-UKRRQHHQSA-N 0 1 385.396 1.381 20 0 GDADMN CCC[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)N(C)C ZINC000825224871 608167563 /nfs/dbraw/zinc/16/75/63/608167563.db2.gz FDYAAZOYOCFFGY-KRWDZBQOSA-N 0 1 387.488 1.497 20 0 GDADMN O=C([C@@H](O)c1ccccc1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822912427 608192907 /nfs/dbraw/zinc/19/29/07/608192907.db2.gz ZVNWJWAIXXDWAJ-HNNXBMFYSA-N 0 1 395.423 1.114 20 0 GDADMN CCc1nc([C@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000825739472 608204789 /nfs/dbraw/zinc/20/47/89/608204789.db2.gz DURKXTRCOCWDMN-SMDDNHRTSA-N 0 1 381.444 1.393 20 0 GDADMN Cn1ccc(CNC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826363035 608241803 /nfs/dbraw/zinc/24/18/03/608241803.db2.gz UDRBLCPLCXTFTF-UHFFFAOYSA-N 0 1 395.471 1.018 20 0 GDADMN Cc1cccc([C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccn2)c1 ZINC000826296597 608245763 /nfs/dbraw/zinc/24/57/63/608245763.db2.gz BWAKQRZGKUXYQM-INIZCTEOSA-N 0 1 375.396 1.067 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](C)CN2CCN(c3ccccn3)CC2)n1 ZINC000826275349 608288669 /nfs/dbraw/zinc/28/86/69/608288669.db2.gz XGHBNOODHUMOCB-HNNXBMFYSA-N 0 1 379.472 1.588 20 0 GDADMN CCC[C@@H]1CN(C(=O)COc2ccccc2-c2nn[nH]n2)CCN1CCOC ZINC000825252177 608313348 /nfs/dbraw/zinc/31/33/48/608313348.db2.gz HCUKWEFRJALGKB-OAHLLOKOSA-N 0 1 388.472 1.205 20 0 GDADMN O=C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410499 608326499 /nfs/dbraw/zinc/32/64/99/608326499.db2.gz PEURDVUVYSSTQP-SJORKVTESA-N 0 1 384.484 1.622 20 0 GDADMN C[C@H]1C[C@H](NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CN1C1CC1 ZINC000824892872 608337419 /nfs/dbraw/zinc/33/74/19/608337419.db2.gz NODUTZGUUCLHMB-GWCFXTLKSA-N 0 1 380.449 1.050 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000826170346 608367456 /nfs/dbraw/zinc/36/74/56/608367456.db2.gz XFOCDHMLINRJDG-HNNXBMFYSA-N 0 1 398.471 1.864 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000826170346 608367458 /nfs/dbraw/zinc/36/74/58/608367458.db2.gz XFOCDHMLINRJDG-HNNXBMFYSA-N 0 1 398.471 1.864 20 0 GDADMN Cc1cc(C2CCN(CC(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)CC2)[nH]n1 ZINC000826265908 608385049 /nfs/dbraw/zinc/38/50/49/608385049.db2.gz SMVZWXFJGJRZLQ-UHFFFAOYSA-N 0 1 384.444 1.926 20 0 GDADMN CC(C)(C)c1nc([C@H]2CN(Cc3cccc(-c4nn[nH]n4)c3F)CCO2)n[nH]1 ZINC000824135188 608397030 /nfs/dbraw/zinc/39/70/30/608397030.db2.gz BUHHTLLJPUGBOP-CYBMUJFWSA-N 0 1 386.435 1.995 20 0 GDADMN CC(C)(C)c1nnc([C@H]2CN(Cc3cccc(-c4nn[nH]n4)c3F)CCO2)[nH]1 ZINC000824135188 608397031 /nfs/dbraw/zinc/39/70/31/608397031.db2.gz BUHHTLLJPUGBOP-CYBMUJFWSA-N 0 1 386.435 1.995 20 0 GDADMN COc1ccc([C@H](CCO)NCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826189617 608431785 /nfs/dbraw/zinc/43/17/85/608431785.db2.gz ZUXNDNFAPDPQEW-SFHVURJKSA-N 0 1 396.451 1.205 20 0 GDADMN C[C@H](NCC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563132 608459524 /nfs/dbraw/zinc/45/95/24/608459524.db2.gz LTDDTLPKHPXQRA-SUMWQHHRSA-N 0 1 378.436 1.637 20 0 GDADMN Cc1cc(NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1 ZINC000826270096 608473794 /nfs/dbraw/zinc/47/37/94/608473794.db2.gz LAJIMYICSSNDON-UHFFFAOYSA-N 0 1 392.467 1.732 20 0 GDADMN CC[C@@H](C)[C@H](NC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)C(=O)OC ZINC000825059662 608530169 /nfs/dbraw/zinc/53/01/69/608530169.db2.gz ILPGAGNQKFLCQP-WBMJQRKESA-N 0 1 386.456 1.149 20 0 GDADMN Cn1nccc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826366816 608548459 /nfs/dbraw/zinc/54/84/59/608548459.db2.gz YZNVLJBPBFXEFB-UHFFFAOYSA-N 0 1 381.400 1.170 20 0 GDADMN O=C(CCN1CCN(c2ccc(F)cn2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407222 608563211 /nfs/dbraw/zinc/56/32/11/608563211.db2.gz FRIXWYRJJWMAOW-UHFFFAOYSA-N 0 1 396.430 1.552 20 0 GDADMN COC(=O)C1=C(C)O[C@@H](Cn2cc(-c3nn[nH]n3)c(=O)c3nc(C)ccc32)C1 ZINC000826129338 608582848 /nfs/dbraw/zinc/58/28/48/608582848.db2.gz PIPWOJIAPDMNIV-LLVKDONJSA-N 0 1 382.380 1.121 20 0 GDADMN C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C[C@H]1O ZINC000824985100 608587164 /nfs/dbraw/zinc/58/71/64/608587164.db2.gz ROIBFHYWCIYLPA-WCQYABFASA-N 0 1 390.513 1.838 20 0 GDADMN C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C[C@H]1O ZINC000824985100 608587166 /nfs/dbraw/zinc/58/71/66/608587166.db2.gz ROIBFHYWCIYLPA-WCQYABFASA-N 0 1 390.513 1.838 20 0 GDADMN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000823967158 608738394 /nfs/dbraw/zinc/73/83/94/608738394.db2.gz JLQRRBVTBOJKNO-GFCCVEGCSA-N 0 1 388.457 1.243 20 0 GDADMN COc1cc(F)cc(CNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)c1 ZINC000826179782 608860726 /nfs/dbraw/zinc/86/07/26/608860726.db2.gz DLDSIZCSCZDRDI-UHFFFAOYSA-N 0 1 390.400 1.767 20 0 GDADMN Cc1cc(C(=O)N(C)[C@H]2CN3CCC2CC3)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826256852 609228487 /nfs/dbraw/zinc/22/84/87/609228487.db2.gz CPTAINUXOGCVEB-SFHVURJKSA-N 0 1 392.467 1.527 20 0 GDADMN C[C@@H](NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000824540073 609250133 /nfs/dbraw/zinc/25/01/33/609250133.db2.gz RIKDUQOFIBEYRL-GFCCVEGCSA-N 0 1 384.465 1.854 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCOc3cc(F)ccc32)cc1-c1nn[nH]n1 ZINC000826229892 609300262 /nfs/dbraw/zinc/30/02/62/609300262.db2.gz VVOAHGUJPMHAKG-UHFFFAOYSA-N 0 1 388.384 1.868 20 0 GDADMN CC(C)[N@H+](C)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824284145 609357803 /nfs/dbraw/zinc/35/78/03/609357803.db2.gz CKAILNBKVHDBHJ-UHFFFAOYSA-N 0 1 387.423 1.653 20 0 GDADMN CC(C)[N@@H+](C)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824284145 609357805 /nfs/dbraw/zinc/35/78/05/609357805.db2.gz CKAILNBKVHDBHJ-UHFFFAOYSA-N 0 1 387.423 1.653 20 0 GDADMN O=S(=O)(Nc1ccc(OCCO)cc1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826493141 609529481 /nfs/dbraw/zinc/52/94/81/609529481.db2.gz VMEDIHDHLSOXEP-UHFFFAOYSA-N 0 1 395.828 1.692 20 0 GDADMN Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259126 609530390 /nfs/dbraw/zinc/53/03/90/609530390.db2.gz ISGOKZWYYQYDBM-FUHWJXTLSA-N 0 1 392.467 1.717 20 0 GDADMN CCS(=O)(=O)NCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531005052 649985019 /nfs/dbraw/zinc/98/50/19/649985019.db2.gz HLBXYAQHMVIXPQ-HNNXBMFYSA-N 0 1 390.937 1.571 20 0 GDADMN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NCc2sccc2OC)c1 ZINC000531698827 649995298 /nfs/dbraw/zinc/99/52/98/649995298.db2.gz CKRVHNJPDGBWPC-NSHDSACASA-N 0 1 383.495 1.782 20 0 GDADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000532196681 650018712 /nfs/dbraw/zinc/01/87/12/650018712.db2.gz CSCBYUIOKTYNGV-ZUZCIYMTSA-N 0 1 383.901 1.986 20 0 GDADMN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)C1 ZINC000532740916 650031824 /nfs/dbraw/zinc/03/18/24/650031824.db2.gz OHXSHKOLGRYQLE-HUUCEWRRSA-N 0 1 388.921 1.276 20 0 GDADMN Cc1nc(C)c(S(=O)(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000532769806 650032220 /nfs/dbraw/zinc/03/22/20/650032220.db2.gz ZYTBLCUEEJYHRP-KRWDZBQOSA-N 0 1 381.523 1.675 20 0 GDADMN C[C@@H](CNCc1ccc(OCCN2CCOCC2)c(Cl)c1)S(C)(=O)=O ZINC000533129862 650042825 /nfs/dbraw/zinc/04/28/25/650042825.db2.gz RKNQNQNOCJSKQP-AWEZNQCLSA-N 0 1 390.933 1.574 20 0 GDADMN Cc1[nH]c(SCC(=O)NC[C@H](C)S(C)(=O)=O)nc1Cc1ccccc1 ZINC000533162814 650044124 /nfs/dbraw/zinc/04/41/24/650044124.db2.gz LWDORARSBFXYMP-LBPRGKRZSA-N 0 1 381.523 1.950 20 0 GDADMN 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650428547 /nfs/dbraw/zinc/42/85/47/650428547.db2.gz ZVLFWOMIFUQEHX-UHFFFAOYSA-N 0 1 382.467 1.112 20 0 GDADMN Cc1cc(Br)cn2cc(CCNC(=O)NCCN3CCC3)nc12 ZINC000544817448 650446227 /nfs/dbraw/zinc/44/62/27/650446227.db2.gz SVJNSAMXEYZPTO-UHFFFAOYSA-N 0 1 380.290 1.953 20 0 GDADMN CN(Cc1nc(Cn2cc(Br)cn2)no1)c1ncnc2[nH]cnc21 ZINC000546445415 650477552 /nfs/dbraw/zinc/47/75/52/650477552.db2.gz NKWSZJBWEYJLGZ-UHFFFAOYSA-N 0 1 390.205 1.380 20 0 GDADMN CC1=CCN(CCNC(=O)Nc2ccncc2I)CC1 ZINC000546584347 650479706 /nfs/dbraw/zinc/47/97/06/650479706.db2.gz KELXTOURTVPYEB-UHFFFAOYSA-N 0 1 386.237 1.882 20 0 GDADMN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1Cc1nnsc1Cl ZINC000546635816 650481985 /nfs/dbraw/zinc/48/19/85/650481985.db2.gz XSXAICADCHCMAR-MRXNPFEDSA-N 0 1 377.857 1.888 20 0 GDADMN CN(CC(=O)NCc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCSC1 ZINC000547320431 650495043 /nfs/dbraw/zinc/49/50/43/650495043.db2.gz PNOWWMOOUUIECG-MRXNPFEDSA-N 0 1 383.539 1.280 20 0 GDADMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548044404 650529128 /nfs/dbraw/zinc/52/91/28/650529128.db2.gz GFBVNQORBCGQOY-UHFFFAOYSA-N 0 1 383.495 1.505 20 0 GDADMN CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H](C)N2CCCC2)cc1F ZINC000548370430 650544425 /nfs/dbraw/zinc/54/44/25/650544425.db2.gz WFIFYEUOYKJRFP-LBPRGKRZSA-N 0 1 393.506 1.350 20 0 GDADMN CC1=CCN(CCNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000550631472 650595599 /nfs/dbraw/zinc/59/55/99/650595599.db2.gz QSEOJVZUIBCRPU-UHFFFAOYSA-N 0 1 376.404 1.955 20 0 GDADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1OC ZINC000551513210 650608393 /nfs/dbraw/zinc/60/83/93/650608393.db2.gz QDPMVLGIYNKOKG-ZYHUDNBSSA-N 0 1 390.889 1.896 20 0 GDADMN O=C(COc1ccc(I)cc1)NCCCc1nc[nH]n1 ZINC000551941528 650615702 /nfs/dbraw/zinc/61/57/02/650615702.db2.gz HNBRBIBVMINCBL-UHFFFAOYSA-N 0 1 386.193 1.537 20 0 GDADMN CC(=O)c1cc(Br)ccc1OCC(=O)N1CCc2[nH]nnc2C1 ZINC000552254434 650621821 /nfs/dbraw/zinc/62/18/21/650621821.db2.gz 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ZINC000564450783 650758370 /nfs/dbraw/zinc/75/83/70/650758370.db2.gz ZNLMJKCJCREIKY-GFCCVEGCSA-N 0 1 385.295 1.981 20 0 GDADMN CNS(=O)(=O)c1cc(NC(=O)c2ccc(Br)cn2)ccc1O ZINC000565677648 650807705 /nfs/dbraw/zinc/80/77/05/650807705.db2.gz JBJAMDCEQSYGHV-UHFFFAOYSA-N 0 1 386.227 1.710 20 0 GDADMN Cc1c(Br)cccc1CNC(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000565785158 650813784 /nfs/dbraw/zinc/81/37/84/650813784.db2.gz PGBYAUSDISCAOW-ZDUSSCGKSA-N 0 1 380.286 1.727 20 0 GDADMN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000566131601 650829399 /nfs/dbraw/zinc/82/93/99/650829399.db2.gz AQNNGRCIKSHEBG-LLVKDONJSA-N 0 1 383.861 1.143 20 0 GDADMN CC(=O)NCCN[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000566412803 650844779 /nfs/dbraw/zinc/84/47/79/650844779.db2.gz LERZSLQPVZSXBG-GFCCVEGCSA-N 0 1 377.750 1.716 20 0 GDADMN COC(=O)CC1(NCCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000566308881 650840678 /nfs/dbraw/zinc/84/06/78/650840678.db2.gz KWBPMAAAMCDIDI-UHFFFAOYSA-N 0 1 376.272 1.908 20 0 GDADMN O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1Cc1nc2cccc(Br)c2[nH]1 ZINC000566905970 650872809 /nfs/dbraw/zinc/87/28/09/650872809.db2.gz QJIUEHDCSZIHLL-GWCFXTLKSA-N 0 1 379.214 1.613 20 0 GDADMN COCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C)nc2)cc1 ZINC000567627112 650911592 /nfs/dbraw/zinc/91/15/92/650911592.db2.gz CYAZXLXOWUPYCR-UHFFFAOYSA-N 0 1 385.467 1.116 20 0 GDADMN CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCC(=O)NCc1cccs1 ZINC000047832096 644380856 /nfs/dbraw/zinc/38/08/56/644380856.db2.gz IKICGXACXTUREG-UHFFFAOYSA-N 0 1 386.426 1.732 20 0 GDADMN COc1c(C)c[nH+]c(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c1C ZINC000051162752 644409784 /nfs/dbraw/zinc/40/97/84/644409784.db2.gz QHTJURJJZZCEPZ-UHFFFAOYSA-N 0 1 384.479 1.589 20 0 GDADMN O=C([O-])C[N@H+]1CCCN(C(=O)c2cccc(I)c2)CC1 ZINC000061126064 644509493 /nfs/dbraw/zinc/50/94/93/644509493.db2.gz RDJOXHKVLPYPQR-UHFFFAOYSA-N 0 1 388.205 1.524 20 0 GDADMN CCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000068930870 644570058 /nfs/dbraw/zinc/57/00/58/644570058.db2.gz FWBZSBXOTVRIEZ-UHFFFAOYSA-N 0 1 392.153 1.553 20 0 GDADMN C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000069794133 644582771 /nfs/dbraw/zinc/58/27/71/644582771.db2.gz APDCTQAOUIJGTQ-NSHDSACASA-N 0 1 383.495 1.341 20 0 GDADMN O=C([N-]S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)o1 ZINC000114050708 644640723 /nfs/dbraw/zinc/64/07/23/644640723.db2.gz QULQQBROANRXIE-UHFFFAOYSA-N 0 1 383.857 1.725 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000568221562 650941683 /nfs/dbraw/zinc/94/16/83/650941683.db2.gz VRVFCGZYKYANER-HZMBPMFUSA-N 0 1 377.242 1.882 20 0 GDADMN C[N@H+](CC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1CCSC1 ZINC000122722119 644690077 /nfs/dbraw/zinc/69/00/77/644690077.db2.gz UFIQKCQVLSIMSA-SNVBAGLBSA-N 0 1 382.429 1.948 20 0 GDADMN C[N@@H+](CC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1CCSC1 ZINC000122722119 644690083 /nfs/dbraw/zinc/69/00/83/644690083.db2.gz UFIQKCQVLSIMSA-SNVBAGLBSA-N 0 1 382.429 1.948 20 0 GDADMN 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C[C@@H]1C[C@@H](NC(=O)N[C@H](C(=O)[O-])C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000909094017 939380089 /nfs/dbraw/zinc/38/00/89/939380089.db2.gz HDTLVJZAZNSALZ-OLMNPRSZSA-N 0 1 375.469 1.828 20 0 GDADMN COc1cccc([C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C(=O)[O-])c1 ZINC000929066363 939809694 /nfs/dbraw/zinc/80/96/94/939809694.db2.gz WUJPBRIXENYLFB-OAGGEKHMSA-N 0 1 379.482 1.700 20 0 GDADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccnn3C)cc2)C[C@@H](C)O1 ZINC001118260866 939811732 /nfs/dbraw/zinc/81/17/32/939811732.db2.gz PJJXWKOKTADNMK-HBUWYVDXSA-N 0 1 386.452 1.585 20 0 GDADMN Cn1ccnc1COCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123378782 939824163 /nfs/dbraw/zinc/82/41/63/939824163.db2.gz LDDMRTBFPHSCRK-HXUWFJFHSA-N 0 1 386.452 1.172 20 0 GDADMN C[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653531163 939837265 /nfs/dbraw/zinc/83/72/65/939837265.db2.gz ZXZZFIVVIGWJBI-VYGYDYRJSA-N 0 1 381.448 1.922 20 0 GDADMN C[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653531163 939837267 /nfs/dbraw/zinc/83/72/67/939837267.db2.gz ZXZZFIVVIGWJBI-VYGYDYRJSA-N 0 1 381.448 1.922 20 0 GDADMN C[N@@H+](CCOc1cccc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)c1)C1CCOCC1 ZINC000663114818 939856438 /nfs/dbraw/zinc/85/64/38/939856438.db2.gz RDXFUMSBLFBIRP-IBGZPJMESA-N 0 1 390.480 1.903 20 0 GDADMN O=C(Cc1nnc[nH]1)N[C@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571258643 945361873 /nfs/dbraw/zinc/36/18/73/945361873.db2.gz YCXRVUKJWFTOAX-MNOVXSKESA-N 0 1 385.407 1.206 20 0 GDADMN O=C([O-])CC[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC001601976434 971099226 /nfs/dbraw/zinc/09/92/26/971099226.db2.gz ADRJZSDNWYRPOD-OAHLLOKOSA-N 0 1 387.480 1.772 20 0 GDADMN CC(C)CN1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735835396 944703092 /nfs/dbraw/zinc/70/30/92/944703092.db2.gz ISZVIUCCSDQXKT-SFHVURJKSA-N 0 1 383.500 1.636 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1-c1nn[nH]n1 ZINC000737186115 944979190 /nfs/dbraw/zinc/97/91/90/944979190.db2.gz HFJSQJOMVHTZRD-WHGOUJPWSA-N 0 1 376.442 1.233 20 0 GDADMN COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001571262389 945437044 /nfs/dbraw/zinc/43/70/44/945437044.db2.gz RKFWUYNNHFEWRY-TXEJJXNPSA-N 0 1 385.453 1.382 20 0 GDADMN COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001571262389 945437055 /nfs/dbraw/zinc/43/70/55/945437055.db2.gz RKFWUYNNHFEWRY-TXEJJXNPSA-N 0 1 385.453 1.382 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)c3cnsn3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571263913 945469661 /nfs/dbraw/zinc/46/96/61/945469661.db2.gz ZPGSDESQSQDZHC-NSHDSACASA-N 0 1 385.457 1.211 20 0 GDADMN COc1ccsc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571270274 945632688 /nfs/dbraw/zinc/63/26/88/945632688.db2.gz PCOFECULOXKNBF-JTQLQIEISA-N 0 1 386.441 1.126 20 0 GDADMN Cc1n[nH]cc1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)[C@H]1C ZINC001571271575 945644973 /nfs/dbraw/zinc/64/49/73/945644973.db2.gz DTTLNNJVHSPDSJ-FZMZJTMJSA-N 0 1 386.485 1.743 20 0 GDADMN Cc1nc(CN[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(C)s1 ZINC001571271534 945645066 /nfs/dbraw/zinc/64/50/66/945645066.db2.gz CPXFYAGLYZCFNJ-LBPRGKRZSA-N 0 1 386.485 1.663 20 0 GDADMN O=C(NC[C@H]1CCCCN1CCc1ccns1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571271833 945652777 /nfs/dbraw/zinc/65/27/77/945652777.db2.gz KTLTXFWANMTLLT-CYBMUJFWSA-N 0 1 386.485 1.478 20 0 GDADMN CN(CCC1CCOCC1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821599336 945738479 /nfs/dbraw/zinc/73/84/79/945738479.db2.gz PGWHPTWDURMWCH-CQSZACIVSA-N 0 1 376.486 1.782 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[nH]n3)C[C@H]2C)n[nH]1 ZINC001571281967 945824642 /nfs/dbraw/zinc/82/46/42/945824642.db2.gz QFNQXSCYBRGXSI-KOLCDFICSA-N 0 1 387.473 1.768 20 0 GDADMN Cc1ncc(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@@H]2C)o1 ZINC001571282040 945828575 /nfs/dbraw/zinc/82/85/75/945828575.db2.gz RJEZXSSFPDBKNH-HZMBPMFUSA-N 0 1 387.469 1.546 20 0 GDADMN Cc1ncc(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@@H]2C)o1 ZINC001571282040 945828590 /nfs/dbraw/zinc/82/85/90/945828590.db2.gz RJEZXSSFPDBKNH-HZMBPMFUSA-N 0 1 387.469 1.546 20 0 GDADMN O=C(N[C@H]1CCN(CCOC2CCCCCC2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283353 945882355 /nfs/dbraw/zinc/88/23/55/945882355.db2.gz DEMALMJVBHPEKJ-HNNXBMFYSA-N 0 1 387.488 1.738 20 0 GDADMN O=C(NC[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1)C1CCC1 ZINC001571287789 945977360 /nfs/dbraw/zinc/97/73/60/945977360.db2.gz IATDJGKJSXRZQH-MRXNPFEDSA-N 0 1 388.447 1.513 20 0 GDADMN O=C(CCN1CC[C@H](F)C1)NC1(c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001571288741 945992849 /nfs/dbraw/zinc/99/28/49/945992849.db2.gz SLYCEJRILUWQGV-INIZCTEOSA-N 0 1 388.447 1.423 20 0 GDADMN C[C@H]1CN(C(=O)c2cnon2)CC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290095 946029776 /nfs/dbraw/zinc/02/97/76/946029776.db2.gz VDCRMTGDFKGYFO-QWRGUYRKSA-N 0 1 388.457 1.199 20 0 GDADMN C[C@H]1CN(C(=O)c2cnon2)CC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290095 946029785 /nfs/dbraw/zinc/02/97/85/946029785.db2.gz VDCRMTGDFKGYFO-QWRGUYRKSA-N 0 1 388.457 1.199 20 0 GDADMN O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccoc1Cl ZINC001571290441 946041514 /nfs/dbraw/zinc/04/15/14/946041514.db2.gz FFOXHTRAZFPERN-NXEZZACHSA-N 0 1 388.819 1.478 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)cc1F ZINC001571290401 946042735 /nfs/dbraw/zinc/04/27/35/946042735.db2.gz CZANORGPCFRDDR-SNVBAGLBSA-N 0 1 388.794 1.458 20 0 GDADMN O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290488 946046151 /nfs/dbraw/zinc/04/61/51/946046151.db2.gz GMSPHUDPEQHIKE-VHSXEESVSA-N 0 1 388.819 1.336 20 0 GDADMN O=C(N[C@@H]1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1ncn[nH]1 ZINC001571290784 946057913 /nfs/dbraw/zinc/05/79/13/946057913.db2.gz OWCIJPYIHPRKLR-WCBMZHEXSA-N 0 1 388.823 1.044 20 0 GDADMN O=C(N[C@@H]1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2Cl)C1)c1nc[nH]n1 ZINC001571290784 946057927 /nfs/dbraw/zinc/05/79/27/946057927.db2.gz OWCIJPYIHPRKLR-WCBMZHEXSA-N 0 1 388.823 1.044 20 0 GDADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C1CC(F)(F)C1 ZINC001571292382 946096301 /nfs/dbraw/zinc/09/63/01/946096301.db2.gz YRQYQNHCHKVBQK-KBPBESRZSA-N 0 1 389.410 1.568 20 0 GDADMN Cc1nn(-c2ccccc2)c(COC(=O)CCc2nc[nH]n2)c1-c1nn[nH]n1 ZINC000822487017 946102939 /nfs/dbraw/zinc/10/29/39/946102939.db2.gz XQIAGNBDSAHKHB-UHFFFAOYSA-N 0 1 379.384 1.155 20 0 GDADMN Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](Cc3cnn(C)c3)C2)c(-c2nn[nH]n2)c1C ZINC000822541014 946118583 /nfs/dbraw/zinc/11/85/83/946118583.db2.gz KODMUTAITSSAHJ-OCCSQVGLSA-N 0 1 398.471 1.702 20 0 GDADMN O=C(N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)C1(F)CCOCC1 ZINC001571293955 946120155 /nfs/dbraw/zinc/12/01/55/946120155.db2.gz WXHVQQQAGXATHG-ZDUSSCGKSA-N 0 1 389.435 1.256 20 0 GDADMN C[C@@H]1CN(C(=O)c2ccc(C3CC3)cn2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571298331 946213530 /nfs/dbraw/zinc/21/35/30/946213530.db2.gz DFFNINVZQYVPMA-KZULUSFZSA-N 0 1 390.451 1.529 20 0 GDADMN O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)CCCO1)C1CCCC1 ZINC001571298643 946225184 /nfs/dbraw/zinc/22/51/84/946225184.db2.gz BTRCCTQPYIRXSD-CQSZACIVSA-N 0 1 390.513 1.826 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001571299379 946249355 /nfs/dbraw/zinc/24/93/55/946249355.db2.gz LXBKHPNWTONAEH-BHPKHCPMSA-N 0 1 390.513 1.728 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001571299379 946249359 /nfs/dbraw/zinc/24/93/59/946249359.db2.gz LXBKHPNWTONAEH-BHPKHCPMSA-N 0 1 390.513 1.728 20 0 GDADMN Cc1ccc(C)c(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c1 ZINC001571300153 946274295 /nfs/dbraw/zinc/27/42/95/946274295.db2.gz ZWHHMKMEOJINAV-GOEBONIOSA-N 0 1 390.451 1.624 20 0 GDADMN Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571300200 946275658 /nfs/dbraw/zinc/27/56/58/946275658.db2.gz WPCMJTDPPQGHTI-OLZOCXBDSA-N 0 1 390.517 1.199 20 0 GDADMN Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571300200 946275667 /nfs/dbraw/zinc/27/56/67/946275667.db2.gz WPCMJTDPPQGHTI-OLZOCXBDSA-N 0 1 390.517 1.199 20 0 GDADMN CCc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571303516 946339502 /nfs/dbraw/zinc/33/95/02/946339502.db2.gz MVCUSSOITVZZMQ-KFWWJZLASA-N 0 1 391.439 1.154 20 0 GDADMN Cc1ncncc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571305498 946364255 /nfs/dbraw/zinc/36/42/55/946364255.db2.gz CLFIMUJFNZFYTG-MRVPVSSYSA-N 0 1 391.848 1.084 20 0 GDADMN O=C(CCc1ccncc1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571305603 946369203 /nfs/dbraw/zinc/36/92/03/946369203.db2.gz HAWCJGQSEAZAHM-UHFFFAOYSA-N 0 1 391.479 1.929 20 0 GDADMN CCc1ccc(CC(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC001571307023 946415023 /nfs/dbraw/zinc/41/50/23/946415023.db2.gz UGYCHSNUJIMCDI-IBGZPJMESA-N 0 1 391.479 1.757 20 0 GDADMN O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823356408 946416180 /nfs/dbraw/zinc/41/61/80/946416180.db2.gz LJXPOHQOJJMDBT-UHFFFAOYSA-N 0 1 379.384 1.160 20 0 GDADMN O=C([C@@H]1CCC1(F)F)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571308082 946429523 /nfs/dbraw/zinc/42/95/23/946429523.db2.gz LXJZKBZNFHFMOQ-NEPJUHHUSA-N 0 1 392.414 1.165 20 0 GDADMN O=C([C@@H]1CCC1(F)F)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571308082 946429533 /nfs/dbraw/zinc/42/95/33/946429533.db2.gz LXJZKBZNFHFMOQ-NEPJUHHUSA-N 0 1 392.414 1.165 20 0 GDADMN CCc1cccnc1C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571313034 946509613 /nfs/dbraw/zinc/50/96/13/946509613.db2.gz IJYTZINEMSURHZ-HNNXBMFYSA-N 0 1 392.467 1.666 20 0 GDADMN Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C3)n1 ZINC001571315420 946552421 /nfs/dbraw/zinc/55/24/21/946552421.db2.gz JZJLQPHGEWQVKY-YWZLYKJASA-N 0 1 392.467 1.683 20 0 GDADMN Cc1cnn(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571316715 946584606 /nfs/dbraw/zinc/58/46/06/946584606.db2.gz KOXURDFXORFVIS-ZACQAIPSSA-N 0 1 392.467 1.444 20 0 GDADMN Cc1ccccc1[C@H](C)C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316904 946593176 /nfs/dbraw/zinc/59/31/76/946593176.db2.gz PMLPQWGSWURMRW-NFOMZHRRSA-N 0 1 392.467 1.592 20 0 GDADMN O=C(CCc1cccnc1)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571317118 946602476 /nfs/dbraw/zinc/60/24/76/946602476.db2.gz VQEHXLWPXUZKQK-UHFFFAOYSA-N 0 1 392.467 1.362 20 0 GDADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001571317496 946610939 /nfs/dbraw/zinc/61/09/39/946610939.db2.gz KALWADPCFXAKGA-ZDUSSCGKSA-N 0 1 392.529 1.902 20 0 GDADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001571317496 946610947 /nfs/dbraw/zinc/61/09/47/946610947.db2.gz KALWADPCFXAKGA-ZDUSSCGKSA-N 0 1 392.529 1.902 20 0 GDADMN C=C/C(C)=C\CC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O ZINC001573318891 947317585 /nfs/dbraw/zinc/31/75/85/947317585.db2.gz SYXBQJSOPXTARQ-QPGUZKIZSA-N 0 1 395.876 1.165 20 0 GDADMN CCn1cc(CN2CCCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)cn1 ZINC000825799993 947336403 /nfs/dbraw/zinc/33/64/03/947336403.db2.gz YBDPEXIIVNEAJF-UHFFFAOYSA-N 0 1 392.471 1.443 20 0 GDADMN C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccco1 ZINC001573593192 947364956 /nfs/dbraw/zinc/36/49/56/947364956.db2.gz IRNVTBWXFWVDGN-WCQYABFASA-N 0 1 382.428 1.124 20 0 GDADMN C[C@@H](C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001573594351 947393192 /nfs/dbraw/zinc/39/31/92/947393192.db2.gz YIABESFUVSQRFX-CXAGYDPISA-N 0 1 385.472 1.504 20 0 GDADMN CC(C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)=C1CCC1 ZINC001573594343 947393396 /nfs/dbraw/zinc/39/33/96/947393396.db2.gz YDRFLHLMHVTUQD-AWEZNQCLSA-N 0 1 390.513 1.680 20 0 GDADMN CC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)=C1CCC1 ZINC001573594343 947393411 /nfs/dbraw/zinc/39/34/11/947393411.db2.gz YDRFLHLMHVTUQD-AWEZNQCLSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573597417 947437307 /nfs/dbraw/zinc/43/73/07/947437307.db2.gz OFPPSVXTWCFCAP-ZDUSSCGKSA-N 0 1 381.444 1.140 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(F)F ZINC001573597940 947439316 /nfs/dbraw/zinc/43/93/16/947439316.db2.gz PNAAPXMDNXEPSE-UWVGGRQHSA-N 0 1 388.444 1.128 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(F)F ZINC001573597940 947439322 /nfs/dbraw/zinc/43/93/22/947439322.db2.gz PNAAPXMDNXEPSE-UWVGGRQHSA-N 0 1 388.444 1.128 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCCO1 ZINC001573603012 947476321 /nfs/dbraw/zinc/47/63/21/947476321.db2.gz IUYWXTHTCRVXSV-GUYCJALGSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@H](C(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1)n1cccc1 ZINC001573604506 947512376 /nfs/dbraw/zinc/51/23/76/947512376.db2.gz ODZGLMBSXKHPQB-SECBINFHSA-N 0 1 380.865 1.910 20 0 GDADMN C[C@@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573613516 947564695 /nfs/dbraw/zinc/56/46/95/947564695.db2.gz BNZZLJHXCMPTIA-JLTOFOAXSA-N 0 1 392.467 1.533 20 0 GDADMN COc1cc(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])cc(Cl)c1OCC(N)=O ZINC000327456402 971401354 /nfs/dbraw/zinc/40/13/54/971401354.db2.gz QCFNIXOADWDVJX-LLVKDONJSA-N 0 1 388.873 1.605 20 0 GDADMN COc1cc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc(Cl)c1OCC(N)=O ZINC000327456402 971401356 /nfs/dbraw/zinc/40/13/56/971401356.db2.gz QCFNIXOADWDVJX-LLVKDONJSA-N 0 1 388.873 1.605 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573352127 947626111 /nfs/dbraw/zinc/62/61/11/947626111.db2.gz VXJLMDDTNGZZJT-CJNGLKHVSA-N 0 1 390.451 1.684 20 0 GDADMN C=Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573354400 947632664 /nfs/dbraw/zinc/63/26/64/947632664.db2.gz BTDLLFHOHOGDBK-CHWSQXEVSA-N 0 1 378.440 1.731 20 0 GDADMN C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573358886 947672556 /nfs/dbraw/zinc/67/25/56/947672556.db2.gz KZVGLXQYTSPZDB-HNNXBMFYSA-N 0 1 390.451 1.946 20 0 GDADMN C[C@@H](C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573626593 947712793 /nfs/dbraw/zinc/71/27/93/947712793.db2.gz WBVWUSWPJALTCT-CYBMUJFWSA-N 0 1 378.440 1.285 20 0 GDADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3cccc(-c4nn[nH]n4)c3C)[nH]c21 ZINC000826240877 947713848 /nfs/dbraw/zinc/71/38/48/947713848.db2.gz KBUCJNGNTDVLBT-UHFFFAOYSA-N 0 1 390.407 1.615 20 0 GDADMN C[C@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573627432 947724615 /nfs/dbraw/zinc/72/46/15/947724615.db2.gz BHOIHWMMDUEXEU-AAEUAGOBSA-N 0 1 384.469 1.347 20 0 GDADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573627724 947732976 /nfs/dbraw/zinc/73/29/76/947732976.db2.gz FRYVVLQQJABLRR-DZGCQCFKSA-N 0 1 384.488 1.698 20 0 GDADMN C/C(=C\C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)C1CC1 ZINC001573366341 947739143 /nfs/dbraw/zinc/73/91/43/947739143.db2.gz VRAYEBABSSXVCO-QQAGXBGCSA-N 0 1 380.456 1.298 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001573628496 947756727 /nfs/dbraw/zinc/75/67/27/947756727.db2.gz MDMXMBBMTNGJHK-HUUCEWRRSA-N 0 1 380.456 1.752 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1)C(C)(F)F ZINC001573629012 947769873 /nfs/dbraw/zinc/76/98/73/947769873.db2.gz QDRXXTNZZGYFFV-NWDGAFQWSA-N 0 1 379.415 1.980 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573372787 947782409 /nfs/dbraw/zinc/78/24/09/947782409.db2.gz CLWWYVQEHXKRON-CYBMUJFWSA-N 0 1 376.486 1.768 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573372787 947782414 /nfs/dbraw/zinc/78/24/14/947782414.db2.gz CLWWYVQEHXKRON-CYBMUJFWSA-N 0 1 376.486 1.768 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC001573373348 947792525 /nfs/dbraw/zinc/79/25/25/947792525.db2.gz IDJIRCXRXJIKCJ-OCCSQVGLSA-N 0 1 376.486 1.767 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC001573373348 947792533 /nfs/dbraw/zinc/79/25/33/947792533.db2.gz IDJIRCXRXJIKCJ-OCCSQVGLSA-N 0 1 376.486 1.767 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573631463 947803113 /nfs/dbraw/zinc/80/31/13/947803113.db2.gz VIDIIDPWSHOJTE-HIFRSBDPSA-N 0 1 384.488 1.910 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573374174 947806644 /nfs/dbraw/zinc/80/66/44/947806644.db2.gz NEJCVPVHHLMCIN-CQSZACIVSA-N 0 1 386.460 1.021 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@H]1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573374598 947810316 /nfs/dbraw/zinc/81/03/16/947810316.db2.gz OJQGXYBFGJQVFH-INIZCTEOSA-N 0 1 388.447 1.846 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573376023 947830474 /nfs/dbraw/zinc/83/04/74/947830474.db2.gz VMPMHEPNOKGLTR-HNNXBMFYSA-N 0 1 385.472 1.402 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1F ZINC001573642186 947859216 /nfs/dbraw/zinc/85/92/16/947859216.db2.gz OJNYRSBXOMSBFP-LBPRGKRZSA-N 0 1 382.403 1.248 20 0 GDADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc(F)cc3-c3nn[nH]n3)[nH]c21 ZINC000826304687 947873495 /nfs/dbraw/zinc/87/34/95/947873495.db2.gz UPWQOHAFLXXHQW-UHFFFAOYSA-N 0 1 394.370 1.445 20 0 GDADMN CC(=O)CCCC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573381930 947879593 /nfs/dbraw/zinc/87/95/93/947879593.db2.gz ZWLVRAIYXVPPOI-HNNXBMFYSA-N 0 1 385.472 1.662 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573648279 947906933 /nfs/dbraw/zinc/90/69/33/947906933.db2.gz YGDWBCIFYQMHRH-GRYCIOLGSA-N 0 1 394.430 1.266 20 0 GDADMN C[C@@H](C(=O)N=[S@](C)(=O)c1cccc(Cl)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573651030 947917169 /nfs/dbraw/zinc/91/71/69/947917169.db2.gz IMABSOAQNXWYFV-HUVZLPTESA-N 0 1 380.821 1.356 20 0 GDADMN C[C@H](C(=O)N[C@@](C)(CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573652262 947933932 /nfs/dbraw/zinc/93/39/32/947933932.db2.gz BYWYKJOJZFNTKT-YJYMSZOUSA-N 0 1 380.456 1.443 20 0 GDADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(F)cc3-c3nn[nH]n3)cc12 ZINC000826334050 947968060 /nfs/dbraw/zinc/96/80/60/947968060.db2.gz FWVDSBWDTUIPSU-UHFFFAOYSA-N 0 1 388.388 1.397 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1-c1nnn[n-]1 ZINC000826343565 947992914 /nfs/dbraw/zinc/99/29/14/947992914.db2.gz GIAAERJBDFFUFM-UHFFFAOYSA-N 0 1 387.419 1.435 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1-c1nn[n-]n1 ZINC000826343565 947992919 /nfs/dbraw/zinc/99/29/19/947992919.db2.gz GIAAERJBDFFUFM-UHFFFAOYSA-N 0 1 387.419 1.435 20 0 GDADMN Cc1onc(CC(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c1-c1nn[n-]n1 ZINC000826343561 947993043 /nfs/dbraw/zinc/99/30/43/947993043.db2.gz GEPQSJIMFLDMSQ-UHFFFAOYSA-N 0 1 385.428 1.002 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(F)F ZINC001573664070 948045341 /nfs/dbraw/zinc/04/53/41/948045341.db2.gz RTQZCPWKTYUVKJ-QWRGUYRKSA-N 0 1 392.414 1.423 20 0 GDADMN Cc1onc(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826347349 948053710 /nfs/dbraw/zinc/05/37/10/948053710.db2.gz OFFHHQBBVYJFCC-UHFFFAOYSA-N 0 1 381.440 1.270 20 0 GDADMN Cc1onc(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826347349 948053717 /nfs/dbraw/zinc/05/37/17/948053717.db2.gz OFFHHQBBVYJFCC-UHFFFAOYSA-N 0 1 381.440 1.270 20 0 GDADMN Cc1onc(CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826347349 948053725 /nfs/dbraw/zinc/05/37/25/948053725.db2.gz OFFHHQBBVYJFCC-UHFFFAOYSA-N 0 1 381.440 1.270 20 0 GDADMN Cc1onc(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826347349 948053730 /nfs/dbraw/zinc/05/37/30/948053730.db2.gz OFFHHQBBVYJFCC-UHFFFAOYSA-N 0 1 381.440 1.270 20 0 GDADMN C[C@@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)C(F)(F)F ZINC001573691853 948248398 /nfs/dbraw/zinc/24/83/98/948248398.db2.gz JGEYPNIUCYOITM-VIFPVBQESA-N 0 1 386.353 1.943 20 0 GDADMN CC(=O)N1CC[C@H](OC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)c2ccccc21 ZINC001573439651 948248612 /nfs/dbraw/zinc/24/86/12/948248612.db2.gz NXOFWJOOMLAFEU-HZMBPMFUSA-N 0 1 382.384 1.060 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1ccco1 ZINC001573695250 948303906 /nfs/dbraw/zinc/30/39/06/948303906.db2.gz FUSZJIIGXIKQHJ-GBOPCIDUSA-N 0 1 379.424 1.457 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573704082 948364275 /nfs/dbraw/zinc/36/42/75/948364275.db2.gz OTXDLCSUGQIELY-RYUDHWBXSA-N 0 1 384.469 1.607 20 0 GDADMN O=C1[C@H](N2CCC[C@@H](n3ccnc3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476418 948381116 /nfs/dbraw/zinc/38/11/16/948381116.db2.gz HJSKMMVJTSJZOS-QZTJIDSGSA-N 0 1 392.467 1.896 20 0 GDADMN O=C1[C@@H](N2CCC(c3cn[nH]c3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476594 948384186 /nfs/dbraw/zinc/38/41/86/948384186.db2.gz KWSUWXXDOQSZFI-SFHVURJKSA-N 0 1 392.467 1.965 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)C(F)(F)F ZINC001573716970 948502879 /nfs/dbraw/zinc/50/28/79/948502879.db2.gz AACCMRQUBHXAMB-RXMQYKEDSA-N 0 1 383.787 1.727 20 0 GDADMN C[C@@H](C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)C1CCC1 ZINC001573717866 948512347 /nfs/dbraw/zinc/51/23/47/948512347.db2.gz NXKSMCOTHFKSOG-UMVBOHGHSA-N 0 1 384.488 1.672 20 0 GDADMN C[C@H](C(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1 ZINC001573717966 948513824 /nfs/dbraw/zinc/51/38/24/948513824.db2.gz FXQSWBKJBSGKDQ-ZDUSSCGKSA-N 0 1 384.488 1.300 20 0 GDADMN C[C@@H](C(=O)NCC[C@H](C)Nc1ccncc1-c1nn[nH]n1)c1ccccc1F ZINC001573718936 948520938 /nfs/dbraw/zinc/52/09/38/948520938.db2.gz VCPGZHZFSNSAHT-QWHCGFSZSA-N 0 1 383.431 1.933 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573736088 948612999 /nfs/dbraw/zinc/61/29/99/948612999.db2.gz HQWGUFFHDOUMCF-FSPWUOQZSA-N 0 1 392.467 1.722 20 0 GDADMN C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574914456 948747766 /nfs/dbraw/zinc/74/77/66/948747766.db2.gz KBFDKWVLUOUPBU-SECBINFHSA-N 0 1 392.876 1.343 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575221713 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0 1 384.734 1.913 20 0 GDADMN CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574418218 948777171 /nfs/dbraw/zinc/77/71/71/948777171.db2.gz VRKXBDHRHGATIO-NEPJUHHUSA-N 0 1 381.444 1.216 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916557 948779170 /nfs/dbraw/zinc/77/91/70/948779170.db2.gz DHKUKDDHDZMFRK-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CNC(=O)CCc1ccncn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916557 948779183 /nfs/dbraw/zinc/77/91/83/948779183.db2.gz DHKUKDDHDZMFRK-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN CC(C)c1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574419599 948785946 /nfs/dbraw/zinc/78/59/46/948785946.db2.gz GFLSCPNOZUXTAI-HWWDLCQESA-N 0 1 392.467 1.573 20 0 GDADMN CC(C)[C@H](F)C(=O)NCc1ccc(CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001574080190 948786817 /nfs/dbraw/zinc/78/68/17/948786817.db2.gz JNKTWCNWYOSCSC-HNNXBMFYSA-N 0 1 384.419 1.301 20 0 GDADMN CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001575224752 948792563 /nfs/dbraw/zinc/79/25/63/948792563.db2.gz YHSZWZDPRUCQLU-LLVKDONJSA-N 0 1 377.399 1.522 20 0 GDADMN CC(C)c1ccoc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574421368 948815571 /nfs/dbraw/zinc/81/55/71/948815571.db2.gz JLBRCZZNYBBCGH-LBPRGKRZSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@H](CNC(=O)CCCn1cccc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917731 948822782 /nfs/dbraw/zinc/82/27/82/948822782.db2.gz ABKVLGMVGYBCTE-CQSZACIVSA-N 0 1 385.447 1.882 20 0 GDADMN CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574424362 948847562 /nfs/dbraw/zinc/84/75/62/948847562.db2.gz MHSZHNGZQIRXBD-LLVKDONJSA-N 0 1 387.469 1.071 20 0 GDADMN CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)s1 ZINC001574427355 948903278 /nfs/dbraw/zinc/90/32/78/948903278.db2.gz CVCKIOPEQWICAI-XYPYZODXSA-N 0 1 384.469 1.636 20 0 GDADMN CC(C)c1ncc(C(=O)N[C@@H](C)[C@H](C)Nc2ccncc2-c2nn[nH]n2)s1 ZINC001574427827 948914108 /nfs/dbraw/zinc/91/41/08/948914108.db2.gz RDEGUGFMWFYIFB-QWRGUYRKSA-N 0 1 386.485 1.882 20 0 GDADMN CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575236098 948934597 /nfs/dbraw/zinc/93/45/97/948934597.db2.gz VSAWMXQWLVAPQM-PIGZYNQJSA-N 0 1 392.414 1.710 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001574089016 948943088 /nfs/dbraw/zinc/94/30/88/948943088.db2.gz FQRVHJNIGJKSNR-OCABDXPQSA-N 0 1 384.459 1.844 20 0 GDADMN CC(C)(C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O)C1CC1 ZINC001573773268 948976514 /nfs/dbraw/zinc/97/65/14/948976514.db2.gz IXWZVYPFALGDPC-KBPBESRZSA-N 0 1 390.513 1.416 20 0 GDADMN CC(C)(C(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C1CC1 ZINC001573773426 948984477 /nfs/dbraw/zinc/98/44/77/948984477.db2.gz BQBGBFBZYOPWLX-QMMMGPOBSA-N 0 1 385.881 1.302 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574926782 949019686 /nfs/dbraw/zinc/01/96/86/949019686.db2.gz XJXIUGIWYRNYJZ-SECBINFHSA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[N@H+](C)CC(=O)NC[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574926782 949019701 /nfs/dbraw/zinc/01/97/01/949019701.db2.gz XJXIUGIWYRNYJZ-SECBINFHSA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001573779235 949052354 /nfs/dbraw/zinc/05/23/54/949052354.db2.gz DSAKNSKGPHPRHD-OAHLLOKOSA-N 0 1 392.467 1.720 20 0 GDADMN C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574693781 949058984 /nfs/dbraw/zinc/05/89/84/949058984.db2.gz JGCHKTPZUBIGRR-CYBMUJFWSA-N 0 1 380.456 1.315 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001602789045 971540989 /nfs/dbraw/zinc/54/09/89/971540989.db2.gz GIUDZSKZSAPYDG-HZPDHXFCSA-N 0 1 375.473 1.091 20 0 GDADMN CC(C)c1occc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441791 949076425 /nfs/dbraw/zinc/07/64/25/949076425.db2.gz XFPIENGQAGTKQO-LBPRGKRZSA-N 0 1 382.428 1.724 20 0 GDADMN CC(C)c1nocc1C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574441887 949083791 /nfs/dbraw/zinc/08/37/91/949083791.db2.gz DOTDPRBSDCLYPJ-LBPRGKRZSA-N 0 1 382.428 1.369 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001574445790 949115835 /nfs/dbraw/zinc/11/58/35/949115835.db2.gz DBFDJHDOXXXGKC-LBPRGKRZSA-N 0 1 382.428 1.772 20 0 GDADMN CC(C)c1occc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574446090 949121460 /nfs/dbraw/zinc/12/14/60/949121460.db2.gz ICQYSAVIAUCEDP-NSHDSACASA-N 0 1 390.469 1.525 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575252432 949162439 /nfs/dbraw/zinc/16/24/39/949162439.db2.gz QHXGAZIECQCBGY-RKDXNWHRSA-N 0 1 386.382 1.362 20 0 GDADMN CC(C)c1ocnc1CNCC1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574449383 949197871 /nfs/dbraw/zinc/19/78/71/949197871.db2.gz QEOPAABBJUNPBR-UHFFFAOYSA-N 0 1 384.444 1.604 20 0 GDADMN CC(C)c1oncc1C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001574449866 949201153 /nfs/dbraw/zinc/20/11/53/949201153.db2.gz UDGUOEZJCBRYJY-UHFFFAOYSA-N 0 1 382.428 1.416 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574936087 949212175 /nfs/dbraw/zinc/21/21/75/949212175.db2.gz HGGUZURUZSIFHH-JTQLQIEISA-N 0 1 389.822 1.635 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699060 949223463 /nfs/dbraw/zinc/22/34/63/949223463.db2.gz RXXXTKRGCWGDPV-ZIAGYGMSSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576151514 949227446 /nfs/dbraw/zinc/22/74/46/949227446.db2.gz GCRIOWRJWBYOCH-ZQDZILKHSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574699084 949230566 /nfs/dbraw/zinc/23/05/66/949230566.db2.gz SGXPASJORYHGEC-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574699084 949230580 /nfs/dbraw/zinc/23/05/80/949230580.db2.gz SGXPASJORYHGEC-KGLIPLIRSA-N 0 1 387.492 1.180 20 0 GDADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001575854437 949234621 /nfs/dbraw/zinc/23/46/21/949234621.db2.gz WXZFTBNVXSBYFC-AWEZNQCLSA-N 0 1 385.472 1.293 20 0 GDADMN CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573792764 949262984 /nfs/dbraw/zinc/26/29/84/949262984.db2.gz VAADLSPIXOINHF-DGAVXFQQSA-N 0 1 382.472 1.376 20 0 GDADMN C[C@H](CN(C)C(=O)C1(C)CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574701551 949265479 /nfs/dbraw/zinc/26/54/79/949265479.db2.gz BSHMXOZQEXBFIQ-CYBMUJFWSA-N 0 1 390.463 1.759 20 0 GDADMN CC(C)n1cc(C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)s2)cn1 ZINC001574452543 949269316 /nfs/dbraw/zinc/26/93/16/949269316.db2.gz MSIVZARWNGYPKG-UHFFFAOYSA-N 0 1 388.501 1.910 20 0 GDADMN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc3cc(-c4nn[nH]n4)ccc3[nH]1)CS2 ZINC001575860070 949285156 /nfs/dbraw/zinc/28/51/56/949285156.db2.gz CFNWGTLPVNVATB-BZNIZROVSA-N 0 1 384.425 1.136 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574702769 949293785 /nfs/dbraw/zinc/29/37/85/949293785.db2.gz LOIWDKYMOGKTSU-SJKOYZFVSA-N 0 1 378.502 1.681 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574702769 949293812 /nfs/dbraw/zinc/29/38/12/949293812.db2.gz LOIWDKYMOGKTSU-SJKOYZFVSA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)n1ccc(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574455027 949302767 /nfs/dbraw/zinc/30/27/67/949302767.db2.gz LPCQUTVWWKBGKF-UHFFFAOYSA-N 0 1 381.444 1.176 20 0 GDADMN CC(C)(C)C(=O)N1CCCO[C@H](CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573794188 949314202 /nfs/dbraw/zinc/31/42/02/949314202.db2.gz CFVHQDKIBLSPDC-OAHLLOKOSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](NC(=O)C1CCC(O)CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575260651 949359218 /nfs/dbraw/zinc/35/92/18/949359218.db2.gz WQTLWNFJUCYYFI-LKSINWNRSA-N 0 1 390.513 1.416 20 0 GDADMN C[C@H](CN(C)C(=O)C12CCC(CC1)C2(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704293 949381640 /nfs/dbraw/zinc/38/16/40/949381640.db2.gz MCEXLTJMZWDIJO-BYKITBGFSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574704877 949409291 /nfs/dbraw/zinc/40/92/91/949409291.db2.gz FKHBWPQYUWMCOR-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574704877 949409303 /nfs/dbraw/zinc/40/93/03/949409303.db2.gz FKHBWPQYUWMCOR-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574704877 949409307 /nfs/dbraw/zinc/40/93/07/949409307.db2.gz FKHBWPQYUWMCOR-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574704877 949409316 /nfs/dbraw/zinc/40/93/16/949409316.db2.gz FKHBWPQYUWMCOR-UKRRQHHQSA-N 0 1 387.492 1.178 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@H](CCNc3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575534193 949423126 /nfs/dbraw/zinc/42/31/26/949423126.db2.gz KXLKLSLTLGRICA-IFXJQAMLSA-N 0 1 385.472 1.151 20 0 GDADMN CC(C)(C)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573802889 949429346 /nfs/dbraw/zinc/42/93/46/949429346.db2.gz KUYSACGWAOFYMW-UHFFFAOYSA-N 0 1 391.545 1.645 20 0 GDADMN CC(C)(C)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573802889 949429361 /nfs/dbraw/zinc/42/93/61/949429361.db2.gz KUYSACGWAOFYMW-UHFFFAOYSA-N 0 1 391.545 1.645 20 0 GDADMN CC(C)CC(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CCOCC1 ZINC001574116591 949430031 /nfs/dbraw/zinc/43/00/31/949430031.db2.gz AWDHKDGQVFJQRM-UHFFFAOYSA-N 0 1 390.463 1.807 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575265251 949444806 /nfs/dbraw/zinc/44/48/06/949444806.db2.gz SNSUDYNHBCGHNI-CHWSQXEVSA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575265251 949444822 /nfs/dbraw/zinc/44/48/22/949444822.db2.gz SNSUDYNHBCGHNI-CHWSQXEVSA-N 0 1 387.492 1.082 20 0 GDADMN C[C@H](NC(=O)CC1(O)CCC1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575266241 949473590 /nfs/dbraw/zinc/47/35/90/949473590.db2.gz CFQSODQJFPOAQK-LBPRGKRZSA-N 0 1 388.447 1.247 20 0 GDADMN C[C@@]1(C(=O)N2CC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575537434 949495145 /nfs/dbraw/zinc/49/51/45/949495145.db2.gz UUTGWSFFNODLCY-DNVCBOLYSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)n1nccc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574471077 949521865 /nfs/dbraw/zinc/52/18/65/949521865.db2.gz ZILWXSVCQDYBTJ-INIZCTEOSA-N 0 1 380.456 1.648 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575268586 949524756 /nfs/dbraw/zinc/52/47/56/949524756.db2.gz NZYWVMLQWBYNJA-CHWSQXEVSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](NC(=O)C[C@@H]1CCCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268758 949526262 /nfs/dbraw/zinc/52/62/62/949526262.db2.gz ORVDTTAKZSBBNO-HOCLYGCPSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H](NC(=O)C[C@H]1CCCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268756 949529121 /nfs/dbraw/zinc/52/91/21/949529121.db2.gz ORVDTTAKZSBBNO-GDBMZVCRSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2=CCCC2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163863 949540146 /nfs/dbraw/zinc/54/01/46/949540146.db2.gz DENMVOLCLXMJIF-HIFRSBDPSA-N 0 1 382.472 1.618 20 0 GDADMN C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575269649 949555622 /nfs/dbraw/zinc/55/56/22/949555622.db2.gz WCDKORGHCLQOOT-IUCAKERBSA-N 0 1 384.366 1.116 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574955087 949562109 /nfs/dbraw/zinc/56/21/09/949562109.db2.gz BBVKMAIQINOPIV-DOZNAXDZSA-N 0 1 386.431 1.024 20 0 GDADMN C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574956518 949581429 /nfs/dbraw/zinc/58/14/29/949581429.db2.gz JTAKATNQLUJAAY-IMSYWVGJSA-N 0 1 381.893 1.964 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574956706 949587294 /nfs/dbraw/zinc/58/72/94/949587294.db2.gz MCTBDWOUVMEQEE-HBNTYKKESA-N 0 1 398.393 1.364 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ccncn1 ZINC001573811146 949591126 /nfs/dbraw/zinc/59/11/26/949591126.db2.gz IFIGEIHXMBOHLK-CQSZACIVSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ccncn1 ZINC001573811146 949591144 /nfs/dbraw/zinc/59/11/44/949591144.db2.gz IFIGEIHXMBOHLK-CQSZACIVSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnon1 ZINC001573811299 949595889 /nfs/dbraw/zinc/59/58/89/949595889.db2.gz JNTMZQKUQVZNHX-LBPRGKRZSA-N 0 1 376.446 1.246 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnon1 ZINC001573811299 949595909 /nfs/dbraw/zinc/59/59/09/949595909.db2.gz JNTMZQKUQVZNHX-LBPRGKRZSA-N 0 1 376.446 1.246 20 0 GDADMN C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575874157 949605928 /nfs/dbraw/zinc/60/59/28/949605928.db2.gz RSRUEFYEIGZZQI-ZFWWWQNUSA-N 0 1 378.440 1.429 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001573812538 949616465 /nfs/dbraw/zinc/61/64/65/949616465.db2.gz SJKCXPGXJSUSKW-WFASDCNBSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001573812538 949616481 /nfs/dbraw/zinc/61/64/81/949616481.db2.gz SJKCXPGXJSUSKW-WFASDCNBSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@H]1CCOC1 ZINC001573812523 949617299 /nfs/dbraw/zinc/61/72/99/949617299.db2.gz SJKCXPGXJSUSKW-DOMZBBRYSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@H]1CCOC1 ZINC001573812523 949617318 /nfs/dbraw/zinc/61/73/18/949617318.db2.gz SJKCXPGXJSUSKW-DOMZBBRYSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001573812642 949621919 /nfs/dbraw/zinc/62/19/19/949621919.db2.gz SODMKFQTQHTUAG-IUODEOHRSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCOC1 ZINC001573812642 949621936 /nfs/dbraw/zinc/62/19/36/949621936.db2.gz SODMKFQTQHTUAG-IUODEOHRSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001573816188 949676341 /nfs/dbraw/zinc/67/63/41/949676341.db2.gz PMXPWFJYXVLTET-SECBINFHSA-N 0 1 380.403 1.067 20 0 GDADMN C[C@H](NC(=O)CC[C@@H]1CCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575274149 949676894 /nfs/dbraw/zinc/67/68/94/949676894.db2.gz ZCUTWXGMDBDNHY-LSDHHAIUSA-N 0 1 384.484 1.620 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575879276 949683200 /nfs/dbraw/zinc/68/32/00/949683200.db2.gz QAFPZZQYJIJEAW-HIFRSBDPSA-N 0 1 387.463 1.575 20 0 GDADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573817764 949703187 /nfs/dbraw/zinc/70/31/87/949703187.db2.gz AVNIAQZIZZNLDK-BBRMVZONSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574478356 949703545 /nfs/dbraw/zinc/70/35/45/949703545.db2.gz YPCNVTRWTRJFKF-ZIAGYGMSSA-N 0 1 381.444 1.147 20 0 GDADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1ccccc1 ZINC001573818123 949718577 /nfs/dbraw/zinc/71/85/77/949718577.db2.gz GSJAJRXULLFMOQ-AWEZNQCLSA-N 0 1 380.456 1.264 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573818216 949720306 /nfs/dbraw/zinc/72/03/06/949720306.db2.gz IIMDBKNVGWAFNT-XJKSGUPXSA-N 0 1 387.488 1.586 20 0 GDADMN C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccccc1 ZINC001574478828 949724467 /nfs/dbraw/zinc/72/44/67/949724467.db2.gz BBSKRZJSYUXBSF-CQSZACIVSA-N 0 1 392.467 1.675 20 0 GDADMN C[C@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882034 949747865 /nfs/dbraw/zinc/74/78/65/949747865.db2.gz FRMWKBVFPAZEOY-WCQYABFASA-N 0 1 384.469 1.434 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@]1(C)CCOC1 ZINC001575559597 949759543 /nfs/dbraw/zinc/75/95/43/949759543.db2.gz WSNVVGCDBSWKBC-KBXCAEBGSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@]1(C)CCOC1 ZINC001575559597 949759561 /nfs/dbraw/zinc/75/95/61/949759561.db2.gz WSNVVGCDBSWKBC-KBXCAEBGSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574481022 949764583 /nfs/dbraw/zinc/76/45/83/949764583.db2.gz MCUJIEJCWGYVHR-LSDHHAIUSA-N 0 1 392.467 1.533 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574137756 949767574 /nfs/dbraw/zinc/76/75/74/949767574.db2.gz XEOGJWUJXORQHY-HIFRSBDPSA-N 0 1 386.504 1.800 20 0 GDADMN C[C@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575281303 949809561 /nfs/dbraw/zinc/80/95/61/949809561.db2.gz FNRQJONGYBKCCT-RYUDHWBXSA-N 0 1 385.403 1.207 20 0 GDADMN C[C@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575281411 949809780 /nfs/dbraw/zinc/80/97/80/949809780.db2.gz FYZUEBORMQFPPA-RYUDHWBXSA-N 0 1 385.403 1.207 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)CCCOC1 ZINC001575564166 949853600 /nfs/dbraw/zinc/85/36/00/949853600.db2.gz ODDVIUCJHFPNOH-UZLBHIALSA-N 0 1 384.484 1.764 20 0 GDADMN CC(C)(C)C1CC(C(=O)NCCN(c2ccnc(-c3nn[nH]n3)n2)C2CC2)C1 ZINC001573825198 949860910 /nfs/dbraw/zinc/86/09/10/949860910.db2.gz MNQQNQJMXIRETO-UHFFFAOYSA-N 0 1 384.488 1.814 20 0 GDADMN CC(C)(C)C1CC(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)C1 ZINC001573825397 949881372 /nfs/dbraw/zinc/88/13/72/949881372.db2.gz UMKNUERJXOTTDV-RUXDESIVSA-N 0 1 384.488 1.458 20 0 GDADMN CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574142984 949882411 /nfs/dbraw/zinc/88/24/11/949882411.db2.gz DPINUKDNQWRBFL-KFWWJZLASA-N 0 1 387.488 1.584 20 0 GDADMN CC1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@@H]2O)CCC1 ZINC001575568877 949898007 /nfs/dbraw/zinc/89/80/07/949898007.db2.gz CAWCCADQKPPRMC-STQMWFEESA-N 0 1 376.486 1.170 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)CC2(C)C)CCOC1 ZINC001575569102 949907064 /nfs/dbraw/zinc/90/70/64/949907064.db2.gz GFHFUOOSTXJTCJ-BEFAXECRSA-N 0 1 385.472 1.409 20 0 GDADMN C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575569316 949911449 /nfs/dbraw/zinc/91/14/49/949911449.db2.gz IQPARSNOVKYEFV-QGZVFWFLSA-N 0 1 376.486 1.435 20 0 GDADMN CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574146058 949934123 /nfs/dbraw/zinc/93/41/23/949934123.db2.gz WPBBZPDIPBWRHJ-HUUCEWRRSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180170 949943091 /nfs/dbraw/zinc/94/30/91/949943091.db2.gz NFPKYOICZBVPSM-IAQYHMDHSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1ccc(-c2nn[nH]n2)nn1 ZINC001576181246 949990249 /nfs/dbraw/zinc/99/02/49/949990249.db2.gz LHTGFKAKBHGFMN-FZMZJTMJSA-N 0 1 382.432 1.123 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574728782 950007496 /nfs/dbraw/zinc/00/74/96/950007496.db2.gz JNOJSCNJPYREBL-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN C[C@H](CN(C)C(=O)Cc1cncs1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574728782 950007516 /nfs/dbraw/zinc/00/75/16/950007516.db2.gz JNOJSCNJPYREBL-SNVBAGLBSA-N 0 1 377.499 1.564 20 0 GDADMN CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)CC(F)(F)C1 ZINC001575574060 950013944 /nfs/dbraw/zinc/01/39/44/950013944.db2.gz RKLQKNGADWXBKM-SNVBAGLBSA-N 0 1 392.414 1.423 20 0 GDADMN C[C@@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001574491168 950022928 /nfs/dbraw/zinc/02/29/28/950022928.db2.gz AIQKWJQZGRMOPO-ZDUSSCGKSA-N 0 1 381.444 1.195 20 0 GDADMN C[C@H](CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574491137 950024733 /nfs/dbraw/zinc/02/47/33/950024733.db2.gz AAONVANHSJGRGW-WLYUNCDWSA-N 0 1 380.456 1.443 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCO1 ZINC001574150271 950025429 /nfs/dbraw/zinc/02/54/29/950025429.db2.gz AWCKUXZFDTVUHT-TZMCWYRMSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCO1 ZINC001574150271 950025451 /nfs/dbraw/zinc/02/54/51/950025451.db2.gz AWCKUXZFDTVUHT-TZMCWYRMSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)c1ccon1 ZINC001574150850 950042348 /nfs/dbraw/zinc/04/23/48/950042348.db2.gz FKZYWMJPHRUTCG-AWEZNQCLSA-N 0 1 387.419 1.928 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C1CC1 ZINC001574491784 950045588 /nfs/dbraw/zinc/04/55/88/950045588.db2.gz FXVZZTTYAOCAIO-JSGCOSHPSA-N 0 1 382.472 1.568 20 0 GDADMN CC1(C(=O)NC[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)CCCC1 ZINC001575575216 950047550 /nfs/dbraw/zinc/04/75/50/950047550.db2.gz FYEZDMHJASHKQQ-AWEZNQCLSA-N 0 1 376.436 1.153 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CCc1ccns1 ZINC001575892239 950058513 /nfs/dbraw/zinc/05/85/13/950058513.db2.gz USWGOTROKPHBCL-YPMHNXCESA-N 0 1 386.485 1.477 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574492636 950096425 /nfs/dbraw/zinc/09/64/25/950096425.db2.gz NWKPIPGBFCXPCC-KBPBESRZSA-N 0 1 381.444 1.195 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)[C@H]1CCCCN1C ZINC001574152443 950102273 /nfs/dbraw/zinc/10/22/73/950102273.db2.gz CJFDEEBTJFHNON-DOTOQJQBSA-N 0 1 386.504 1.689 20 0 GDADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)[C@H]1CCCCN1C ZINC001574152444 950104505 /nfs/dbraw/zinc/10/45/05/950104505.db2.gz CJFDEEBTJFHNON-NVXWUHKLSA-N 0 1 386.504 1.689 20 0 GDADMN C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183865 950104671 /nfs/dbraw/zinc/10/46/71/950104671.db2.gz RTCBIDAQLHKGRV-RYUDHWBXSA-N 0 1 379.415 1.625 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)CC(C)(C)C ZINC001574492860 950106495 /nfs/dbraw/zinc/10/64/95/950106495.db2.gz DGKTXYNCCKMUAE-STQMWFEESA-N 0 1 375.477 1.035 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCCC1 ZINC001574492961 950107266 /nfs/dbraw/zinc/10/72/66/950107266.db2.gz PUJCSEZTGIJDEX-HIFRSBDPSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183938 950110535 /nfs/dbraw/zinc/11/05/35/950110535.db2.gz SHWAVNLRJVGCQE-GOEBONIOSA-N 0 1 392.467 1.274 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1cnc[nH]1 ZINC001574152581 950112857 /nfs/dbraw/zinc/11/28/57/950112857.db2.gz GRCJSNUVBSHBJZ-HNNXBMFYSA-N 0 1 383.460 1.560 20 0 GDADMN CC(C)(C)CC(C)(C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573838425 950113167 /nfs/dbraw/zinc/11/31/67/950113167.db2.gz DAAXSWBJTBRPPN-CYBMUJFWSA-N 0 1 386.504 1.944 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184056 950114248 /nfs/dbraw/zinc/11/42/48/950114248.db2.gz VNPOPCOGGVOWRA-JSGCOSHPSA-N 0 1 381.444 1.150 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574734863 950147574 /nfs/dbraw/zinc/14/75/74/950147574.db2.gz TTWIFSBDPURLIC-MVWJERBFSA-N 0 1 385.407 1.186 20 0 GDADMN C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001574495214 950198244 /nfs/dbraw/zinc/19/82/44/950198244.db2.gz RNIDQBNBTPQVQL-VXGBXAGGSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ncccn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900655 950204619 /nfs/dbraw/zinc/20/46/19/950204619.db2.gz HBWNETIZMZDSBD-CJNGLKHVSA-N 0 1 378.440 1.440 20 0 GDADMN C[C@H]1[C@H](NCc2cc(C3CC3)no2)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575901199 950226033 /nfs/dbraw/zinc/22/60/33/950226033.db2.gz MCVALCGEGQPQKA-GXFFZTMASA-N 0 1 382.428 1.453 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001574157485 950236938 /nfs/dbraw/zinc/23/69/38/950236938.db2.gz BZLXKJXPRYEYPO-MGPQQGTHSA-N 0 1 386.504 1.704 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cccc(F)c1 ZINC001574157709 950248843 /nfs/dbraw/zinc/24/88/43/950248843.db2.gz HCZVDEQRYMTSQG-AWEZNQCLSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2csnn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575902082 950250259 /nfs/dbraw/zinc/25/02/59/950250259.db2.gz SEFBHVVCUJPNOM-FZMZJTMJSA-N 0 1 384.469 1.501 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575588792 950252775 /nfs/dbraw/zinc/25/27/75/950252775.db2.gz SPFROIWKKZNZJW-AUUYWEPGSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575588792 950252795 /nfs/dbraw/zinc/25/27/95/950252795.db2.gz SPFROIWKKZNZJW-AUUYWEPGSA-N 0 1 388.447 1.371 20 0 GDADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1ccsc1 ZINC001574158328 950278304 /nfs/dbraw/zinc/27/83/04/950278304.db2.gz QWHVFUNNVPRCGE-ZDUSSCGKSA-N 0 1 386.485 1.326 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(F)cc1 ZINC001574158276 950278628 /nfs/dbraw/zinc/27/86/28/950278628.db2.gz QDOIVMYCIFCKDK-CQSZACIVSA-N 0 1 384.419 1.474 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576193364 950294949 /nfs/dbraw/zinc/29/49/49/950294949.db2.gz TZVUTBIXCPNPOI-YPMHNXCESA-N 0 1 386.485 1.539 20 0 GDADMN C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576193364 950294962 /nfs/dbraw/zinc/29/49/62/950294962.db2.gz TZVUTBIXCPNPOI-YPMHNXCESA-N 0 1 386.485 1.539 20 0 GDADMN C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cccn1 ZINC001574499743 950303584 /nfs/dbraw/zinc/30/35/84/950303584.db2.gz WQIINHMERKFRNJ-GFCCVEGCSA-N 0 1 386.485 1.514 20 0 GDADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159357 950305898 /nfs/dbraw/zinc/30/58/98/950305898.db2.gz GCQYITIHPRIIHI-BBRMVZONSA-N 0 1 389.508 1.186 20 0 GDADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159357 950305921 /nfs/dbraw/zinc/30/59/21/950305921.db2.gz GCQYITIHPRIIHI-BBRMVZONSA-N 0 1 389.508 1.186 20 0 GDADMN C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576194004 950321830 /nfs/dbraw/zinc/32/18/30/950321830.db2.gz XDMFXOZTXPVMFC-RYUDHWBXSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576194004 950321857 /nfs/dbraw/zinc/32/18/57/950321857.db2.gz XDMFXOZTXPVMFC-RYUDHWBXSA-N 0 1 386.485 1.539 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cccc1 ZINC001574501647 950338747 /nfs/dbraw/zinc/33/87/47/950338747.db2.gz FTIDTTBUOOMCGA-HNNXBMFYSA-N 0 1 379.468 1.868 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908246 950357278 /nfs/dbraw/zinc/35/72/78/950357278.db2.gz SYVFOHKYPXRNKE-RISCZKNCSA-N 0 1 387.469 1.628 20 0 GDADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCc1ccon1 ZINC001575908246 950357298 /nfs/dbraw/zinc/35/72/98/950357298.db2.gz SYVFOHKYPXRNKE-RISCZKNCSA-N 0 1 387.469 1.628 20 0 GDADMN CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)c(O)c1 ZINC001573860065 950418974 /nfs/dbraw/zinc/41/89/74/950418974.db2.gz CHPSYPJAOBJZRT-GFCCVEGCSA-N 0 1 388.428 1.702 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575597860 950419601 /nfs/dbraw/zinc/41/96/01/950419601.db2.gz XXNCFISQNIHDFV-PRXAMGSTSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575597860 950419611 /nfs/dbraw/zinc/41/96/11/950419611.db2.gz XXNCFISQNIHDFV-PRXAMGSTSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575599451 950431178 /nfs/dbraw/zinc/43/11/78/950431178.db2.gz JOYULZSSJZBEJZ-MDZRGWNJSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](C[C@H](C)Nc1nccnc1-c1nn[n-]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204810 950479558 /nfs/dbraw/zinc/47/95/58/950479558.db2.gz RJZWEIXUHPPKPP-KGLIPLIRSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@H](CC(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cccn1 ZINC001574508681 950480285 /nfs/dbraw/zinc/48/02/85/950480285.db2.gz MBPYQXUIWUCQFD-CYBMUJFWSA-N 0 1 386.435 1.402 20 0 GDADMN CCN(CCC[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)CC(F)(F)F ZINC001589730836 950506503 /nfs/dbraw/zinc/50/65/03/950506503.db2.gz WYDNPTNTFGPWRT-MFOWVQHXSA-N 0 1 380.407 1.847 20 0 GDADMN C[C@@H](CC(=O)NCCNc1nc(-c2nn[nH]n2)c(Cl)s1)n1cccc1 ZINC001574509354 950511440 /nfs/dbraw/zinc/51/14/40/950511440.db2.gz RMBWKIMRPDTGTM-VIFPVBQESA-N 0 1 380.865 1.958 20 0 GDADMN C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1ccncc1 ZINC001574509821 950528515 /nfs/dbraw/zinc/52/85/15/950528515.db2.gz YNRNPFOSXWPXGA-DZKIICNBSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1ccccc1 ZINC001574511632 950563961 /nfs/dbraw/zinc/56/39/61/950563961.db2.gz PEMRBOATSLOVSM-SQWLQELKSA-N 0 1 392.467 1.791 20 0 GDADMN C[C@H](CNC(=O)c1cc(Cl)cn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574999017 950564369 /nfs/dbraw/zinc/56/43/69/950564369.db2.gz CXAKQFAPHBGLGY-SNVBAGLBSA-N 0 1 391.838 1.906 20 0 GDADMN CC(C)(C)OCC(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573869563 950569095 /nfs/dbraw/zinc/56/90/95/950569095.db2.gz QKBXMUIJIAVXAK-UHFFFAOYSA-N 0 1 378.502 1.824 20 0 GDADMN C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001575917392 950572485 /nfs/dbraw/zinc/57/24/85/950572485.db2.gz XEMMOTFROGVKFV-ZFWWWQNUSA-N 0 1 386.504 1.641 20 0 GDADMN C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575917392 950572511 /nfs/dbraw/zinc/57/25/11/950572511.db2.gz XEMMOTFROGVKFV-ZFWWWQNUSA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)(C)OCC(=O)NCCC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573869712 950574519 /nfs/dbraw/zinc/57/45/19/950574519.db2.gz BNLYZCRRPSGVCV-UHFFFAOYSA-N 0 1 387.488 1.800 20 0 GDADMN C[C@@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207131 950588684 /nfs/dbraw/zinc/58/86/84/950588684.db2.gz CWJCVGRTWAFYNO-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207131 950588742 /nfs/dbraw/zinc/58/87/42/950588742.db2.gz CWJCVGRTWAFYNO-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207131 950588756 /nfs/dbraw/zinc/58/87/56/950588756.db2.gz CWJCVGRTWAFYNO-IUCAKERBSA-N 0 1 384.897 1.235 20 0 GDADMN C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)C(F)(F)F ZINC001574512843 950591952 /nfs/dbraw/zinc/59/19/52/950591952.db2.gz DRCRZEIFUNRWJW-BBBLOLIVSA-N 0 1 384.366 1.329 20 0 GDADMN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cccc(F)c1F ZINC001574756270 950605512 /nfs/dbraw/zinc/60/55/12/950605512.db2.gz YBZSWSYXLGJUFP-JTQLQIEISA-N 0 1 375.383 1.723 20 0 GDADMN CC1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001576208274 950610853 /nfs/dbraw/zinc/61/08/53/950610853.db2.gz OFBFSIYTLPBBFM-OLMNPRSZSA-N 0 1 396.499 1.220 20 0 GDADMN CC(C)CCC(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574174040 950615170 /nfs/dbraw/zinc/61/51/70/950615170.db2.gz DSQFCEGSCYBOBO-FQEVSTJZSA-N 0 1 386.500 1.746 20 0 GDADMN CC(C)(C)OCC(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573871729 950624381 /nfs/dbraw/zinc/62/43/81/950624381.db2.gz UUWAVDKPWRCPSR-UHFFFAOYSA-N 0 1 388.476 1.195 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC001575920278 950633991 /nfs/dbraw/zinc/63/39/91/950633991.db2.gz MDSMKFHKHSXPIK-OCCSQVGLSA-N 0 1 384.488 1.696 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575921329 950636575 /nfs/dbraw/zinc/63/65/75/950636575.db2.gz NKGWVAHWSNRRCJ-WCBMZHEXSA-N 0 1 390.354 1.324 20 0 GDADMN CC1(C)C2CCC1(C(=O)N1CCN(c3ccnc(-c4nn[nH]n4)n3)CC1)CC2 ZINC001575622665 950643993 /nfs/dbraw/zinc/64/39/93/950643993.db2.gz FULQJLUHGKTVIE-UHFFFAOYSA-N 0 1 382.472 1.522 20 0 GDADMN C[C@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001888 950645284 /nfs/dbraw/zinc/64/52/84/950645284.db2.gz ODZBWNHXPNZZBN-LLVKDONJSA-N 0 1 386.485 1.297 20 0 GDADMN C[C@H](CNC(=O)c1cc(N(C)C)ccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575001888 950645303 /nfs/dbraw/zinc/64/53/03/950645303.db2.gz ODZBWNHXPNZZBN-LLVKDONJSA-N 0 1 386.485 1.297 20 0 GDADMN C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001574518687 950657039 /nfs/dbraw/zinc/65/70/39/950657039.db2.gz PQXIFAQJDPPMES-AEGPPILISA-N 0 1 378.440 1.332 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589744699 950666202 /nfs/dbraw/zinc/66/62/02/950666202.db2.gz ACNZXTWFDWHTOL-QGZVFWFLSA-N 0 1 398.463 1.455 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575924207 950668149 /nfs/dbraw/zinc/66/81/49/950668149.db2.gz DYKOOPQKSZETGB-GWCFXTLKSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760826 950680518 /nfs/dbraw/zinc/68/05/18/950680518.db2.gz MGHOQQQKVQRKGY-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H](CN(C)C(=O)c1cn2c(n1)CCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574760826 950680529 /nfs/dbraw/zinc/68/05/29/950680529.db2.gz MGHOQQQKVQRKGY-LLVKDONJSA-N 0 1 386.485 1.321 20 0 GDADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001575925393 950684825 /nfs/dbraw/zinc/68/48/25/950684825.db2.gz URNAWGXBRSODIO-SMDDNHRTSA-N 0 1 389.423 1.275 20 0 GDADMN C[C@@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575005470 950685460 /nfs/dbraw/zinc/68/54/60/950685460.db2.gz FXEPTLDAZMBBLO-JTQLQIEISA-N 0 1 384.469 1.249 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001573877780 950695924 /nfs/dbraw/zinc/69/59/24/950695924.db2.gz GBQRLDRBUFSFBT-CHWSQXEVSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CN(C)C(=O)c1ccncn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574761639 950701473 /nfs/dbraw/zinc/70/14/73/950701473.db2.gz UNGZHLAZGYSFDM-SSDOTTSWSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575926955 950725995 /nfs/dbraw/zinc/72/59/95/950725995.db2.gz MZKWFWYILQEXEJ-LRDDRELGSA-N 0 1 381.415 1.467 20 0 GDADMN CC1(C)CC(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)C1 ZINC001575629021 950727521 /nfs/dbraw/zinc/72/75/21/950727521.db2.gz IRNPEXZTKOPZOX-UONOGXRCSA-N 0 1 390.513 1.416 20 0 GDADMN CC1(C)CC(C(=O)N[C@@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C23CCC3)C1 ZINC001575629567 950743876 /nfs/dbraw/zinc/74/38/76/950743876.db2.gz PLHJGLICJKMQQK-JKSUJKDBSA-N 0 1 381.484 1.959 20 0 GDADMN CC1(C)CC(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575629724 950744360 /nfs/dbraw/zinc/74/43/60/950744360.db2.gz RJWRWVJBPQIMFF-AWEZNQCLSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927489 950744907 /nfs/dbraw/zinc/74/49/07/950744907.db2.gz PTLIRXNFBPPMMJ-WPRPVWTQSA-N 0 1 390.860 1.509 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576218554 950796490 /nfs/dbraw/zinc/79/64/90/950796490.db2.gz MMJATDVDYPJCQN-MNOVXSKESA-N 0 1 392.414 1.020 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=COCCC1 ZINC001574522573 950797605 /nfs/dbraw/zinc/79/76/05/950797605.db2.gz KYBUKOXXQXZITJ-RYUDHWBXSA-N 0 1 376.486 1.995 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=COCCC1 ZINC001574522573 950797624 /nfs/dbraw/zinc/79/76/24/950797624.db2.gz KYBUKOXXQXZITJ-RYUDHWBXSA-N 0 1 376.486 1.995 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ncccn1 ZINC001575931095 950803559 /nfs/dbraw/zinc/80/35/59/950803559.db2.gz GTZMIBQFBAJFMP-JGVFFNPUSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574767637 950861284 /nfs/dbraw/zinc/86/12/84/950861284.db2.gz UFLNVNQIRNXWTO-JTQLQIEISA-N 0 1 384.469 1.590 20 0 GDADMN CC1(C)C[C@@H](NC(=O)[C@H]2CC23CC3)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639662 950881869 /nfs/dbraw/zinc/88/18/69/950881869.db2.gz VQNCERFLWJQIMI-QWHCGFSZSA-N 0 1 382.472 1.568 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576228321 950939906 /nfs/dbraw/zinc/93/99/06/950939906.db2.gz HAFVNRDMWJSZSR-KGLIPLIRSA-N 0 1 385.472 1.007 20 0 GDADMN CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575643307 950965353 /nfs/dbraw/zinc/96/53/53/950965353.db2.gz LFJJQGMBDMUNNP-ORAYPTAESA-N 0 1 382.472 1.522 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N(CCNc1ccnc(-c2nn[nH]n2)n1)Cc1ccccc1 ZINC001575643192 950966351 /nfs/dbraw/zinc/96/63/51/950966351.db2.gz ZNOKJSQCSQJKRM-OAHLLOKOSA-N 0 1 392.467 1.565 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc(O)ccc1Cl ZINC001575017448 950995199 /nfs/dbraw/zinc/99/51/99/950995199.db2.gz KKGPRDZZJJBALY-SECBINFHSA-N 0 1 375.820 1.462 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575023876 951086540 /nfs/dbraw/zinc/08/65/40/951086540.db2.gz RHTMDZRSPGPSHX-SECBINFHSA-N 0 1 377.861 1.885 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575023876 951086552 /nfs/dbraw/zinc/08/65/52/951086552.db2.gz RHTMDZRSPGPSHX-SECBINFHSA-N 0 1 377.861 1.885 20 0 GDADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CO1 ZINC001595000497 951115686 /nfs/dbraw/zinc/11/56/86/951115686.db2.gz CHSACXWKIIHUPT-FCGDIQPGSA-N 0 1 390.480 1.256 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2cccnc2n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575025927 951136388 /nfs/dbraw/zinc/13/63/88/951136388.db2.gz CVKNDECTFPJBCL-GFCCVEGCSA-N 0 1 389.423 1.105 20 0 GDADMN C[C@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027038 951153671 /nfs/dbraw/zinc/15/36/71/951153671.db2.gz COAZRPYDTJNKHC-CYBMUJFWSA-N 0 1 392.467 1.963 20 0 GDADMN C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575032317 951223321 /nfs/dbraw/zinc/22/33/21/951223321.db2.gz XDVJCFXBLYAMHA-JTQLQIEISA-N 0 1 388.382 1.494 20 0 GDADMN C[C@H](CNC(=O)c1ccncc1F)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575034241 951239976 /nfs/dbraw/zinc/23/99/76/951239976.db2.gz KDVGYEUTAJANCD-ZCFIWIBFSA-N 0 1 382.812 1.741 20 0 GDADMN CC(C)n1cnc(C(=O)NC[C@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001575039700 951334377 /nfs/dbraw/zinc/33/43/77/951334377.db2.gz RYVMHSFTMUXOAD-LBPRGKRZSA-N 0 1 386.435 1.691 20 0 GDADMN C[C@@H]1[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[N@H+]1Cc1ccccc1 ZINC000389068295 951343236 /nfs/dbraw/zinc/34/32/36/951343236.db2.gz VPUQCUXGZQASKJ-RHSMWYFYSA-N 0 1 381.498 1.280 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001575052628 951468877 /nfs/dbraw/zinc/46/88/77/951468877.db2.gz MTNTWCODJREMSR-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN CC(C)n1cc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001575052628 951468882 /nfs/dbraw/zinc/46/88/82/951468882.db2.gz MTNTWCODJREMSR-LBPRGKRZSA-N 0 1 388.501 1.956 20 0 GDADMN C[C@@H](CNC(=O)c1cnsn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575055316 951503473 /nfs/dbraw/zinc/50/34/73/951503473.db2.gz QDRZZQGAVHZFHG-VIFPVBQESA-N 0 1 376.421 1.108 20 0 GDADMN C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575058095 951534388 /nfs/dbraw/zinc/53/43/88/951534388.db2.gz URTYFKJPMWIWCO-NSHDSACASA-N 0 1 384.444 1.447 20 0 GDADMN C[C@@H](CNC(=O)c1cscn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575060704 951544510 /nfs/dbraw/zinc/54/45/10/951544510.db2.gz DMMMMLLWXPVRSD-LURJTMIESA-N 0 1 384.878 1.911 20 0 GDADMN C[C@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575067585 951615563 /nfs/dbraw/zinc/61/55/63/951615563.db2.gz VZPRMXFMHZICFP-SNVBAGLBSA-N 0 1 388.453 1.502 20 0 GDADMN C[C@H](CNC(=O)c1occ2c1CCOC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575067585 951615567 /nfs/dbraw/zinc/61/55/67/951615567.db2.gz VZPRMXFMHZICFP-SNVBAGLBSA-N 0 1 388.453 1.502 20 0 GDADMN C[C@@H](CNCc1cc(O)ccc1Cl)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575080012 951701048 /nfs/dbraw/zinc/70/10/48/951701048.db2.gz IWUOZVNQVFRKGG-JTQLQIEISA-N 0 1 389.847 1.804 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575091348 951774145 /nfs/dbraw/zinc/77/41/45/951774145.db2.gz RUSWAIHOLMSLNL-KZULUSFZSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575091348 951774149 /nfs/dbraw/zinc/77/41/49/951774149.db2.gz RUSWAIHOLMSLNL-KZULUSFZSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575091731 951781881 /nfs/dbraw/zinc/78/18/81/951781881.db2.gz XCRLMWBNJXUEPF-KPZWWZAWSA-N 0 1 376.436 1.369 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098150 951822609 /nfs/dbraw/zinc/82/26/09/951822609.db2.gz BMPMACCDVOITOY-QWHCGFSZSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098150 951822613 /nfs/dbraw/zinc/82/26/13/951822613.db2.gz BMPMACCDVOITOY-QWHCGFSZSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)COc1cccnc1 ZINC001575099031 951828291 /nfs/dbraw/zinc/82/82/91/951828291.db2.gz HLTBLZWOOBNUIK-GFCCVEGCSA-N 0 1 387.469 1.339 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)COc1cccnc1 ZINC001575099031 951828296 /nfs/dbraw/zinc/82/82/96/951828296.db2.gz HLTBLZWOOBNUIK-GFCCVEGCSA-N 0 1 387.469 1.339 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099603 951836712 /nfs/dbraw/zinc/83/67/12/951836712.db2.gz NTQPFFPNYHXDAX-GFCCVEGCSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@@H](CNC(=O)COC1CCCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099603 951836717 /nfs/dbraw/zinc/83/67/17/951836717.db2.gz NTQPFFPNYHXDAX-GFCCVEGCSA-N 0 1 378.502 1.729 20 0 GDADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575134519 952112117 /nfs/dbraw/zinc/11/21/17/952112117.db2.gz IUFITPIFRPEFOZ-SCLBCKFNSA-N 0 1 382.472 1.356 20 0 GDADMN O=C([O-])Cn1cc(COC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)nn1 ZINC001595146065 952113774 /nfs/dbraw/zinc/11/37/74/952113774.db2.gz XLANLONDCZMEHG-UHFFFAOYSA-N 0 1 378.295 1.238 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575142234 952148590 /nfs/dbraw/zinc/14/85/90/952148590.db2.gz KMBAYNORZBQIDG-XJKSGUPXSA-N 0 1 392.467 1.143 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575143514 952154631 /nfs/dbraw/zinc/15/46/31/952154631.db2.gz QBOGWLHYCXSUEJ-RBZFPXEDSA-N 0 1 392.467 1.242 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001575144045 952161039 /nfs/dbraw/zinc/16/10/39/952161039.db2.gz TXIYYULICRXPBQ-RMEHTXHKSA-N 0 1 384.488 1.554 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575144018 952161128 /nfs/dbraw/zinc/16/11/28/952161128.db2.gz TUZAKOIPVYXNST-INIZCTEOSA-N 0 1 388.432 1.290 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccccc1C1(C)CC1 ZINC001575144913 952174608 /nfs/dbraw/zinc/17/46/08/952174608.db2.gz NPKHIVKLPHMRCH-ZDUSSCGKSA-N 0 1 392.467 1.703 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575145236 952179445 /nfs/dbraw/zinc/17/94/45/952179445.db2.gz TXGCDJBMAGALJO-QGZVFWFLSA-N 0 1 384.469 1.080 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCc1ccccn1)C1CC1 ZINC001575145407 952183264 /nfs/dbraw/zinc/18/32/64/952183264.db2.gz XGBSKSZBIYYQMI-FQEVSTJZSA-N 0 1 392.467 1.408 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575145846 952188571 /nfs/dbraw/zinc/18/85/71/952188571.db2.gz DLDWMFOLNHFMLC-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575145799 952188684 /nfs/dbraw/zinc/18/86/84/952188684.db2.gz CRNJBCKHLGVHKO-LBPRGKRZSA-N 0 1 379.424 1.191 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575146380 952192730 /nfs/dbraw/zinc/19/27/30/952192730.db2.gz JUSLFKJNANCAPG-MRVPVSSYSA-N 0 1 378.343 1.182 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)COc1ccccc1F ZINC001575147848 952201226 /nfs/dbraw/zinc/20/12/26/952201226.db2.gz WJWMFQDENSDZHM-GFCCVEGCSA-N 0 1 385.403 1.161 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ccncn1 ZINC001575164728 952299348 /nfs/dbraw/zinc/29/93/48/952299348.db2.gz GYXBRGYBOAMCQM-ZETCQYMHSA-N 0 1 379.837 1.339 20 0 GDADMN C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575189373 952455575 /nfs/dbraw/zinc/45/55/75/952455575.db2.gz NYZTXXYQQHNBHG-ZDUSSCGKSA-N 0 1 383.431 1.832 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575197036 952479185 /nfs/dbraw/zinc/47/91/85/952479185.db2.gz MCSOSOPGEPTKRV-QWHCGFSZSA-N 0 1 382.428 1.071 20 0 GDADMN Cc1cc(NC[C@H]2CCN(C(=O)C(C)(C)F)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571118014 952485637 /nfs/dbraw/zinc/48/56/37/952485637.db2.gz RVCAOGBORHDOEI-WCQYABFASA-N 0 1 375.452 1.637 20 0 GDADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc2c(c1)CCC2 ZINC001571119452 952490466 /nfs/dbraw/zinc/49/04/66/952490466.db2.gz BQBNSVOSAKGGAZ-OAHLLOKOSA-N 0 1 376.424 1.154 20 0 GDADMN C=Cc1ccc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571120767 952509105 /nfs/dbraw/zinc/50/91/05/952509105.db2.gz QTMIQYNATFRATA-CQSZACIVSA-N 0 1 376.424 1.296 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575202077 952510507 /nfs/dbraw/zinc/51/05/07/952510507.db2.gz NBCZNETWGADLJC-ZDUSSCGKSA-N 0 1 380.456 1.111 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCCN(C)c1ccc(-c2nn[nH]n2)nc1 ZINC001575202435 952512604 /nfs/dbraw/zinc/51/26/04/952512604.db2.gz NVHMWALITVLLHJ-CYBMUJFWSA-N 0 1 383.460 1.148 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575203248 952519855 /nfs/dbraw/zinc/51/98/55/952519855.db2.gz SAXFQZYOPTYCIX-QWHCGFSZSA-N 0 1 381.444 1.124 20 0 GDADMN C[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123074 952527523 /nfs/dbraw/zinc/52/75/23/952527523.db2.gz NPXLIHKVESNWML-KWQFWETISA-N 0 1 376.471 1.030 20 0 GDADMN C[C@H]1CN(C(=O)c2cnsn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571123074 952527525 /nfs/dbraw/zinc/52/75/25/952527525.db2.gz NPXLIHKVESNWML-KWQFWETISA-N 0 1 376.471 1.030 20 0 GDADMN CC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC001571123418 952531118 /nfs/dbraw/zinc/53/11/18/952531118.db2.gz RSGXPSLXVFTWGF-CYBMUJFWSA-N 0 1 376.486 1.435 20 0 GDADMN CC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC001571123418 952531123 /nfs/dbraw/zinc/53/11/23/952531123.db2.gz RSGXPSLXVFTWGF-CYBMUJFWSA-N 0 1 376.486 1.435 20 0 GDADMN CN(c1ccncc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571124833 952545311 /nfs/dbraw/zinc/54/53/11/952545311.db2.gz VZDCHNYULSWLGQ-ZDUSSCGKSA-N 0 1 377.399 1.734 20 0 GDADMN Cc1ccc(C(=O)N2CCCN(Cc3ccccc3-c3nn[nH]n3)CC2)cn1 ZINC001571127335 952553992 /nfs/dbraw/zinc/55/39/92/952553992.db2.gz DMYDSDXSECFLHK-UHFFFAOYSA-N 0 1 377.452 1.918 20 0 GDADMN Cc1ccc(C)c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC001571127338 952554265 /nfs/dbraw/zinc/55/42/65/952554265.db2.gz DRSDATOZHNELJT-IRXDYDNUSA-N 0 1 377.452 1.911 20 0 GDADMN Cc1cccnc1C(=O)N[C@H](C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571127608 952558534 /nfs/dbraw/zinc/55/85/34/952558534.db2.gz JSBBXKICRDLNRX-CQSZACIVSA-N 0 1 377.452 1.820 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575213610 952558847 /nfs/dbraw/zinc/55/88/47/952558847.db2.gz CJSXEHDRORRBKO-UHFFFAOYSA-N 0 1 380.403 1.423 20 0 GDADMN Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571128362 952566412 /nfs/dbraw/zinc/56/64/12/952566412.db2.gz RKRCLXKBRHRRNT-CALCHBBNSA-N 0 1 377.452 1.992 20 0 GDADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001571129338 952574373 /nfs/dbraw/zinc/57/43/73/952574373.db2.gz CNDVFNBGPKZZPG-MNOVXSKESA-N 0 1 378.387 1.129 20 0 GDADMN CN(C(=O)[C@@H]1CCC1(F)F)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571130006 952577289 /nfs/dbraw/zinc/57/72/89/952577289.db2.gz MPIFMKFLOCKGBL-NSHDSACASA-N 0 1 378.387 1.129 20 0 GDADMN Cc1ncc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)c(C)n1 ZINC001571133979 952583886 /nfs/dbraw/zinc/58/38/86/952583886.db2.gz ALENTVFJEDUPLK-MRXNPFEDSA-N 0 1 378.440 1.278 20 0 GDADMN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cc(-c4nn[nH]n4)ccn3)C2)n1 ZINC001571134399 952589967 /nfs/dbraw/zinc/58/99/67/952589967.db2.gz HZKPBSGVIJMVQR-OAHLLOKOSA-N 0 1 378.440 1.816 20 0 GDADMN CN(C)c1ccc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571134619 952592797 /nfs/dbraw/zinc/59/27/97/952592797.db2.gz IHGPKWUOVJDQIZ-HDJSIYSDSA-N 0 1 378.440 1.123 20 0 GDADMN Cc1cccc(C)c1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571134669 952593916 /nfs/dbraw/zinc/59/39/16/952593916.db2.gz LKCHVXBQIDERCO-CQSZACIVSA-N 0 1 378.440 1.412 20 0 GDADMN Cc1cc(N2CCN(C(=O)Cc3cnccc3C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134880 952596351 /nfs/dbraw/zinc/59/63/51/952596351.db2.gz MJNXBJWZRGSGLQ-UHFFFAOYSA-N 0 1 378.440 1.165 20 0 GDADMN Cc1cc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc[nH]c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571135140 952600311 /nfs/dbraw/zinc/60/03/11/952600311.db2.gz POHSHBCXAWLLLQ-HZPDHXFCSA-N 0 1 378.440 1.782 20 0 GDADMN Cc1cncc(C(=O)N2CC[C@@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571135483 952604623 /nfs/dbraw/zinc/60/46/23/952604623.db2.gz YVLSKSMUWIKDPA-AWEZNQCLSA-N 0 1 378.440 1.564 20 0 GDADMN C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[N@H+]1CC1CC(F)(F)C1 ZINC001571140225 952624931 /nfs/dbraw/zinc/62/49/31/952624931.db2.gz PDLAOBGBWWIUOD-GWCFXTLKSA-N 0 1 379.415 1.823 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141085 952630193 /nfs/dbraw/zinc/63/01/93/952630193.db2.gz GPTSDRFAFZOHHJ-OLZOCXBDSA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141085 952630197 /nfs/dbraw/zinc/63/01/97/952630197.db2.gz GPTSDRFAFZOHHJ-OLZOCXBDSA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141085 952630201 /nfs/dbraw/zinc/63/02/01/952630201.db2.gz GPTSDRFAFZOHHJ-OLZOCXBDSA-N 0 1 378.502 1.634 20 0 GDADMN CO[C@H](C)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141085 952630206 /nfs/dbraw/zinc/63/02/06/952630206.db2.gz GPTSDRFAFZOHHJ-OLZOCXBDSA-N 0 1 378.502 1.634 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571141998 952637934 /nfs/dbraw/zinc/63/79/34/952637934.db2.gz MWIHJNKOTDVIPZ-TZMCWYRMSA-N 0 1 378.502 1.681 20 0 GDADMN CC[C@@H](OC)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141998 952637937 /nfs/dbraw/zinc/63/79/37/952637937.db2.gz MWIHJNKOTDVIPZ-TZMCWYRMSA-N 0 1 378.502 1.681 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1cnc2n1CCC2 ZINC001571141988 952638328 /nfs/dbraw/zinc/63/83/28/952638328.db2.gz MQLFOBHVAGPLAN-CQSZACIVSA-N 0 1 378.440 1.014 20 0 GDADMN COc1cccc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571142544 952643244 /nfs/dbraw/zinc/64/32/44/952643244.db2.gz WYVUEEDLSGFUFE-CQSZACIVSA-N 0 1 379.424 1.587 20 0 GDADMN CC[C@@H](SC)C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571142528 952643310 /nfs/dbraw/zinc/64/33/10/952643310.db2.gz UBQITJJTYXRTGR-UKRRQHHQSA-N 0 1 378.477 1.838 20 0 GDADMN COc1cccnc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571142612 952644243 /nfs/dbraw/zinc/64/42/43/952644243.db2.gz YIFYSVNWSDRPRB-OAHLLOKOSA-N 0 1 379.424 1.275 20 0 GDADMN Cc1cc(N2CCOC[C@H]2CNC(=O)c2ccccc2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571142652 952645551 /nfs/dbraw/zinc/64/55/51/952645551.db2.gz ZOCZJKNWCWOQHB-OAHLLOKOSA-N 0 1 379.424 1.205 20 0 GDADMN Cc1ncncc1C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571146606 952650342 /nfs/dbraw/zinc/65/03/42/952650342.db2.gz JQZBAJSLVSVLTA-UHFFFAOYSA-N 0 1 379.428 1.101 20 0 GDADMN O=C(c1ccoc1)N1C[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@H]2C1 ZINC001571147805 952664661 /nfs/dbraw/zinc/66/46/61/952664661.db2.gz QKLZPIQDKZEMPP-RCBQFDQVSA-N 0 1 379.424 1.629 20 0 GDADMN O=C(NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571150986 952671656 /nfs/dbraw/zinc/67/16/56/952671656.db2.gz IPAHWYYPUZVOFM-UVCSJCCESA-N 0 1 379.468 1.282 20 0 GDADMN O=C([C@@H]1CC12CC2)N1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001571154178 952689078 /nfs/dbraw/zinc/68/90/78/952689078.db2.gz ZBDUTFPAZOHWJJ-VIFPVBQESA-N 0 1 379.877 1.815 20 0 GDADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1ccoc1C1CC1 ZINC001571155112 952692117 /nfs/dbraw/zinc/69/21/17/952692117.db2.gz ICBGQSWJSDCPQR-JQWIXIFHSA-N 0 1 380.412 1.264 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)ncn1 ZINC001571156669 952703487 /nfs/dbraw/zinc/70/34/87/952703487.db2.gz GRWSZFOVWYOKBF-CYBMUJFWSA-N 0 1 379.428 1.067 20 0 GDADMN Cc1cocc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571161278 952731949 /nfs/dbraw/zinc/73/19/49/952731949.db2.gz UEAMOKIBFNCSBR-OLZOCXBDSA-N 0 1 380.412 1.133 20 0 GDADMN O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001571167001 952768225 /nfs/dbraw/zinc/76/82/25/952768225.db2.gz SCOMUKLXRAXCKW-GOSISDBHSA-N 0 1 380.427 1.591 20 0 GDADMN CC[C@H](C)[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)C(=O)OC ZINC001571167105 952770131 /nfs/dbraw/zinc/77/01/31/952770131.db2.gz VSKAKHAXRPMIHX-XVKPBYJWSA-N 0 1 380.430 1.007 20 0 GDADMN CCn1cccc1C(=O)N[C@@H]1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571169647 952777132 /nfs/dbraw/zinc/77/71/32/952777132.db2.gz JLSNNNYRMGUUIF-DZGCQCFKSA-N 0 1 380.456 1.516 20 0 GDADMN Cc1ccncc1CN(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571170848 952789515 /nfs/dbraw/zinc/78/95/15/952789515.db2.gz XSZPCVCXBGTCHM-INIZCTEOSA-N 0 1 380.456 1.635 20 0 GDADMN CCn1cnc(C(=O)N(C)C[C@H]2CCN2Cc2ccccc2-c2nn[nH]n2)c1 ZINC001571170914 952790952 /nfs/dbraw/zinc/79/09/52/952790952.db2.gz ZHFMJHXJFDRKTA-OAHLLOKOSA-N 0 1 380.456 1.430 20 0 GDADMN O=C(C1=CCCC1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571171718 952796340 /nfs/dbraw/zinc/79/63/40/952796340.db2.gz DZJUOLUMBVWKQV-CABCVRRESA-N 0 1 380.456 1.584 20 0 GDADMN Cn1cnc(C(=O)N[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)CC2(C)C)c1 ZINC001571172274 952804377 /nfs/dbraw/zinc/80/43/77/952804377.db2.gz RPNOKHMLIKAEEE-MRXNPFEDSA-N 0 1 380.456 1.241 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)no1 ZINC001571172842 952810492 /nfs/dbraw/zinc/81/04/92/952810492.db2.gz ZFPJXCOSFRSOQA-ZETCQYMHSA-N 0 1 380.821 1.600 20 0 GDADMN Cc1ccc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c(F)c1 ZINC001571178294 952838939 /nfs/dbraw/zinc/83/89/39/952838939.db2.gz FKOBTAYYWQVJNL-CYBMUJFWSA-N 0 1 381.415 1.705 20 0 GDADMN Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571179215 952850281 /nfs/dbraw/zinc/85/02/81/952850281.db2.gz ACNFPWSCRXGOAQ-DIFFPNOSSA-N 0 1 381.440 1.395 20 0 GDADMN Cc1noc(C)c1CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571181819 952866068 /nfs/dbraw/zinc/86/60/68/952866068.db2.gz YQZMIZGAPJBQHL-MRXNPFEDSA-N 0 1 381.440 1.405 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC001571182842 952870140 /nfs/dbraw/zinc/87/01/40/952870140.db2.gz HNHGCCYMFIYBSG-UHFFFAOYSA-N 0 1 381.440 1.598 20 0 GDADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)c1ncccc1F ZINC001571183036 952872414 /nfs/dbraw/zinc/87/24/14/952872414.db2.gz MJTHKKPJCPHIHW-ZDUSSCGKSA-N 0 1 381.415 1.653 20 0 GDADMN COc1ccc(CN2CC[C@H](N(C)C(=O)c3cc[nH]c3)C2)cc1-c1nn[nH]n1 ZINC001571183080 952873201 /nfs/dbraw/zinc/87/32/01/952873201.db2.gz NTYGBQWCUABOBQ-HNNXBMFYSA-N 0 1 381.440 1.550 20 0 GDADMN O=C(N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1ccncc1F ZINC001571183259 952874937 /nfs/dbraw/zinc/87/49/37/952874937.db2.gz USCQDUHUUUCJTB-OAHLLOKOSA-N 0 1 381.415 1.795 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183216 952875002 /nfs/dbraw/zinc/87/50/02/952875002.db2.gz SSRHMILQEMSYQC-UONOGXRCSA-N 0 1 381.440 1.558 20 0 GDADMN Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c1C ZINC001571186305 952906987 /nfs/dbraw/zinc/90/69/87/952906987.db2.gz WDECDGBBZCVJKT-TZMCWYRMSA-N 0 1 381.444 1.034 20 0 GDADMN Cc1c[nH]c(C(=O)N2CC[C@@H](C)C[C@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001571186284 952907250 /nfs/dbraw/zinc/90/72/50/952907250.db2.gz VKTSHUGHTMTVFJ-YPMHNXCESA-N 0 1 381.444 1.068 20 0 GDADMN Cc1cnc(CN[C@@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1 ZINC001571188152 952912102 /nfs/dbraw/zinc/91/21/02/952912102.db2.gz GUMZRMXOZHDNDX-ZIAGYGMSSA-N 0 1 381.444 1.124 20 0 GDADMN Cc1cc(CNC[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)ncn1 ZINC001571188378 952913212 /nfs/dbraw/zinc/91/32/12/952913212.db2.gz JWTVNQLHIDYVFY-AWEZNQCLSA-N 0 1 381.444 1.078 20 0 GDADMN Cc1ncc(C(=O)N2C[C@@H](C)[C@H](CCNc3ccc(-c4nn[nH]n4)nc3)C2)[nH]1 ZINC001571188500 952915648 /nfs/dbraw/zinc/91/56/48/952915648.db2.gz CBRBXPSMSOGLOY-DGCLKSJQSA-N 0 1 381.444 1.504 20 0 GDADMN Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)[nH]1 ZINC001571188988 952923049 /nfs/dbraw/zinc/92/30/49/952923049.db2.gz LIKJGISKSAMFOT-HUUCEWRRSA-N 0 1 381.444 1.177 20 0 GDADMN Cc1nc(NC[C@H]2CCCN(C(=O)Cc3ccn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571189279 952927552 /nfs/dbraw/zinc/92/75/52/952927552.db2.gz PDQDPQWVJUDPCI-CYBMUJFWSA-N 0 1 381.444 1.186 20 0 GDADMN CN(C(=O)[C@H](F)c1ccccc1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571196966 952986454 /nfs/dbraw/zinc/98/64/54/952986454.db2.gz QWRVJAGEBZNYSZ-SSDMNJCBSA-N 0 1 382.403 1.191 20 0 GDADMN Cc1noc(C)c1C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001571201728 953020149 /nfs/dbraw/zinc/02/01/49/953020149.db2.gz NRHXDCFXKUNRPL-YMTOWFKASA-N 0 1 382.428 1.430 20 0 GDADMN Cc1nc(C(=O)N[C@@H](C)[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)co1 ZINC001571202731 953028137 /nfs/dbraw/zinc/02/81/37/953028137.db2.gz XNNISHVCTPONGJ-AAEUAGOBSA-N 0 1 382.428 1.593 20 0 GDADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC001571212995 953092460 /nfs/dbraw/zinc/09/24/60/953092460.db2.gz PGRZRIIVDVHVDA-TZMCWYRMSA-N 0 1 382.472 1.568 20 0 GDADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001571219922 953127731 /nfs/dbraw/zinc/12/77/31/953127731.db2.gz TUPHWRGMTUVHRA-AWEZNQCLSA-N 0 1 383.412 1.210 20 0 GDADMN Cc1nonc1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571224747 953150374 /nfs/dbraw/zinc/15/03/74/953150374.db2.gz FLJAURKMLPOWFI-YPMHNXCESA-N 0 1 383.416 1.049 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232914 953189800 /nfs/dbraw/zinc/18/98/00/953189800.db2.gz MDGFJDBAAUDTJI-CRFBAAHOSA-N 0 1 383.456 1.224 20 0 GDADMN Cc1cc(CN2CC[C@@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)cs1 ZINC001571233971 953197346 /nfs/dbraw/zinc/19/73/46/953197346.db2.gz JKZOGZLLVUKTBN-CZUORRHYSA-N 0 1 383.481 1.911 20 0 GDADMN O=C(CCc1ccncc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571233970 953197485 /nfs/dbraw/zinc/19/74/85/953197485.db2.gz JKPBRHOJTDYGOK-CQSZACIVSA-N 0 1 383.481 1.647 20 0 GDADMN O=C(CCc1ccncc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571233970 953197490 /nfs/dbraw/zinc/19/74/90/953197490.db2.gz JKPBRHOJTDYGOK-CQSZACIVSA-N 0 1 383.481 1.647 20 0 GDADMN O=S(=O)(N[C@@H]1COc2c1cccc2Cl)c1ccsc1-c1nn[nH]n1 ZINC001571235060 953208807 /nfs/dbraw/zinc/20/88/07/953208807.db2.gz RHMFZETWZXPHNT-SECBINFHSA-N 0 1 383.842 1.994 20 0 GDADMN CN(C[C@@H]1CCN(C(=O)Cc2cscn2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571244581 953265297 /nfs/dbraw/zinc/26/52/97/953265297.db2.gz BNMMESXVADTCEE-LBPRGKRZSA-N 0 1 384.469 1.246 20 0 GDADMN C[C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571244707 953266765 /nfs/dbraw/zinc/26/67/65/953266765.db2.gz FSSAPTGXCJXYEE-IAQYHMDHSA-N 0 1 384.469 1.032 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245158 953270978 /nfs/dbraw/zinc/27/09/78/953270978.db2.gz DUHZAVGRNGFKQO-BXUZGUMPSA-N 0 1 384.469 1.493 20 0 GDADMN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)nn1 ZINC001571245817 953276856 /nfs/dbraw/zinc/27/68/56/953276856.db2.gz ZLSNXMGVDOYKPE-YPMHNXCESA-N 0 1 384.469 1.419 20 0 GDADMN Cc1nscc1C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571248354 953292536 /nfs/dbraw/zinc/29/25/36/953292536.db2.gz RHXQCYMBWAAGHZ-UHFFFAOYSA-N 0 1 384.469 1.413 20 0 GDADMN Cc1ncc(CN2CCCCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)o1 ZINC001571248973 953299919 /nfs/dbraw/zinc/29/99/19/953299919.db2.gz NDMICZMNDGHMDX-CQSZACIVSA-N 0 1 384.444 1.666 20 0 GDADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571249954 953308485 /nfs/dbraw/zinc/30/84/85/953308485.db2.gz MVUBJTDGRWQOKJ-KBPBESRZSA-N 0 1 384.488 1.252 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001571250501 953311748 /nfs/dbraw/zinc/31/17/48/953311748.db2.gz QJUNRVLRAQIQGF-ZBFHGGJFSA-N 0 1 384.488 1.077 20 0 GDADMN C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571251422 953317776 /nfs/dbraw/zinc/31/77/76/953317776.db2.gz XKYCFSYLQRZDKD-LSDHHAIUSA-N 0 1 384.488 1.254 20 0 GDADMN CC[C@@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571252768 953332660 /nfs/dbraw/zinc/33/26/60/953332660.db2.gz WBXQNQLPLPLQQM-NWDGAFQWSA-N 0 1 384.488 1.812 20 0 GDADMN Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CCCN3C)CC2)ccc1-c1nn[nH]n1 ZINC001571252840 953333188 /nfs/dbraw/zinc/33/31/88/953333188.db2.gz WKKCEMUQYAJCQS-ZBFHGGJFSA-N 0 1 384.488 1.139 20 0 GDADMN O=C([O-])CC[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000424268226 953445879 /nfs/dbraw/zinc/44/58/79/953445879.db2.gz ZPZIBHGLLUOQRF-MRXNPFEDSA-N 0 1 375.473 1.235 20 0 GDADMN CC(C)C[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000424403733 953468817 /nfs/dbraw/zinc/46/88/17/953468817.db2.gz BLTURZOAUYEFDT-YLJYHZDGSA-N 0 1 377.485 1.670 20 0 GDADMN Cc1ccc(NC(=O)C[N@@H+](C)CCC(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000430675579 953501462 /nfs/dbraw/zinc/50/14/62/953501462.db2.gz FWURNIDZKZKXRH-UHFFFAOYSA-N 0 1 397.497 1.515 20 0 GDADMN COc1ccc(CN2CCN(C(=O)C[N@H+]3C[C@@H](C(=O)[O-])CC[C@H]3C)CC2)cc1 ZINC000517370497 953546317 /nfs/dbraw/zinc/54/63/17/953546317.db2.gz KYAFUXJVDDCYMX-AEFFLSMTSA-N 0 1 389.496 1.525 20 0 GDADMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000530209343 953559127 /nfs/dbraw/zinc/55/91/27/953559127.db2.gz WYXQNIBWWVYWBP-NRFANRHFSA-N 0 1 387.480 1.205 20 0 GDADMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000530209343 953559137 /nfs/dbraw/zinc/55/91/37/953559137.db2.gz WYXQNIBWWVYWBP-NRFANRHFSA-N 0 1 387.480 1.205 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563127079 953594522 /nfs/dbraw/zinc/59/45/22/953594522.db2.gz VVVIPRCPHSOZTP-OWCLPIDISA-N 0 1 375.469 1.472 20 0 GDADMN CN(C(=O)c1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000571325068 953659910 /nfs/dbraw/zinc/65/99/10/953659910.db2.gz JAXOSPIIMIXBNO-OAHLLOKOSA-N 0 1 397.435 1.593 20 0 GDADMN CN(CCOc1ccccc1F)C(=O)C[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000582240924 953722997 /nfs/dbraw/zinc/72/29/97/953722997.db2.gz SCMLYNOAHFJEER-UHFFFAOYSA-N 0 1 382.432 1.619 20 0 GDADMN 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O=c1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)[nH][nH]1 ZINC000288877630 532310235 /nfs/dbraw/zinc/31/02/35/532310235.db2.gz HLXCQTZHGKSJBB-VIFPVBQESA-N 0 1 376.360 1.685 20 0 GDADMN C[C@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)nc1 ZINC000289527496 532327098 /nfs/dbraw/zinc/32/70/98/532327098.db2.gz AAGCHIJSBCDUBD-ZFWWWQNUSA-N 0 1 397.317 1.428 20 0 GDADMN NC(=O)c1csc(CN[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000289964666 532334818 /nfs/dbraw/zinc/33/48/18/532334818.db2.gz CTFZGQPUVNCBOV-GFCCVEGCSA-N 0 1 385.536 1.851 20 0 GDADMN COC(=O)[C@@H]1CN([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1(C)C ZINC000359864785 212120849 /nfs/dbraw/zinc/12/08/49/212120849.db2.gz CIUHMHWBHMTAQA-HOCLYGCPSA-N 0 1 392.496 1.882 20 0 GDADMN CC[C@@H](C)CS(=O)(=O)N(CCN(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736321272 598834722 /nfs/dbraw/zinc/83/47/22/598834722.db2.gz AEDPAVJDEGMIJZ-CQSZACIVSA-N 0 1 380.518 1.606 20 0 GDADMN COC1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)C1 ZINC000736966532 598892991 /nfs/dbraw/zinc/89/29/91/598892991.db2.gz SUTRMCGTTDGYQR-UHFFFAOYSA-N 0 1 399.411 1.188 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000737297300 598951657 /nfs/dbraw/zinc/95/16/57/598951657.db2.gz HEZWHBCLYAYVLP-ZIAGYGMSSA-N 0 1 378.502 1.716 20 0 GDADMN c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000738435793 598959554 /nfs/dbraw/zinc/95/95/54/598959554.db2.gz ABABRBAVTZDUGA-CQSZACIVSA-N 0 1 380.456 1.865 20 0 GDADMN c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000738435793 598959555 /nfs/dbraw/zinc/95/95/55/598959555.db2.gz ABABRBAVTZDUGA-CQSZACIVSA-N 0 1 380.456 1.865 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCON=C(N)CN1CCCC[C@@H]1C ZINC000737032406 598979196 /nfs/dbraw/zinc/97/91/96/598979196.db2.gz KWNWKOOWMHKYQU-ZDUSSCGKSA-N 0 1 389.460 1.627 20 0 GDADMN C[C@@H](CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)N1CCc2ccccc21 ZINC000736026115 599088449 /nfs/dbraw/zinc/08/84/49/599088449.db2.gz QNBHOUIANQXWRA-UGSOOPFHSA-N 0 1 377.452 1.434 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ZINC000818523937 597044955 /nfs/dbraw/zinc/04/49/55/597044955.db2.gz XLFJOGBLNIVSAB-ZDUSSCGKSA-N 0 1 389.408 1.386 20 0 GDADMN Cc1cc(N2CCC[C@H](NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)C2)nc(C)[nH+]1 ZINC000818829960 597061340 /nfs/dbraw/zinc/06/13/40/597061340.db2.gz WUTXOAKISBUFLE-HOTGVXAUSA-N 0 1 375.473 1.959 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCC2Cc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000737188030 599240022 /nfs/dbraw/zinc/24/00/22/599240022.db2.gz WGBBMDYNKDRWPU-UHFFFAOYSA-N 0 1 382.449 1.834 20 0 GDADMN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000736407101 599240720 /nfs/dbraw/zinc/24/07/20/599240720.db2.gz FATCGTKKYRPERT-YOEHRIQHSA-N 0 1 387.488 1.680 20 0 GDADMN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737975214 599252850 /nfs/dbraw/zinc/25/28/50/599252850.db2.gz MZSCRIPMHSVLBU-UHFFFAOYSA-N 0 1 389.206 1.819 20 0 GDADMN CCCc1nc([C@H]2CN(C(=O)Nc3cccc(-c4nn[nH]n4)c3C)CCO2)n[nH]1 ZINC000821143809 607283777 /nfs/dbraw/zinc/28/37/77/607283777.db2.gz YGZSCSAHDJBOJI-CQSZACIVSA-N 0 1 397.443 1.851 20 0 GDADMN CCCc1n[nH]c([C@H]2CN(C(=O)Nc3cccc(-c4nn[nH]n4)c3C)CCO2)n1 ZINC000821143809 607283778 /nfs/dbraw/zinc/28/37/78/607283778.db2.gz YGZSCSAHDJBOJI-CQSZACIVSA-N 0 1 397.443 1.851 20 0 GDADMN CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)C(=O)[O-] ZINC000820425422 597408988 /nfs/dbraw/zinc/40/89/88/597408988.db2.gz UCTPGSGQVABMIM-YOEHRIQHSA-N 0 1 390.484 1.383 20 0 GDADMN CC(C)C[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)C(=O)[O-] ZINC000819967256 597509214 /nfs/dbraw/zinc/50/92/14/597509214.db2.gz PNKIFLVKCUWKRZ-JKSUJKDBSA-N 0 1 376.457 1.757 20 0 GDADMN CC(C)C[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)C(=O)[O-] ZINC000819967256 597509216 /nfs/dbraw/zinc/50/92/16/597509216.db2.gz PNKIFLVKCUWKRZ-JKSUJKDBSA-N 0 1 376.457 1.757 20 0 GDADMN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000818394658 597531751 /nfs/dbraw/zinc/53/17/51/597531751.db2.gz KMUVGTOGIFKXLT-NSHDSACASA-N 0 1 387.358 1.509 20 0 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ZINC000823690165 606451208 /nfs/dbraw/zinc/45/12/08/606451208.db2.gz LVSRZQBATAQSHZ-AWEZNQCLSA-N 0 1 385.859 1.746 20 0 GDADMN O[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)C[N@H+]1CCc2ccccc2C1 ZINC000823690165 606451209 /nfs/dbraw/zinc/45/12/09/606451209.db2.gz LVSRZQBATAQSHZ-AWEZNQCLSA-N 0 1 385.859 1.746 20 0 GDADMN O[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)C[N@@H+]1CCc2ccccc2C1 ZINC000823690165 606451211 /nfs/dbraw/zinc/45/12/11/606451211.db2.gz LVSRZQBATAQSHZ-AWEZNQCLSA-N 0 1 385.859 1.746 20 0 GDADMN O[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)C[N@H+]1CCc2ccccc2C1 ZINC000823690165 606451213 /nfs/dbraw/zinc/45/12/13/606451213.db2.gz LVSRZQBATAQSHZ-AWEZNQCLSA-N 0 1 385.859 1.746 20 0 GDADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000822731932 606480950 /nfs/dbraw/zinc/48/09/50/606480950.db2.gz FHUMELZVZMCOKV-HNNXBMFYSA-N 0 1 394.426 1.765 20 0 GDADMN O=C1CC2(CN1)CCN(Cc1ccc(-c3nn[nH]n3)cc1OC(F)F)CC2 ZINC000823524836 606506799 /nfs/dbraw/zinc/50/67/99/606506799.db2.gz CLFYEMUMMWKUNT-UHFFFAOYSA-N 0 1 378.383 1.570 20 0 GDADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820759934 606583612 /nfs/dbraw/zinc/58/36/12/606583612.db2.gz OCGOQDXAPGSVAG-YOEHRIQHSA-N 0 1 377.452 1.902 20 0 GDADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820759934 606583614 /nfs/dbraw/zinc/58/36/14/606583614.db2.gz OCGOQDXAPGSVAG-YOEHRIQHSA-N 0 1 377.452 1.902 20 0 GDADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820759934 606583616 /nfs/dbraw/zinc/58/36/16/606583616.db2.gz OCGOQDXAPGSVAG-YOEHRIQHSA-N 0 1 377.452 1.902 20 0 GDADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820759934 606583618 /nfs/dbraw/zinc/58/36/18/606583618.db2.gz OCGOQDXAPGSVAG-YOEHRIQHSA-N 0 1 377.452 1.902 20 0 GDADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000822005361 606587521 /nfs/dbraw/zinc/58/75/21/606587521.db2.gz QLTMWVQKZODYGJ-ZIAGYGMSSA-N 0 1 387.488 1.506 20 0 GDADMN C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cnn(C)c1 ZINC000819856388 606624133 /nfs/dbraw/zinc/62/41/33/606624133.db2.gz JUTHXPBJWDWRTO-HNNXBMFYSA-N 0 1 394.483 1.438 20 0 GDADMN CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000820981041 606700208 /nfs/dbraw/zinc/70/02/08/606700208.db2.gz OGDNHELWJVGKIS-STQMWFEESA-N 0 1 389.508 1.216 20 0 GDADMN CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000820981041 606700209 /nfs/dbraw/zinc/70/02/09/606700209.db2.gz OGDNHELWJVGKIS-STQMWFEESA-N 0 1 389.508 1.216 20 0 GDADMN COc1coc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1=O ZINC000821911566 606747812 /nfs/dbraw/zinc/74/78/12/606747812.db2.gz YJHMDCDKSXMEEI-UHFFFAOYSA-N 0 1 399.411 1.016 20 0 GDADMN C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@]2(CCOC2)C1 ZINC000819868456 606771843 /nfs/dbraw/zinc/77/18/43/606771843.db2.gz YHARQWIGFIHYMY-GTNSWQLSSA-N 0 1 376.848 1.960 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1N(C)C ZINC000820803712 606785020 /nfs/dbraw/zinc/78/50/20/606785020.db2.gz GFZQKNDZCNPPKW-AWEZNQCLSA-N 0 1 379.472 1.433 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1N(C)C ZINC000820803712 606785021 /nfs/dbraw/zinc/78/50/21/606785021.db2.gz GFZQKNDZCNPPKW-AWEZNQCLSA-N 0 1 379.472 1.433 20 0 GDADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000821669296 606788145 /nfs/dbraw/zinc/78/81/45/606788145.db2.gz FJJFSKMRBYNJSV-UHFFFAOYSA-N 0 1 377.357 1.593 20 0 GDADMN Cc1cc(C)cc(OCCN(C)C(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c1 ZINC000822197957 606825365 /nfs/dbraw/zinc/82/53/65/606825365.db2.gz WEZDKZSOSWFYCP-UHFFFAOYSA-N 0 1 382.424 1.183 20 0 GDADMN COc1cccc(N2CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821873867 606844860 /nfs/dbraw/zinc/84/48/60/606844860.db2.gz ZLUIVGPCHLFVGI-IBGZPJMESA-N 0 1 380.452 1.731 20 0 GDADMN O=S1(=O)CCc2cc(CNCc3cnc4ccc(-c5nn[nH]n5)cn34)ccc21 ZINC000823613993 606868340 /nfs/dbraw/zinc/86/83/40/606868340.db2.gz NSOBXQQSXXCJSY-UHFFFAOYSA-N 0 1 395.448 1.134 20 0 GDADMN O=S(=O)([N-][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572531 606887684 /nfs/dbraw/zinc/88/76/84/606887684.db2.gz IRDOUHJLZRUTTQ-OLZOCXBDSA-N 0 1 384.412 1.050 20 0 GDADMN O=S(=O)(N[C@H]1C[C@@H]1c1ccccc1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572132 606889285 /nfs/dbraw/zinc/88/92/85/606889285.db2.gz BYYUVSNUVSQYDX-RISCZKNCSA-N 0 1 377.376 1.979 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CC[C@H](Oc2ccccn2)C1 ZINC000821702445 606915051 /nfs/dbraw/zinc/91/50/51/606915051.db2.gz TWMCCUHMGCGBEC-HNNXBMFYSA-N 0 1 382.424 1.802 20 0 GDADMN COc1ccc(CN2CCN(C(=O)N3CCNCC3)CC2)cc1Br ZINC000530242263 649968734 /nfs/dbraw/zinc/96/87/34/649968734.db2.gz AULJMZKMSSUUQQ-UHFFFAOYSA-N 0 1 397.317 1.601 20 0 GDADMN O=S(=O)(Nc1ccc(Br)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823589106 606980780 /nfs/dbraw/zinc/98/07/80/606980780.db2.gz NNAQUNNKLJFZLP-UHFFFAOYSA-N 0 1 381.215 1.825 20 0 GDADMN NC(=O)[C@H](NCC[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850847 606987657 /nfs/dbraw/zinc/98/76/57/606987657.db2.gz RVTLXUZQXAPQLG-RHSMWYFYSA-N 0 1 380.408 1.213 20 0 GDADMN NC(=O)[C@@H](NCC[C@H]1COc2ccccc2O1)c1ccc(-c2nn[nH]n2)cc1 ZINC000822850849 606988221 /nfs/dbraw/zinc/98/82/21/606988221.db2.gz RVTLXUZQXAPQLG-YOEHRIQHSA-N 0 1 380.408 1.213 20 0 GDADMN COCCN1CCC[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821691087 607023045 /nfs/dbraw/zinc/02/30/45/607023045.db2.gz IDWJTQIHADDSLS-HNNXBMFYSA-N 0 1 388.472 1.251 20 0 GDADMN Cc1cc(=O)[nH]cc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822160244 607025701 /nfs/dbraw/zinc/02/57/01/607025701.db2.gz FVFDZIXFORRRKW-UHFFFAOYSA-N 0 1 396.411 1.104 20 0 GDADMN COC(=O)[C@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]1C ZINC000530340211 649970264 /nfs/dbraw/zinc/97/02/64/649970264.db2.gz NEVYPCKRKLOSGP-GWCFXTLKSA-N 0 1 380.242 1.840 20 0 GDADMN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821938223 607058791 /nfs/dbraw/zinc/05/87/91/607058791.db2.gz ZBFKEOBBIAXGHZ-CQSZACIVSA-N 0 1 382.465 1.300 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000823136173 607157406 /nfs/dbraw/zinc/15/74/06/607157406.db2.gz NFWLNNMHQRMZOM-UHFFFAOYSA-N 0 1 390.363 1.316 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1-c1nn[nH]n1 ZINC000821970468 607159898 /nfs/dbraw/zinc/15/98/98/607159898.db2.gz OCGKYIXXPSHZTB-DYZYQPBXSA-N 0 1 390.469 1.456 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1-c1nn[nH]n1 ZINC000821976611 607166971 /nfs/dbraw/zinc/16/69/71/607166971.db2.gz BYTPISIKCUIMBK-JTQLQIEISA-N 0 1 390.469 1.911 20 0 GDADMN COc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1Cc1ccccc1 ZINC000821832075 607205756 /nfs/dbraw/zinc/20/57/56/607205756.db2.gz YNDTXZZLYFSRIE-UHFFFAOYSA-N 0 1 390.407 1.696 20 0 GDADMN COc1ccccc1Oc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821903216 607205780 /nfs/dbraw/zinc/20/57/80/607205780.db2.gz DIJAUZBFMVPNHT-UHFFFAOYSA-N 0 1 392.379 1.898 20 0 GDADMN Cc1sc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)nc1-c1ccc(C)cc1 ZINC000822214144 607208920 /nfs/dbraw/zinc/20/89/20/607208920.db2.gz QVSLFARHJSCMPR-UHFFFAOYSA-N 0 1 381.425 1.837 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000823125683 607212633 /nfs/dbraw/zinc/21/26/33/607212633.db2.gz AVXCWPDFKCRNTA-UHFFFAOYSA-N 0 1 379.211 1.350 20 0 GDADMN COc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)cc1 ZINC000821845973 607219803 /nfs/dbraw/zinc/21/98/03/607219803.db2.gz MUBHGFSQTJWYCB-UHFFFAOYSA-N 0 1 393.367 1.293 20 0 GDADMN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820821298 607222371 /nfs/dbraw/zinc/22/23/71/607222371.db2.gz SCPNMHWJXOAXGI-QMMMGPOBSA-N 0 1 393.238 1.911 20 0 GDADMN Cc1ccc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826281596 607793263 /nfs/dbraw/zinc/79/32/63/607793263.db2.gz BBBKPHBQQKHFDS-UHFFFAOYSA-N 0 1 377.452 1.918 20 0 GDADMN O=S(=O)(CCNC[C@H](O)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485551 607816002 /nfs/dbraw/zinc/81/60/02/607816002.db2.gz VFUBYOAHNSBVFC-INIZCTEOSA-N 0 1 391.428 1.103 20 0 GDADMN O=S1(=O)CCC(CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000826497136 607958837 /nfs/dbraw/zinc/95/88/37/607958837.db2.gz VQSNQOUHFGHBQA-UHFFFAOYSA-N 0 1 390.513 1.204 20 0 GDADMN O[C@H](CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826506323 607992391 /nfs/dbraw/zinc/99/23/91/607992391.db2.gz RPNPRLHTTYOQJE-ZTFGCOKTSA-N 0 1 387.390 1.986 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C(C)=O)cc2)c1-c1nnn[n-]1 ZINC000826077713 608019602 /nfs/dbraw/zinc/01/96/02/608019602.db2.gz RJHABOHNXRPLNF-UHFFFAOYSA-N 0 1 382.428 1.126 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C(C)=O)cc2)c1-c1nn[n-]n1 ZINC000826077713 608019603 /nfs/dbraw/zinc/01/96/03/608019603.db2.gz RJHABOHNXRPLNF-UHFFFAOYSA-N 0 1 382.428 1.126 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(Cl)ccc2F)c1-c1nnn[n-]1 ZINC000826083335 608020886 /nfs/dbraw/zinc/02/08/86/608020886.db2.gz IVSWVYDSVHKABW-UHFFFAOYSA-N 0 1 379.787 1.182 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(Cl)ccc2F)c1-c1nn[n-]n1 ZINC000826083335 608020887 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CIKJBPDUNVBLKE-VXGBXAGGSA-N 0 1 392.414 1.567 20 0 GDADMN CCn1cc(C(=O)N2C[C@H]3CCN(Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)cn1 ZINC001571312988 946508155 /nfs/dbraw/zinc/50/81/55/946508155.db2.gz GWMYBGGRLZLXMR-SJLPKXTDSA-N 0 1 392.467 1.430 20 0 GDADMN Cc1cc(N[C@H]2CN(C(=O)c3cc(C)c(C)cn3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314916 946543944 /nfs/dbraw/zinc/54/39/44/946543944.db2.gz DMMNWFZNXKCNQF-UGSOOPFHSA-N 0 1 392.467 1.576 20 0 GDADMN Cc1cc(N[C@@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571315853 946560476 /nfs/dbraw/zinc/56/04/76/946560476.db2.gz PTHUIILPEUIRMK-SCLBCKFNSA-N 0 1 392.467 1.279 20 0 GDADMN Cc1ccccc1[C@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571316491 946579832 /nfs/dbraw/zinc/57/98/32/946579832.db2.gz DLHBKVATBPEZMZ-LSDHHAIUSA-N 0 1 392.467 1.806 20 0 GDADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824562058 946801171 /nfs/dbraw/zinc/80/11/71/946801171.db2.gz CHEQMYQZQCJMJN-GFCCVEGCSA-N 0 1 380.408 1.927 20 0 GDADMN C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568766 946805908 /nfs/dbraw/zinc/80/59/08/946805908.db2.gz CKJLHQSOAXONSA-RISCZKNCSA-N 0 1 393.494 1.414 20 0 GDADMN CC(C(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1)=C1CCC1 ZINC001573591853 947322491 /nfs/dbraw/zinc/32/24/91/947322491.db2.gz GSTRFQXIJNRLLD-OAHLLOKOSA-N 0 1 385.472 1.326 20 0 GDADMN CC(C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)=C1CCC1 ZINC001573594345 947393720 /nfs/dbraw/zinc/39/37/20/947393720.db2.gz YDRFLHLMHVTUQD-CQSZACIVSA-N 0 1 390.513 1.680 20 0 GDADMN CC(C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)=C1CCC1 ZINC001573594345 947393731 /nfs/dbraw/zinc/39/37/31/947393731.db2.gz YDRFLHLMHVTUQD-CQSZACIVSA-N 0 1 390.513 1.680 20 0 GDADMN C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)(F)F ZINC001573602919 947473150 /nfs/dbraw/zinc/47/31/50/947473150.db2.gz BNRWJWVMPFCJGY-SNVBAGLBSA-N 0 1 388.444 1.130 20 0 GDADMN C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)(F)F ZINC001573602919 947473156 /nfs/dbraw/zinc/47/31/56/947473156.db2.gz BNRWJWVMPFCJGY-SNVBAGLBSA-N 0 1 388.444 1.130 20 0 GDADMN C[C@H](C(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001573603340 947484312 /nfs/dbraw/zinc/48/43/12/947484312.db2.gz KKKJUONDXUKVCY-SUMWQHHRSA-N 0 1 390.463 1.711 20 0 GDADMN C[C@@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573613835 947573558 /nfs/dbraw/zinc/57/35/58/947573558.db2.gz JNLXFBYJJJHBDP-VHSXEESVSA-N 0 1 380.403 1.019 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1)n1cccc1 ZINC001573615184 947600729 /nfs/dbraw/zinc/60/07/29/947600729.db2.gz IQIRMAAHDLAEIS-LSDHHAIUSA-N 0 1 380.456 1.397 20 0 GDADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573615972 947615599 /nfs/dbraw/zinc/61/55/99/947615599.db2.gz UOOFSIJTUSOEKH-YUELXQCFSA-N 0 1 382.472 1.663 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573367951 947764926 /nfs/dbraw/zinc/76/49/26/947764926.db2.gz JPDRNNNUZRFVKD-LSDHHAIUSA-N 0 1 385.472 1.400 20 0 GDADMN C[C@H](C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cccnc1 ZINC001573629090 947771673 /nfs/dbraw/zinc/77/16/73/947771673.db2.gz MADLJBJWHNCMQP-DZGCQCFKSA-N 0 1 378.440 1.285 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573629635 947781277 /nfs/dbraw/zinc/78/12/77/947781277.db2.gz OTAAJWXMZPFFTN-KGLIPLIRSA-N 0 1 384.488 1.555 20 0 GDADMN CC(=O)CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573372864 947784003 /nfs/dbraw/zinc/78/40/03/947784003.db2.gz DYVHBZFRPVVUHA-LSDHHAIUSA-N 0 1 385.472 1.482 20 0 GDADMN CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573373566 947795429 /nfs/dbraw/zinc/79/54/29/947795429.db2.gz DPFIPYLZARTWSN-SCLBCKFNSA-N 0 1 384.444 1.034 20 0 GDADMN C[C@H](C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccsc1 ZINC001573638040 947830695 /nfs/dbraw/zinc/83/06/95/947830695.db2.gz ZKGDGSOVHASNFZ-LBPRGKRZSA-N 0 1 384.469 1.561 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573376291 947835046 /nfs/dbraw/zinc/83/50/46/947835046.db2.gz XNGBGVFYCKABRA-HNNXBMFYSA-N 0 1 385.472 1.614 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573376325 947835184 /nfs/dbraw/zinc/83/51/84/947835184.db2.gz YSUBGYVWEHETSP-CYBMUJFWSA-N 0 1 376.486 1.626 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573376325 947835191 /nfs/dbraw/zinc/83/51/91/947835191.db2.gz YSUBGYVWEHETSP-CYBMUJFWSA-N 0 1 376.486 1.626 20 0 GDADMN C[C@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[NH+]1CCCCCC1 ZINC001573638763 947841248 /nfs/dbraw/zinc/84/12/48/947841248.db2.gz URVVEQYFZYHYAP-OAHLLOKOSA-N 0 1 384.488 1.175 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001573377738 947853081 /nfs/dbraw/zinc/85/30/81/947853081.db2.gz SFYXTLDJXAJBRE-KUHUBIRLSA-N 0 1 383.456 1.306 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573378051 947854058 /nfs/dbraw/zinc/85/40/58/947854058.db2.gz VGJMTXYQKLJKJZ-GJZGRUSLSA-N 0 1 385.472 1.742 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573381498 947874687 /nfs/dbraw/zinc/87/46/87/947874687.db2.gz WKWNBTLMKCUJKE-DZGCQCFKSA-N 0 1 385.472 1.803 20 0 GDADMN CC(=O)CCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573381532 947876385 /nfs/dbraw/zinc/87/63/85/947876385.db2.gz XAPZJVLVXBHXJC-CYBMUJFWSA-N 0 1 386.460 1.137 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346308 948038599 /nfs/dbraw/zinc/03/85/99/948038599.db2.gz JGPLRYMOOBHTEK-BBRMVZONSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346308 948038607 /nfs/dbraw/zinc/03/86/07/948038607.db2.gz JGPLRYMOOBHTEK-BBRMVZONSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346308 948038617 /nfs/dbraw/zinc/03/86/17/948038617.db2.gz JGPLRYMOOBHTEK-BBRMVZONSA-N 0 1 395.467 1.875 20 0 GDADMN Cc1onc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346308 948038625 /nfs/dbraw/zinc/03/86/25/948038625.db2.gz JGPLRYMOOBHTEK-BBRMVZONSA-N 0 1 395.467 1.875 20 0 GDADMN C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)C(C)(F)F ZINC001573664071 948045865 /nfs/dbraw/zinc/04/58/65/948045865.db2.gz RTQZCPWKTYUVKJ-WDEREUQCSA-N 0 1 392.414 1.423 20 0 GDADMN C[C@@H](C(=O)N[C@]1(CO)CCCN(Cc2ccccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573664252 948051983 /nfs/dbraw/zinc/05/19/83/948051983.db2.gz SNMFWWQRFBZYGI-JLTOFOAXSA-N 0 1 384.484 1.356 20 0 GDADMN Cc1onc(CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1-c1nnn[n-]1 ZINC000826349057 948087228 /nfs/dbraw/zinc/08/72/28/948087228.db2.gz RLSKJFIEZGCBSC-UHFFFAOYSA-N 0 1 396.455 1.850 20 0 GDADMN Cc1onc(CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1-c1nn[n-]n1 ZINC000826349057 948087234 /nfs/dbraw/zinc/08/72/34/948087234.db2.gz RLSKJFIEZGCBSC-UHFFFAOYSA-N 0 1 396.455 1.850 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)n1cccc1 ZINC001573676219 948125684 /nfs/dbraw/zinc/12/56/84/948125684.db2.gz SPWDJBYSXHEKSU-NXEZZACHSA-N 0 1 392.876 1.734 20 0 GDADMN Cn1cc(CN2CCN([C@H]3CCOC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361175 948128745 /nfs/dbraw/zinc/12/87/45/948128745.db2.gz OCRSMOFGMHCGFB-SFHVURJKSA-N 0 1 394.483 1.174 20 0 GDADMN C[C@H](C(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1)C(C)(C)C ZINC001573678577 948153257 /nfs/dbraw/zinc/15/32/57/948153257.db2.gz FHOACOLXWFDDBT-SFYZADRCSA-N 0 1 387.897 1.548 20 0 GDADMN NC(=O)CC[C@H]1CCCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826390988 948198416 /nfs/dbraw/zinc/19/84/16/948198416.db2.gz STDGQKIIPIYZOT-PBHICJAKSA-N 0 1 397.483 1.340 20 0 GDADMN CC(=O)N1CCC(CO[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)CC1 ZINC001573433757 948205735 /nfs/dbraw/zinc/20/57/35/948205735.db2.gz NMQBMTCVPNRSQW-MRXNPFEDSA-N 0 1 385.472 1.424 20 0 GDADMN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001573681904 948216840 /nfs/dbraw/zinc/21/68/40/948216840.db2.gz YSBPBCIZORNYHL-CMPLNLGQSA-N 0 1 392.510 1.360 20 0 GDADMN C[C@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)n1cccc1 ZINC001573690826 948229288 /nfs/dbraw/zinc/22/92/88/948229288.db2.gz BTPHIQXAJYQTSG-CYBMUJFWSA-N 0 1 383.431 1.807 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1)C1CC1 ZINC001573691349 948239698 /nfs/dbraw/zinc/23/96/98/948239698.db2.gz FPUHVVRKQSNQSM-LBPRGKRZSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1)C1CC1 ZINC001573691349 948239707 /nfs/dbraw/zinc/23/97/07/948239707.db2.gz FPUHVVRKQSNQSM-LBPRGKRZSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)n1cccn1 ZINC001573691411 948241905 /nfs/dbraw/zinc/24/19/05/948241905.db2.gz GPCCMRVRUOAYAK-LBPRGKRZSA-N 0 1 384.419 1.202 20 0 GDADMN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573693578 948282664 /nfs/dbraw/zinc/28/26/64/948282664.db2.gz AETLWTIMDAEBBM-HIFPTAJRSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001573693578 948282671 /nfs/dbraw/zinc/28/26/71/948282671.db2.gz AETLWTIMDAEBBM-HIFPTAJRSA-N 0 1 386.485 1.370 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)n1cccc1 ZINC001573693683 948284638 /nfs/dbraw/zinc/28/46/38/948284638.db2.gz ASMUHSQVZQFVJH-XOUADPBQSA-N 0 1 378.440 1.123 20 0 GDADMN C[C@@H](C(=O)NC[C@]1(O)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1)C1CC1 ZINC001573696430 948324400 /nfs/dbraw/zinc/32/44/00/948324400.db2.gz QAIYXOUZRVDBAI-CWTRNNRKSA-N 0 1 388.447 1.105 20 0 GDADMN C[C@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573703388 948354759 /nfs/dbraw/zinc/35/47/59/948354759.db2.gz JVPGTEKNLGFZJK-DZGCQCFKSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573703669 948357371 /nfs/dbraw/zinc/35/73/71/948357371.db2.gz LXXRUCNEUGJKQV-RYUDHWBXSA-N 0 1 379.415 1.886 20 0 GDADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573703619 948358306 /nfs/dbraw/zinc/35/83/06/948358306.db2.gz LHZNVNSTYUNHMS-ZIAGYGMSSA-N 0 1 381.440 1.991 20 0 GDADMN C[C@@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573704196 948368002 /nfs/dbraw/zinc/36/80/02/948368002.db2.gz QKPRBCXVCPLNMR-XSRFYTQQSA-N 0 1 384.469 1.251 20 0 GDADMN O=C1[C@@H](N2CCC(C3OCCO3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476700 948383076 /nfs/dbraw/zinc/38/30/76/948383076.db2.gz NAJUGKIWAVATJU-KRWDZBQOSA-N 0 1 398.467 1.447 20 0 GDADMN C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC001573732726 948607578 /nfs/dbraw/zinc/60/75/78/948607578.db2.gz WLQOEEIFNAUPMH-WDEREUQCSA-N 0 1 386.847 1.452 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)c1cccnc1 ZINC001573741031 948648987 /nfs/dbraw/zinc/64/89/87/948648987.db2.gz XCVWECJSCXUQFJ-CHWSQXEVSA-N 0 1 383.431 1.799 20 0 GDADMN C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573747478 948691511 /nfs/dbraw/zinc/69/15/11/948691511.db2.gz VGNYTYAQVZBHLM-OPRDCNLKSA-N 0 1 384.366 1.116 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1F ZINC001573749514 948701109 /nfs/dbraw/zinc/70/11/09/948701109.db2.gz ZYGQYATXMBCRNX-UTUOFQBUSA-N 0 1 382.403 1.081 20 0 GDADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1)n1cccn1 ZINC001573751989 948708205 /nfs/dbraw/zinc/70/82/05/948708205.db2.gz JMUDFFLJEKIUFV-NBMRYCAZSA-N 0 1 392.467 1.546 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)c1ccco1 ZINC001573751979 948708486 /nfs/dbraw/zinc/70/84/86/948708486.db2.gz JBDIWKFFVVWBEN-CNXAATOLSA-N 0 1 384.465 1.871 20 0 GDADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)c1ccco1 ZINC001573751979 948708497 /nfs/dbraw/zinc/70/84/97/948708497.db2.gz JBDIWKFFVVWBEN-CNXAATOLSA-N 0 1 384.465 1.871 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001573753134 948717692 /nfs/dbraw/zinc/71/76/92/948717692.db2.gz RHILHLXTJSAJMI-MNXVOIDGSA-N 0 1 376.486 1.480 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001573753134 948717697 /nfs/dbraw/zinc/71/76/97/948717697.db2.gz RHILHLXTJSAJMI-MNXVOIDGSA-N 0 1 376.486 1.480 20 0 GDADMN CC(F)(F)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575224159 948777438 /nfs/dbraw/zinc/77/74/38/948777438.db2.gz JRGBWUKXLRVASH-DCAQKATOSA-N 0 1 378.387 1.176 20 0 GDADMN C[C@H](CNC(=O)CCc1ccnn1C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916875 948795541 /nfs/dbraw/zinc/79/55/41/948795541.db2.gz LRLKBSTXDKBLNS-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN C[C@H](CNC(=O)CCc1ccnn1C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916875 948795556 /nfs/dbraw/zinc/79/55/56/948795556.db2.gz LRLKBSTXDKBLNS-GFCCVEGCSA-N 0 1 388.501 1.231 20 0 GDADMN CC(F)(F)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575227323 948825293 /nfs/dbraw/zinc/82/52/93/948825293.db2.gz SUAXENNUTKJALO-WDEREUQCSA-N 0 1 378.387 1.272 20 0 GDADMN CC(C)[C@@H](F)C(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574081286 948829598 /nfs/dbraw/zinc/82/95/98/948829598.db2.gz RSMXFBFMWXPZNP-CQSZACIVSA-N 0 1 376.440 1.374 20 0 GDADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001574918132 948835579 /nfs/dbraw/zinc/83/55/79/948835579.db2.gz GDRQCQGDPBXOMH-AWEZNQCLSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001574918132 948835595 /nfs/dbraw/zinc/83/55/95/948835595.db2.gz GDRQCQGDPBXOMH-AWEZNQCLSA-N 0 1 387.492 1.087 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cn(C)cn1 ZINC001574684192 948857971 /nfs/dbraw/zinc/85/79/71/948857971.db2.gz CALHAKQWTPWPGH-ZETCQYMHSA-N 0 1 381.853 1.331 20 0 GDADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1CC1(F)F ZINC001574684549 948871258 /nfs/dbraw/zinc/87/12/58/948871258.db2.gz ICEQYJOAZUIZRS-NTSWFWBYSA-N 0 1 377.808 1.939 20 0 GDADMN C[C@@H](CNC(=O)CCc1cscn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920005 948879930 /nfs/dbraw/zinc/87/99/30/948879930.db2.gz ABTGFHARMNNBBM-NSHDSACASA-N 0 1 389.460 1.689 20 0 GDADMN C[C@@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574920440 948900884 /nfs/dbraw/zinc/90/08/84/948900884.db2.gz LIUWRGRCGGMZAZ-JTQLQIEISA-N 0 1 377.499 1.612 20 0 GDADMN C[C@@H](CNC(=O)CCc1cscn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574920440 948900895 /nfs/dbraw/zinc/90/08/95/948900895.db2.gz LIUWRGRCGGMZAZ-JTQLQIEISA-N 0 1 377.499 1.612 20 0 GDADMN CC(C)(C(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001573765384 948904958 /nfs/dbraw/zinc/90/49/58/948904958.db2.gz BCFUFJMKAGZCIX-AWEZNQCLSA-N 0 1 385.472 1.149 20 0 GDADMN CC(C)(C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573765567 948915823 /nfs/dbraw/zinc/91/58/23/948915823.db2.gz OFTNMVPBEMVUNK-AWEZNQCLSA-N 0 1 385.472 1.149 20 0 GDADMN CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1 ZINC001575235479 948920080 /nfs/dbraw/zinc/92/00/80/948920080.db2.gz VSTLMTXNPRMREX-GRYCIOLGSA-N 0 1 392.414 1.423 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001573771114 948935762 /nfs/dbraw/zinc/93/57/62/948935762.db2.gz CDYDJBPBWOIFQG-UBHSHLNASA-N 0 1 382.472 1.566 20 0 GDADMN CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574432855 948942676 /nfs/dbraw/zinc/94/26/76/948942676.db2.gz GALYFLXTQYTPDR-PHIMTYICSA-N 0 1 384.469 1.636 20 0 GDADMN CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)[NH+]1CCCC1 ZINC001573772558 948960837 /nfs/dbraw/zinc/96/08/37/948960837.db2.gz UVWUJDRGONDNFE-INIZCTEOSA-N 0 1 384.488 1.443 20 0 GDADMN CC(C)(C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C1CCC1 ZINC001573772743 948964377 /nfs/dbraw/zinc/96/43/77/948964377.db2.gz DBJIZIJIGBQLOF-AWEZNQCLSA-N 0 1 390.463 1.399 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574925994 948980813 /nfs/dbraw/zinc/98/08/13/948980813.db2.gz FYEHLCLLBDVVEX-SECBINFHSA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)[N@H+](C)CC(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574925994 948980824 /nfs/dbraw/zinc/98/08/24/948980824.db2.gz FYEHLCLLBDVVEX-SECBINFHSA-N 0 1 386.913 1.481 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573773469 948987361 /nfs/dbraw/zinc/98/73/61/948987361.db2.gz CCQWLTNRADXBFC-UHFFFAOYSA-N 0 1 378.440 1.117 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1ccccc1 ZINC001573774314 949009446 /nfs/dbraw/zinc/00/94/46/949009446.db2.gz MLALGOFXLJHZEK-UHFFFAOYSA-N 0 1 392.467 1.507 20 0 GDADMN CC(C)[C@@H]1C[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001574091338 949011613 /nfs/dbraw/zinc/01/16/13/949011613.db2.gz KELBIMSIAITRLU-HIFRSBDPSA-N 0 1 392.529 1.927 20 0 GDADMN CC(C)[C@@H]1C[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001574091338 949011628 /nfs/dbraw/zinc/01/16/28/949011628.db2.gz KELBIMSIAITRLU-HIFRSBDPSA-N 0 1 392.529 1.927 20 0 GDADMN CC(C)[C@@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001574091340 949012989 /nfs/dbraw/zinc/01/29/89/949012989.db2.gz KELBIMSIAITRLU-ZFWWWQNUSA-N 0 1 392.529 1.927 20 0 GDADMN CC(C)[C@@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001574091340 949013003 /nfs/dbraw/zinc/01/30/03/949013003.db2.gz KELBIMSIAITRLU-ZFWWWQNUSA-N 0 1 392.529 1.927 20 0 GDADMN C[C@@H](CNC(=O)CN1CCc2ccccc21)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574929005 949072455 /nfs/dbraw/zinc/07/24/55/949072455.db2.gz VIUVCEUCLWPTDK-AWEZNQCLSA-N 0 1 392.467 1.265 20 0 GDADMN CC(C)(C(=O)NCCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573781395 949103052 /nfs/dbraw/zinc/10/30/52/949103052.db2.gz FPEZKZPARULYKF-UHFFFAOYSA-N 0 1 384.488 1.816 20 0 GDADMN CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574443301 949107782 /nfs/dbraw/zinc/10/77/82/949107782.db2.gz XBIKUSLHRUYHHG-GFCCVEGCSA-N 0 1 382.428 1.512 20 0 GDADMN C[C@@H](CNC(=O)COCc1ccncc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574930790 949109402 /nfs/dbraw/zinc/10/94/02/949109402.db2.gz MONKSZYFOHAOTP-LBPRGKRZSA-N 0 1 387.469 1.134 20 0 GDADMN C[C@@H](CNC(=O)COCc1ccncc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574930790 949109394 /nfs/dbraw/zinc/10/93/94/949109394.db2.gz MONKSZYFOHAOTP-LBPRGKRZSA-N 0 1 387.469 1.134 20 0 GDADMN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001602792861 971551800 /nfs/dbraw/zinc/55/18/00/971551800.db2.gz MNXWOACWXUQYIF-BZUAXINKSA-N 0 1 376.453 1.908 20 0 GDADMN CC(C)c1ocnc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446944 949146773 /nfs/dbraw/zinc/14/67/73/949146773.db2.gz BXMUFALSWPNGPD-NSHDSACASA-N 0 1 383.416 1.024 20 0 GDADMN C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602795042 971555120 /nfs/dbraw/zinc/55/51/20/971555120.db2.gz BEAODCUJQYCASF-GDLVEWKHSA-N 0 1 383.242 1.809 20 0 GDADMN C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575252218 949155495 /nfs/dbraw/zinc/15/54/95/949155495.db2.gz PKZNYDXLYCMQAU-QWHCGFSZSA-N 0 1 380.456 1.362 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574698347 949186109 /nfs/dbraw/zinc/18/61/09/949186109.db2.gz JKJWTXYESKMDFC-BBRMVZONSA-N 0 1 383.431 1.523 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698937 949216723 /nfs/dbraw/zinc/21/67/23/949216723.db2.gz QERSJCDNHWINLZ-RYUDHWBXSA-N 0 1 378.502 1.680 20 0 GDADMN C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698937 949216737 /nfs/dbraw/zinc/21/67/37/949216737.db2.gz QERSJCDNHWINLZ-RYUDHWBXSA-N 0 1 378.502 1.680 20 0 GDADMN C[C@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574937788 949230712 /nfs/dbraw/zinc/23/07/12/949230712.db2.gz QPIZGMNGQVYWLD-SNVBAGLBSA-N 0 1 387.469 1.631 20 0 GDADMN C[C@H](CNC(=O)Cc1cc(C2CC2)no1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574937788 949230736 /nfs/dbraw/zinc/23/07/36/949230736.db2.gz QPIZGMNGQVYWLD-SNVBAGLBSA-N 0 1 387.469 1.631 20 0 GDADMN CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574103213 949231505 /nfs/dbraw/zinc/23/15/05/949231505.db2.gz NMDDRGDEIVUDLU-HNNXBMFYSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@@]1(c2cccc(NC(=O)c3ccc(-c4nn[nH]n4)c(O)c3)c2)COC(=O)N1 ZINC001575857100 949259405 /nfs/dbraw/zinc/25/94/05/949259405.db2.gz NAGJBDPRDSETBV-SFHVURJKSA-N 0 1 380.364 1.780 20 0 GDADMN CC(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574105435 949262852 /nfs/dbraw/zinc/26/28/52/949262852.db2.gz BAQJWTCPCRKRHY-HUUCEWRRSA-N 0 1 384.488 1.910 20 0 GDADMN C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574940937 949282203 /nfs/dbraw/zinc/28/22/03/949282203.db2.gz MORCZAMJOOCHQB-CYBMUJFWSA-N 0 1 377.452 1.720 20 0 GDADMN CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573793129 949288841 /nfs/dbraw/zinc/28/88/41/949288841.db2.gz MDNSVMVIGJENRO-LLVKDONJSA-N 0 1 376.486 1.624 20 0 GDADMN CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573793129 949288860 /nfs/dbraw/zinc/28/88/60/949288860.db2.gz MDNSVMVIGJENRO-LLVKDONJSA-N 0 1 376.486 1.624 20 0 GDADMN CC(C)CC(=O)N1CCC[C@@](CO)(NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001574109269 949314932 /nfs/dbraw/zinc/31/49/32/949314932.db2.gz WJLIFEHOROOKCX-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN CC(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574109734 949324451 /nfs/dbraw/zinc/32/44/51/949324451.db2.gz BPYRFHHZFIHIKD-DGCLKSJQSA-N 0 1 383.378 1.531 20 0 GDADMN C[C@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575260058 949343333 /nfs/dbraw/zinc/34/33/33/949343333.db2.gz TZRIQPMQUDWNQD-YUMQZZPRSA-N 0 1 383.865 1.628 20 0 GDADMN CC(C)(C)C(=O)N1CCCC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001573797044 949350897 /nfs/dbraw/zinc/35/08/97/949350897.db2.gz YXOGILIVPJZZIL-LJQANCHMSA-N 0 1 384.488 1.912 20 0 GDADMN C[C@@H](CNC(=O)Cc1cncs1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574945554 949413987 /nfs/dbraw/zinc/41/39/87/949413987.db2.gz MFFNLHPFHXEIHI-NSHDSACASA-N 0 1 389.460 1.642 20 0 GDADMN CC(C)n1cnc(C(=O)N(C)CCCN(C)c2ccncc2-c2nn[nH]n2)c1 ZINC001574465008 949424402 /nfs/dbraw/zinc/42/44/02/949424402.db2.gz SNXUZKNAHIRLSY-UHFFFAOYSA-N 0 1 383.460 1.638 20 0 GDADMN C[C@H](NC(=O)[C@@H]1CCCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264392 949424349 /nfs/dbraw/zinc/42/43/49/949424349.db2.gz NYTFRCKWBCCMMF-FZMZJTMJSA-N 0 1 376.486 1.434 20 0 GDADMN CC(C)n1cnc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC001574465011 949426553 /nfs/dbraw/zinc/42/65/53/949426553.db2.gz SPWKJDWVXHCLLP-MRXNPFEDSA-N 0 1 380.456 1.648 20 0 GDADMN CC(C)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O ZINC001574116581 949429876 /nfs/dbraw/zinc/42/98/76/949429876.db2.gz ARIOQPKHVYVMPE-RKDXNWHRSA-N 0 1 385.881 1.079 20 0 GDADMN CC(C)n1cccc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574465184 949433892 /nfs/dbraw/zinc/43/38/92/949433892.db2.gz RUWUNQYEXUCURO-GFCCVEGCSA-N 0 1 389.485 1.191 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[NH+](C)C ZINC001576156385 949441809 /nfs/dbraw/zinc/44/18/09/949441809.db2.gz MNXINCLLHZKMFG-SCLBCKFNSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[NH+](C)C ZINC001576156385 949441829 /nfs/dbraw/zinc/44/18/29/949441829.db2.gz MNXINCLLHZKMFG-SCLBCKFNSA-N 0 1 387.492 1.085 20 0 GDADMN CC(C)n1ncc(C(=O)NCCN(C)c2ccncc2-c2nn[nH]n2)c1Cl ZINC001574468030 949451439 /nfs/dbraw/zinc/45/14/39/949451439.db2.gz FGENUFIIHFOUTB-UHFFFAOYSA-N 0 1 389.851 1.559 20 0 GDADMN CC1(C(=O)N2CCC([C@H]3CCCN3c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575535618 949455260 /nfs/dbraw/zinc/45/52/60/949455260.db2.gz ZLRCFRZDMHSIMK-CQSZACIVSA-N 0 1 382.472 1.664 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575266100 949466497 /nfs/dbraw/zinc/46/64/97/949466497.db2.gz XDQKHTYYHMWWSE-STQMWFEESA-N 0 1 387.492 1.082 20 0 GDADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575266100 949466513 /nfs/dbraw/zinc/46/65/13/949466513.db2.gz XDQKHTYYHMWWSE-STQMWFEESA-N 0 1 387.492 1.082 20 0 GDADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157073 949474101 /nfs/dbraw/zinc/47/41/01/949474101.db2.gz PEJQCXGCMLVGBK-SGTLLEGYSA-N 0 1 381.444 1.198 20 0 GDADMN CC(C)(C)C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573806215 949485595 /nfs/dbraw/zinc/48/55/95/949485595.db2.gz LLAODMUFJDBEMI-UHFFFAOYSA-N 0 1 392.467 1.882 20 0 GDADMN C[C@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnco1 ZINC001576158512 949499588 /nfs/dbraw/zinc/49/95/88/949499588.db2.gz TXMJPAOOTNCTOT-KPZWWZAWSA-N 0 1 382.428 1.462 20 0 GDADMN CC(C)n1nccc1C(=O)NCCN(C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574470725 949508889 /nfs/dbraw/zinc/50/88/89/949508889.db2.gz SWRUVDHVNBTEAM-UHFFFAOYSA-N 0 1 386.435 1.645 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[NH+](C)C ZINC001576159003 949512036 /nfs/dbraw/zinc/51/20/36/949512036.db2.gz VRZRLFAIPCUAPE-ACJLOTCBSA-N 0 1 387.492 1.085 20 0 GDADMN C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[NH+](C)C ZINC001576159003 949512051 /nfs/dbraw/zinc/51/20/51/949512051.db2.gz VRZRLFAIPCUAPE-ACJLOTCBSA-N 0 1 387.492 1.085 20 0 GDADMN CC1(C(=O)N2CCC[C@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)CCCC1 ZINC001575538122 949514509 /nfs/dbraw/zinc/51/45/09/949514509.db2.gz CNXMSZNCLANWHY-IBGZPJMESA-N 0 1 385.472 1.029 20 0 GDADMN C[C@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575871855 949525633 /nfs/dbraw/zinc/52/56/33/949525633.db2.gz CNTPTQWXBKDAHS-BLLLJJGKSA-N 0 1 390.463 1.636 20 0 GDADMN CC1(C(=O)N2CCC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575538698 949527993 /nfs/dbraw/zinc/52/79/93/949527993.db2.gz JAUHBRNVSVBKQY-CQSZACIVSA-N 0 1 384.488 1.700 20 0 GDADMN C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270715 949599901 /nfs/dbraw/zinc/59/99/01/949599901.db2.gz FNKLUWOMOHXDRG-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270715 949599920 /nfs/dbraw/zinc/59/99/20/949599920.db2.gz FNKLUWOMOHXDRG-KBPBESRZSA-N 0 1 387.492 1.228 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575270754 949601965 /nfs/dbraw/zinc/60/19/65/949601965.db2.gz GAKVBHGCZGEVJS-RKDXNWHRSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575270754 949601978 /nfs/dbraw/zinc/60/19/78/949601978.db2.gz GAKVBHGCZGEVJS-RKDXNWHRSA-N 0 1 386.913 1.624 20 0 GDADMN C[C@@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001576167230 949603587 /nfs/dbraw/zinc/60/35/87/949603587.db2.gz BGIVOEVCNQRSBR-CABCVRRESA-N 0 1 387.488 1.133 20 0 GDADMN CC1(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575546446 949608120 /nfs/dbraw/zinc/60/81/20/949608120.db2.gz QGHPZNYSTDQYEH-ZIAGYGMSSA-N 0 1 382.472 1.807 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCCc1ccsc1 ZINC001575271652 949624680 /nfs/dbraw/zinc/62/46/80/949624680.db2.gz LQXPCBYBVZVLKJ-NEPJUHHUSA-N 0 1 386.485 1.468 20 0 GDADMN C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575547494 949624794 /nfs/dbraw/zinc/62/47/94/949624794.db2.gz XMSKPGARGBLWPR-AUUYWEPGSA-N 0 1 385.472 1.293 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575877466 949667205 /nfs/dbraw/zinc/66/72/05/949667205.db2.gz ZUTAFIXJFHDINS-WBMJQRKESA-N 0 1 390.463 1.636 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716061 949678326 /nfs/dbraw/zinc/67/83/26/949678326.db2.gz IAANNJVMBZPDEH-KGLIPLIRSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716063 949680067 /nfs/dbraw/zinc/68/00/67/949680067.db2.gz IAANNJVMBZPDEH-ZIAGYGMSSA-N 0 1 390.463 1.759 20 0 GDADMN C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575276164 949711882 /nfs/dbraw/zinc/71/18/82/949711882.db2.gz HGIZUSJLLRDELQ-NWDGAFQWSA-N 0 1 384.419 1.156 20 0 GDADMN C[C@H](NC(=O)CCc1cn[nH]c1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575277364 949751932 /nfs/dbraw/zinc/75/19/32/949751932.db2.gz QDOABDBWDPKXMN-ZDUSSCGKSA-N 0 1 380.456 1.159 20 0 GDADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C=Cc1ccc[nH]1 ZINC001573819321 949753234 /nfs/dbraw/zinc/75/32/34/949753234.db2.gz SYRQXZPOAUAHOL-FYCOFBDGSA-N 0 1 380.456 1.668 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171495 949769304 /nfs/dbraw/zinc/76/93/04/949769304.db2.gz RGBKYKVZVFKQPC-ZFWWWQNUSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171495 949769314 /nfs/dbraw/zinc/76/93/14/949769314.db2.gz RGBKYKVZVFKQPC-ZFWWWQNUSA-N 0 1 387.492 1.038 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718333 949776430 /nfs/dbraw/zinc/77/64/30/949776430.db2.gz ZYKUYZMNOWKAEF-DIFFPNOSSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718333 949776445 /nfs/dbraw/zinc/77/64/45/949776445.db2.gz ZYKUYZMNOWKAEF-DIFFPNOSSA-N 0 1 378.502 1.416 20 0 GDADMN C[C@@H](CN(C)C(=O)CC1OCCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718572 949785684 /nfs/dbraw/zinc/78/56/84/949785684.db2.gz ZIOGVUUFSZNHJL-NSHDSACASA-N 0 1 380.474 1.018 20 0 GDADMN C[C@@H](CN(C)C(=O)CC1OCCCO1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718572 949785694 /nfs/dbraw/zinc/78/56/94/949785694.db2.gz ZIOGVUUFSZNHJL-NSHDSACASA-N 0 1 380.474 1.018 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172292 949795334 /nfs/dbraw/zinc/79/53/34/949795334.db2.gz WCCDZBHELSTOFI-UONOGXRCSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172292 949795340 /nfs/dbraw/zinc/79/53/40/949795340.db2.gz WCCDZBHELSTOFI-UONOGXRCSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172292 949795349 /nfs/dbraw/zinc/79/53/49/949795349.db2.gz WCCDZBHELSTOFI-UONOGXRCSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172292 949795359 /nfs/dbraw/zinc/79/53/59/949795359.db2.gz WCCDZBHELSTOFI-UONOGXRCSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)C[C@H](C)CN1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574139009 949804787 /nfs/dbraw/zinc/80/47/87/949804787.db2.gz HJMDEFQRMIEXAD-DZGCQCFKSA-N 0 1 375.477 1.308 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574481887 949807738 /nfs/dbraw/zinc/80/77/38/949807738.db2.gz XDCOTENDSUCZAS-KGLIPLIRSA-N 0 1 384.488 1.555 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178613 949893244 /nfs/dbraw/zinc/89/32/44/949893244.db2.gz CGNBCWANEVMJPM-ABAIWWIYSA-N 0 1 384.469 1.493 20 0 GDADMN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574484645 949895423 /nfs/dbraw/zinc/89/54/23/949895423.db2.gz LFHOKGUOOAPSEY-NXEZZACHSA-N 0 1 384.366 1.070 20 0 GDADMN O=C([O-])[C@H]1CCC[N@H+]1CCOC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001595277115 949931953 /nfs/dbraw/zinc/93/19/53/949931953.db2.gz VMKFHXFAXCDGOT-SMDDNHRTSA-N 0 1 382.363 1.410 20 0 GDADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC001589672464 949948150 /nfs/dbraw/zinc/94/81/50/949948150.db2.gz MLOQFVZPHBTKKS-MRXNPFEDSA-N 0 1 382.482 1.242 20 0 GDADMN CC1(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)CCCC1 ZINC001575571207 949953825 /nfs/dbraw/zinc/95/38/25/949953825.db2.gz YTNAAIJBKVSYSA-DLBZAZTESA-N 0 1 384.484 1.498 20 0 GDADMN C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181696 950019746 /nfs/dbraw/zinc/01/97/46/950019746.db2.gz JDPXVEJIAAEPOT-GXTWGEPZSA-N 0 1 384.488 1.411 20 0 GDADMN C[C@@H]1CCN(C(=O)CCCC2CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182037 950032196 /nfs/dbraw/zinc/03/21/96/950032196.db2.gz KQCIYSWXUSWTFF-HIFRSBDPSA-N 0 1 384.488 1.555 20 0 GDADMN CC(C)(C)CC(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573835050 950034165 /nfs/dbraw/zinc/03/41/65/950034165.db2.gz MXULNBUZGDAJMW-HXUWFJFHSA-N 0 1 386.500 1.746 20 0 GDADMN C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891875 950040570 /nfs/dbraw/zinc/04/05/70/950040570.db2.gz ORVMYONGJADNEV-RISCZKNCSA-N 0 1 382.403 1.583 20 0 GDADMN C[C@@H](CNS(=O)(=O)c1cc(F)cc(-c2nn[nH]n2)c1)N1CCC[C@@H](C)C1 ZINC001576182397 950050374 /nfs/dbraw/zinc/05/03/74/950050374.db2.gz ZIUAFSCOPYRUKL-NEPJUHHUSA-N 0 1 382.465 1.405 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H](O)C(C)C ZINC001574151061 950056826 /nfs/dbraw/zinc/05/68/26/950056826.db2.gz KGBUMGVCTBBBAG-SWLSCSKDSA-N 0 1 380.518 1.566 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H](O)C(C)C ZINC001574151061 950056847 /nfs/dbraw/zinc/05/68/47/950056847.db2.gz KGBUMGVCTBBBAG-SWLSCSKDSA-N 0 1 380.518 1.566 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccccc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182767 950065076 /nfs/dbraw/zinc/06/50/76/950065076.db2.gz PGRLRMHXNPQRKG-HIFRSBDPSA-N 0 1 378.440 1.431 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1cnns1 ZINC001576182833 950066658 /nfs/dbraw/zinc/06/66/58/950066658.db2.gz POZATLBZAFDQLW-YGRLFVJLSA-N 0 1 387.473 1.077 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnsn1 ZINC001574151298 950068528 /nfs/dbraw/zinc/06/85/28/950068528.db2.gz OWIHVHJDUFNTBN-JTQLQIEISA-N 0 1 392.514 1.714 20 0 GDADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnsn1 ZINC001574151298 950068550 /nfs/dbraw/zinc/06/85/50/950068550.db2.gz OWIHVHJDUFNTBN-JTQLQIEISA-N 0 1 392.514 1.714 20 0 GDADMN C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183661 950098366 /nfs/dbraw/zinc/09/83/66/950098366.db2.gz RDCZXBWBZAGXRO-UKRRQHHQSA-N 0 1 385.472 1.007 20 0 GDADMN C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184145 950119614 /nfs/dbraw/zinc/11/96/14/950119614.db2.gz UOOUMTDXEPKWMW-UONOGXRCSA-N 0 1 387.463 1.720 20 0 GDADMN CN1C(=O)c2ccc(NC(=O)C[N@@H+]3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc2C1=O ZINC000262560851 950140956 /nfs/dbraw/zinc/14/09/56/950140956.db2.gz WFIMDXMDLHWYNG-RLCCDNCMSA-N 0 1 385.420 1.569 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576185019 950150311 /nfs/dbraw/zinc/15/03/11/950150311.db2.gz YSXFPGMIXYVILX-BXUZGUMPSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576185019 950150330 /nfs/dbraw/zinc/15/03/30/950150330.db2.gz YSXFPGMIXYVILX-BXUZGUMPSA-N 0 1 387.469 1.947 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)[C@@H]1CCCCN1C ZINC001574153919 950156824 /nfs/dbraw/zinc/15/68/24/950156824.db2.gz XWMJAGBRCOZWFE-HOTGVXAUSA-N 0 1 386.504 1.689 20 0 GDADMN C[C@H](CC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCCO1 ZINC001574494495 950165314 /nfs/dbraw/zinc/16/53/14/950165314.db2.gz ZRYRGRSSGUHMPQ-CXAGYDPISA-N 0 1 385.472 1.552 20 0 GDADMN CC1(C(=O)NC[C@@H]2[C@H]3CN(c4nc(-c5nn[nH]n5)c(Cl)s4)C[C@H]32)CC1 ZINC001575584366 950166606 /nfs/dbraw/zinc/16/66/06/950166606.db2.gz QBFZXMJXNCWDJO-PSVAKVPMSA-N 0 1 379.877 1.575 20 0 GDADMN C[C@@H](CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)C(F)(F)F ZINC001574494588 950169859 /nfs/dbraw/zinc/16/98/59/950169859.db2.gz LQKGPVDVIJFHOQ-ZANVPECISA-N 0 1 383.378 1.579 20 0 GDADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574154288 950171289 /nfs/dbraw/zinc/17/12/89/950171289.db2.gz CTEHIIXDULYNQG-WDEREUQCSA-N 0 1 382.419 1.313 20 0 GDADMN C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574494663 950172227 /nfs/dbraw/zinc/17/22/27/950172227.db2.gz MLHFMHOQRRRXTE-UONOGXRCSA-N 0 1 380.456 1.791 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOC1 ZINC001575584972 950183711 /nfs/dbraw/zinc/18/37/11/950183711.db2.gz UPRMDOPIQBOZJW-LIRRHRJNSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573845750 950241190 /nfs/dbraw/zinc/24/11/90/950241190.db2.gz KOVHUSWKSWHZOG-SGMGOOAPSA-N 0 1 392.529 1.567 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCCOC1 ZINC001574157523 950243053 /nfs/dbraw/zinc/24/30/53/950243053.db2.gz CGXYWBMOLSOZAU-CABCVRRESA-N 0 1 387.488 1.443 20 0 GDADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574158039 950269292 /nfs/dbraw/zinc/26/92/92/950269292.db2.gz NDIGEAIXLZGZGP-HUUCEWRRSA-N 0 1 382.472 1.689 20 0 GDADMN CC(=O)NCC[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)[C@H](C)C(=O)[O-] ZINC000263111832 950273147 /nfs/dbraw/zinc/27/31/47/950273147.db2.gz BUDHBIIJJQIFMW-RDTXWAMCSA-N 0 1 375.469 1.482 20 0 GDADMN C[C@@]1(C(=O)NCCC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)C=CCC1 ZINC001575592225 950283948 /nfs/dbraw/zinc/28/39/48/950283948.db2.gz DNVWNKKQBBOKKU-AUUYWEPGSA-N 0 1 382.472 1.878 20 0 GDADMN CC(C)(C)OC(=O)N1CCC(CO)([NH2+]Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573851924 950299104 /nfs/dbraw/zinc/29/91/04/950299104.db2.gz ATGLMUIDYVBEQN-UHFFFAOYSA-N 0 1 378.433 1.311 20 0 GDADMN C[C@@H](CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574500376 950315329 /nfs/dbraw/zinc/31/53/29/950315329.db2.gz ZVTMOYPPNKTTEF-SGTLLEGYSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001574500376 950315353 /nfs/dbraw/zinc/31/53/53/950315353.db2.gz ZVTMOYPPNKTTEF-SGTLLEGYSA-N 0 1 390.513 1.417 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001574500363 950316103 /nfs/dbraw/zinc/31/61/03/950316103.db2.gz ZUSJLZDWEUDYLI-RYUDHWBXSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001574500363 950316124 /nfs/dbraw/zinc/31/61/24/950316124.db2.gz ZUSJLZDWEUDYLI-RYUDHWBXSA-N 0 1 390.469 1.282 20 0 GDADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)c1ncccc1[O-] ZINC001575907152 950325874 /nfs/dbraw/zinc/32/58/74/950325874.db2.gz LWYVFZSJKFYEOB-CMPLNLGQSA-N 0 1 385.453 1.422 20 0 GDADMN C[C@@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576194208 950331449 /nfs/dbraw/zinc/33/14/49/950331449.db2.gz XPFKZDWGXSMBMF-VXGBXAGGSA-N 0 1 384.469 1.350 20 0 GDADMN CC(C)(C)OC(=O)N1CCC[C@](CO)(NCc2cc(-c3nn[nH]n3)ccn2)C1 ZINC001573853723 950334135 /nfs/dbraw/zinc/33/41/35/950334135.db2.gz UQNLVSIMWVGYRM-SFHVURJKSA-N 0 1 389.460 1.113 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)n1ccnc1 ZINC001574501482 950339000 /nfs/dbraw/zinc/33/90/00/950339000.db2.gz DRMXZHBVCXHTAW-RHSMWYFYSA-N 0 1 380.456 1.405 20 0 GDADMN CC1(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)s3)CCCO2)CC1 ZINC001575595216 950352377 /nfs/dbraw/zinc/35/23/77/950352377.db2.gz NPMRFABKSADMSM-GFCCVEGCSA-N 0 1 376.486 1.435 20 0 GDADMN CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001576196931 950379897 /nfs/dbraw/zinc/37/98/97/950379897.db2.gz JJEGACYITVMXNU-MRXNPFEDSA-N 0 1 384.488 1.031 20 0 GDADMN C[C@@H]1CC[N@H+](CC(=O)NC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001576204101 950453331 /nfs/dbraw/zinc/45/33/31/950453331.db2.gz LPBVIRNIXXIWPZ-CYBMUJFWSA-N 0 1 387.463 1.433 20 0 GDADMN C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001576204101 950453341 /nfs/dbraw/zinc/45/33/41/950453341.db2.gz LPBVIRNIXXIWPZ-CYBMUJFWSA-N 0 1 387.463 1.433 20 0 GDADMN CC(C)CC1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001574166135 950459040 /nfs/dbraw/zinc/45/90/40/950459040.db2.gz NLOSFFUDYZTOHD-CQSZACIVSA-N 0 1 384.488 1.816 20 0 GDADMN C[C@H](CC(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001574508868 950486631 /nfs/dbraw/zinc/48/66/31/950486631.db2.gz PRMMUAYMOVVDDZ-NEPJUHHUSA-N 0 1 384.419 1.328 20 0 GDADMN CC(C)(C)OC(=O)c1cc(NC(=O)COc2ccccc2-c2nn[nH]n2)n[nH]1 ZINC001573863896 950487927 /nfs/dbraw/zinc/48/79/27/950487927.db2.gz RJBQPYGGQNXJJX-UHFFFAOYSA-N 0 1 385.384 1.563 20 0 GDADMN C[C@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574752556 950492029 /nfs/dbraw/zinc/49/20/29/950492029.db2.gz YBVCJYBEGWEAIH-GFCCVEGCSA-N 0 1 381.440 1.728 20 0 GDADMN CCN(CCC[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)CC(F)(F)F ZINC001589730837 950507349 /nfs/dbraw/zinc/50/73/49/950507349.db2.gz WYDNPTNTFGPWRT-UYJPIKCFSA-N 0 1 380.407 1.847 20 0 GDADMN C[C@H](C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205464 950518133 /nfs/dbraw/zinc/51/81/33/950518133.db2.gz YVPWVZOCGFVYAP-UONOGXRCSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@@H](C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576205460 950519194 /nfs/dbraw/zinc/51/91/94/950519194.db2.gz YVPWVZOCGFVYAP-KBPBESRZSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576205462 950520850 /nfs/dbraw/zinc/52/08/50/950520850.db2.gz YVPWVZOCGFVYAP-KGLIPLIRSA-N 0 1 387.492 1.084 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCc2ccccc21 ZINC001575609237 950524051 /nfs/dbraw/zinc/52/40/51/950524051.db2.gz WUPIHFBBDFNOIZ-LRAJWGHMSA-N 0 1 389.463 1.647 20 0 GDADMN CC(C)CCC(=O)N1C[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C1 ZINC001574170040 950530532 /nfs/dbraw/zinc/53/05/32/950530532.db2.gz DPHJKNTZSKCHFE-ZNMIVQPWSA-N 0 1 384.488 1.554 20 0 GDADMN CC(C)(C)OCC(=O)NC1CC2(C1)CC(Nc1ccncc1-c1nn[nH]n1)C2 ZINC001573868325 950538729 /nfs/dbraw/zinc/53/87/29/950538729.db2.gz BDQUCZIMKGCXKV-UHFFFAOYSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@H](CNC(=O)CN1CCC(C)CC1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001576206628 950575778 /nfs/dbraw/zinc/57/57/78/950575778.db2.gz YLFSOMKAYLKQQI-CYBMUJFWSA-N 0 1 390.467 1.297 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(Cl)cc1 ZINC001575918414 950590231 /nfs/dbraw/zinc/59/02/31/950590231.db2.gz BSZCIIOZQCDFMJ-MFKMUULPSA-N 0 1 384.831 1.447 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575000067 950592616 /nfs/dbraw/zinc/59/26/16/950592616.db2.gz AEXAPDXQHYVLTK-VIFPVBQESA-N 0 1 392.826 1.301 20 0 GDADMN CC(C)(C)OCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCCC1 ZINC001573871604 950621872 /nfs/dbraw/zinc/62/18/72/950621872.db2.gz SYBRZDJKAXAUPF-UHFFFAOYSA-N 0 1 387.488 1.730 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575919846 950624229 /nfs/dbraw/zinc/62/42/29/950624229.db2.gz KNMRDCMFSGRLNO-UKRRQHHQSA-N 0 1 378.440 1.113 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573873658 950652522 /nfs/dbraw/zinc/65/25/22/950652522.db2.gz WVWVDJGTFBBBTK-HAQNSBGRSA-N 0 1 378.502 1.728 20 0 GDADMN CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573873658 950652529 /nfs/dbraw/zinc/65/25/29/950652529.db2.gz WVWVDJGTFBBBTK-HAQNSBGRSA-N 0 1 378.502 1.728 20 0 GDADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924335 950670405 /nfs/dbraw/zinc/67/04/05/950670405.db2.gz FFEQIGAUXAESRQ-MEBBXXQBSA-N 0 1 385.378 1.677 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925203 950679026 /nfs/dbraw/zinc/67/90/26/950679026.db2.gz GPASDOHIRFTCKB-FZMZJTMJSA-N 0 1 391.439 1.066 20 0 GDADMN C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575005539 950689794 /nfs/dbraw/zinc/68/97/94/950689794.db2.gz HMYDRGXEJWAUBD-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC1 ZINC001574519999 950707484 /nfs/dbraw/zinc/70/74/84/950707484.db2.gz ZIGBJEBLGIEQOW-MYRBDLLGSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21)C1CC1 ZINC001574519998 950710001 /nfs/dbraw/zinc/71/00/01/950710001.db2.gz ZIGBJEBLGIEQOW-GLCQIGPWSA-N 0 1 384.459 1.988 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575926827 950723278 /nfs/dbraw/zinc/72/32/78/950723278.db2.gz MDGXSRHADFYNRW-GWCFXTLKSA-N 0 1 386.847 1.391 20 0 GDADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001573879882 950733128 /nfs/dbraw/zinc/73/31/28/950733128.db2.gz NDNPSHYZGDWZFG-VQHPVUNQSA-N 0 1 384.484 1.210 20 0 GDADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575928034 950767316 /nfs/dbraw/zinc/76/73/16/950767316.db2.gz XUKPFEIASBLHBA-LRDDRELGSA-N 0 1 391.435 1.334 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1ccon1 ZINC001574521078 950768277 /nfs/dbraw/zinc/76/82/77/950768277.db2.gz CWSRLKCQNGNLNI-QWRGUYRKSA-N 0 1 375.458 1.532 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cc1ccon1 ZINC001574521078 950768285 /nfs/dbraw/zinc/76/82/85/950768285.db2.gz CWSRLKCQNGNLNI-QWRGUYRKSA-N 0 1 375.458 1.532 20 0 GDADMN C[C@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1ccncc1-c1nn[nH]n1 ZINC001574765203 950777730 /nfs/dbraw/zinc/77/77/30/950777730.db2.gz GOVKHEYWFRSUKH-MRVPVSSYSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575931597 950809857 /nfs/dbraw/zinc/80/98/57/950809857.db2.gz IYWVPIIRNVOGLC-PSASIEDQSA-N 0 1 392.876 1.949 20 0 GDADMN CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574186504 950812558 /nfs/dbraw/zinc/81/25/58/950812558.db2.gz FLXDHHMNDKMAJW-RHSMWYFYSA-N 0 1 387.488 1.538 20 0 GDADMN C[C@@H](CN(C)C(=O)c1n[nH]cc1F)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574767266 950841794 /nfs/dbraw/zinc/84/17/94/950841794.db2.gz OUUUAGLMRNYZBE-YFKPBYRVSA-N 0 1 385.816 1.411 20 0 GDADMN C[C@H](C[C@H](C)NC(=O)CCn1ccnc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574524371 950857441 /nfs/dbraw/zinc/85/74/41/950857441.db2.gz VZDLUJLRNVTDDY-OLZOCXBDSA-N 0 1 388.501 1.588 20 0 GDADMN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC(c2nn[nH]n2)CC1 ZINC001573888184 950865166 /nfs/dbraw/zinc/86/51/66/950865166.db2.gz RGQKDZHKTQEJRH-UHFFFAOYSA-N 0 1 385.436 1.348 20 0 GDADMN CC1(C)C[C@H](NC(=O)CCC2CC2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575639420 950870197 /nfs/dbraw/zinc/87/01/97/950870197.db2.gz BHJAFRAPJZAXDQ-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576225933 950879960 /nfs/dbraw/zinc/87/99/60/950879960.db2.gz ACTFLUMXKWGXPN-ABAIWWIYSA-N 0 1 391.426 1.768 20 0 GDADMN C[C@H](CN(C)C(=O)c1csc(Cl)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574768591 950893328 /nfs/dbraw/zinc/89/33/28/950893328.db2.gz ZPUGWMXIYOEEDR-SECBINFHSA-N 0 1 377.861 1.971 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575641262 950912920 /nfs/dbraw/zinc/91/29/20/950912920.db2.gz CAQFCYJCFMIHIE-ACJLOTCBSA-N 0 1 390.513 1.417 20 0 GDADMN CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575641262 950912939 /nfs/dbraw/zinc/91/29/39/950912939.db2.gz CAQFCYJCFMIHIE-ACJLOTCBSA-N 0 1 390.513 1.417 20 0 GDADMN CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573897322 950962035 /nfs/dbraw/zinc/96/20/35/950962035.db2.gz OJIYVJKUXZSWKK-HNNXBMFYSA-N 0 1 392.467 1.720 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C)CCCCCC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576229541 950975228 /nfs/dbraw/zinc/97/52/28/950975228.db2.gz KEKCQMKJSXLOPZ-KGLIPLIRSA-N 0 1 384.488 1.698 20 0 GDADMN CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001575017110 950976712 /nfs/dbraw/zinc/97/67/12/950976712.db2.gz ADCXOHVSXMXHFB-ZDUSSCGKSA-N 0 1 380.456 1.680 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N[C@H](C)c1cc(F)ccc1F ZINC001575017270 950986361 /nfs/dbraw/zinc/98/63/61/950986361.db2.gz JJKSOXAICTYXHL-NXEZZACHSA-N 0 1 375.383 1.942 20 0 GDADMN CC(C)(CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001573900387 951003647 /nfs/dbraw/zinc/00/36/47/951003647.db2.gz ZJRDULCCDKCCPU-SHTZXODSSA-N 0 1 392.467 1.506 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024290 951100369 /nfs/dbraw/zinc/10/03/69/951100369.db2.gz ZWWRJAABAQIGNE-NSHDSACASA-N 0 1 379.428 1.184 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024540 951106691 /nfs/dbraw/zinc/10/66/91/951106691.db2.gz GUYDKRLMBQSCKZ-ZDUSSCGKSA-N 0 1 390.451 1.871 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575025093 951125439 /nfs/dbraw/zinc/12/54/39/951125439.db2.gz UXNFWGCLWRQXET-GFCCVEGCSA-N 0 1 379.424 1.192 20 0 GDADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025369 951130592 /nfs/dbraw/zinc/13/05/92/951130592.db2.gz YNIFPTZSTDFISH-GFCCVEGCSA-N 0 1 378.440 1.045 20 0 GDADMN C[C@H](CNC(=O)c1cccc(C(F)F)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025832 951133014 /nfs/dbraw/zinc/13/30/14/951133014.db2.gz BQYOAUUZPPEYRA-JTQLQIEISA-N 0 1 388.382 1.494 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@H]2CCO)c(C(=O)[O-])c1C ZINC001591466906 951150590 /nfs/dbraw/zinc/15/05/90/951150590.db2.gz RGZFTERCUCGLTJ-NSHDSACASA-N 0 1 384.454 1.717 20 0 GDADMN CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@H]2CCO)c(C(=O)[O-])c1C ZINC001591466906 951150596 /nfs/dbraw/zinc/15/05/96/951150596.db2.gz RGZFTERCUCGLTJ-NSHDSACASA-N 0 1 384.454 1.717 20 0 GDADMN C[C@@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575028562 951177489 /nfs/dbraw/zinc/17/74/89/951177489.db2.gz OFQKCADUZWIRBG-ZDUSSCGKSA-N 0 1 392.467 1.790 20 0 GDADMN C[C@H](CNC(=O)c1cccn1C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575032203 951218128 /nfs/dbraw/zinc/21/81/28/951218128.db2.gz UARMGXOMXAOYTQ-MRVPVSSYSA-N 0 1 380.865 1.793 20 0 GDADMN O=C([O-])[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc21 ZINC000386036829 951289850 /nfs/dbraw/zinc/28/98/50/951289850.db2.gz CWLDLERPUVNVMO-RDTXWAMCSA-N 0 1 380.400 1.328 20 0 GDADMN C[C@H](CNC(=O)c1cn(C)cn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575042961 951376959 /nfs/dbraw/zinc/37/69/59/951376959.db2.gz NLZFOQJVHMGSRX-SSDOTTSWSA-N 0 1 381.853 1.188 20 0 GDADMN C[C@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043785 951401719 /nfs/dbraw/zinc/40/17/19/951401719.db2.gz VGRSRKSAFAHLJT-SNVBAGLBSA-N 0 1 386.485 1.447 20 0 GDADMN C[C@H](CNC(=O)c1cn(C)nc1C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575043785 951401732 /nfs/dbraw/zinc/40/17/32/951401732.db2.gz VGRSRKSAFAHLJT-SNVBAGLBSA-N 0 1 386.485 1.447 20 0 GDADMN C[C@H](CNC(=O)c1cnc(Cl)n1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575045122 951425904 /nfs/dbraw/zinc/42/59/04/951425904.db2.gz ZNAQARVEMNNZQC-SECBINFHSA-N 0 1 392.826 1.301 20 0 GDADMN CC(C)c1ncncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575046200 951438581 /nfs/dbraw/zinc/43/85/81/951438581.db2.gz LAKIGHYWCWUHQD-LLVKDONJSA-N 0 1 386.485 1.750 20 0 GDADMN CC(C)c1ncncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575046200 951438589 /nfs/dbraw/zinc/43/85/89/951438589.db2.gz LAKIGHYWCWUHQD-LLVKDONJSA-N 0 1 386.485 1.750 20 0 GDADMN C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000394208984 951448617 /nfs/dbraw/zinc/44/86/17/951448617.db2.gz CZLWHBAYLYOULW-QAPCUYQASA-N 0 1 395.525 1.528 20 0 GDADMN C[C@H](CNC(=O)c1cnns1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575053849 951487605 /nfs/dbraw/zinc/48/76/05/951487605.db2.gz FYQTUFBSIPOVEQ-RXMQYKEDSA-N 0 1 385.866 1.306 20 0 GDADMN C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575060772 951546995 /nfs/dbraw/zinc/54/69/95/951546995.db2.gz GISUKMFKFXSPLC-MRVPVSSYSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1ccncc1-c1nn[nH]n1 ZINC001575062088 951565592 /nfs/dbraw/zinc/56/55/92/951565592.db2.gz SUOSDNGHYSCUIW-JTQLQIEISA-N 0 1 386.485 1.668 20 0 GDADMN C[C@H](CNC(=O)c1ncoc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575064879 951578347 /nfs/dbraw/zinc/57/83/47/951578347.db2.gz FANKTIRRIOQGSW-SNVBAGLBSA-N 0 1 385.403 1.779 20 0 GDADMN C[C@@H](CNC(=O)c1ncoc1C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575064877 951579330 /nfs/dbraw/zinc/57/93/30/951579330.db2.gz FANKTIRRIOQGSW-JTQLQIEISA-N 0 1 385.403 1.779 20 0 GDADMN C[C@H](CNCc1cc(O)ccc1Cl)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575082149 951731431 /nfs/dbraw/zinc/73/14/31/951731431.db2.gz UYEACVYGZBPUSH-SNVBAGLBSA-N 0 1 389.847 1.804 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001575090118 951756391 /nfs/dbraw/zinc/75/63/91/951756391.db2.gz JORJEKIIVFSEOV-OFSOMGBPSA-N 0 1 388.447 1.510 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001575090540 951760837 /nfs/dbraw/zinc/76/08/37/951760837.db2.gz LUYWFQSOJVOLJW-ICCXJUOJSA-N 0 1 382.390 1.844 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001575098386 951821738 /nfs/dbraw/zinc/82/17/38/951821738.db2.gz CBLNTSQYTDFYMN-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001575098386 951821751 /nfs/dbraw/zinc/82/17/51/951821751.db2.gz CBLNTSQYTDFYMN-JSGCOSHPSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098148 951822600 /nfs/dbraw/zinc/82/26/00/951822600.db2.gz BMPMACCDVOITOY-OLZOCXBDSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@@H](CNC(=O)[C@H]1CCCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098148 951822604 /nfs/dbraw/zinc/82/26/04/951822604.db2.gz BMPMACCDVOITOY-OLZOCXBDSA-N 0 1 378.502 1.587 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CC1OCCCO1 ZINC001575099255 951829573 /nfs/dbraw/zinc/82/95/73/951829573.db2.gz JKAZFLPPMMQQSB-LLVKDONJSA-N 0 1 380.474 1.018 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CC1OCCCO1 ZINC001575099255 951829582 /nfs/dbraw/zinc/82/95/82/951829582.db2.gz JKAZFLPPMMQQSB-LLVKDONJSA-N 0 1 380.474 1.018 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099615 951837011 /nfs/dbraw/zinc/83/70/11/951837011.db2.gz OBWOZWAXLDVQJF-OCCSQVGLSA-N 0 1 390.513 1.587 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC12CCOCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099615 951837019 /nfs/dbraw/zinc/83/70/19/951837019.db2.gz OBWOZWAXLDVQJF-OCCSQVGLSA-N 0 1 390.513 1.587 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100603 951847108 /nfs/dbraw/zinc/84/71/08/951847108.db2.gz UOSOHTCFURKZDX-LLVKDONJSA-N 0 1 389.460 1.547 20 0 GDADMN C[C@@H](CNC(=O)Cc1ccc(F)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100603 951847114 /nfs/dbraw/zinc/84/71/14/951847114.db2.gz UOSOHTCFURKZDX-LLVKDONJSA-N 0 1 389.460 1.547 20 0 GDADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC1=CCCCC1)C1CC1 ZINC001575133820 952107878 /nfs/dbraw/zinc/10/78/78/952107878.db2.gz GVNPOXGOEHQNAQ-IBGZPJMESA-N 0 1 382.472 1.666 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1ccsc1 ZINC001575142822 952149208 /nfs/dbraw/zinc/14/92/08/952149208.db2.gz MHDOHQBJHCULTK-LBPRGKRZSA-N 0 1 386.485 1.422 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575143098 952149826 /nfs/dbraw/zinc/14/98/26/952149826.db2.gz MZGRGYBKKOAFCN-SECBINFHSA-N 0 1 386.382 1.316 20 0 GDADMN CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NCC[N@H+]2CCCC2(C)C)C1 ZINC001602893213 971807933 /nfs/dbraw/zinc/80/79/33/971807933.db2.gz PFJUJUZGFALNDY-LJQANCHMSA-N 0 1 399.488 1.068 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001575144371 952165803 /nfs/dbraw/zinc/16/58/03/952165803.db2.gz VBZZQPCVBTUTQV-CXAGYDPISA-N 0 1 392.467 1.531 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575144726 952170867 /nfs/dbraw/zinc/17/08/67/952170867.db2.gz XPCSYRLHHYEBPW-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575164087 952286557 /nfs/dbraw/zinc/28/65/57/952286557.db2.gz BJRGEOIEOIBXOZ-BDAKNGLRSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575164546 952295242 /nfs/dbraw/zinc/29/52/42/952295242.db2.gz FJXUSDKXBDYIQW-RBXMUDONSA-N 0 1 383.865 1.128 20 0 GDADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnsn1 ZINC001575166498 952326686 /nfs/dbraw/zinc/32/66/86/952326686.db2.gz WVUZYTNMSQNKSH-RXMQYKEDSA-N 0 1 385.866 1.401 20 0 GDADMN O=C([O-])c1cc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)ccn1 ZINC001595208986 952354299 /nfs/dbraw/zinc/35/42/99/952354299.db2.gz UXZHIISLLFWMOJ-UHFFFAOYSA-N 0 1 399.451 1.931 20 0 GDADMN C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575173931 952360659 /nfs/dbraw/zinc/36/06/59/952360659.db2.gz CYGCEJNDMFGPDC-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575173931 952360666 /nfs/dbraw/zinc/36/06/66/952360666.db2.gz CYGCEJNDMFGPDC-ZDUSSCGKSA-N 0 1 387.492 1.180 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[NH+]1CCCC1 ZINC001575180098 952414822 /nfs/dbraw/zinc/41/48/22/952414822.db2.gz RPFLCEGCXLLTLZ-SECBINFHSA-N 0 1 384.897 1.331 20 0 GDADMN C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575187171 952437858 /nfs/dbraw/zinc/43/78/58/952437858.db2.gz ADFPAPSDELEBTK-OLZOCXBDSA-N 0 1 383.431 1.618 20 0 GDADMN O=C(Cn1ccc(-c2nn[nH]n2)cc1=O)Nc1ccc(Br)cc1 ZINC001571114680 952459295 /nfs/dbraw/zinc/45/92/95/952459295.db2.gz LMHUZTLZRLUVOJ-UHFFFAOYSA-N 0 1 375.186 1.430 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575191166 952467390 /nfs/dbraw/zinc/46/73/90/952467390.db2.gz XMBJSLRWBSRVDR-QWHCGFSZSA-N 0 1 382.428 1.166 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cn2)C[C@H]1C ZINC001575201800 952506890 /nfs/dbraw/zinc/50/68/90/952506890.db2.gz QQSLWCDHDFMLKY-GZBFAFLISA-N 0 1 395.471 1.052 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001575202257 952512239 /nfs/dbraw/zinc/51/22/39/952512239.db2.gz UXIXSNKBCROKNG-SNVBAGLBSA-N 0 1 385.407 1.063 20 0 GDADMN O=S(=O)(N[C@H]1CCc2ccc(Cl)cc21)c1cccnc1-c1nn[nH]n1 ZINC001571122761 952526509 /nfs/dbraw/zinc/52/65/09/952526509.db2.gz KAUAQWBXXCMECX-LBPRGKRZSA-N 0 1 376.829 1.881 20 0 GDADMN Cc1nnsc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123391 952528745 /nfs/dbraw/zinc/52/87/45/952528745.db2.gz RBNZZSHPRJJBKJ-SECBINFHSA-N 0 1 376.471 1.092 20 0 GDADMN Cc1nnsc1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123391 952528751 /nfs/dbraw/zinc/52/87/51/952528751.db2.gz RBNZZSHPRJJBKJ-SECBINFHSA-N 0 1 376.471 1.092 20 0 GDADMN CC(F)(F)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001575213741 952560290 /nfs/dbraw/zinc/56/02/90/952560290.db2.gz UCJKFJNQGMSEAS-UHFFFAOYSA-N 0 1 386.428 1.338 20 0 GDADMN CC(F)(F)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001575213741 952560296 /nfs/dbraw/zinc/56/02/96/952560296.db2.gz UCJKFJNQGMSEAS-UHFFFAOYSA-N 0 1 386.428 1.338 20 0 GDADMN O=C(Cc1ccccc1)N[C@@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571128064 952561698 /nfs/dbraw/zinc/56/16/98/952561698.db2.gz OLPAMVOKVDWHHA-HZPDHXFCSA-N 0 1 377.452 1.623 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC001571130223 952579751 /nfs/dbraw/zinc/57/97/51/952579751.db2.gz QARSZWUJRSXWIC-SNVBAGLBSA-N 0 1 378.387 1.033 20 0 GDADMN Cc1cc(N2CC[C@H](NC(=O)c3ncccc3C)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134391 952589774 /nfs/dbraw/zinc/58/97/74/952589774.db2.gz HXBNHQJOXWVJHA-HIFRSBDPSA-N 0 1 378.440 1.671 20 0 GDADMN Cc1cc(N2CCC3(C[C@H]3NC(=O)c3ccc[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571134588 952592860 /nfs/dbraw/zinc/59/28/60/952592860.db2.gz HLPBSSGKDHLIHJ-MRXNPFEDSA-N 0 1 378.440 1.687 20 0 GDADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001571135567 952605598 /nfs/dbraw/zinc/60/55/98/952605598.db2.gz XAGGLSRHWKCBLP-ZFWWWQNUSA-N 0 1 378.440 1.431 20 0 GDADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1ocnc1C1CC1 ZINC001571140628 952627658 /nfs/dbraw/zinc/62/76/58/952627658.db2.gz DJCQMCJNNCAABA-OAHLLOKOSA-N 0 1 379.424 1.736 20 0 GDADMN COCc1cccc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571141776 952636230 /nfs/dbraw/zinc/63/62/30/952636230.db2.gz MJQRYXXWFPSSBM-GASCZTMLSA-N 0 1 379.424 1.203 20 0 GDADMN CC[C@H](OC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571142300 952639901 /nfs/dbraw/zinc/63/99/01/952639901.db2.gz OOFMTPORKBMWDZ-JSGCOSHPSA-N 0 1 378.502 1.824 20 0 GDADMN CC[C@H](OC)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571142300 952639902 /nfs/dbraw/zinc/63/99/02/952639902.db2.gz OOFMTPORKBMWDZ-JSGCOSHPSA-N 0 1 378.502 1.824 20 0 GDADMN O=C(Nc1nc(Cl)c(-c2nn[nH]n2)s1)c1ccn(CC(F)(F)F)n1 ZINC001571142491 952643314 /nfs/dbraw/zinc/64/33/14/952643314.db2.gz RUIDUVLDCCULJH-UHFFFAOYSA-N 0 1 378.727 1.988 20 0 GDADMN CC(C)[C@@H](O)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001571142736 952646497 /nfs/dbraw/zinc/64/64/97/952646497.db2.gz XBANLXZFAGRLHO-IUODEOHRSA-N 0 1 378.502 1.368 20 0 GDADMN CC(C)[C@@H](O)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001571142736 952646499 /nfs/dbraw/zinc/64/64/99/952646499.db2.gz XBANLXZFAGRLHO-IUODEOHRSA-N 0 1 378.502 1.368 20 0 GDADMN O=C(c1ccoc1)N1C[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571147798 952664295 /nfs/dbraw/zinc/66/42/95/952664295.db2.gz QKLZPIQDKZEMPP-APHBMKBZSA-N 0 1 379.424 1.629 20 0 GDADMN CCc1ccc(CCN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 ZINC001571151732 952678378 /nfs/dbraw/zinc/67/83/78/952678378.db2.gz VVNBQRISANLIJW-QGZVFWFLSA-N 0 1 379.468 1.804 20 0 GDADMN Cc1nc(C(=O)N2CC[C@@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)c[nH]1 ZINC001571153580 952685915 /nfs/dbraw/zinc/68/59/15/952685915.db2.gz QYZSNFXBCRABKH-SSDOTTSWSA-N 0 1 379.837 1.335 20 0 GDADMN C[C@H]1C[C@H](C(=O)Nc2c(-c3nn[nH]n3)nnn2Cc2ccccc2)CCC1=O ZINC001571154844 952690417 /nfs/dbraw/zinc/69/04/17/952690417.db2.gz CHWHCDWAEHPRLC-WCQYABFASA-N 0 1 380.412 1.450 20 0 GDADMN C[C@H]1CC[C@@H](NC(=O)c2ccccc2O)CN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571155498 952697565 /nfs/dbraw/zinc/69/75/65/952697565.db2.gz UPMBXBSGUNYPLK-NWDGAFQWSA-N 0 1 380.412 1.150 20 0 GDADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)n1 ZINC001571156665 952704069 /nfs/dbraw/zinc/70/40/69/952704069.db2.gz GMPIWDZGWHMHAZ-ZMJPVWNMSA-N 0 1 379.428 1.156 20 0 GDADMN CCCc1[nH]ccc1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571165619 952753225 /nfs/dbraw/zinc/75/32/25/952753225.db2.gz GYDWYMHVILAQGV-CYBMUJFWSA-N 0 1 380.456 1.859 20 0 GDADMN CCn1cc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c(C)n1 ZINC001571169382 952772549 /nfs/dbraw/zinc/77/25/49/952772549.db2.gz BCNKBWFOUCUYHR-UHFFFAOYSA-N 0 1 380.456 1.253 20 0 GDADMN Cc1cc(NCC[C@@H]2CCN(C(=O)c3cccn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169462 952773876 /nfs/dbraw/zinc/77/38/76/952773876.db2.gz DDOLLYPDQAWGIK-CQSZACIVSA-N 0 1 380.456 1.295 20 0 GDADMN Cc1cc(NC[C@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169840 952779122 /nfs/dbraw/zinc/77/91/22/952779122.db2.gz PBHQAFCBPWBBIY-OCCSQVGLSA-N 0 1 380.456 1.069 20 0 GDADMN Cc1ccc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)n1C ZINC001571170924 952790576 /nfs/dbraw/zinc/79/05/76/952790576.db2.gz ZNEKMCMQWDVZJF-CQSZACIVSA-N 0 1 380.456 1.356 20 0 GDADMN O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1=CCCC1 ZINC001571171553 952793560 /nfs/dbraw/zinc/79/35/60/952793560.db2.gz BUGSPUYKQFNEMA-YOWGUQMCSA-N 0 1 380.456 1.631 20 0 GDADMN Cc1cc(C(=O)N2CC[C@@H](Nc3nc(-c4nn[nH]n4)c(Cl)s3)C2)on1 ZINC001571172549 952808172 /nfs/dbraw/zinc/80/81/72/952808172.db2.gz WYOJDUJAOLOQMU-SSDOTTSWSA-N 0 1 380.821 1.600 20 0 GDADMN CCc1nc(C(=O)N[C@@H](C)C2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571183415 952877765 /nfs/dbraw/zinc/87/77/65/952877765.db2.gz ZTPHMISGXNNQBN-LBPRGKRZSA-N 0 1 381.440 1.667 20 0 GDADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571183928 952886219 /nfs/dbraw/zinc/88/62/19/952886219.db2.gz MWBNGBONCRQZRJ-STQMWFEESA-N 0 1 381.444 1.124 20 0 GDADMN CC[C@H]1CN(C(=O)c2cc(C)[nH]n2)CC[C@H]1Nc1ncccc1-c1nn[nH]n1 ZINC001571184363 952891522 /nfs/dbraw/zinc/89/15/22/952891522.db2.gz XOMUMCCJWJYIBS-GXTWGEPZSA-N 0 1 381.444 1.646 20 0 GDADMN Cc1[nH]nc(C(=O)N2CC[C@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)c1C ZINC001571185581 952902358 /nfs/dbraw/zinc/90/23/58/952902358.db2.gz NLAUPZKDQZMDBA-CYBMUJFWSA-N 0 1 381.444 1.200 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1C)C1CC1 ZINC001571193152 952951371 /nfs/dbraw/zinc/95/13/71/952951371.db2.gz YVGFXAVGQRWJKP-KHQFGBGNSA-N 0 1 381.893 1.964 20 0 GDADMN O=C(NC1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1)c1cncnc1 ZINC001571199934 953005155 /nfs/dbraw/zinc/00/51/55/953005155.db2.gz CZSPBIUSOIDVDP-UHFFFAOYSA-N 0 1 382.403 1.190 20 0 GDADMN O=C(N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)c1cccc(F)c1 ZINC001571200718 953010548 /nfs/dbraw/zinc/01/05/48/953010548.db2.gz KLSLCFVMNXLVCW-ZIAGYGMSSA-N 0 1 382.403 1.371 20 0 GDADMN Cc1nocc1C(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571201076 953013725 /nfs/dbraw/zinc/01/37/25/953013725.db2.gz JHGIQPYHYFDSSD-GXFFZTMASA-N 0 1 382.428 1.109 20 0 GDADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1)c1n[nH]cc1F 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GQHNWOZARPCXST-ZDUSSCGKSA-N 0 1 395.471 1.947 20 0 GDADMN C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820570300 606163751 /nfs/dbraw/zinc/16/37/51/606163751.db2.gz GQHNWOZARPCXST-ZDUSSCGKSA-N 0 1 395.471 1.947 20 0 GDADMN CO[C@H](C)c1noc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000821675099 606172286 /nfs/dbraw/zinc/17/22/86/606172286.db2.gz CZMUMJBWSYQMGT-MRVPVSSYSA-N 0 1 387.787 1.974 20 0 GDADMN O=C(OCCc1c[nH]nn1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823410399 606181274 /nfs/dbraw/zinc/18/12/74/606181274.db2.gz VIFKRYYHWYGQHG-UHFFFAOYSA-N 0 1 391.391 1.963 20 0 GDADMN O=C(OCCc1cnn[nH]1)c1cccc(COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823410399 606181276 /nfs/dbraw/zinc/18/12/76/606181276.db2.gz VIFKRYYHWYGQHG-UHFFFAOYSA-N 0 1 391.391 1.963 20 0 GDADMN CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820076178 606201627 /nfs/dbraw/zinc/20/16/27/606201627.db2.gz FJCIOQDKELNWJQ-UHFFFAOYSA-N 0 1 393.517 1.298 20 0 GDADMN CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820076178 606201629 /nfs/dbraw/zinc/20/16/29/606201629.db2.gz FJCIOQDKELNWJQ-UHFFFAOYSA-N 0 1 393.517 1.298 20 0 GDADMN COC(=O)Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000821663952 606211958 /nfs/dbraw/zinc/21/19/58/606211958.db2.gz VZAVDLHZLAMJHV-UHFFFAOYSA-N 0 1 389.393 1.089 20 0 GDADMN CC1(C)[C@H]([NH2+][C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)[C@@H]2CCCO[C@@H]21 ZINC000820583446 606307543 /nfs/dbraw/zinc/30/75/43/606307543.db2.gz DINTWHJNADVOFY-ASEORRQLSA-N 0 1 388.497 1.827 20 0 GDADMN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822267298 606413301 /nfs/dbraw/zinc/41/33/01/606413301.db2.gz ROTUMBBUZYNOBY-UHFFFAOYSA-N 0 1 378.483 1.305 20 0 GDADMN C[C@]1(c2ccc(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000820628882 606414588 /nfs/dbraw/zinc/41/45/88/606414588.db2.gz PQBQJOBHNCAGGA-QGZVFWFLSA-N 0 1 383.437 1.273 20 0 GDADMN C[C@]1(c2ccc(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000820628882 606414590 /nfs/dbraw/zinc/41/45/90/606414590.db2.gz PQBQJOBHNCAGGA-QGZVFWFLSA-N 0 1 383.437 1.273 20 0 GDADMN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2nccc(C3CC3)n2)c1 ZINC000530157025 649966733 /nfs/dbraw/zinc/96/67/33/649966733.db2.gz OYMFCVSRCLURHG-UHFFFAOYSA-N 0 1 382.467 1.405 20 0 GDADMN C[C@H](N[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820404337 606472167 /nfs/dbraw/zinc/47/21/67/606472167.db2.gz SJNGUKNQSAWQHL-GNTOHDJUSA-N 0 1 378.436 1.936 20 0 GDADMN FC(F)Oc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]1CN1CCOCC1 ZINC000822732867 606502773 /nfs/dbraw/zinc/50/27/73/606502773.db2.gz NBGNCUNPZQUCCH-HNNXBMFYSA-N 0 1 394.426 1.765 20 0 GDADMN C[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1N1CCOCC1 ZINC000820759966 606523470 /nfs/dbraw/zinc/52/34/70/606523470.db2.gz ORXJXMWVKGMXHG-DOMZBBRYSA-N 0 1 394.426 1.621 20 0 GDADMN COC(=O)c1cc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)cn1C ZINC000821668252 606585246 /nfs/dbraw/zinc/58/52/46/606585246.db2.gz XIQRTXYIPXZTKY-UHFFFAOYSA-N 0 1 389.397 1.067 20 0 GDADMN CC[C@H](CN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)Oc1cccc(F)c1 ZINC000820908614 606599415 /nfs/dbraw/zinc/59/94/15/606599415.db2.gz NZUOPPCHUAJLAE-WBVHZDCISA-N 0 1 384.415 1.979 20 0 GDADMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2c[nH]nn2)c1-c1nn[nH]n1 ZINC000822016158 606608809 /nfs/dbraw/zinc/60/88/09/606608809.db2.gz VXAVSCCBZOUXIA-UHFFFAOYSA-N 0 1 399.440 1.775 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)NCCCc2c(C)noc2C)cc1-c1nn[nH]n1 ZINC000821978850 606633499 /nfs/dbraw/zinc/63/34/99/606633499.db2.gz NFBOKEQFYXTYSB-UHFFFAOYSA-N 0 1 389.441 1.657 20 0 GDADMN O=C(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000823453971 606674861 /nfs/dbraw/zinc/67/48/61/606674861.db2.gz HDZJBKAJUDDVDH-ZDUSSCGKSA-N 0 1 392.410 1.472 20 0 GDADMN C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857228 606699472 /nfs/dbraw/zinc/69/94/72/606699472.db2.gz POMOEMLEHGGXPN-LBPRGKRZSA-N 0 1 383.460 1.088 20 0 GDADMN C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857228 606699474 /nfs/dbraw/zinc/69/94/74/606699474.db2.gz POMOEMLEHGGXPN-LBPRGKRZSA-N 0 1 383.460 1.088 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000820705331 606699496 /nfs/dbraw/zinc/69/94/96/606699496.db2.gz UCWVVLVLYOKECX-AGIUHOORSA-N 0 1 389.508 1.120 20 0 GDADMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000820705331 606699498 /nfs/dbraw/zinc/69/94/98/606699498.db2.gz UCWVVLVLYOKECX-AGIUHOORSA-N 0 1 389.508 1.120 20 0 GDADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000821652514 606755184 /nfs/dbraw/zinc/75/51/84/606755184.db2.gz UNVZCGJYJSCQFB-GJZGRUSLSA-N 0 1 382.428 1.387 20 0 GDADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000821652514 606755185 /nfs/dbraw/zinc/75/51/85/606755185.db2.gz UNVZCGJYJSCQFB-GJZGRUSLSA-N 0 1 382.428 1.387 20 0 GDADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N1CC[C@]2(CCOC2)C1 ZINC000819868455 606771676 /nfs/dbraw/zinc/77/16/76/606771676.db2.gz YHARQWIGFIHYMY-DIFFPNOSSA-N 0 1 376.848 1.960 20 0 GDADMN CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000821589247 606820422 /nfs/dbraw/zinc/82/04/22/606820422.db2.gz FEFCWDXFASMWMG-UHFFFAOYSA-N 0 1 386.437 1.764 20 0 GDADMN CCCCOc1cccc(CNC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c1 ZINC000821077957 606825055 /nfs/dbraw/zinc/82/50/55/606825055.db2.gz YIXYUBLJDAJOQS-UHFFFAOYSA-N 0 1 382.424 1.524 20 0 GDADMN O=S(=O)(NCc1cn2ccccc2n1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823577879 606885495 /nfs/dbraw/zinc/88/54/95/606885495.db2.gz CBDBYYFXZAOOGB-UHFFFAOYSA-N 0 1 391.363 1.271 20 0 GDADMN O=S(=O)(N[C@H]1COc2ccccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572896 606889100 /nfs/dbraw/zinc/88/91/00/606889100.db2.gz ONJNWINUUZAQNQ-LBPRGKRZSA-N 0 1 379.348 1.557 20 0 GDADMN O=S(=O)(c1c(F)cc(-c2nn[nH]n2)cc1F)N1CC[C@H](N2CCCC2)C1 ZINC000823595116 606889516 /nfs/dbraw/zinc/88/95/16/606889516.db2.gz XBFLYMODMJQCIW-NSHDSACASA-N 0 1 384.412 1.004 20 0 GDADMN CC(C)(C)SCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000819951816 606889523 /nfs/dbraw/zinc/88/95/23/606889523.db2.gz WZEWJHXQRKDTPQ-UHFFFAOYSA-N 0 1 377.442 1.955 20 0 GDADMN CC1(C)[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[C@@H]2CCO[C@H]21 ZINC000820583059 606891636 /nfs/dbraw/zinc/89/16/36/606891636.db2.gz AZGQDTOVPBBELM-ZEGGKSINSA-N 0 1 385.396 1.237 20 0 GDADMN C[C@H](Cc1ccncc1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820299166 606895103 /nfs/dbraw/zinc/89/51/03/606895103.db2.gz CUXKOAZFJGFACZ-SECBINFHSA-N 0 1 380.380 1.449 20 0 GDADMN CCCc1nc([C@H]2CN(c3nnc(CC)c(CC)c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000821142696 606943025 /nfs/dbraw/zinc/94/30/25/606943025.db2.gz LUTLBFYXLOQOJS-CYBMUJFWSA-N 0 1 398.475 1.430 20 0 GDADMN CCCc1n[nH]c([C@H]2CN(c3nnc(CC)c(CC)c3-c3nn[nH]n3)CCO2)n1 ZINC000821142696 606943027 /nfs/dbraw/zinc/94/30/27/606943027.db2.gz LUTLBFYXLOQOJS-CYBMUJFWSA-N 0 1 398.475 1.430 20 0 GDADMN Cn1cc[nH+]c1Cn1cc(-c2nnn[n-]2)c(=O)c2cc(Br)ccc21 ZINC000822699400 607008541 /nfs/dbraw/zinc/00/85/41/607008541.db2.gz ZNAZBWDMWIZNAJ-UHFFFAOYSA-N 0 1 386.213 1.726 20 0 GDADMN Cc1cc(=O)[nH]cc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822160284 607023404 /nfs/dbraw/zinc/02/34/04/607023404.db2.gz GJAWNHBGYLUXDH-UHFFFAOYSA-N 0 1 393.451 1.624 20 0 GDADMN CCc1nc([C@@H]2CN(C(=O)N[C@H](C)c3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000821504828 607108713 /nfs/dbraw/zinc/10/87/13/607108713.db2.gz LKACFXZGSCFISP-RISCZKNCSA-N 0 1 397.443 1.391 20 0 GDADMN CN1CCc2ccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)cc2C1=O ZINC000821630133 607155328 /nfs/dbraw/zinc/15/53/28/607155328.db2.gz NKGISYQLDGVRNC-UHFFFAOYSA-N 0 1 384.421 1.296 20 0 GDADMN COc1coc(Cn2cc(-c3nn[nH]n3)c(=O)c3cc(Cl)ccc32)cc1=O ZINC000821910892 607157109 /nfs/dbraw/zinc/15/71/09/607157109.db2.gz JTJPRCLRAWBYQF-UHFFFAOYSA-N 0 1 385.767 1.845 20 0 GDADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000823161353 607192087 /nfs/dbraw/zinc/19/20/87/607192087.db2.gz NJTCDUXWYKAQHS-OALUTQOASA-N 0 1 392.463 1.480 20 0 GDADMN Cc1nc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)sc1Cc1cccc(C)c1 ZINC000822303736 607208839 /nfs/dbraw/zinc/20/88/39/607208839.db2.gz HLYPTKRWRGXAGZ-UHFFFAOYSA-N 0 1 395.452 1.761 20 0 GDADMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000820703502 607209028 /nfs/dbraw/zinc/20/90/28/607209028.db2.gz GLQKWWMULIYMOW-GFCCVEGCSA-N 0 1 395.427 1.112 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(-c2ccncc2)cc1 ZINC000820333448 607220724 /nfs/dbraw/zinc/22/07/24/607220724.db2.gz CBQHPMUHVXINKR-GFCCVEGCSA-N 0 1 375.396 1.398 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823122707 607223194 /nfs/dbraw/zinc/22/31/94/607223194.db2.gz GSPJCNIDCDPLTC-UHFFFAOYSA-N 0 1 384.419 1.611 20 0 GDADMN CCOC(=O)Cc1nnc(NC(=O)c2ncc(-c3nn[nH]n3)cc2Cl)s1 ZINC000825517812 607775179 /nfs/dbraw/zinc/77/51/79/607775179.db2.gz NMVOBHUSRLVIEG-UHFFFAOYSA-N 0 1 394.804 1.125 20 0 GDADMN O=C(N[C@H]1CC[C@H](O)CC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826450474 607808101 /nfs/dbraw/zinc/80/81/01/607808101.db2.gz NXPVRDQVZRFNOT-IYARVYRRSA-N 0 1 399.499 1.388 20 0 GDADMN COc1ccc(CONC(=N)[C@@H]2COc3ccccc3O2)cc1-c1nn[nH]n1 ZINC000826206680 607973631 /nfs/dbraw/zinc/97/36/31/607973631.db2.gz GYXIEJGYOLGRNG-INIZCTEOSA-N 0 1 382.380 1.714 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2ccc(C)cc2)c1-c1nnn[n-]1 ZINC000826077588 608018778 /nfs/dbraw/zinc/01/87/78/608018778.db2.gz NMIIDJCSYXLWPU-UHFFFAOYSA-N 0 1 396.455 1.652 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCC(=O)c2ccc(C)cc2)c1-c1nn[n-]n1 ZINC000826077588 608018779 /nfs/dbraw/zinc/01/87/79/608018779.db2.gz NMIIDJCSYXLWPU-UHFFFAOYSA-N 0 1 396.455 1.652 20 0 GDADMN CCc1ccccc1OCC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825728123 608018807 /nfs/dbraw/zinc/01/88/07/608018807.db2.gz IVHGMIQNJLGCGT-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN CCc1ccccc1OCC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825728123 608018808 /nfs/dbraw/zinc/01/88/08/608018808.db2.gz IVHGMIQNJLGCGT-UHFFFAOYSA-N 0 1 384.444 1.322 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](SC)c2ccccc2)c1-c1nnn[n-]1 ZINC000826073339 608019352 /nfs/dbraw/zinc/01/93/52/608019352.db2.gz OKAGLJIEPTVFNM-CQSZACIVSA-N 0 1 386.485 1.785 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](SC)c2ccccc2)c1-c1nn[n-]n1 ZINC000826073339 608019353 /nfs/dbraw/zinc/01/93/53/608019353.db2.gz OKAGLJIEPTVFNM-CQSZACIVSA-N 0 1 386.485 1.785 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2SCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077740 608019576 /nfs/dbraw/zinc/01/95/76/608019576.db2.gz SRUITGWHJCKUGQ-HNNXBMFYSA-N 0 1 398.496 1.711 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2SCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077740 608019577 /nfs/dbraw/zinc/01/95/77/608019577.db2.gz SRUITGWHJCKUGQ-HNNXBMFYSA-N 0 1 398.496 1.711 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000826077589 608019765 /nfs/dbraw/zinc/01/97/65/608019765.db2.gz NMSHEKHTXGTOGJ-UHFFFAOYSA-N 0 1 390.398 1.591 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000826077589 608019766 /nfs/dbraw/zinc/01/97/66/608019766.db2.gz NMSHEKHTXGTOGJ-UHFFFAOYSA-N 0 1 390.398 1.591 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3ncsc3c2)c1-c1nnn[n-]1 ZINC000826083974 608020025 /nfs/dbraw/zinc/02/00/25/608020025.db2.gz SPRMZJJOHWPPCN-UHFFFAOYSA-N 0 1 383.441 1.604 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3ncsc3c2)c1-c1nn[n-]n1 ZINC000826083974 608020026 /nfs/dbraw/zinc/02/00/26/608020026.db2.gz SPRMZJJOHWPPCN-UHFFFAOYSA-N 0 1 383.441 1.604 20 0 GDADMN CCOc1ccc(CCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cc1 ZINC000825638778 608020865 /nfs/dbraw/zinc/02/08/65/608020865.db2.gz OSXYMNGVIFAWRP-UHFFFAOYSA-N 0 1 398.471 1.712 20 0 GDADMN CCOc1ccc(CCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cc1 ZINC000825638778 608020866 /nfs/dbraw/zinc/02/08/66/608020866.db2.gz OSXYMNGVIFAWRP-UHFFFAOYSA-N 0 1 398.471 1.712 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC2CCCCCC2)c1-c1nnn[n-]1 ZINC000826073403 608021195 /nfs/dbraw/zinc/02/11/95/608021195.db2.gz QTDAGMBGGBQADB-LBPRGKRZSA-N 0 1 390.492 1.808 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC2CCCCCC2)c1-c1nn[n-]n1 ZINC000826073403 608021196 /nfs/dbraw/zinc/02/11/96/608021196.db2.gz QTDAGMBGGBQADB-LBPRGKRZSA-N 0 1 390.492 1.808 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cncn2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826083010 608022270 /nfs/dbraw/zinc/02/22/70/608022270.db2.gz DZHQMQXJJYCKHT-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cncn2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826083010 608022271 /nfs/dbraw/zinc/02/22/71/608022271.db2.gz DZHQMQXJJYCKHT-UHFFFAOYSA-N 0 1 392.427 1.180 20 0 GDADMN O=C(CCN1CCOC[C@@H]1C1CC1)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000826407156 608045847 /nfs/dbraw/zinc/04/58/47/608045847.db2.gz CYMZOHCCUSDBHM-CYBMUJFWSA-N 0 1 388.497 1.856 20 0 GDADMN C[C@@H](CN1CCN(C)CC1)Nc1ccc(-c2nn[nH]n2)cc1Br ZINC000824412659 608049976 /nfs/dbraw/zinc/04/99/76/608049976.db2.gz DAJDHFUZLFETIO-NSHDSACASA-N 0 1 380.294 1.677 20 0 GDADMN O=C(CCN1CCN(Cc2ccncc2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407719 608079559 /nfs/dbraw/zinc/07/95/59/608079559.db2.gz XRXIJEFQOSLYFH-UHFFFAOYSA-N 0 1 392.467 1.408 20 0 GDADMN C[C@H]1C[C@H](CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO1 ZINC000824883733 608125206 /nfs/dbraw/zinc/12/52/06/608125206.db2.gz IWNSMTYKFIFNBX-VHSXEESVSA-N 0 1 387.412 1.628 20 0 GDADMN C[C@@]1(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCO[C@H]1C1CC1 ZINC000824838508 608127922 /nfs/dbraw/zinc/12/79/22/608127922.db2.gz RBJCGRYGROLZJC-DZGCQCFKSA-N 0 1 385.396 1.381 20 0 GDADMN Cc1ocnc1CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826342467 608164250 /nfs/dbraw/zinc/16/42/50/608164250.db2.gz LTEHIHAYIJNSPR-UHFFFAOYSA-N 0 1 399.415 1.060 20 0 GDADMN C[C@H](O)CNC(=O)c1cccc(Oc2snc(Cl)c2-c2nn[nH]n2)c1 ZINC000824706851 608183861 /nfs/dbraw/zinc/18/38/61/608183861.db2.gz KMOQZRODLDKATO-ZETCQYMHSA-N 0 1 380.817 1.880 20 0 GDADMN Cn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1C1CC[NH2+]CC1 ZINC000826356580 608184343 /nfs/dbraw/zinc/18/43/43/608184343.db2.gz XAZPSCUWEIQQEN-UHFFFAOYSA-N 0 1 383.894 1.723 20 0 GDADMN Cn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1C1CC[NH2+]CC1 ZINC000826356580 608184345 /nfs/dbraw/zinc/18/43/45/608184345.db2.gz XAZPSCUWEIQQEN-UHFFFAOYSA-N 0 1 383.894 1.723 20 0 GDADMN O=C(CN1CCC(Cc2cccnc2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410605 608209541 /nfs/dbraw/zinc/20/95/41/608209541.db2.gz SDQQSQJDUVCFRL-UHFFFAOYSA-N 0 1 391.479 1.833 20 0 GDADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC(Cc2cccnc2)CC1 ZINC000826389349 608209562 /nfs/dbraw/zinc/20/95/62/608209562.db2.gz VYTAQUHLDREUFN-SFHVURJKSA-N 0 1 377.452 1.743 20 0 GDADMN C[C@H](C(N)=O)N(C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC000824967722 608267594 /nfs/dbraw/zinc/26/75/94/608267594.db2.gz MTIZNUDQNMPDIA-VHSXEESVSA-N 0 1 391.501 1.187 20 0 GDADMN CSc1cc(CNC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)ccn1 ZINC000826230050 608280419 /nfs/dbraw/zinc/28/04/19/608280419.db2.gz BNPWJWAYKQPLMO-UHFFFAOYSA-N 0 1 389.466 1.736 20 0 GDADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824487732 608316036 /nfs/dbraw/zinc/31/60/36/608316036.db2.gz CEUUVGZEFGNQFZ-VHSXEESVSA-N 0 1 394.361 1.785 20 0 GDADMN CCC[C@@H]1CN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825254814 608326887 /nfs/dbraw/zinc/32/68/87/608326887.db2.gz VBTNBIAOXDBGSX-QGZVFWFLSA-N 0 1 387.488 1.509 20 0 GDADMN C[C@@H]1CCCCN1CCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824936113 608328112 /nfs/dbraw/zinc/32/81/12/608328112.db2.gz DVRCBDNNQWUEDI-GFCCVEGCSA-N 0 1 382.465 1.300 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC(N(C)c2cccnn2)CC1 ZINC000826168340 608358302 /nfs/dbraw/zinc/35/83/02/608358302.db2.gz KDDVXDAIHCNDAQ-UHFFFAOYSA-N 0 1 380.456 1.766 20 0 GDADMN COc1cc(-c2nn[nH]n2)ccc1CN(C)[C@@H]1CCCN(Cc2noc(C)n2)C1 ZINC000826167981 608358564 /nfs/dbraw/zinc/35/85/64/608358564.db2.gz YDSYKDHOAUAYMA-MRXNPFEDSA-N 0 1 398.471 1.663 20 0 GDADMN COc1ccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1-c1nn[nH]n1 ZINC000826201665 608362916 /nfs/dbraw/zinc/36/29/16/608362916.db2.gz APKFMAJJBWYULK-LLVKDONJSA-N 0 1 388.453 1.374 20 0 GDADMN Cn1c2ccccc2nc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826355933 608365802 /nfs/dbraw/zinc/36/58/02/608365802.db2.gz TZZBHCPXYHBODT-UHFFFAOYSA-N 0 1 391.439 1.945 20 0 GDADMN C[C@H]1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@@H]1n1ccnc1 ZINC000824957592 608453331 /nfs/dbraw/zinc/45/33/31/608453331.db2.gz XTVFCBMWQANXSU-YOEHRIQHSA-N 0 1 380.456 1.263 20 0 GDADMN C[C@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555359 608468411 /nfs/dbraw/zinc/46/84/11/608468411.db2.gz WEOGKAXPIRBLFH-ZDUSSCGKSA-N 0 1 386.456 1.319 20 0 GDADMN CN(CC(=O)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCSC1 ZINC000825887425 608484671 /nfs/dbraw/zinc/48/46/71/608484671.db2.gz GNHDCVGOWSFRTR-QGZVFWFLSA-N 0 1 384.509 1.920 20 0 GDADMN CN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 ZINC000826034461 608565434 /nfs/dbraw/zinc/56/54/34/608565434.db2.gz RIBUSIMSGPGLKK-SNVBAGLBSA-N 0 1 390.391 1.258 20 0 GDADMN C[C@@H](NCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc([S@](C)=O)cc1 ZINC000824562039 608579306 /nfs/dbraw/zinc/57/93/06/608579306.db2.gz BWVCEJNVRYRULH-MUDIAHQHSA-N 0 1 384.465 1.893 20 0 GDADMN CSc1nc(C2CC2)cc(C(=O)N(C)CCC[NH+](C)C)c1-c1nn[n-]n1 ZINC000826231229 608592953 /nfs/dbraw/zinc/59/29/53/608592953.db2.gz CMNGXNAXDLBGER-UHFFFAOYSA-N 0 1 375.502 1.885 20 0 GDADMN C[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)[C@@H](C)CN1C ZINC000824967412 608594210 /nfs/dbraw/zinc/59/42/10/608594210.db2.gz JNXOBTJNNJCZAG-KBPBESRZSA-N 0 1 385.472 1.527 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000824999759 608839396 /nfs/dbraw/zinc/83/93/96/608839396.db2.gz JJYGRRORJKFPBW-HYVNUMGLSA-N 0 1 376.468 1.971 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000824999759 608839399 /nfs/dbraw/zinc/83/93/99/608839399.db2.gz JJYGRRORJKFPBW-HYVNUMGLSA-N 0 1 376.468 1.971 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000824999759 608839401 /nfs/dbraw/zinc/83/94/01/608839401.db2.gz JJYGRRORJKFPBW-HYVNUMGLSA-N 0 1 376.468 1.971 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000824999759 608839405 /nfs/dbraw/zinc/83/94/05/608839405.db2.gz JJYGRRORJKFPBW-HYVNUMGLSA-N 0 1 376.468 1.971 20 0 GDADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2=O)n(C)n1 ZINC000826269231 609152115 /nfs/dbraw/zinc/15/21/15/609152115.db2.gz FTTFFXJMYMNNSE-IAQYHMDHSA-N 0 1 384.419 1.504 20 0 GDADMN CCc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)n[nH]1 ZINC000825740642 609164640 /nfs/dbraw/zinc/16/46/40/609164640.db2.gz XCIJODNVKWVZIY-LLVKDONJSA-N 0 1 392.427 1.532 20 0 GDADMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826434026 609185443 /nfs/dbraw/zinc/18/54/43/609185443.db2.gz ZQQSNRLBCFVWQF-WBVHZDCISA-N 0 1 382.424 1.446 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N(C)c2ccc3c(c2)OCO3)cc1-c1nn[nH]n1 ZINC000826229401 609301392 /nfs/dbraw/zinc/30/13/92/609301392.db2.gz CQAXQMXWXCYDDE-UHFFFAOYSA-N 0 1 386.393 1.695 20 0 GDADMN COC(=O)[C@@H]1CCCCCN1C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000826133468 609302924 /nfs/dbraw/zinc/30/29/24/609302924.db2.gz MKBGJISKENNQAZ-NSHDSACASA-N 0 1 392.441 1.247 20 0 GDADMN C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1nnc[nH]1 ZINC000824632758 609326957 /nfs/dbraw/zinc/32/69/57/609326957.db2.gz DBYSFWYTQROQJH-LURJTMIESA-N 0 1 388.335 1.043 20 0 GDADMN CCOC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000825560587 609350740 /nfs/dbraw/zinc/35/07/40/609350740.db2.gz SGTCFAWXZFLGTP-UHFFFAOYSA-N 0 1 385.384 1.563 20 0 GDADMN Brc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H]1Cn1cncn1 ZINC000823820684 609360083 /nfs/dbraw/zinc/36/00/83/609360083.db2.gz IZIXZUQEWZMBAV-ZDUSSCGKSA-N 0 1 389.261 1.885 20 0 GDADMN CCCn1cc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000825356858 609375862 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ZINC001571289421 946007388 /nfs/dbraw/zinc/00/73/88/946007388.db2.gz CRZLKNVKVDWVTF-KOLCDFICSA-N 0 1 388.457 1.118 20 0 GDADMN Cc1nonc1C(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571289421 946007400 /nfs/dbraw/zinc/00/74/00/946007400.db2.gz CRZLKNVKVDWVTF-KOLCDFICSA-N 0 1 388.457 1.118 20 0 GDADMN O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290543 946048340 /nfs/dbraw/zinc/04/83/40/946048340.db2.gz IKVSDDFTOMPLBC-UWVGGRQHSA-N 0 1 388.819 1.478 20 0 GDADMN O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290704 946052702 /nfs/dbraw/zinc/05/27/02/946052702.db2.gz MKABBTXUAMNZNO-SNVBAGLBSA-N 0 1 388.819 1.550 20 0 GDADMN Cc1ccccc1NC(=O)CCN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000822361977 946071336 /nfs/dbraw/zinc/07/13/36/946071336.db2.gz LYUYVFKJKPNRJC-UHFFFAOYSA-N 0 1 392.467 1.721 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1csc(Cl)n1 ZINC001571295124 946154463 /nfs/dbraw/zinc/15/44/63/946154463.db2.gz UHZJCEAYTJENST-LBPRGKRZSA-N 0 1 389.872 1.981 20 0 GDADMN O=C(NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1CCc2cccnc21 ZINC001571298217 946209626 /nfs/dbraw/zinc/20/96/26/946209626.db2.gz KCSFAYRZDIDURI-PESDSKBTSA-N 0 1 390.451 1.115 20 0 GDADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1sccc1Cl ZINC001571298515 946218034 /nfs/dbraw/zinc/21/80/34/946218034.db2.gz ABNYAOUFRHOFFK-BDAKNGLRSA-N 0 1 390.860 1.509 20 0 GDADMN CC[C@H](SC)C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571298575 946222108 /nfs/dbraw/zinc/22/21/08/946222108.db2.gz BDAOKYKNELPFNQ-OLZOCXBDSA-N 0 1 390.517 1.403 20 0 GDADMN Cc1cc(N2CC[C@@]3(NC(=O)c4cccnc4)CCC[C@H]23)c(-c2nnn[n-]2)c[nH+]1 ZINC001571298856 946230083 /nfs/dbraw/zinc/23/00/83/946230083.db2.gz LAOXQZHWOVCMCR-PXNSSMCTSA-N 0 1 390.451 1.897 20 0 GDADMN O=C(NC[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21)c1cc[nH]c1 ZINC001571298838 946230211 /nfs/dbraw/zinc/23/02/11/946230211.db2.gz FCMIIZNGFPFSOO-OWUUHHOZSA-N 0 1 390.860 1.417 20 0 GDADMN CO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571299260 946242696 /nfs/dbraw/zinc/24/26/96/946242696.db2.gz KCAGUFIUENCKDT-LXIYXOSZSA-N 0 1 390.513 1.681 20 0 GDADMN CO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571299260 946242709 /nfs/dbraw/zinc/24/27/09/946242709.db2.gz KCAGUFIUENCKDT-LXIYXOSZSA-N 0 1 390.513 1.681 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571300181 946273718 /nfs/dbraw/zinc/27/37/18/946273718.db2.gz WIXLLGCVMISWTA-ZIAGYGMSSA-N 0 1 390.513 1.683 20 0 GDADMN O=C(C[C@H]1CCOC1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571300181 946273721 /nfs/dbraw/zinc/27/37/21/946273721.db2.gz WIXLLGCVMISWTA-ZIAGYGMSSA-N 0 1 390.513 1.683 20 0 GDADMN CS(=O)(=O)C1CCN(C(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)CC1 ZINC001571308337 946431775 /nfs/dbraw/zinc/43/17/75/946431775.db2.gz OXQFUUSZBJYIKC-UHFFFAOYSA-N 0 1 391.866 1.018 20 0 GDADMN CCc1cccnc1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571313035 946511044 /nfs/dbraw/zinc/51/10/44/946511044.db2.gz IJYTZINEMSURHZ-OAHLLOKOSA-N 0 1 392.467 1.666 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571313344 946517409 /nfs/dbraw/zinc/51/74/09/946517409.db2.gz NBGQOZPCPNLNTH-LSDHHAIUSA-N 0 1 392.467 1.745 20 0 GDADMN CC(=O)NCC1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000823993843 946535941 /nfs/dbraw/zinc/53/59/41/946535941.db2.gz AOCKNHJIMXAGJZ-SFHVURJKSA-N 0 1 397.483 1.210 20 0 GDADMN CCc1cncc(C(=O)N[C@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571314006 946539480 /nfs/dbraw/zinc/53/94/80/946539480.db2.gz YQJPNTYTWSHJPC-HXUWFJFHSA-N 0 1 392.467 1.926 20 0 GDADMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)ccc1F ZINC000823999636 946539614 /nfs/dbraw/zinc/53/96/14/946539614.db2.gz FIPNOGRGEHKUTA-UHFFFAOYSA-N 0 1 376.373 1.765 20 0 GDADMN CCc1ccc(CC(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)nc1 ZINC001571314034 946540819 /nfs/dbraw/zinc/54/08/19/946540819.db2.gz YYGKBAHDXSKJGF-CZUORRHYSA-N 0 1 392.467 1.285 20 0 GDADMN Cc1cc(N2C[C@]3(C)CN(C(=O)c4cc[nH]c4)C[C@]3(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571314885 946544815 /nfs/dbraw/zinc/54/48/15/946544815.db2.gz CTCHVRMSZWEDNY-BGYRXZFFSA-N 0 1 392.467 1.887 20 0 GDADMN Cc1cccc(C(=O)N2CC[C@@H](C)[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571315007 946547056 /nfs/dbraw/zinc/54/70/56/946547056.db2.gz GJKFKKCKAPHLCC-GDBMZVCRSA-N 0 1 392.467 1.597 20 0 GDADMN Cc1ccc(CC(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cc1C ZINC001571315869 946560546 /nfs/dbraw/zinc/56/05/46/946560546.db2.gz QFAQTFZTLSRBRJ-UHFFFAOYSA-N 0 1 392.467 1.555 20 0 GDADMN Cc1cccnc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571316461 946576634 /nfs/dbraw/zinc/57/66/34/946576634.db2.gz CXQZVXJBYPKXHJ-CVEARBPZSA-N 0 1 392.467 1.777 20 0 GDADMN Cc1cnc(C(=O)N[C@H]2CC[C@H](C)N(Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571316785 946586208 /nfs/dbraw/zinc/58/62/08/946586208.db2.gz MQEBRMLIJRERKP-YOEHRIQHSA-N 0 1 392.467 1.748 20 0 GDADMN Cn1cccc1C(=O)N1C[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571316873 946589723 /nfs/dbraw/zinc/58/97/23/946589723.db2.gz ORUNYCDQDSSOGL-IMJJTQAJSA-N 0 1 392.467 1.375 20 0 GDADMN O=C(Cc1ccccc1)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571317061 946599509 /nfs/dbraw/zinc/59/95/09/946599509.db2.gz UJNIANPUFRTGAX-INIZCTEOSA-N 0 1 392.467 1.504 20 0 GDADMN C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571317477 946612090 /nfs/dbraw/zinc/61/20/90/946612090.db2.gz JGCMIDDRQLKRCW-STQMWFEESA-N 0 1 392.529 1.663 20 0 GDADMN C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571317477 946612092 /nfs/dbraw/zinc/61/20/92/946612092.db2.gz JGCMIDDRQLKRCW-STQMWFEESA-N 0 1 392.529 1.663 20 0 GDADMN CC[C@@H](C(=O)N1CC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571317521 946613151 /nfs/dbraw/zinc/61/31/51/946613151.db2.gz LFEXWLMLVOPOMS-OLZOCXBDSA-N 0 1 392.533 1.622 20 0 GDADMN C[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000824626513 946873303 /nfs/dbraw/zinc/87/33/03/946873303.db2.gz PLBTWRCNEZVMSF-CYBMUJFWSA-N 0 1 386.481 1.968 20 0 GDADMN C[C@H]1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)CCO1 ZINC000824868206 946962414 /nfs/dbraw/zinc/96/24/14/946962414.db2.gz UCWYPHPGQLPEHD-WCQYABFASA-N 0 1 387.444 1.196 20 0 GDADMN CCC[C@H]1CN(C(=S)Nc2ccccc2-c2nn[nH]n2)CCN1CCOC ZINC000825255613 947133131 /nfs/dbraw/zinc/13/31/31/947133131.db2.gz XVZBWLAYCVULMA-AWEZNQCLSA-N 0 1 389.529 1.996 20 0 GDADMN CCOc1cccc([C@@H]2C[C@H]2N[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825648739 947270927 /nfs/dbraw/zinc/27/09/27/947270927.db2.gz ACZCBSBHSPEOPY-RCCFBDPRSA-N 0 1 378.436 1.938 20 0 GDADMN CCc1nn(C)cc1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825763177 947321912 /nfs/dbraw/zinc/32/19/12/947321912.db2.gz RJVLDZKGJLRQKU-UHFFFAOYSA-N 0 1 383.460 1.350 20 0 GDADMN C[C@H](C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccc1 ZINC001573592950 947355065 /nfs/dbraw/zinc/35/50/65/947355065.db2.gz GSXLTCYKSRTGMO-CXAGYDPISA-N 0 1 380.456 1.395 20 0 GDADMN CN(C[C@@H]1CC=CCC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000825909152 947367578 /nfs/dbraw/zinc/36/75/78/947367578.db2.gz SGGCBFLDRYGFEO-JLTOFOAXSA-N 0 1 395.467 1.879 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573593689 947378904 /nfs/dbraw/zinc/37/89/04/947378904.db2.gz UVGNEIUMRKIQLP-DOMZBBRYSA-N 0 1 390.463 1.303 20 0 GDADMN C[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573593689 947378917 /nfs/dbraw/zinc/37/89/17/947378917.db2.gz UVGNEIUMRKIQLP-DOMZBBRYSA-N 0 1 390.463 1.303 20 0 GDADMN C[C@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573594050 947386973 /nfs/dbraw/zinc/38/69/73/947386973.db2.gz WXFXENXZMCICEW-AAEUAGOBSA-N 0 1 384.469 1.559 20 0 GDADMN C[C@@H](C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1ccco1 ZINC001573595014 947413433 /nfs/dbraw/zinc/41/34/33/947413433.db2.gz WKCHBQYFVUVBAS-MLGOLLRUSA-N 0 1 381.440 1.729 20 0 GDADMN C[C@H](C(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CCC1 ZINC001573596567 947431928 /nfs/dbraw/zinc/43/19/28/947431928.db2.gz LCULDAPWVVPADU-BLLLJJGKSA-N 0 1 390.463 1.351 20 0 GDADMN C=Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573351063 947608524 /nfs/dbraw/zinc/60/85/24/947608524.db2.gz JGZWLBKMQJWFRP-SWLSCSKDSA-N 0 1 376.424 1.294 20 0 GDADMN COc1cccc(OCCN2CCN(c3nccc(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826217302 947639693 /nfs/dbraw/zinc/63/96/93/947639693.db2.gz HBFWMAUQKYMAAQ-UHFFFAOYSA-N 0 1 395.467 1.780 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N2CCCc3cccc(O)c32)cc1-c1nn[nH]n1 ZINC000826229710 947672473 /nfs/dbraw/zinc/67/24/73/947672473.db2.gz OFCJZYIEFCWHEF-UHFFFAOYSA-N 0 1 384.421 1.988 20 0 GDADMN C[C@H](C(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)n1cccn1 ZINC001573623374 947686013 /nfs/dbraw/zinc/68/60/13/947686013.db2.gz DWBMHHZFOAMPLO-DOMZBBRYSA-N 0 1 384.419 1.154 20 0 GDADMN C[C@H](C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)c1cccnc1 ZINC001573626594 947712595 /nfs/dbraw/zinc/71/25/95/947712595.db2.gz WBVWUSWPJALTCT-ZDUSSCGKSA-N 0 1 378.440 1.285 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573628047 947743715 /nfs/dbraw/zinc/74/37/15/947743715.db2.gz HRANHNIRNWCWKY-RYUDHWBXSA-N 0 1 392.427 1.302 20 0 GDADMN CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573367632 947761220 /nfs/dbraw/zinc/76/12/20/947761220.db2.gz GDBYURCTUZTJIJ-DZGCQCFKSA-N 0 1 385.472 1.339 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573629247 947775797 /nfs/dbraw/zinc/77/57/97/947775797.db2.gz MUZHFEVQJCNGBB-ZIAGYGMSSA-N 0 1 381.440 1.731 20 0 GDADMN C[C@@H](C(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573629392 947780267 /nfs/dbraw/zinc/78/02/67/947780267.db2.gz SSBJOCAYGNZTHW-UKRRQHHQSA-N 0 1 384.488 1.698 20 0 GDADMN C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2)C1CC1 ZINC001573630649 947794563 /nfs/dbraw/zinc/79/45/63/947794563.db2.gz RJYNIPPPOUWGBA-YJYMSZOUSA-N 0 1 382.472 1.522 20 0 GDADMN CC(=O)CCCC(=O)N1CCCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001573373677 947797438 /nfs/dbraw/zinc/79/74/38/947797438.db2.gz KDFIVIZIVJPVGF-OAHLLOKOSA-N 0 1 385.472 1.838 20 0 GDADMN Cc1onc(CC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1-c1nn[n-]n1 ZINC000826283854 947815805 /nfs/dbraw/zinc/81/58/05/947815805.db2.gz COIREIYXIVWHBL-QGZVFWFLSA-N 0 1 395.467 1.967 20 0 GDADMN C[C@@H](C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccsc1 ZINC001573638038 947831946 /nfs/dbraw/zinc/83/19/46/947831946.db2.gz ZKGDGSOVHASNFZ-GFCCVEGCSA-N 0 1 384.469 1.561 20 0 GDADMN CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573378052 947854541 /nfs/dbraw/zinc/85/45/41/947854541.db2.gz VGJMTXYQKLJKJZ-HUUCEWRRSA-N 0 1 385.472 1.742 20 0 GDADMN CC(=O)CCCC(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573378265 947855061 /nfs/dbraw/zinc/85/50/61/947855061.db2.gz XOIVAFAOAFZMGP-GASCZTMLSA-N 0 1 383.456 1.224 20 0 GDADMN CC(=O)CCCC(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CCC1 ZINC001573381213 947870792 /nfs/dbraw/zinc/87/07/92/947870792.db2.gz QRIYRGHJJPUUPQ-UHFFFAOYSA-N 0 1 388.447 1.894 20 0 GDADMN Cc1cccc(S(=O)(=O)Nc2cccc(-c3ncn(C)n3)c2)c1-c1nn[nH]n1 ZINC000826304005 947873663 /nfs/dbraw/zinc/87/36/63/947873663.db2.gz QPSBJIOQEYOTQB-UHFFFAOYSA-N 0 1 396.436 1.771 20 0 GDADMN CC(=O)CCCC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573381931 947878854 /nfs/dbraw/zinc/87/88/54/947878854.db2.gz ZWLVRAIYXVPPOI-OAHLLOKOSA-N 0 1 385.472 1.662 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)C(F)(F)F ZINC001573647443 947894179 /nfs/dbraw/zinc/89/41/79/947894179.db2.gz LGUKIKJOQPUPIB-MXWKQRLJSA-N 0 1 381.362 1.355 20 0 GDADMN C[C@H](C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cccc1 ZINC001573651655 947922918 /nfs/dbraw/zinc/92/29/18/947922918.db2.gz NVWOVQUDBPNGJH-ATZDWAIDSA-N 0 1 391.479 1.962 20 0 GDADMN C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573651869 947924989 /nfs/dbraw/zinc/92/49/89/947924989.db2.gz QDPILRLLGCFXDA-SRVKXCTJSA-N 0 1 382.453 1.311 20 0 GDADMN C[C@H](C(=O)N=[S@](C)(=O)c1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573652296 947933955 /nfs/dbraw/zinc/93/39/55/947933955.db2.gz WVHFXUXHTOEZRU-IWHNICOQSA-N 0 1 380.821 1.356 20 0 GDADMN C[C@@H](C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C)n1cccc1 ZINC001573652726 947946509 /nfs/dbraw/zinc/94/65/09/947946509.db2.gz HAMJSIOFKASZTJ-BBRMVZONSA-N 0 1 382.472 1.689 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1-c1nnn[n-]1 ZINC000826344273 948005259 /nfs/dbraw/zinc/00/52/59/948005259.db2.gz CECZBHHMKHSXQU-HIFRSBDPSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1-c1nnn[n-]1 ZINC000826344273 948005268 /nfs/dbraw/zinc/00/52/68/948005268.db2.gz CECZBHHMKHSXQU-HIFRSBDPSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826344273 948005277 /nfs/dbraw/zinc/00/52/77/948005277.db2.gz CECZBHHMKHSXQU-HIFRSBDPSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826344273 948005286 /nfs/dbraw/zinc/00/52/86/948005286.db2.gz CECZBHHMKHSXQU-HIFRSBDPSA-N 0 1 387.488 1.819 20 0 GDADMN Cc1onc(CC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826345977 948033913 /nfs/dbraw/zinc/03/39/13/948033913.db2.gz ZMIWOMIOQAHCDL-UHFFFAOYSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826345977 948033920 /nfs/dbraw/zinc/03/39/20/948033920.db2.gz ZMIWOMIOQAHCDL-UHFFFAOYSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826345977 948033926 /nfs/dbraw/zinc/03/39/26/948033926.db2.gz ZMIWOMIOQAHCDL-UHFFFAOYSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826345977 948033931 /nfs/dbraw/zinc/03/39/31/948033931.db2.gz ZMIWOMIOQAHCDL-UHFFFAOYSA-N 0 1 383.456 1.732 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826346818 948045800 /nfs/dbraw/zinc/04/58/00/948045800.db2.gz WJQUQPMENNIWSG-GFCCVEGCSA-N 0 1 383.456 1.951 20 0 GDADMN Cc1onc(CC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826346818 948045808 /nfs/dbraw/zinc/04/58/08/948045808.db2.gz WJQUQPMENNIWSG-GFCCVEGCSA-N 0 1 383.456 1.951 20 0 GDADMN C[C@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573666676 948090288 /nfs/dbraw/zinc/09/02/88/948090288.db2.gz VGNYTYAQVZBHLM-XNWIYYODSA-N 0 1 384.366 1.116 20 0 GDADMN CC(=O)N(Cc1ccccc1)[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001573414315 948093673 /nfs/dbraw/zinc/09/36/73/948093673.db2.gz KIXQGCQBBJEQPY-WOJBJXKFSA-N 0 1 392.463 1.461 20 0 GDADMN CC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573432074 948185155 /nfs/dbraw/zinc/18/51/55/948185155.db2.gz CTBXQHSWUOFLHV-GXTWGEPZSA-N 0 1 386.353 1.895 20 0 GDADMN CC(=O)NCC[N@@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[O-] ZINC001602757169 971470377 /nfs/dbraw/zinc/47/03/77/971470377.db2.gz CYYAJDIYOYEMQS-JQWIXIFHSA-N 0 1 381.420 1.446 20 0 GDADMN C[C@H](C(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cccc1 ZINC001573708115 948443200 /nfs/dbraw/zinc/44/32/00/948443200.db2.gz RLQSNPBRMAZHQE-CQSZACIVSA-N 0 1 380.456 1.657 20 0 GDADMN CC(C)c1nnc2ccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cn21 ZINC001185573207 948490817 /nfs/dbraw/zinc/49/08/17/948490817.db2.gz JYBPVFZWWBEBGA-UHFFFAOYSA-N 0 1 384.425 1.834 20 0 GDADMN CC(C)[C@@H](CCNC(=O)[C@H](C)c1ccco1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573716940 948503355 /nfs/dbraw/zinc/50/33/55/948503355.db2.gz KNGSNKIRRQJSFC-CHWSQXEVSA-N 0 1 384.444 1.418 20 0 GDADMN C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC001573720973 948536184 /nfs/dbraw/zinc/53/61/84/948536184.db2.gz UCZGGWHTZQRPPV-NSHDSACASA-N 0 1 386.847 1.666 20 0 GDADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccsc1 ZINC001573736240 948613028 /nfs/dbraw/zinc/61/30/28/948613028.db2.gz KGJRWESUVPQTKR-WCQYABFASA-N 0 1 384.469 1.607 20 0 GDADMN C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)c1cccs1 ZINC001573745748 948675005 /nfs/dbraw/zinc/67/50/05/948675005.db2.gz HSZOWLZLAUNUDB-TUAOUCFPSA-N 0 1 384.469 1.605 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cnn(C)c1 ZINC001573754084 948724537 /nfs/dbraw/zinc/72/45/37/948724537.db2.gz ZYQNWRFFAYHMQV-DRZSPHRISA-N 0 1 386.485 1.202 20 0 GDADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001573754084 948724543 /nfs/dbraw/zinc/72/45/43/948724543.db2.gz ZYQNWRFFAYHMQV-DRZSPHRISA-N 0 1 386.485 1.202 20 0 GDADMN CC(F)(F)C1(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)C2CC2)CC1 ZINC001575222109 948755688 /nfs/dbraw/zinc/75/56/88/948755688.db2.gz FADWFOUOSVTYIU-CYBMUJFWSA-N 0 1 377.399 1.426 20 0 GDADMN C[C@@H](C(=O)Nc1c(Cl)n(C)nc1C(F)(F)F)n1cnc(-c2nn[nH]n2)n1 ZINC001573755351 948763686 /nfs/dbraw/zinc/76/36/86/948763686.db2.gz CBSIZHUHGAVQOA-BYPYZUCNSA-N 0 1 390.717 1.064 20 0 GDADMN CC(F)(F)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575224246 948780835 /nfs/dbraw/zinc/78/08/35/948780835.db2.gz KUKXXPXWPJPLJB-SNVBAGLBSA-N 0 1 386.428 1.291 20 0 GDADMN CC(F)(F)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575224246 948780844 /nfs/dbraw/zinc/78/08/44/948780844.db2.gz KUKXXPXWPJPLJB-SNVBAGLBSA-N 0 1 386.428 1.291 20 0 GDADMN CC(F)(F)CC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001575224777 948795694 /nfs/dbraw/zinc/79/56/94/948795694.db2.gz REDNZDMGLGUSJA-UHFFFAOYSA-N 0 1 380.403 1.355 20 0 GDADMN CC(C)c1cccc(CNC2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n1 ZINC001574420522 948801172 /nfs/dbraw/zinc/80/11/72/948801172.db2.gz WGGZPVUOMNOJMR-UHFFFAOYSA-N 0 1 380.456 1.765 20 0 GDADMN C[C@@H](CNC(=O)CCCc1ccccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918005 948830477 /nfs/dbraw/zinc/83/04/77/948830477.db2.gz FKYLSLLMGJFIIF-ZDUSSCGKSA-N 0 1 385.497 1.940 20 0 GDADMN C[C@@H](CNC(=O)CCCc1ccccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574918005 948830490 /nfs/dbraw/zinc/83/04/90/948830490.db2.gz FKYLSLLMGJFIIF-ZDUSSCGKSA-N 0 1 385.497 1.940 20 0 GDADMN C[C@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574684273 948862829 /nfs/dbraw/zinc/86/28/29/948862829.db2.gz CSEUDDVGJMYCQT-RKDXNWHRSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574684273 948862890 /nfs/dbraw/zinc/86/28/90/948862890.db2.gz CSEUDDVGJMYCQT-RKDXNWHRSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574684273 948862916 /nfs/dbraw/zinc/86/29/16/948862916.db2.gz CSEUDDVGJMYCQT-RKDXNWHRSA-N 0 1 384.897 1.378 20 0 GDADMN C[C@@H](CNC(=O)CCc1nccs1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920169 948892790 /nfs/dbraw/zinc/89/27/90/948892790.db2.gz DXAJVNOPOIZPNQ-NSHDSACASA-N 0 1 389.460 1.689 20 0 GDADMN C[C@H](CNC(=O)CCc1ncccn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921186 948917632 /nfs/dbraw/zinc/91/76/32/948917632.db2.gz UXUHNSLJCXPIMB-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN C[C@H](CNC(=O)CCc1ncccn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921186 948917640 /nfs/dbraw/zinc/91/76/40/948917640.db2.gz UXUHNSLJCXPIMB-GFCCVEGCSA-N 0 1 386.485 1.288 20 0 GDADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2)C1CC1 ZINC001573772538 948961677 /nfs/dbraw/zinc/96/16/77/948961677.db2.gz ULHGOFCEJCPDHX-STQMWFEESA-N 0 1 382.472 1.354 20 0 GDADMN CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1ccccc1 ZINC001573772611 948963920 /nfs/dbraw/zinc/96/39/20/948963920.db2.gz WCJWFPXPXLBDRG-OAHLLOKOSA-N 0 1 392.467 1.363 20 0 GDADMN CC(C)(C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[NH+]1CCCCC1 ZINC001573772747 948965673 /nfs/dbraw/zinc/96/56/73/948965673.db2.gz DGUMMGBGZDTDLD-UHFFFAOYSA-N 0 1 389.529 1.493 20 0 GDADMN CC(C)c1nocc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574440669 949033357 /nfs/dbraw/zinc/03/33/57/949033357.db2.gz BVSLJDIIHCBDOA-HNNXBMFYSA-N 0 1 381.440 1.982 20 0 GDADMN CC(C)(C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)c1cccnc1 ZINC001573775236 949036077 /nfs/dbraw/zinc/03/60/77/949036077.db2.gz UQZHAQVAIREOQJ-UHFFFAOYSA-N 0 1 392.467 1.507 20 0 GDADMN CC(C)c1nsc(CN[C@@H](C)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574440983 949049520 /nfs/dbraw/zinc/04/95/20/949049520.db2.gz CNPHURAXQOQRLF-JTQLQIEISA-N 0 1 389.489 1.468 20 0 GDADMN CC(C)c1nocc1C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574441133 949051955 /nfs/dbraw/zinc/05/19/55/949051955.db2.gz BZKSVQLPZPQBNV-UHFFFAOYSA-N 0 1 383.416 1.167 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001574694372 949073637 /nfs/dbraw/zinc/07/36/37/949073637.db2.gz OJGNJDSPPKWWOR-BBRMVZONSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@H](C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCC1 ZINC001574694565 949084869 /nfs/dbraw/zinc/08/48/69/949084869.db2.gz RPZHZNOWLBOEMY-RHSMWYFYSA-N 0 1 386.504 1.641 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001574694663 949086943 /nfs/dbraw/zinc/08/69/43/949086943.db2.gz UBOHHTLNDMCTLK-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001574694663 949086962 /nfs/dbraw/zinc/08/69/62/949086962.db2.gz UBOHHTLNDMCTLK-ZFWWWQNUSA-N 0 1 387.492 1.036 20 0 GDADMN CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574093052 949093266 /nfs/dbraw/zinc/09/32/66/949093266.db2.gz VXKYSAGPQSRPSY-LIRRHRJNSA-N 0 1 384.488 1.766 20 0 GDADMN CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001574093187 949094804 /nfs/dbraw/zinc/09/48/04/949094804.db2.gz UXXVWNHPNJVAIW-LHAWGNPOSA-N 0 1 384.459 1.844 20 0 GDADMN CC(C)(C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)[NH+]1CCCC1 ZINC001573780401 949095205 /nfs/dbraw/zinc/09/52/05/949095205.db2.gz YGUYVZMNJAOGBW-CYBMUJFWSA-N 0 1 389.529 1.493 20 0 GDADMN 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375.458 1.948 20 0 GDADMN C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001576151511 949225135 /nfs/dbraw/zinc/22/51/35/949225135.db2.gz GCRIOWRJWBYOCH-KBXIAJHMSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575255314 949225510 /nfs/dbraw/zinc/22/55/10/949225510.db2.gz ZEIJDOZPUXBWJV-KBPBESRZSA-N 0 1 386.504 1.831 20 0 GDADMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001589605168 949243852 /nfs/dbraw/zinc/24/38/52/949243852.db2.gz LSKQVSNDHKLBJQ-PXAZEXFGSA-N 0 1 383.470 1.238 20 0 GDADMN C[C@H](CNC(=O)Cc1ccccc1F)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574940632 949274804 /nfs/dbraw/zinc/27/48/04/949274804.db2.gz HSMXRYGUGKJBHB-GFCCVEGCSA-N 0 1 386.406 1.982 20 0 GDADMN CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001574455177 949302646 /nfs/dbraw/zinc/30/26/46/949302646.db2.gz MFPKYIFTCWSOQH-MQMHXKEQSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@H](CN(C)C(=O)[C@]1(C)CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574703076 949307604 /nfs/dbraw/zinc/30/76/04/949307604.db2.gz QHINWJXPHXFHAB-XLKFXECMSA-N 0 1 385.881 1.662 20 0 GDADMN C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575259139 949317654 /nfs/dbraw/zinc/31/76/54/949317654.db2.gz MKSBJJGYRINJJZ-ZFWWWQNUSA-N 0 1 383.456 1.330 20 0 GDADMN C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574703449 949327256 /nfs/dbraw/zinc/32/72/56/949327256.db2.gz BXFSLPDCGNDOFJ-CYBMUJFWSA-N 0 1 378.440 1.069 20 0 GDADMN CC(C)n1ccc(C(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001574458663 949345161 /nfs/dbraw/zinc/34/51/61/949345161.db2.gz WNCZAQMGVCBSOB-UHFFFAOYSA-N 0 1 381.444 1.178 20 0 GDADMN CC(C)n1ccc(CN[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C2CC2)n1 ZINC001574460654 949376311 /nfs/dbraw/zinc/37/63/11/949376311.db2.gz VWXZAUWVXNGPHQ-MRXNPFEDSA-N 0 1 383.460 1.270 20 0 GDADMN C[C@H](CNC(=O)Cc1cscn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574945524 949411833 /nfs/dbraw/zinc/41/18/33/949411833.db2.gz LLBTWAFTTCWZTP-ZCFIWIBFSA-N 0 1 384.878 1.592 20 0 GDADMN CC(C)n1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001574464342 949412787 /nfs/dbraw/zinc/41/27/87/949412787.db2.gz LPLMPNIRAJNQPJ-IUODEOHRSA-N 0 1 381.444 1.034 20 0 GDADMN C[C@@H](CNC(=O)Cc1cscn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574946192 949429350 /nfs/dbraw/zinc/42/93/50/949429350.db2.gz SPTSJDFCUQUMGO-JTQLQIEISA-N 0 1 375.433 1.299 20 0 GDADMN C[C@@H]1CCC[C@@H](OCC(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001576156603 949451631 /nfs/dbraw/zinc/45/16/31/949451631.db2.gz YUAICPIWOYRCTE-ZIAGYGMSSA-N 0 1 385.472 1.340 20 0 GDADMN CC(C)n1nccc1C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574469751 949480858 /nfs/dbraw/zinc/48/08/58/949480858.db2.gz GOBVFFUTAISWFY-UHFFFAOYSA-N 0 1 380.456 1.506 20 0 GDADMN CC(C)n1nccc1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574469840 949486638 /nfs/dbraw/zinc/48/66/38/949486638.db2.gz IDTXYCIPDFKZLT-BETUJISGSA-N 0 1 381.444 1.082 20 0 GDADMN C[C@@H]1CCCC[C@]1(CNCc1ccon1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576157541 949486796 /nfs/dbraw/zinc/48/67/96/949486796.db2.gz RHNSVZTUCOOFGU-KZULUSFZSA-N 0 1 384.444 1.651 20 0 GDADMN C[C@@H](NC(=O)CC(F)(F)F)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575266810 949490106 /nfs/dbraw/zinc/49/01/06/949490106.db2.gz FEHRCSPEKLKLSF-SECBINFHSA-N 0 1 386.353 1.895 20 0 GDADMN C[C@]1(C(=O)N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)CCCOC1 ZINC001575537436 949494854 /nfs/dbraw/zinc/49/48/54/949494854.db2.gz UUTGWSFFNODLCY-KXBFYZLASA-N 0 1 388.447 1.513 20 0 GDADMN C[C@H]1CCC[C@@H]1CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1 ZINC001576159037 949509231 /nfs/dbraw/zinc/50/92/31/949509231.db2.gz VYTIKYFPDDQAOZ-UONOGXRCSA-N 0 1 384.488 1.746 20 0 GDADMN CC(C)CC(=O)NC[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)CCO1 ZINC001574121408 949512656 /nfs/dbraw/zinc/51/26/56/949512656.db2.gz QBHMTMZFWFXDEQ-SECBINFHSA-N 0 1 385.881 1.344 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575538895 949533666 /nfs/dbraw/zinc/53/36/66/949533666.db2.gz KOCKGYLWEBDLKU-PXAZEXFGSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575538895 949533683 /nfs/dbraw/zinc/53/36/83/949533683.db2.gz KOCKGYLWEBDLKU-PXAZEXFGSA-N 0 1 376.486 1.435 20 0 GDADMN O=C([O-])c1ccccc1C1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC001595250195 949552314 /nfs/dbraw/zinc/55/23/14/949552314.db2.gz HCFXMKJBZXBILJ-UHFFFAOYSA-N 0 1 387.436 1.623 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574955093 949561691 /nfs/dbraw/zinc/56/16/91/949561691.db2.gz BCOAKFZCZPDOCT-IVZWLZJFSA-N 0 1 398.924 1.258 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574955093 949561708 /nfs/dbraw/zinc/56/17/08/949561708.db2.gz BCOAKFZCZPDOCT-IVZWLZJFSA-N 0 1 398.924 1.258 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574955093 949561729 /nfs/dbraw/zinc/56/17/29/949561729.db2.gz BCOAKFZCZPDOCT-IVZWLZJFSA-N 0 1 398.924 1.258 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574955093 949561751 /nfs/dbraw/zinc/56/17/51/949561751.db2.gz BCOAKFZCZPDOCT-IVZWLZJFSA-N 0 1 398.924 1.258 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956162 949570292 /nfs/dbraw/zinc/57/02/92/949570292.db2.gz GKWHXBYULJJYAY-KTUBUYFOSA-N 0 1 388.497 1.288 20 0 GDADMN C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956162 949570305 /nfs/dbraw/zinc/57/03/05/949570305.db2.gz GKWHXBYULJJYAY-KTUBUYFOSA-N 0 1 388.497 1.288 20 0 GDADMN C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574475535 949572670 /nfs/dbraw/zinc/57/26/70/949572670.db2.gz BELUELKLZUIFSW-ZJUUUORDSA-N 0 1 384.366 1.282 20 0 GDADMN C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574712479 949580625 /nfs/dbraw/zinc/58/06/25/949580625.db2.gz SRJVUCYCNNADOK-TZMCWYRMSA-N 0 1 378.440 1.067 20 0 GDADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCCc1ccccc1 ZINC001575270530 949597151 /nfs/dbraw/zinc/59/71/51/949597151.db2.gz DOGQQVGDFFMXCJ-KGLIPLIRSA-N 0 1 380.456 1.407 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnccn1 ZINC001573811762 949609914 /nfs/dbraw/zinc/60/99/14/949609914.db2.gz NIKZIWAFVRLXAL-CQSZACIVSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnccn1 ZINC001573811762 949609928 /nfs/dbraw/zinc/60/99/28/949609928.db2.gz NIKZIWAFVRLXAL-CQSZACIVSA-N 0 1 386.485 1.653 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001573812533 949617134 /nfs/dbraw/zinc/61/71/34/949617134.db2.gz SJKCXPGXJSUSKW-SWLSCSKDSA-N 0 1 392.529 1.975 20 0 GDADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001573812533 949617146 /nfs/dbraw/zinc/61/71/46/949617146.db2.gz SJKCXPGXJSUSKW-SWLSCSKDSA-N 0 1 392.529 1.975 20 0 GDADMN C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168084 949626619 /nfs/dbraw/zinc/62/66/19/949626619.db2.gz SRFXGPLDPQJXIH-PWSUYJOCSA-N 0 1 392.414 1.163 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574715038 949639153 /nfs/dbraw/zinc/63/91/53/949639153.db2.gz ADNALBCAXAFKHH-STQMWFEESA-N 0 1 378.502 1.681 20 0 GDADMN C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574715038 949639165 /nfs/dbraw/zinc/63/91/65/949639165.db2.gz ADNALBCAXAFKHH-STQMWFEESA-N 0 1 378.502 1.681 20 0 GDADMN CC(C)CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574129736 949644026 /nfs/dbraw/zinc/64/40/26/949644026.db2.gz WTLYAEWNOHWBLF-OKILXGFUSA-N 0 1 384.488 1.909 20 0 GDADMN C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574957993 949647804 /nfs/dbraw/zinc/64/78/04/949647804.db2.gz KOHOMAMBPBPQQC-CFZJUORYSA-N 0 1 378.440 1.189 20 0 GDADMN CC1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCC1 ZINC001575548368 949675175 /nfs/dbraw/zinc/67/51/75/949675175.db2.gz YNEWIHNLTRLDFU-GFCCVEGCSA-N 0 1 376.486 1.435 20 0 GDADMN CC1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCC1 ZINC001575548368 949675184 /nfs/dbraw/zinc/67/51/84/949675184.db2.gz YNEWIHNLTRLDFU-GFCCVEGCSA-N 0 1 376.486 1.435 20 0 GDADMN C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574477962 949687742 /nfs/dbraw/zinc/68/77/42/949687742.db2.gz TWQDGLUDPOXKJC-YUELXQCFSA-N 0 1 382.472 1.663 20 0 GDADMN C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574478803 949720920 /nfs/dbraw/zinc/72/09/20/949720920.db2.gz ASULXJLALYQKGL-KBPBESRZSA-N 0 1 381.444 1.147 20 0 GDADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574961027 949733159 /nfs/dbraw/zinc/73/31/59/949733159.db2.gz ZSJUBPMTROUNDO-AEGPPILISA-N 0 1 385.472 1.265 20 0 GDADMN CC(C)C[C@H](C)CC(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001574137704 949768320 /nfs/dbraw/zinc/76/83/20/949768320.db2.gz WTWQSYOOCSWGRU-RRFJBIMHSA-N 0 1 386.504 1.657 20 0 GDADMN C[C@@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCOC1 ZINC001575559922 949771288 /nfs/dbraw/zinc/77/12/88/949771288.db2.gz ZECSUAUMOQYFFJ-SUMWQHHRSA-N 0 1 376.486 1.339 20 0 GDADMN C[C@@]1(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCOC1 ZINC001575559922 949771302 /nfs/dbraw/zinc/77/13/02/949771302.db2.gz ZECSUAUMOQYFFJ-SUMWQHHRSA-N 0 1 376.486 1.339 20 0 GDADMN CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)CCCC1 ZINC001575560144 949780619 /nfs/dbraw/zinc/78/06/19/949780619.db2.gz KYENMQODQUMXST-MJBXVCDLSA-N 0 1 382.472 1.711 20 0 GDADMN C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001576171790 949783343 /nfs/dbraw/zinc/78/33/43/949783343.db2.gz SGMADVQJCQKSMR-MLGOLLRUSA-N 0 1 381.444 1.267 20 0 GDADMN C[C@H](CNC(=O)c1c(F)ccc(F)c1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574964924 949791899 /nfs/dbraw/zinc/79/18/99/949791899.db2.gz CCMUWEROBYXISK-MRVPVSSYSA-N 0 1 377.330 1.331 20 0 GDADMN CC(C)C[C@@H](C)CN1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)CO2 ZINC001574138495 949796337 /nfs/dbraw/zinc/79/63/37/949796337.db2.gz FBQHQEYQODVLJT-HIFRSBDPSA-N 0 1 387.488 1.450 20 0 GDADMN C[C@@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575281302 949808656 /nfs/dbraw/zinc/80/86/56/949808656.db2.gz FNRQJONGYBKCCT-NWDGAFQWSA-N 0 1 385.403 1.207 20 0 GDADMN C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001576172972 949825779 /nfs/dbraw/zinc/82/57/79/949825779.db2.gz VYVXCRULLRBNST-LVQVYYBASA-N 0 1 381.484 1.983 20 0 GDADMN C[C@@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574965991 949827514 /nfs/dbraw/zinc/82/75/14/949827514.db2.gz RCDFRYULCCULET-VIFPVBQESA-N 0 1 390.810 1.704 20 0 GDADMN CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574141651 949855357 /nfs/dbraw/zinc/85/53/57/949855357.db2.gz UWEJBCHUOVPYPT-TUVASFSCSA-N 0 1 384.488 1.527 20 0 GDADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1cncc(-c2nn[nH]n2)n1 ZINC001576178029 949875400 /nfs/dbraw/zinc/87/54/00/949875400.db2.gz AOQOPBJFYNESPU-RISCZKNCSA-N 0 1 382.432 1.123 20 0 GDADMN C[C@@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575568563 949891078 /nfs/dbraw/zinc/89/10/78/949891078.db2.gz ALOVXXDMTCSAOX-VBKZILBWSA-N 0 1 390.451 1.256 20 0 GDADMN C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001574484810 949903735 /nfs/dbraw/zinc/90/37/35/949903735.db2.gz OWCHORPSCKZYFS-SNVBAGLBSA-N 0 1 384.366 1.284 20 0 GDADMN C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1)C1CC1 ZINC001574487744 949938465 /nfs/dbraw/zinc/93/84/65/949938465.db2.gz BQMZFRUBUXTTRZ-SWLSCSKDSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575890421 949950738 /nfs/dbraw/zinc/95/07/38/949950738.db2.gz XNZZUCDBWROURQ-IUCAKERBSA-N 0 1 389.807 1.085 20 0 GDADMN CC(C)(C)/C=C/C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001573829291 949952059 /nfs/dbraw/zinc/95/20/59/949952059.db2.gz YDAZEZJFLTYQCM-MARQAQSISA-N 0 1 382.472 1.544 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576180796 949972058 /nfs/dbraw/zinc/97/20/58/949972058.db2.gz IZSMFOYYMDISOL-SMDDNHRTSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576180796 949972071 /nfs/dbraw/zinc/97/20/71/949972071.db2.gz IZSMFOYYMDISOL-SMDDNHRTSA-N 0 1 387.469 1.947 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)CCCOC1 ZINC001575573731 950003976 /nfs/dbraw/zinc/00/39/76/950003976.db2.gz OKGXZHCDJZEFGJ-KDOFPFPSSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@]1(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)CCCOC1 ZINC001575573731 950003998 /nfs/dbraw/zinc/00/39/98/950003998.db2.gz OKGXZHCDJZEFGJ-KDOFPFPSSA-N 0 1 390.513 1.729 20 0 GDADMN C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181438 950005314 /nfs/dbraw/zinc/00/53/14/950005314.db2.gz IFWIBEVYKBHLSX-UKRRQHHQSA-N 0 1 381.440 1.416 20 0 GDADMN C[C@@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1ccncc1 ZINC001574490813 950018297 /nfs/dbraw/zinc/01/82/97/950018297.db2.gz ZPAZOZXJWKEQPQ-SCLBCKFNSA-N 0 1 392.467 1.579 20 0 GDADMN C[C@@H](CN(C)C(=O)Cc1cccnc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574731955 950060518 /nfs/dbraw/zinc/06/05/18/950060518.db2.gz YSXNHRPPXFVRSJ-VIFPVBQESA-N 0 1 392.876 1.873 20 0 GDADMN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001575575886 950062810 /nfs/dbraw/zinc/06/28/10/950062810.db2.gz MWGDKJNYOMTEPI-LBPRGKRZSA-N 0 1 378.502 1.465 20 0 GDADMN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC001575575886 950062828 /nfs/dbraw/zinc/06/28/28/950062828.db2.gz MWGDKJNYOMTEPI-LBPRGKRZSA-N 0 1 378.502 1.465 20 0 GDADMN C[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182895 950071434 /nfs/dbraw/zinc/07/14/34/950071434.db2.gz NWUQBZJGFIXTQT-UKRRQHHQSA-N 0 1 385.472 1.007 20 0 GDADMN C[C@H](CNC(=O)C[C@H](C)c1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574492386 950080948 /nfs/dbraw/zinc/08/09/48/950080948.db2.gz AMYOCWCSDWXSMN-UONOGXRCSA-N 0 1 380.456 1.791 20 0 GDADMN C[C@]1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCCCC2)CCOC1 ZINC001575582073 950097947 /nfs/dbraw/zinc/09/79/47/950097947.db2.gz DGUZAEPHCBOVBA-SFHVURJKSA-N 0 1 385.472 1.341 20 0 GDADMN C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1nccs1 ZINC001576183746 950101528 /nfs/dbraw/zinc/10/15/28/950101528.db2.gz UJBWIEZHYSHOJZ-SMDDNHRTSA-N 0 1 386.485 1.682 20 0 GDADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)[C@@H]1CCCCN1C ZINC001574152445 950104764 /nfs/dbraw/zinc/10/47/64/950104764.db2.gz CJFDEEBTJFHNON-RDJZCZTQSA-N 0 1 386.504 1.689 20 0 GDADMN C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184144 950120266 /nfs/dbraw/zinc/12/02/66/950120266.db2.gz UOOUMTDXEPKWMW-KGLIPLIRSA-N 0 1 387.463 1.720 20 0 GDADMN CC1(C(=O)NC[C@]2(O)CCN(Cc3cc(F)ccc3-c3nn[nH]n3)C2)CCC1 ZINC001575582574 950122517 /nfs/dbraw/zinc/12/25/17/950122517.db2.gz KOAOOBXQIKDNMS-LJQANCHMSA-N 0 1 388.447 1.249 20 0 GDADMN CC1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCCCC2)CC=CC1 ZINC001575583026 950136935 /nfs/dbraw/zinc/13/69/35/950136935.db2.gz NXUVYIQWKZGXNE-UHFFFAOYSA-N 0 1 382.472 1.666 20 0 GDADMN C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576184728 950143277 /nfs/dbraw/zinc/14/32/77/950143277.db2.gz XIFWDQIUMRBPGC-LRDDRELGSA-N 0 1 382.428 1.415 20 0 GDADMN C[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOC1 ZINC001575583957 950158664 /nfs/dbraw/zinc/15/86/64/950158664.db2.gz NZWQGJMADLBWPT-KUHUBIRLSA-N 0 1 388.447 1.513 20 0 GDADMN CC(C)c1noc([C@@H](C)NC[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574983011 950196954 /nfs/dbraw/zinc/19/69/54/950196954.db2.gz ITSSYQNJBOLBCS-WDEREUQCSA-N 0 1 387.448 1.418 20 0 GDADMN CC(C)(C)CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573845151 950221676 /nfs/dbraw/zinc/22/16/76/950221676.db2.gz SXMAPBXFCIJDPH-OKILXGFUSA-N 0 1 386.504 1.992 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574157390 950232348 /nfs/dbraw/zinc/23/23/48/950232348.db2.gz AHHIPFLXOKRECR-IFXJQAMLSA-N 0 1 387.488 1.443 20 0 GDADMN C[C@@]1(C(=O)NC[C@@H]2CCN(Cc3cc(-c4nn[nH]n4)ccc3F)C2)CCOC1 ZINC001575587231 950236871 /nfs/dbraw/zinc/23/68/71/950236871.db2.gz MJJUQDGANJPYPX-ORAYPTAESA-N 0 1 388.447 1.371 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCOC1 ZINC001575589894 950270417 /nfs/dbraw/zinc/27/04/17/950270417.db2.gz YQGLUUQHKSVKGQ-AUUYWEPGSA-N 0 1 388.447 1.371 20 0 GDADMN C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCOC1 ZINC001575589894 950270435 /nfs/dbraw/zinc/27/04/35/950270435.db2.gz YQGLUUQHKSVKGQ-AUUYWEPGSA-N 0 1 388.447 1.371 20 0 GDADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574158761 950287530 /nfs/dbraw/zinc/28/75/30/950287530.db2.gz SAPMYBYXOKIQAW-GJZGRUSLSA-N 0 1 387.488 1.586 20 0 GDADMN CC1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCC2(F)F)CCC1 ZINC001575592882 950301812 /nfs/dbraw/zinc/30/18/12/950301812.db2.gz CYXWYSMIANEKMA-NSHDSACASA-N 0 1 392.414 1.425 20 0 GDADMN C[C@@H](CC(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)n1cccc1 ZINC001574501233 950326648 /nfs/dbraw/zinc/32/66/48/950326648.db2.gz BRPCPAOYQUVQGB-HNNXBMFYSA-N 0 1 379.468 1.868 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cscn1 ZINC001575907387 950333952 /nfs/dbraw/zinc/33/39/52/950333952.db2.gz NUGKDRUWDWCBLJ-ONGXEEELSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cscn1 ZINC001575907387 950333973 /nfs/dbraw/zinc/33/39/73/950333973.db2.gz NUGKDRUWDWCBLJ-ONGXEEELSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cscn1 ZINC001575907386 950334351 /nfs/dbraw/zinc/33/43/51/950334351.db2.gz NUGKDRUWDWCBLJ-MWLCHTKSSA-N 0 1 375.483 1.778 20 0 GDADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1cscn1 ZINC001575907386 950334370 /nfs/dbraw/zinc/33/43/70/950334370.db2.gz NUGKDRUWDWCBLJ-MWLCHTKSSA-N 0 1 375.483 1.778 20 0 GDADMN CC1(C(=O)NCCN2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CC1 ZINC001575594579 950339026 /nfs/dbraw/zinc/33/90/26/950339026.db2.gz VCSCOPNLTZOENO-UHFFFAOYSA-N 0 1 389.529 1.399 20 0 GDADMN CC1(C(=O)NCCN2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)CC1 ZINC001575594579 950339045 /nfs/dbraw/zinc/33/90/45/950339045.db2.gz VCSCOPNLTZOENO-UHFFFAOYSA-N 0 1 389.529 1.399 20 0 GDADMN CC(C)n1ccc(CN[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C)n1 ZINC001575909065 950387920 /nfs/dbraw/zinc/38/79/20/950387920.db2.gz FODOMCKEAYXNDK-JSGCOSHPSA-N 0 1 383.460 1.365 20 0 GDADMN CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575596886 950389343 /nfs/dbraw/zinc/38/93/43/950389343.db2.gz VWUNYMONQKEZPI-OAHLLOKOSA-N 0 1 390.451 1.504 20 0 GDADMN C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198370 950410305 /nfs/dbraw/zinc/41/03/05/950410305.db2.gz SEOOJIUDMQAIDY-GOEBONIOSA-N 0 1 384.488 1.395 20 0 GDADMN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001573861911 950457459 /nfs/dbraw/zinc/45/74/59/950457459.db2.gz KPNJNWPEOKRAOQ-ZJUUUORDSA-N 0 1 383.430 1.248 20 0 GDADMN CC(C)CC1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)CCC1 ZINC001574166677 950470698 /nfs/dbraw/zinc/47/06/98/950470698.db2.gz VOFIFVSTFLVDHS-CQSZACIVSA-N 0 1 384.488 1.602 20 0 GDADMN C[C@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204778 950475871 /nfs/dbraw/zinc/47/58/71/950475871.db2.gz RIBJUOAOUOAOPV-QWHCGFSZSA-N 0 1 375.452 1.289 20 0 GDADMN C[C@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576204778 950475883 /nfs/dbraw/zinc/47/58/83/950475883.db2.gz RIBJUOAOUOAOPV-QWHCGFSZSA-N 0 1 375.452 1.289 20 0 GDADMN C[C@@H]1[C@H](Nc2ccc(-c3nn[nH]n3)cn2)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC001575913940 950493104 /nfs/dbraw/zinc/49/31/04/950493104.db2.gz KLDCOPWICKQGSO-PSASIEDQSA-N 0 1 389.370 1.638 20 0 GDADMN CC(C)CC1(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CCC1 ZINC001574167923 950497423 /nfs/dbraw/zinc/49/74/23/950497423.db2.gz LETWEPZMTZLAPZ-NHAGDIPZSA-N 0 1 382.472 1.424 20 0 GDADMN C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001574509230 950501431 /nfs/dbraw/zinc/50/14/31/950501431.db2.gz TZIINESESDMTHQ-JHJVBQTASA-N 0 1 382.428 1.172 20 0 GDADMN CC(C)[C@H](CNC(=O)CN1CCC(C)CC1)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001576205503 950526231 /nfs/dbraw/zinc/52/62/31/950526231.db2.gz JVCZSXKJEUTQKC-INIZCTEOSA-N 0 1 386.504 1.546 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574510814 950547624 /nfs/dbraw/zinc/54/76/24/950547624.db2.gz ASAUBVRJXHIVDG-RRFJBIMHSA-N 0 1 395.471 1.371 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001573869294 950560276 /nfs/dbraw/zinc/56/02/76/950560276.db2.gz NUPYPGKTNDIEEE-LSDHHAIUSA-N 0 1 385.472 1.338 20 0 GDADMN C[C@@H](CNC(=O)c1cc(Cl)c[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574999224 950571826 /nfs/dbraw/zinc/57/18/26/950571826.db2.gz GYELAHDXVGJIJS-VIFPVBQESA-N 0 1 377.811 1.895 20 0 GDADMN CC1(C)C(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001575617267 950601229 /nfs/dbraw/zinc/60/12/29/950601229.db2.gz ZFYSPYBYSSBOCG-LBPRGKRZSA-N 0 1 384.488 1.672 20 0 GDADMN CC(C)CCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001574173720 950602444 /nfs/dbraw/zinc/60/24/44/950602444.db2.gz MCYXKNPTRFPIME-GJZGRUSLSA-N 0 1 384.488 1.910 20 0 GDADMN CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001573873118 950639917 /nfs/dbraw/zinc/63/99/17/950639917.db2.gz GFJHYMQMBDFUGJ-IKGGRYGDSA-N 0 1 384.484 1.903 20 0 GDADMN CC(C)(C)OCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573873295 950640631 /nfs/dbraw/zinc/64/06/31/950640631.db2.gz HJRHQHZREOBAGC-HALDLXJZSA-N 0 1 388.447 1.367 20 0 GDADMN CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001575922127 950646718 /nfs/dbraw/zinc/64/67/18/950646718.db2.gz OUFRFVYSZUCTCI-CHWSQXEVSA-N 0 1 381.444 1.176 20 0 GDADMN C[C@H](CN(C)C(=O)c1cccc(F)c1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574759898 950648590 /nfs/dbraw/zinc/64/85/90/950648590.db2.gz PVTMMYQOMCEHHS-SECBINFHSA-N 0 1 390.810 1.444 20 0 GDADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)C1CC1 ZINC001574518750 950659618 /nfs/dbraw/zinc/65/96/18/950659618.db2.gz QWPAGDJQYCDGSM-MYRBDLLGSA-N 0 1 384.459 1.988 20 0 GDADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1=O ZINC001589744868 950673589 /nfs/dbraw/zinc/67/35/89/950673589.db2.gz IECIYGFMHKHROZ-TZMCWYRMSA-N 0 1 375.425 1.362 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cccn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574760709 950675090 /nfs/dbraw/zinc/67/50/90/950675090.db2.gz YIRYYSWXEYHECR-QMMMGPOBSA-N 0 1 380.865 1.888 20 0 GDADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925210 950678656 /nfs/dbraw/zinc/67/86/56/950678656.db2.gz GPASDOHIRFTCKB-RISCZKNCSA-N 0 1 391.439 1.066 20 0 GDADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccccc1Cl ZINC001575926277 950704614 /nfs/dbraw/zinc/70/46/14/950704614.db2.gz XFBQPKZJVHUXTN-ZWNOBZJWSA-N 0 1 384.831 1.447 20 0 GDADMN CC(C)CCC(=O)NCCN1CCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001574180045 950716794 /nfs/dbraw/zinc/71/67/94/950716794.db2.gz OVJPRZMOFBGVPT-UHFFFAOYSA-N 0 1 385.516 1.537 20 0 GDADMN C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576215917 950721226 /nfs/dbraw/zinc/72/12/26/950721226.db2.gz CFIXPPPQYJCFAF-QWRGUYRKSA-N 0 1 392.414 1.020 20 0 GDADMN C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574763650 950728022 /nfs/dbraw/zinc/72/80/22/950728022.db2.gz HFZGQGSVKUTDKI-LBPRGKRZSA-N 0 1 381.444 1.178 20 0 GDADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576216674 950739618 /nfs/dbraw/zinc/73/96/18/950739618.db2.gz FEXSYVQRDJFDHD-NEPJUHHUSA-N 0 1 391.426 1.625 20 0 GDADMN CC(C)CCC(=O)NC[C@]1(O)CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001574181994 950752135 /nfs/dbraw/zinc/75/21/35/950752135.db2.gz RGJMTKXAWFMUBN-LJQANCHMSA-N 0 1 390.463 1.495 20 0 GDADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CN[C@H](C)c1nc(C2CC2)no1 ZINC001575008770 950755041 /nfs/dbraw/zinc/75/50/41/950755041.db2.gz HTUQDBLVWMSJNL-NXEZZACHSA-N 0 1 385.432 1.172 20 0 GDADMN CC(C)CCC(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]21 ZINC001574184153 950773858 /nfs/dbraw/zinc/77/38/58/950773858.db2.gz GGKCQTSPVDEBFK-JZYVYDRUSA-N 0 1 381.893 1.964 20 0 GDADMN C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)Cc1ccn[nH]1 ZINC001575930188 950790763 /nfs/dbraw/zinc/79/07/63/950790763.db2.gz DVAMDEBWEIFWEU-TVQRCGJNSA-N 0 1 387.835 1.282 20 0 GDADMN CC1(C)CC(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001575632503 950799022 /nfs/dbraw/zinc/79/90/22/950799022.db2.gz KBZQPOWREOFALO-CQSZACIVSA-N 0 1 384.488 1.958 20 0 GDADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1ccnnc1 ZINC001575931121 950799812 /nfs/dbraw/zinc/79/98/12/950799812.db2.gz GWTQSBMPNVSPOQ-IONNQARKSA-N 0 1 391.848 1.482 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C1=CCOCC1 ZINC001574524454 950857681 /nfs/dbraw/zinc/85/76/81/950857681.db2.gz WNKIHUAHNAWTPI-RYUDHWBXSA-N 0 1 376.486 1.648 20 0 GDADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)C1=CCOCC1 ZINC001574524454 950857701 /nfs/dbraw/zinc/85/77/01/950857701.db2.gz WNKIHUAHNAWTPI-RYUDHWBXSA-N 0 1 376.486 1.648 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)C[C@@H](O)c1ccccc1F ZINC001575012185 950884739 /nfs/dbraw/zinc/88/47/39/950884739.db2.gz XPBNBHGFFALEKN-BDJLRTHQSA-N 0 1 387.419 1.118 20 0 GDADMN CC(C)(CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)CC(F)F ZINC001573895888 950943832 /nfs/dbraw/zinc/94/38/32/950943832.db2.gz FGPGKAUYNXPRQT-UHFFFAOYSA-N 0 1 380.403 1.377 20 0 GDADMN C[C@H](C[C@H](C)NCc1nn(C)cc1Cl)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574529558 950950542 /nfs/dbraw/zinc/95/05/42/950950542.db2.gz RCPGSSNZZXXLKP-VHSXEESVSA-N 0 1 391.867 1.268 20 0 GDADMN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)c1ncccc1[O-] ZINC001574530249 950974621 /nfs/dbraw/zinc/97/46/21/950974621.db2.gz ULFFDHOIIWMHOU-CHWSQXEVSA-N 0 1 381.440 1.654 20 0 GDADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N[C@@H](C)c1cc(F)ccc1F ZINC001575017282 950985950 /nfs/dbraw/zinc/98/59/50/950985950.db2.gz JJKSOXAICTYXHL-ZJUUUORDSA-N 0 1 375.383 1.942 20 0 GDADMN CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573899825 950988306 /nfs/dbraw/zinc/98/83/06/950988306.db2.gz KOZRYFNEPKJJSE-VIFPVBQESA-N 0 1 384.366 1.330 20 0 GDADMN C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575022714 951071140 /nfs/dbraw/zinc/07/11/40/951071140.db2.gz INRNPCGBYSLYDE-MRVPVSSYSA-N 0 1 378.849 1.626 20 0 GDADMN C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024451 951105377 /nfs/dbraw/zinc/10/53/77/951105377.db2.gz DYYJYDGOTGPUMV-MRVPVSSYSA-N 0 1 376.783 1.102 20 0 GDADMN C[C@H](CNC(=O)c1cccc(-n2cccc2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575026385 951143094 /nfs/dbraw/zinc/14/30/94/951143094.db2.gz IKHMOUYQOXRUSC-CQSZACIVSA-N 0 1 388.435 1.705 20 0 GDADMN CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC001591997905 951274040 /nfs/dbraw/zinc/27/40/40/951274040.db2.gz ILJZRXPGMHBDIA-CRAIPNDOSA-N 0 1 384.436 1.442 20 0 GDADMN CC(C)(C)C[N@@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)[O-] ZINC001602867448 971731164 /nfs/dbraw/zinc/73/11/64/971731164.db2.gz REHSILOLSAFXFS-UHFFFAOYSA-N 0 1 385.505 1.889 20 0 GDADMN C[C@@H](CNC(=O)c1ccn(C)n1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575036709 951302084 /nfs/dbraw/zinc/30/20/84/951302084.db2.gz WLGFFXCOGIRRLZ-ZETCQYMHSA-N 0 1 381.853 1.188 20 0 GDADMN CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)[O-] ZINC000389849358 951362302 /nfs/dbraw/zinc/36/23/02/951362302.db2.gz UGVKYZDMQYQGIH-ZWKOTPCHSA-N 0 1 377.485 1.934 20 0 GDADMN C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575044628 951415803 /nfs/dbraw/zinc/41/58/03/951415803.db2.gz SWPXSOMYUDLZRN-JTQLQIEISA-N 0 1 384.469 1.850 20 0 GDADMN C[C@H](CNC(=O)c1cncc(F)c1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575046956 951450752 /nfs/dbraw/zinc/45/07/52/951450752.db2.gz VSBZDVMOTLLREI-ZCFIWIBFSA-N 0 1 382.812 1.741 20 0 GDADMN C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575056296 951519275 /nfs/dbraw/zinc/51/92/75/951519275.db2.gz GYCDRSQZGSYZJL-JTQLQIEISA-N 0 1 385.432 1.197 20 0 GDADMN CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575068575 951636444 /nfs/dbraw/zinc/63/64/44/951636444.db2.gz BEOQFEVWKZFUSB-SNVBAGLBSA-N 0 1 387.473 1.137 20 0 GDADMN CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575069236 951642259 /nfs/dbraw/zinc/64/22/59/951642259.db2.gz HJUZYEBIXSUAGR-JTQLQIEISA-N 0 1 387.473 1.137 20 0 GDADMN C[C@@H](CNC(=O)c1sccc1CN(C)C)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001575069329 951642422 /nfs/dbraw/zinc/64/24/22/951642422.db2.gz HUOCMTSDDRGKAS-NSHDSACASA-N 0 1 386.485 1.615 20 0 GDADMN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)c1ncccc1[O-] ZINC001575079833 951697528 /nfs/dbraw/zinc/69/75/28/951697528.db2.gz GYTYTDCOZOQQJK-NSHDSACASA-N 0 1 385.403 1.357 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCc1ccon1 ZINC001575089502 951750444 /nfs/dbraw/zinc/75/04/44/951750444.db2.gz GGUWMVSWVPLCRR-GFCCVEGCSA-N 0 1 387.419 1.563 20 0 GDADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)COC(C)(C)C ZINC001575091750 951781928 /nfs/dbraw/zinc/78/19/28/951781928.db2.gz XNKWXIJGXUGTRE-LBPRGKRZSA-N 0 1 378.452 1.757 20 0 GDADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1cncs1 ZINC001575091777 951783909 /nfs/dbraw/zinc/78/39/09/951783909.db2.gz XXTDVERHLQGMIL-LLVKDONJSA-N 0 1 389.460 1.642 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001575098387 951822469 /nfs/dbraw/zinc/82/24/69/951822469.db2.gz CBLNTSQYTDFYMN-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001575098387 951822474 /nfs/dbraw/zinc/82/24/74/951822474.db2.gz CBLNTSQYTDFYMN-OCCSQVGLSA-N 0 1 390.513 1.681 20 0 GDADMN C[C@H](CNC(=O)c1ocnc1C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099051 951830521 /nfs/dbraw/zinc/83/05/21/951830521.db2.gz HWYLLBYZFYUBOG-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](CNC(=O)c1ocnc1C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099051 951830530 /nfs/dbraw/zinc/83/05/30/951830530.db2.gz HWYLLBYZFYUBOG-JTQLQIEISA-N 0 1 387.469 1.949 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1ccccn1 ZINC001575099583 951837999 /nfs/dbraw/zinc/83/79/99/951837999.db2.gz NKDVSZMDUILXDF-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1ccccn1 ZINC001575099583 951838005 /nfs/dbraw/zinc/83/80/05/951838005.db2.gz NKDVSZMDUILXDF-CYBMUJFWSA-N 0 1 385.497 1.893 20 0 GDADMN C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575141502 952144824 /nfs/dbraw/zinc/14/48/24/952144824.db2.gz HPTOGGAJTJNJPR-KBPBESRZSA-N 0 1 380.456 1.216 20 0 GDADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575143364 952151438 /nfs/dbraw/zinc/15/14/38/952151438.db2.gz PAAWNZWQBYTDRQ-SECBINFHSA-N 0 1 384.366 1.070 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccsc1Cl ZINC001575143910 952159413 /nfs/dbraw/zinc/15/94/13/952159413.db2.gz DPEDOWIDYVQUKO-QMMMGPOBSA-N 0 1 378.849 1.366 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575144027 952161289 /nfs/dbraw/zinc/16/12/89/952161289.db2.gz FQJHWVLXBMGPJA-SFHVURJKSA-N 0 1 382.428 1.001 20 0 GDADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575144741 952170302 /nfs/dbraw/zinc/17/03/02/952170302.db2.gz XTEGMPDKEJRQNX-WDEREUQCSA-N 0 1 380.403 1.163 20 0 GDADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575144887 952173704 /nfs/dbraw/zinc/17/37/04/952173704.db2.gz NDLGXAZSURHBGK-LJQANCHMSA-N 0 1 385.472 1.340 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575145391 952183043 /nfs/dbraw/zinc/18/30/43/952183043.db2.gz XAHBRYLTRYOEES-CYBMUJFWSA-N 0 1 380.456 1.315 20 0 GDADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575145452 952184521 /nfs/dbraw/zinc/18/45/21/952184521.db2.gz XWMFTXIWAKEQFA-DJJJIMSYSA-N 0 1 385.472 1.197 20 0 GDADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575145509 952186414 /nfs/dbraw/zinc/18/64/14/952186414.db2.gz YVUDNEVNEYPWRC-CYBMUJFWSA-N 0 1 387.488 1.395 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CCc2ccccc21 ZINC001575146402 952194599 /nfs/dbraw/zinc/19/45/99/952194599.db2.gz KCVVFCFOXROMHZ-AWEZNQCLSA-N 0 1 392.467 1.005 20 0 GDADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)COc1ccccc1F ZINC001575147850 952201247 /nfs/dbraw/zinc/20/12/47/952201247.db2.gz WJWMFQDENSDZHM-LBPRGKRZSA-N 0 1 385.403 1.161 20 0 GDADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C2 ZINC001595190886 952280654 /nfs/dbraw/zinc/28/06/54/952280654.db2.gz SOYSRVNGXCXSKK-NKFCBESUSA-N 0 1 376.236 1.766 20 0 GDADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575164090 952286502 /nfs/dbraw/zinc/28/65/02/952286502.db2.gz BJRGEOIEOIBXOZ-DTWKUNHWSA-N 0 1 385.881 1.662 20 0 GDADMN CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)[O-])CC2)C12CCOCC2 ZINC001602902550 971825510 /nfs/dbraw/zinc/82/55/10/971825510.db2.gz BUUIHJOPXUUICK-HOTGVXAUSA-N 0 1 397.516 1.587 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001575177125 952397038 /nfs/dbraw/zinc/39/70/38/952397038.db2.gz GSSQZLDRILLGPH-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001575177125 952397042 /nfs/dbraw/zinc/39/70/42/952397042.db2.gz GSSQZLDRILLGPH-BDAKNGLRSA-N 0 1 384.897 1.330 20 0 GDADMN C[C@@H](Cc1ccco1)C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575196188 952474483 /nfs/dbraw/zinc/47/44/83/952474483.db2.gz FGKJCLHWFHLERS-LBPRGKRZSA-N 0 1 382.428 1.214 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575196876 952478219 /nfs/dbraw/zinc/47/82/19/952478219.db2.gz KJVCEGWOWYRJAR-IYXRBSQSSA-N 0 1 381.440 1.462 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)ns1 ZINC001571116889 952478772 /nfs/dbraw/zinc/47/87/72/952478772.db2.gz FNBPZNAMKKNEHS-JTQLQIEISA-N 0 1 375.483 1.697 20 0 GDADMN Cc1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)ns1 ZINC001571116889 952478773 /nfs/dbraw/zinc/47/87/73/952478773.db2.gz FNBPZNAMKKNEHS-JTQLQIEISA-N 0 1 375.483 1.697 20 0 GDADMN C[C@H](Cc1ccco1)C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575197648 952486319 /nfs/dbraw/zinc/48/63/19/952486319.db2.gz YIMVXIWGGQTHEH-CQSZACIVSA-N 0 1 380.452 1.887 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCCN(C)c1ncccc1-c1nn[nH]n1 ZINC001575201192 952502254 /nfs/dbraw/zinc/50/22/54/952502254.db2.gz HMDUREUUGNIGEB-CYBMUJFWSA-N 0 1 383.460 1.148 20 0 GDADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@@]2(C1)CCCN(C/C=C/Cl)C2 ZINC001571120940 952512201 /nfs/dbraw/zinc/51/22/01/952512201.db2.gz SEQJEAYDGWJZRL-RTZWDOBSSA-N 0 1 375.864 1.875 20 0 GDADMN O=C(Cc1cncs1)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121107 952514090 /nfs/dbraw/zinc/51/40/90/952514090.db2.gz WGMGTPXZOAZBNI-SNVBAGLBSA-N 0 1 375.483 1.318 20 0 GDADMN O=C(NC[C@@H]1CCN1Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCC(F)(F)C1 ZINC001571121294 952519427 /nfs/dbraw/zinc/51/94/27/952519427.db2.gz XUHAQLGUMZATGU-OCCSQVGLSA-N 0 1 376.411 1.993 20 0 GDADMN CC(C)[C@H](F)C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571121665 952520318 /nfs/dbraw/zinc/52/03/18/952520318.db2.gz BJMUHCLJFZBEKK-OCCSQVGLSA-N 0 1 376.440 1.113 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCCNc1cccc(F)c1-c1nn[nH]n1 ZINC001575203518 952523812 /nfs/dbraw/zinc/52/38/12/952523812.db2.gz ZAJQEIODWPREJY-GFCCVEGCSA-N 0 1 386.435 1.868 20 0 GDADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575203486 952524076 /nfs/dbraw/zinc/52/40/76/952524076.db2.gz YKMQZTUDFUHWCR-LLVKDONJSA-N 0 1 386.485 1.173 20 0 GDADMN C[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571123073 952527790 /nfs/dbraw/zinc/52/77/90/952527790.db2.gz NPXLIHKVESNWML-KCJUWKMLSA-N 0 1 376.471 1.030 20 0 GDADMN C[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571123073 952527794 /nfs/dbraw/zinc/52/77/94/952527794.db2.gz NPXLIHKVESNWML-KCJUWKMLSA-N 0 1 376.471 1.030 20 0 GDADMN O=C(c1cnns1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571124090 952533746 /nfs/dbraw/zinc/53/37/46/952533746.db2.gz YTKYTXBGIIXNOM-SECBINFHSA-N 0 1 376.471 1.174 20 0 GDADMN O=C(c1cnns1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571124090 952533750 /nfs/dbraw/zinc/53/37/50/952533750.db2.gz YTKYTXBGIIXNOM-SECBINFHSA-N 0 1 376.471 1.174 20 0 GDADMN C[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001571124173 952535304 /nfs/dbraw/zinc/53/53/04/952535304.db2.gz ACBYYUWTQDJKOL-NQBHXWOUSA-N 0 1 377.399 1.496 20 0 GDADMN CC(F)(F)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575212933 952556655 /nfs/dbraw/zinc/55/66/55/952556655.db2.gz ORUPZJZPEDYOSO-HNNXBMFYSA-N 0 1 386.428 1.027 20 0 GDADMN CC(F)(F)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575212933 952556658 /nfs/dbraw/zinc/55/66/58/952556658.db2.gz ORUPZJZPEDYOSO-HNNXBMFYSA-N 0 1 386.428 1.027 20 0 GDADMN CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001575214919 952566190 /nfs/dbraw/zinc/56/61/90/952566190.db2.gz PLQUATSFKLNCQB-CYBMUJFWSA-N 0 1 379.415 1.672 20 0 GDADMN O=C(Cc1cccnc1)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571128414 952567240 /nfs/dbraw/zinc/56/72/40/952567240.db2.gz SZFUJJGSFIKPFE-GOSISDBHSA-N 0 1 377.452 1.585 20 0 GDADMN Cc1ncccc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571128924 952571955 /nfs/dbraw/zinc/57/19/55/952571955.db2.gz YTCXXONUCOSXNI-OAHLLOKOSA-N 0 1 377.452 1.822 20 0 GDADMN Cc1cnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C2)cn1 ZINC001571134093 952584471 /nfs/dbraw/zinc/58/44/71/952584471.db2.gz DNKSREMFSQZXCX-HNNXBMFYSA-N 0 1 378.440 1.217 20 0 GDADMN C[N@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCCN1C(=O)c1cnccn1 ZINC001571134174 952585983 /nfs/dbraw/zinc/58/59/83/952585983.db2.gz BNTNYEBLQDFQKL-OAHLLOKOSA-N 0 1 378.440 1.393 20 0 GDADMN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1 ZINC001571134220 952587295 /nfs/dbraw/zinc/58/72/95/952587295.db2.gz CBWXZUPSWFQSKJ-UKRRQHHQSA-N 0 1 378.440 1.285 20 0 GDADMN Cc1cnccc1C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571134267 952588296 /nfs/dbraw/zinc/58/82/96/952588296.db2.gz GUAGZYQTESSLFE-UONOGXRCSA-N 0 1 378.440 1.398 20 0 GDADMN Cc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc(C)n1 ZINC001571135063 952599356 /nfs/dbraw/zinc/59/93/56/952599356.db2.gz OXMBKOQCTPPORP-APPDUMDISA-N 0 1 378.440 1.268 20 0 GDADMN Cc1cncc(CC(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571135514 952604571 /nfs/dbraw/zinc/60/45/71/952604571.db2.gz ZQTSPXFNBBBAFE-HNNXBMFYSA-N 0 1 378.440 1.033 20 0 GDADMN Cc1conc1C(=O)N1C[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571140105 952623270 /nfs/dbraw/zinc/62/32/70/952623270.db2.gz ABANCZMTDFDKTP-HZPDHXFCSA-N 0 1 379.424 1.510 20 0 GDADMN Cc1ncncc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C ZINC001571141066 952630542 /nfs/dbraw/zinc/63/05/42/952630542.db2.gz GHNNIDDUPCDAPS-DYVFJYSZSA-N 0 1 378.440 1.358 20 0 GDADMN O=C(N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)c1ncoc1C1CC1 ZINC001571142034 952638066 /nfs/dbraw/zinc/63/80/66/952638066.db2.gz OEPGTVNICZISAB-AWEZNQCLSA-N 0 1 379.424 1.736 20 0 GDADMN O=C(NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571142609 952643821 /nfs/dbraw/zinc/64/38/21/952643821.db2.gz YCUVOCLXNVPHDM-NWINJMCUSA-N 0 1 379.424 1.387 20 0 GDADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CC[C@@H]1NC(=O)c1cccnc1 ZINC001571146993 952655070 /nfs/dbraw/zinc/65/50/70/952655070.db2.gz FVXRQBFNBHENFH-ZDUSSCGKSA-N 0 1 379.428 1.087 20 0 GDADMN Cc1nc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2ccn[nH]2)C3)ccc1-c1nn[nH]n1 ZINC001571147265 952659837 /nfs/dbraw/zinc/65/98/37/952659837.db2.gz WDWDZQPSQGBUPA-XQQFMLRXSA-N 0 1 379.428 1.398 20 0 GDADMN Cc1nc(N2CC[C@]3(CCN(C(=O)c4ccn[nH]4)C3)C2)ccc1-c1nn[nH]n1 ZINC001571147489 952661629 /nfs/dbraw/zinc/66/16/29/952661629.db2.gz ZUKZFHIYYOQCDC-SFHVURJKSA-N 0 1 379.428 1.036 20 0 GDADMN C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1c2ccccc2sc1-c1nn[nH]n1 ZINC001571150663 952669620 /nfs/dbraw/zinc/66/96/20/952669620.db2.gz DPFXYIGKUDNPKI-VHSXEESVSA-N 0 1 379.467 1.473 20 0 GDADMN Cc1cnccc1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571157996 952709116 /nfs/dbraw/zinc/70/91/16/952709116.db2.gz PPLSQWQQGOPAOR-UHFFFAOYSA-N 0 1 379.428 1.149 20 0 GDADMN Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cc(C)[nH+]cc2-c2nnn[n-]2)no1 ZINC001571158243 952709752 /nfs/dbraw/zinc/70/97/52/952709752.db2.gz FTKBWFIWMMKDIQ-KYOSRNDESA-N 0 1 380.412 1.406 20 0 GDADMN Cc1cocc1C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571161277 952731924 /nfs/dbraw/zinc/73/19/24/952731924.db2.gz UEAMOKIBFNCSBR-CHWSQXEVSA-N 0 1 380.412 1.133 20 0 GDADMN O=C(c1coc(C2CCC2)n1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571162105 952738248 /nfs/dbraw/zinc/73/82/48/952738248.db2.gz KFXPYSRJBJHWMQ-GFCCVEGCSA-N 0 1 380.412 1.266 20 0 GDADMN Cc1cc(CCC(=O)N2CC[C@H](N(C)c3cccc(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001571169360 952772693 /nfs/dbraw/zinc/77/26/93/952772693.db2.gz ASGJVHBFSOPJOY-KRWDZBQOSA-N 0 1 380.456 1.568 20 0 GDADMN Cc1cc(N2CC[C@@H](NC(=O)c3ccc[nH]3)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571169606 952775901 /nfs/dbraw/zinc/77/59/01/952775901.db2.gz HSRWQHFIPUOYJY-MRXNPFEDSA-N 0 1 380.456 1.933 20 0 GDADMN 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IIZOWGHADIBDIW-URHBZAFASA-N 0 1 383.850 1.201 20 0 GDADMN COc1cccc2c1OCCC[C@@H]2NC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001571238151 953225310 /nfs/dbraw/zinc/22/53/10/953225310.db2.gz VNKRCZSGSXXGMU-PWSUYJOCSA-N 0 1 384.400 1.058 20 0 GDADMN Cc1nc[nH]c1C(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1C ZINC001571238905 953234059 /nfs/dbraw/zinc/23/40/59/953234059.db2.gz BYOAVXCGTYKBSF-IINYFYTJSA-N 0 1 384.419 1.430 20 0 GDADMN CCn1nccc1C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571238965 953234460 /nfs/dbraw/zinc/23/44/60/953234460.db2.gz DETKLSMTWHCSRL-CQSZACIVSA-N 0 1 384.419 1.227 20 0 GDADMN Cn1ccc(C(=O)NC2CCN(Cc3cc(F)ccc3-c3nn[nH]n3)CC2)n1 ZINC001571242146 953253930 /nfs/dbraw/zinc/25/39/30/953253930.db2.gz VMQWYWSHTFLXPB-UHFFFAOYSA-N 0 1 384.419 1.134 20 0 GDADMN Cc1cc(N2CCC[C@@H](NC(=O)Cc3cscn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571244783 953266553 /nfs/dbraw/zinc/26/65/53/953266553.db2.gz IMXWIWINIVUGOC-GFCCVEGCSA-N 0 1 384.469 1.354 20 0 GDADMN CCc1ncsc1C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571245180 953270461 /nfs/dbraw/zinc/27/04/61/953270461.db2.gz OYCZEJYGNCNPEA-LLVKDONJSA-N 0 1 384.469 1.419 20 0 GDADMN Cc1ncc(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)s1 ZINC001571245614 953275297 /nfs/dbraw/zinc/27/52/97/953275297.db2.gz WYTYUCASMAICHS-GFCCVEGCSA-N 0 1 384.469 1.734 20 0 GDADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2ccns2)C1 ZINC001571246109 953279940 /nfs/dbraw/zinc/27/99/40/953279940.db2.gz TURSOYSIESSLFM-NEPJUHHUSA-N 0 1 384.469 1.493 20 0 GDADMN O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)c1cncnc1 ZINC001571247760 953286526 /nfs/dbraw/zinc/28/65/26/953286526.db2.gz DIAQMOAYKXGMFS-STQMWFEESA-N 0 1 384.469 1.549 20 0 GDADMN O=C(N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)c1cncnc1 ZINC001571247760 953286529 /nfs/dbraw/zinc/28/65/29/953286529.db2.gz DIAQMOAYKXGMFS-STQMWFEESA-N 0 1 384.469 1.549 20 0 GDADMN C[C@@H]1CC[C@@H](CC(=O)N(C)C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571249001 953299871 /nfs/dbraw/zinc/29/98/71/953299871.db2.gz AOSFSPISGKGHHZ-ZIAGYGMSSA-N 0 1 384.488 1.910 20 0 GDADMN Cc1nc(CNC[C@@H]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)oc1C ZINC001571249359 953304163 /nfs/dbraw/zinc/30/41/63/953304163.db2.gz OVPKTAIBLMLVQV-OCCSQVGLSA-N 0 1 384.444 1.488 20 0 GDADMN C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571251419 953317322 /nfs/dbraw/zinc/31/73/22/953317322.db2.gz XKYCFSYLQRZDKD-CABCVRRESA-N 0 1 384.488 1.254 20 0 GDADMN CN(C[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571252422 953328760 /nfs/dbraw/zinc/32/87/60/953328760.db2.gz MGPBIINSKWHLSZ-ZIAGYGMSSA-N 0 1 384.488 1.768 20 0 GDADMN Cc1nc(N2CC[C@H](N(C)C(=O)[C@@H]3CCCCN3C)C2)ccc1-c1nn[nH]n1 ZINC001571252866 953334141 /nfs/dbraw/zinc/33/41/41/953334141.db2.gz XMINUDZKMALTTA-HOCLYGCPSA-N 0 1 384.488 1.092 20 0 GDADMN O=S(=O)(NCc1ccc(Br)cn1)c1ccc(-c2nn[nH]n2)o1 ZINC001571254354 953338088 /nfs/dbraw/zinc/33/80/88/953338088.db2.gz CJMKHWFKDBUOPN-UHFFFAOYSA-N 0 1 385.203 1.096 20 0 GDADMN C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000519154473 953548588 /nfs/dbraw/zinc/54/85/88/953548588.db2.gz NYWPBNZAFYFUEB-YCPHGPKFSA-N 0 1 376.453 1.548 20 0 GDADMN C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563127080 953594869 /nfs/dbraw/zinc/59/48/69/953594869.db2.gz VVVIPRCPHSOZTP-PMPSAXMXSA-N 0 1 375.469 1.472 20 0 GDADMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000583812073 953731209 /nfs/dbraw/zinc/73/12/09/953731209.db2.gz PDDIGUMAAYVKQU-VXGBXAGGSA-N 0 1 377.397 1.291 20 0 GDADMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001589306129 953742564 /nfs/dbraw/zinc/74/25/64/953742564.db2.gz VIIQVWPYTSONFO-GJZGRUSLSA-N 0 1 383.489 1.641 20 0 GDADMN COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000600699438 953783046 /nfs/dbraw/zinc/78/30/46/953783046.db2.gz GAMPLRFCSUJWEN-NHYWBVRUSA-N 0 1 392.408 1.241 20 0 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ZINC000820788565 606777784 /nfs/dbraw/zinc/77/77/84/606777784.db2.gz JQKZYBRXBTWTJK-HNNXBMFYSA-N 0 1 382.476 1.234 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCCCCn1cccn1 ZINC000820788565 606777785 /nfs/dbraw/zinc/77/77/85/606777785.db2.gz JQKZYBRXBTWTJK-HNNXBMFYSA-N 0 1 382.476 1.234 20 0 GDADMN C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCCCCn1cccn1 ZINC000820788565 606777787 /nfs/dbraw/zinc/77/77/87/606777787.db2.gz JQKZYBRXBTWTJK-HNNXBMFYSA-N 0 1 382.476 1.234 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000820803458 606782760 /nfs/dbraw/zinc/78/27/60/606782760.db2.gz AHQDQZGJXLUCAT-CQSZACIVSA-N 0 1 376.468 1.856 20 0 GDADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000820803458 606782761 /nfs/dbraw/zinc/78/27/61/606782761.db2.gz AHQDQZGJXLUCAT-CQSZACIVSA-N 0 1 376.468 1.856 20 0 GDADMN CCc1[nH]ncc1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000821461215 606806922 /nfs/dbraw/zinc/80/69/22/606806922.db2.gz MLBRBZYTIRKHLJ-UHFFFAOYSA-N 0 1 382.428 1.366 20 0 GDADMN COC(=O)C[C@H]1CSCCN1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000821660314 606822356 /nfs/dbraw/zinc/82/23/56/606822356.db2.gz MVNNWKOMAPMNDS-JTQLQIEISA-N 0 1 396.498 1.237 20 0 GDADMN CC(C)OCc1ccccc1CNC(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000820145603 606824279 /nfs/dbraw/zinc/82/42/79/606824279.db2.gz BSOWFHXUPUXDKW-UHFFFAOYSA-N 0 1 382.424 1.270 20 0 GDADMN O=C(NCCc1nc[nH]n1)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000823229444 606835154 /nfs/dbraw/zinc/83/51/54/606835154.db2.gz RSIQZNGLEOFYCU-UHFFFAOYSA-N 0 1 392.383 1.536 20 0 GDADMN O=S(=O)(N[C@@H]1CCOc2ccccc21)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572282 606885336 /nfs/dbraw/zinc/88/53/36/606885336.db2.gz FVLBHCDNVPVZKX-CYBMUJFWSA-N 0 1 393.375 1.947 20 0 GDADMN C[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000820438612 606889557 /nfs/dbraw/zinc/88/95/57/606889557.db2.gz SYZFPMHRXGDLDM-SSDOTTSWSA-N 0 1 389.384 1.153 20 0 GDADMN CC(C)OC(=O)[C@@H](C)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820137139 606893131 /nfs/dbraw/zinc/89/31/31/606893131.db2.gz GGFMCDALFXRJII-QMMMGPOBSA-N 0 1 389.384 1.011 20 0 GDADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)Oc3ccc(-c4nn[nH]n4)cc3)n2)o1 ZINC000822213814 606968167 /nfs/dbraw/zinc/96/81/67/606968167.db2.gz BMSOCWRCNCHFJB-JTQLQIEISA-N 0 1 380.368 1.959 20 0 GDADMN O=S(=O)(Nc1ccc(Br)nc1)c1cccc(-c2nn[nH]n2)c1 ZINC000823589077 606981108 /nfs/dbraw/zinc/98/11/08/606981108.db2.gz LVSPULGQDMFMPR-UHFFFAOYSA-N 0 1 381.215 1.825 20 0 GDADMN O=c1[nH]nc(SCc2cc(F)ccc2-c2nn[nH]n2)n1C[C@H]1CCCO1 ZINC000823657128 607038939 /nfs/dbraw/zinc/03/89/39/607038939.db2.gz ODIXKUFPHIBURY-LLVKDONJSA-N 0 1 377.405 1.774 20 0 GDADMN CCc1nc([C@H]2CN(C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)CCO2)n[nH]1 ZINC000821505445 607066284 /nfs/dbraw/zinc/06/62/84/607066284.db2.gz QHSDKWRMLQPWRY-CYBMUJFWSA-N 0 1 383.416 1.461 20 0 GDADMN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000820716595 607098335 /nfs/dbraw/zinc/09/83/35/607098335.db2.gz JVGHRPNBOKTWGY-JKIFEVAISA-N 0 1 380.456 1.973 20 0 GDADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOC3(CCC3)C2)cc1-c1nn[nH]n1 ZINC000821978290 607168865 /nfs/dbraw/zinc/16/88/65/607168865.db2.gz LJNDCNZMAAMZQN-VIFPVBQESA-N 0 1 376.442 1.521 20 0 GDADMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)n[nH]1 ZINC000822200068 607184908 /nfs/dbraw/zinc/18/49/08/607184908.db2.gz SOWZOEKTYDSPQF-MRVPVSSYSA-N 0 1 388.819 1.238 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000823123298 607208381 /nfs/dbraw/zinc/20/83/81/607208381.db2.gz WOOYHBHWHZXMRG-UHFFFAOYSA-N 0 1 393.386 1.395 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000821154068 607209454 /nfs/dbraw/zinc/20/94/54/607209454.db2.gz IIXQWIIKXIKSGJ-GDBMZVCRSA-N 0 1 395.471 1.142 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000821154068 607209455 /nfs/dbraw/zinc/20/94/55/607209455.db2.gz IIXQWIIKXIKSGJ-GDBMZVCRSA-N 0 1 395.471 1.142 20 0 GDADMN CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000821154068 607209456 /nfs/dbraw/zinc/20/94/56/607209456.db2.gz IIXQWIIKXIKSGJ-GDBMZVCRSA-N 0 1 395.471 1.142 20 0 GDADMN COc1cccc(C2(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)CCCC2)c1 ZINC000821864591 607215295 /nfs/dbraw/zinc/21/52/95/607215295.db2.gz ZDDZEIYWOQXSHX-UHFFFAOYSA-N 0 1 382.428 1.095 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccccc1Oc1cccc(F)c1 ZINC000823132038 607215656 /nfs/dbraw/zinc/21/56/56/607215656.db2.gz WNKCHWOJXDWFHH-UHFFFAOYSA-N 0 1 394.370 1.706 20 0 GDADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000823136436 607216309 /nfs/dbraw/zinc/21/63/09/607216309.db2.gz ZXIGCVMHKAACJN-UHFFFAOYSA-N 0 1 386.379 1.640 20 0 GDADMN CCC(CC)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000820887628 607216479 /nfs/dbraw/zinc/21/64/79/607216479.db2.gz JTGLHWJPSYMNFX-AWEZNQCLSA-N 0 1 397.487 1.484 20 0 GDADMN COc1ccc(CCN(CC(C)(C)C)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821790773 607217586 /nfs/dbraw/zinc/21/75/86/607217586.db2.gz TVAMACDKQLBTIK-UHFFFAOYSA-N 0 1 398.471 1.584 20 0 GDADMN CN(C)[C@@H](CNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccco1 ZINC000825849738 607814542 /nfs/dbraw/zinc/81/45/42/607814542.db2.gz MCRLJMMTECWWOF-HNNXBMFYSA-N 0 1 390.469 1.126 20 0 GDADMN C[C@@H]1CCCC[C@H]1OCCNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824941674 607815384 /nfs/dbraw/zinc/81/53/84/607815384.db2.gz ZJVYELYFZJITJM-RHSMWYFYSA-N 0 1 393.513 1.825 20 0 GDADMN C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)N(C)C[C@H]1CCC[C@H]1O ZINC000824045164 607859695 /nfs/dbraw/zinc/85/96/95/607859695.db2.gz HPJKCIVLOXJCMI-UEKVPHQBSA-N 0 1 378.864 1.940 20 0 GDADMN O=S(=O)(Nc1cncc(Br)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826492887 607932989 /nfs/dbraw/zinc/93/29/89/607932989.db2.gz JRDOQSWJQCWOMR-UHFFFAOYSA-N 0 1 381.215 1.825 20 0 GDADMN C[C@H](NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cn[nH]c1 ZINC000824488021 607940781 /nfs/dbraw/zinc/94/07/81/607940781.db2.gz DEQDYDZFMVERDF-AWEZNQCLSA-N 0 1 395.471 1.568 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3[nH]c2=O)c1-c1nnn[n-]1 ZINC000826082873 608019153 /nfs/dbraw/zinc/01/91/53/608019153.db2.gz CLWNTRNVFMDABQ-UHFFFAOYSA-N 0 1 393.411 1.248 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3[nH]c2=O)c1-c1nn[n-]n1 ZINC000826082873 608019154 /nfs/dbraw/zinc/01/91/54/608019154.db2.gz CLWNTRNVFMDABQ-UHFFFAOYSA-N 0 1 393.411 1.248 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccccc3c2C)c1-c1nnn[n-]1 ZINC000826084259 608019938 /nfs/dbraw/zinc/01/99/38/608019938.db2.gz XADILHKPOTVFGC-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccccc3c2C)c1-c1nn[n-]n1 ZINC000826084259 608019939 /nfs/dbraw/zinc/01/99/39/608019939.db2.gz XADILHKPOTVFGC-UHFFFAOYSA-N 0 1 391.439 1.851 20 0 GDADMN CCCc1nc(C)c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)s1 ZINC000825351851 608020228 /nfs/dbraw/zinc/02/02/28/608020228.db2.gz JWDBDZTUMPPABD-UHFFFAOYSA-N 0 1 389.489 1.712 20 0 GDADMN CCCc1nc(C)c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)s1 ZINC000825351851 608020229 /nfs/dbraw/zinc/02/02/29/608020229.db2.gz JWDBDZTUMPPABD-UHFFFAOYSA-N 0 1 389.489 1.712 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC000826077709 608020444 /nfs/dbraw/zinc/02/04/44/608020444.db2.gz RHGXFMJIDWUTNS-GFCCVEGCSA-N 0 1 382.428 1.247 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000826077709 608020445 /nfs/dbraw/zinc/02/04/45/608020445.db2.gz RHGXFMJIDWUTNS-GFCCVEGCSA-N 0 1 382.428 1.247 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C)cc2Cl)c1-c1nnn[n-]1 ZINC000826077367 608020629 /nfs/dbraw/zinc/02/06/29/608020629.db2.gz FYDYHEBCKCNMJY-UHFFFAOYSA-N 0 1 388.863 1.885 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(C)cc2Cl)c1-c1nn[n-]n1 ZINC000826077367 608020630 /nfs/dbraw/zinc/02/06/30/608020630.db2.gz FYDYHEBCKCNMJY-UHFFFAOYSA-N 0 1 388.863 1.885 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000826083972 608021599 /nfs/dbraw/zinc/02/15/99/608021599.db2.gz SOWMFGBURSSDRT-UHFFFAOYSA-N 0 1 385.432 1.176 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000826083972 608021600 /nfs/dbraw/zinc/02/16/00/608021600.db2.gz SOWMFGBURSSDRT-UHFFFAOYSA-N 0 1 385.432 1.176 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C(F)F)c2)c1-c1nnn[n-]1 ZINC000826084041 608021647 /nfs/dbraw/zinc/02/16/47/608021647.db2.gz UJKWPACRTMXTMD-UHFFFAOYSA-N 0 1 376.371 1.932 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C(F)F)c2)c1-c1nn[n-]n1 ZINC000826084041 608021648 /nfs/dbraw/zinc/02/16/48/608021648.db2.gz UJKWPACRTMXTMD-UHFFFAOYSA-N 0 1 376.371 1.932 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(NC3CC3)n2)c1-c1nnn[n-]1 ZINC000826084104 608022920 /nfs/dbraw/zinc/02/29/20/608022920.db2.gz VJJUVTJOXUJTFK-UHFFFAOYSA-N 0 1 388.461 1.025 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(NC3CC3)n2)c1-c1nn[n-]n1 ZINC000826084104 608022921 /nfs/dbraw/zinc/02/29/21/608022921.db2.gz VJJUVTJOXUJTFK-UHFFFAOYSA-N 0 1 388.461 1.025 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cccc(OC(F)F)c1 ZINC000825933278 608035739 /nfs/dbraw/zinc/03/57/39/608035739.db2.gz AKTLYDGSYFOBTI-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cccc(OC(F)F)c1 ZINC000825933278 608035740 /nfs/dbraw/zinc/03/57/40/608035740.db2.gz AKTLYDGSYFOBTI-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cccc(OC(F)F)c1 ZINC000825933278 608035741 /nfs/dbraw/zinc/03/57/41/608035741.db2.gz AKTLYDGSYFOBTI-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cccc(OC(F)F)c1 ZINC000825933278 608035742 /nfs/dbraw/zinc/03/57/42/608035742.db2.gz AKTLYDGSYFOBTI-UHFFFAOYSA-N 0 1 378.387 1.838 20 0 GDADMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)n[nH]1 ZINC000825744418 608097881 /nfs/dbraw/zinc/09/78/81/608097881.db2.gz AEVLLDFBEUTAGP-SSDOTTSWSA-N 0 1 382.837 1.240 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2c(F)cccc2F)c1-c1nnn[n-]1 ZINC000826073076 608114028 /nfs/dbraw/zinc/11/40/28/608114028.db2.gz CWTODZZGKLUYCX-VIFPVBQESA-N 0 1 390.398 1.762 20 0 GDADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000826073076 608114029 /nfs/dbraw/zinc/11/40/29/608114029.db2.gz CWTODZZGKLUYCX-VIFPVBQESA-N 0 1 390.398 1.762 20 0 GDADMN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824907802 608179725 /nfs/dbraw/zinc/17/97/25/608179725.db2.gz KUBISQAQFKGGQZ-RYUDHWBXSA-N 0 1 396.952 1.971 20 0 GDADMN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824907802 608179726 /nfs/dbraw/zinc/17/97/26/608179726.db2.gz KUBISQAQFKGGQZ-RYUDHWBXSA-N 0 1 396.952 1.971 20 0 GDADMN CC(C)c1nc([C@@H](C)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824359244 608204205 /nfs/dbraw/zinc/20/42/05/608204205.db2.gz UMUKBUCFOBTBHV-IUODEOHRSA-N 0 1 395.471 1.954 20 0 GDADMN Nc1nc(NCCSCc2ccccc2-c2nn[nH]n2)cc(-n2cccn2)n1 ZINC000826396165 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