smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OC[C@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164409490 718853082 /nfs/dbraw/zinc/85/30/82/718853082.db2.gz VILKAHCJMVWGEC-MHECFPHRSA-N 1 0 451.596 2.209 20 0 JEADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164408263 718853211 /nfs/dbraw/zinc/85/32/11/718853211.db2.gz RSPVWKXCUTXKBJ-MWTRTKDXSA-N 1 0 459.616 2.180 20 0 JEADRO Cc1cccc(CN2C(=O)COC3(CCN(c4cccc(N5CC[NH+](C)CC5)n4)CC3)[C@H]2C)n1 ZINC001164428879 718951188 /nfs/dbraw/zinc/95/11/88/718951188.db2.gz LLWABLMPLOQUAK-OAQYLSRUSA-N 1 0 464.614 2.323 20 0 JEADRO C[N@H+](Cc1ccc(N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@H]3C2)nc1)C1CC1 ZINC001164430438 718956102 /nfs/dbraw/zinc/95/61/02/718956102.db2.gz VFIUOWUAYZEWCI-AMGIVPHBSA-N 1 0 491.640 2.048 20 0 JEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)CC1 ZINC001164617450 719032170 /nfs/dbraw/zinc/03/21/70/719032170.db2.gz KLDOQFSEGGJVQU-UHFFFAOYSA-N 1 0 450.605 2.110 20 0 JEADRO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC001164628625 719063301 /nfs/dbraw/zinc/06/33/01/719063301.db2.gz SVFPGHBRNWXNAD-GOTSBHOMSA-N 1 0 464.614 2.251 20 0 JEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@@H]2CCCO[C@H]12 ZINC001164653527 719320038 /nfs/dbraw/zinc/32/00/38/719320038.db2.gz NNDHYCAMPUBKPZ-NOXFTYBFSA-N 1 0 455.559 2.266 20 0 JEADRO COC(=O)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164682832 719661363 /nfs/dbraw/zinc/66/13/63/719661363.db2.gz TVHKWQNNBGPEER-GOSISDBHSA-N 1 0 451.571 2.357 20 0 JEADRO CNS(=O)(=O)c1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684402 719673519 /nfs/dbraw/zinc/67/35/19/719673519.db2.gz TYUVKXZCNOAHCS-IBGZPJMESA-N 1 0 485.654 2.083 20 0 JEADRO CN1CCN(c2nccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n2)CC1 ZINC001164683405 719680074 /nfs/dbraw/zinc/68/00/74/719680074.db2.gz RRWDRRGGYXYCRW-JOCHJYFZSA-N 1 0 491.684 2.322 20 0 JEADRO Cc1nc(-n2cncn2)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684559 719680565 /nfs/dbraw/zinc/68/05/65/719680565.db2.gz JGTKGZLNBVNOHK-HXUWFJFHSA-N 1 0 474.613 2.459 20 0 JEADRO Cc1nc(-n2cncn2)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684556 719680673 /nfs/dbraw/zinc/68/06/73/719680673.db2.gz JGTKGZLNBVNOHK-FQEVSTJZSA-N 1 0 474.613 2.459 20 0 JEADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164687323 719691608 /nfs/dbraw/zinc/69/16/08/719691608.db2.gz RWCVJGKZVLADOD-IBGZPJMESA-N 1 0 454.575 2.081 20 0 JEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164811035 720133214 /nfs/dbraw/zinc/13/32/14/720133214.db2.gz KOWAWRGFHHEADL-OPAMFIHVSA-N 1 0 462.982 2.228 20 0 JEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2 ZINC001164711685 720141065 /nfs/dbraw/zinc/14/10/65/720141065.db2.gz HVYSXVLAUVDWMC-HXUWFJFHSA-N 1 0 459.616 2.234 20 0 JEADRO COC(=O)c1cc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cnc1Cl ZINC001164717066 720174888 /nfs/dbraw/zinc/17/48/88/720174888.db2.gz KGQOJADGMFGIRH-KRWDZBQOSA-N 1 0 484.935 2.411 20 0 JEADRO COC(=O)c1cc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cnc1Cl ZINC001164717067 720175483 /nfs/dbraw/zinc/17/54/83/720175483.db2.gz KGQOJADGMFGIRH-QGZVFWFLSA-N 1 0 484.935 2.411 20 0 JEADRO COC(=O)c1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)ccc2c1 ZINC001164719863 720178932 /nfs/dbraw/zinc/17/89/32/720178932.db2.gz XMWLTYLFZRIMJJ-OAQYLSRUSA-N 1 0 450.543 2.366 20 0 JEADRO Cc1cc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc(N3CCOCC3)c2s1 ZINC001164716546 720188547 /nfs/dbraw/zinc/18/85/47/720188547.db2.gz HBDQSXACGQIAAM-FQEVSTJZSA-N 1 0 498.657 2.181 20 0 JEADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716620 720191752 /nfs/dbraw/zinc/19/17/52/720191752.db2.gz QDRYVCMVYIJJRR-HSZRJFAPSA-N 1 0 492.628 2.360 20 0 JEADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164716055 720192076 /nfs/dbraw/zinc/19/20/76/720192076.db2.gz OYISXHUFLQHDEP-HXUWFJFHSA-N 1 0 499.616 2.198 20 0 JEADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2)C1 ZINC001164713890 720196379 /nfs/dbraw/zinc/19/63/79/720196379.db2.gz FGOYBYDEJQAXTE-SIKLNZKXSA-N 1 0 467.618 2.298 20 0 JEADRO Cn1nnc2c1CCN(c1ncnc3c1ncn3-c1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717143 720202793 /nfs/dbraw/zinc/20/27/93/720202793.db2.gz SOPYJGMFABHCGW-HXUWFJFHSA-N 1 0 459.558 2.160 20 0 JEADRO CC(=O)Oc1cc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2cc1OC(C)=O ZINC001164812188 720231026 /nfs/dbraw/zinc/23/10/26/720231026.db2.gz CTOHFXJJQACCIG-UHFFFAOYSA-N 1 0 494.552 2.288 20 0 JEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)CCC2 ZINC001164813800 720232061 /nfs/dbraw/zinc/23/20/61/720232061.db2.gz PFKGFKCSINECRF-UHFFFAOYSA-N 1 0 498.609 2.480 20 0 JEADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826364 720332827 /nfs/dbraw/zinc/33/28/27/720332827.db2.gz GICMDFPENJTBGG-OALUTQOASA-N 1 0 454.575 2.057 20 0 JEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164827495 720338563 /nfs/dbraw/zinc/33/85/63/720338563.db2.gz MJEJAKWZDJAFOT-NHCUHLMSSA-N 1 0 463.648 2.024 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC001164831226 720341589 /nfs/dbraw/zinc/34/15/89/720341589.db2.gz YECJNELOTICBQE-LEWJYISDSA-N 1 0 476.021 2.119 20 0 JEADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1C(=O)OCC ZINC001164824405 720355502 /nfs/dbraw/zinc/35/55/02/720355502.db2.gz IFXBFMGGDADWHT-LEWJYISDSA-N 1 0 472.586 2.347 20 0 JEADRO COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CC1 ZINC001164833574 720571194 /nfs/dbraw/zinc/57/11/94/720571194.db2.gz AHDWKJNOWKWEHG-YPAWHYETSA-N 1 0 467.618 2.440 20 0 JEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164745705 720609327 /nfs/dbraw/zinc/60/93/27/720609327.db2.gz VOWQKJAGPOJYTG-IAGOWNOFSA-N 1 0 459.510 2.191 20 0 JEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3S(=O)(=O)CC4)CC[C@@H]21 ZINC001164836964 720645526 /nfs/dbraw/zinc/64/55/26/720645526.db2.gz AKJCYJRTPXASGV-VYDXJSESSA-N 1 0 450.996 2.034 20 0 JEADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742010 720693732 /nfs/dbraw/zinc/69/37/32/720693732.db2.gz VIHWVANDOCZOCJ-BFYDXBDKSA-N 1 0 456.938 2.311 20 0 JEADRO CN(C)C(=O)c1cc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164740118 720697193 /nfs/dbraw/zinc/69/71/93/720697193.db2.gz QFCJGIUVRFJWQY-PMACEKPBSA-N 1 0 476.585 2.380 20 0 JEADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164740359 720728543 /nfs/dbraw/zinc/72/85/43/720728543.db2.gz KGVHHBAPPWQLBM-DNQXCXABSA-N 1 0 499.619 2.172 20 0 JEADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738545 720738878 /nfs/dbraw/zinc/73/88/78/720738878.db2.gz FYFGSNAZAYLNAU-NFQYPQQASA-N 1 0 480.569 2.384 20 0 JEADRO C[NH+](C)Cc1ccnc(N2CCC3(CC[C@]4(C(=O)N5CCCC5)CN(S(C)(=O)=O)C[C@H]34)CC2)c1 ZINC001164843480 720741443 /nfs/dbraw/zinc/74/14/43/720741443.db2.gz LAYWTOOSRHEGJE-BWKNWUBXSA-N 1 0 489.686 2.024 20 0 JEADRO c1ncc(O[C@@H]2C[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)CC[N@@H+]3C2)cn1 ZINC001164739951 720761635 /nfs/dbraw/zinc/76/16/35/720761635.db2.gz KASOSBKVZRBQMV-ZWKOTPCHSA-N 1 0 493.637 2.144 20 0 JEADRO Fc1ccccc1N1CCN(c2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncn2)CC1 ZINC001164746440 720772884 /nfs/dbraw/zinc/77/28/84/720772884.db2.gz YDSKZDXBMLIRRC-WOJBJXKFSA-N 1 0 476.560 2.074 20 0 JEADRO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737846 720783961 /nfs/dbraw/zinc/78/39/61/720783961.db2.gz CZOLQHYCPWATQY-SJORKVTESA-N 1 0 488.520 2.293 20 0 JEADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@@H]32)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164846556 720802022 /nfs/dbraw/zinc/80/20/22/720802022.db2.gz JIZRQKAHQIUCFQ-BHVFFLMSSA-N 1 0 499.656 2.000 20 0 JEADRO c1cc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(N3CCOCC3)c2s1 ZINC001164741831 720816340 /nfs/dbraw/zinc/81/63/40/720816340.db2.gz ONONFGKCHSPOQC-SVFBPWRDSA-N 1 0 480.642 2.499 20 0 JEADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164742617 720830965 /nfs/dbraw/zinc/83/09/65/720830965.db2.gz QCVBAGDOAXRKEL-CEXWTWQISA-N 1 0 459.982 2.339 20 0 JEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)c21 ZINC001164847688 720833122 /nfs/dbraw/zinc/83/31/22/720833122.db2.gz KGBGOFKNUXTXRI-MJGOQNOKSA-N 1 0 453.543 2.233 20 0 JEADRO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164749441 720837539 /nfs/dbraw/zinc/83/75/39/720837539.db2.gz VVHJAUGSFMMFCH-YTFSRNRJSA-N 1 0 494.644 2.227 20 0 JEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3cc(C)n4S(=O)(=O)c3ccccc3)CC[C@@H]2C1 ZINC001164849004 720842912 /nfs/dbraw/zinc/84/29/12/720842912.db2.gz BHFFDVSXEHQKMU-DENIHFKCSA-N 1 0 485.610 2.150 20 0 JEADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164751818 720844314 /nfs/dbraw/zinc/84/43/14/720844314.db2.gz YYOUZEFLQLFOAE-BFYDXBDKSA-N 1 0 470.965 2.369 20 0 JEADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)CC[C@H]2C1 ZINC001164855380 720849444 /nfs/dbraw/zinc/84/94/44/720849444.db2.gz UDNPFLNKYONGLP-DOTOQJQBSA-N 1 0 474.936 2.415 20 0 JEADRO O=S(=O)(c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164749883 720852584 /nfs/dbraw/zinc/85/25/84/720852584.db2.gz OMDBVQLGCICDMH-YPAWHYETSA-N 1 0 485.658 2.227 20 0 JEADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C(=O)OCC ZINC001164751176 720860910 /nfs/dbraw/zinc/86/09/10/720860910.db2.gz QMXXHYOIOXUYCK-QKNQBKEWSA-N 1 0 482.585 2.406 20 0 JEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(-c4cnc(N5CCCCC5)nc4)n3)CC[C@@H]2C1 ZINC001164854050 720862943 /nfs/dbraw/zinc/86/29/43/720862943.db2.gz INGLVINHAOWWEU-DENIHFKCSA-N 1 0 453.591 2.097 20 0 JEADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@H]2C1 ZINC001164851542 720864114 /nfs/dbraw/zinc/86/41/14/720864114.db2.gz ATBSLQGQRCCAFT-AHWVRZQESA-N 1 0 493.652 2.213 20 0 JEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164863714 720876215 /nfs/dbraw/zinc/87/62/15/720876215.db2.gz UADHTKUAGNGPHI-UYAOXDASSA-N 1 0 487.670 2.186 20 0 JEADRO NC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752456 720879581 /nfs/dbraw/zinc/87/95/81/720879581.db2.gz NAOYRQNEVWCKOA-WZONZLPQSA-N 1 0 456.978 2.379 20 0 JEADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)ncn3)CC[C@H]2C1 ZINC001164862222 720880002 /nfs/dbraw/zinc/88/00/02/720880002.db2.gz RJLGOKFZBXRLHH-REWPJTCUSA-N 1 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JEADRO CNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753964 720897047 /nfs/dbraw/zinc/89/70/47/720897047.db2.gz HYLAYMFSOYQHSL-URXFXBBRSA-N 1 0 471.627 2.140 20 0 JEADRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccnc(N4CCOCC4)n2)C3)c1 ZINC001164757769 720897391 /nfs/dbraw/zinc/89/73/91/720897391.db2.gz VOZRFHMYBYIVIA-OZXSUGGESA-N 1 0 464.614 2.463 20 0 JEADRO NS(=O)(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1 ZINC001164750844 720937581 /nfs/dbraw/zinc/93/75/81/720937581.db2.gz KYRYOYXONKJLNA-AUSIDOKSSA-N 1 0 475.590 2.018 20 0 JEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164752115 720949825 /nfs/dbraw/zinc/94/98/25/720949825.db2.gz UZSFKWGMFCPNEL-UHFFFAOYSA-N 1 0 471.736 2.222 20 0 JEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC2 ZINC001164748637 720950172 /nfs/dbraw/zinc/95/01/72/720950172.db2.gz BWOYWBZAOXLCFH-UHFFFAOYSA-N 1 0 481.988 2.488 20 0 JEADRO 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c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164972687 722139136 /nfs/dbraw/zinc/13/91/36/722139136.db2.gz AGYSPCAVQNXFSW-VXKWHMMOSA-N 1 0 464.618 2.194 20 0 JEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974290 722140588 /nfs/dbraw/zinc/14/05/88/722140588.db2.gz DFYATSNCHUREDB-RBBKRZOGSA-N 1 0 459.616 2.234 20 0 JEADRO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2C1 ZINC001164976140 722142701 /nfs/dbraw/zinc/14/27/01/722142701.db2.gz HKWUAZAJGHKAJC-DENIHFKCSA-N 1 0 452.559 2.114 20 0 JEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccsc3c(N3CCOCC3)n1)CCC2 ZINC001165000598 722251310 /nfs/dbraw/zinc/25/13/10/722251310.db2.gz TWZTZONLURVBNH-UHFFFAOYSA-N 1 0 457.604 2.213 20 0 JEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)CCC2 ZINC001165001963 722255843 /nfs/dbraw/zinc/25/58/43/722255843.db2.gz KEAXMHVVMSVXFY-UHFFFAOYSA-N 1 0 495.609 2.353 20 0 JEADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165004956 722256776 /nfs/dbraw/zinc/25/67/76/722256776.db2.gz YPCAPNUPVAQYSH-GOSISDBHSA-N 1 0 464.636 2.234 20 0 JEADRO C[C@@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010241 722273437 /nfs/dbraw/zinc/27/34/37/722273437.db2.gz UPILJJHHWLMQAQ-FPGHNAPASA-N 1 0 451.575 2.026 20 0 JEADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC(F)(C[NH3+])CC3)c2c1C ZINC001164392662 718813318 /nfs/dbraw/zinc/81/33/18/718813318.db2.gz NLYGDAJCFWRJOR-UHFFFAOYSA-N 1 0 451.568 2.276 20 0 JEADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)C2 ZINC001164616133 719009887 /nfs/dbraw/zinc/00/98/87/719009887.db2.gz KLURKQVBISXEEL-BEFAXECRSA-N 1 0 492.976 2.077 20 0 JEADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164615567 719017043 /nfs/dbraw/zinc/01/70/43/719017043.db2.gz ISZOLNWOKVUUIB-SZMVWBNQSA-N 1 0 471.627 2.132 20 0 JEADRO 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CN(C)S(=O)(=O)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164684558 719677765 /nfs/dbraw/zinc/67/77/65/719677765.db2.gz UURCAAJIRZKPPJ-FQEVSTJZSA-N 1 0 499.681 2.425 20 0 JEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(/C=C\C(=O)OC)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164686562 719733032 /nfs/dbraw/zinc/73/30/32/719733032.db2.gz PDPYADHUSDGMAI-NTMALXAHSA-N 1 0 471.602 2.433 20 0 JEADRO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2O1 ZINC001164702163 719819672 /nfs/dbraw/zinc/81/96/72/719819672.db2.gz RDXCYQPGTGBBLL-PMVMPFDFSA-N 1 0 465.598 2.294 20 0 JEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2 ZINC001164711682 720141458 /nfs/dbraw/zinc/14/14/58/720141458.db2.gz HVYSXVLAUVDWMC-FQEVSTJZSA-N 1 0 459.616 2.234 20 0 JEADRO CN(C)C(=O)N1CC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001164716329 720161917 /nfs/dbraw/zinc/16/19/17/720161917.db2.gz ZKKFGYFWYQCWNL-VWLOTQADSA-N 1 0 454.619 2.110 20 0 JEADRO Cn1nnc2c1CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164713002 720172077 /nfs/dbraw/zinc/17/20/77/720172077.db2.gz JGFSGBDAIKYTSB-VWLOTQADSA-N 1 0 488.640 2.380 20 0 JEADRO Cn1nnc2c1CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164711445 720172267 /nfs/dbraw/zinc/17/22/67/720172267.db2.gz BXLCTNAAGSBPCI-KRWDZBQOSA-N 1 0 458.567 2.168 20 0 JEADRO COC(=O)c1ccc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)ccc2c1 ZINC001164719862 720178750 /nfs/dbraw/zinc/17/87/50/720178750.db2.gz XMWLTYLFZRIMJJ-NRFANRHFSA-N 1 0 450.543 2.366 20 0 JEADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2)C1 ZINC001164713893 720196589 /nfs/dbraw/zinc/19/65/89/720196589.db2.gz FGOYBYDEJQAXTE-UGKGYDQZSA-N 1 0 467.618 2.298 20 0 JEADRO CC1CCN(C(=O)c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2)CC1 ZINC001164715549 720197178 /nfs/dbraw/zinc/19/71/78/720197178.db2.gz KTGDNXSLQDZEIR-JOCHJYFZSA-N 1 0 467.618 2.298 20 0 JEADRO COC(=O)c1cc2ccccc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164715686 720198854 /nfs/dbraw/zinc/19/88/54/720198854.db2.gz MLDDPGDJGXRXPZ-OAQYLSRUSA-N 1 0 450.543 2.366 20 0 JEADRO Cn1nnc2c1CCN(c1ncc(C(N)=S)c3ccsc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718478 720207448 /nfs/dbraw/zinc/20/74/48/720207448.db2.gz MLCUJMWTDNNAPM-KRWDZBQOSA-N 1 0 457.629 2.275 20 0 JEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccsc3c(N3CCOCC3)n1)CCC2 ZINC001164810293 720214504 /nfs/dbraw/zinc/21/45/04/720214504.db2.gz BGZOVZSMTDTDKK-UHFFFAOYSA-N 1 0 469.615 2.335 20 0 JEADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164813888 720233851 /nfs/dbraw/zinc/23/38/51/720233851.db2.gz QWEYZIQLMFKAIZ-UHFFFAOYSA-N 1 0 459.938 2.205 20 0 JEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CCC2 ZINC001164813246 720235714 /nfs/dbraw/zinc/23/57/14/720235714.db2.gz LXUFXMBAZNBQGD-UHFFFAOYSA-N 1 0 452.897 2.310 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC001164821382 720293420 /nfs/dbraw/zinc/29/34/20/720293420.db2.gz KLWJRXAVFATJDU-HOTGVXAUSA-N 1 0 455.937 2.290 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)CC1 ZINC001164822055 720315486 /nfs/dbraw/zinc/31/54/86/720315486.db2.gz MMGHCOXIXUAQTD-DHIUTWEWSA-N 1 0 462.598 2.274 20 0 JEADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164826370 720332677 /nfs/dbraw/zinc/33/26/77/720332677.db2.gz GICMDFPENJTBGG-RTBURBONSA-N 1 0 454.575 2.057 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2C(N)=O)CC1 ZINC001164829455 720333768 /nfs/dbraw/zinc/33/37/68/720333768.db2.gz MIAROPBGFGZSGU-DLBZAZTESA-N 1 0 455.937 2.290 20 0 JEADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1C ZINC001164830227 720335535 /nfs/dbraw/zinc/33/55/35/720335535.db2.gz PFDPEQIAZWICEM-IAGOWNOFSA-N 1 0 474.993 2.320 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC001164822184 720338379 /nfs/dbraw/zinc/33/83/79/720338379.db2.gz CCLISZFOPXHKBD-VXKWHMMOSA-N 1 0 475.659 2.168 20 0 JEADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)C1 ZINC001164826797 720340120 /nfs/dbraw/zinc/34/01/20/720340120.db2.gz LBEUGSGKTQJAAM-YPAWHYETSA-N 1 0 484.645 2.168 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC001164831229 720341735 /nfs/dbraw/zinc/34/17/35/720341735.db2.gz YECJNELOTICBQE-RTWAWAEBSA-N 1 0 476.021 2.119 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC001164831227 720341838 /nfs/dbraw/zinc/34/18/38/720341838.db2.gz YECJNELOTICBQE-NHCUHLMSSA-N 1 0 476.021 2.119 20 0 JEADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2C1 ZINC001164830685 720355579 /nfs/dbraw/zinc/35/55/79/720355579.db2.gz WMRVQOIXEXIMMZ-STZQEDGTSA-N 1 0 455.603 2.056 20 0 JEADRO C[NH+](C)C[C@H]1Cn2ccnc2CN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)C1 ZINC001164733814 720522035 /nfs/dbraw/zinc/52/20/35/720522035.db2.gz LRXWNDSZLWCBET-OYHNWAKOSA-N 1 0 476.988 2.387 20 0 JEADRO C[NH+](C)C[C@H]1Cn2ccnc2CN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)C1 ZINC001164733811 720522346 /nfs/dbraw/zinc/52/23/46/720522346.db2.gz LRXWNDSZLWCBET-NYHFZMIOSA-N 1 0 476.988 2.387 20 0 JEADRO COC(=O)C1CCN(c2nccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CC1 ZINC001164833572 720569958 /nfs/dbraw/zinc/56/99/58/720569958.db2.gz AHDWKJNOWKWEHG-BHIFYINESA-N 1 0 467.618 2.440 20 0 JEADRO Clc1nnc(Cl)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1N1CCOCC1 ZINC001164744404 720598958 /nfs/dbraw/zinc/59/89/58/720598958.db2.gz SBOPYTRITQMOBP-UHFFFAOYSA-N 1 0 452.390 2.475 20 0 JEADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164739555 720629509 /nfs/dbraw/zinc/62/95/09/720629509.db2.gz FVSHQHBKLZNNCX-RBUKOAKNSA-N 1 0 491.577 2.109 20 0 JEADRO 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CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164720542 720233861 /nfs/dbraw/zinc/23/38/61/720233861.db2.gz YAADVQWIHUGWQN-MHZLTWQESA-N 1 0 463.626 2.305 20 0 JEADRO CCC(CC)NS(=O)(=O)c1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164812108 720238652 /nfs/dbraw/zinc/23/86/52/720238652.db2.gz BFNPYGLBXAKZGG-UHFFFAOYSA-N 1 0 476.647 2.356 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC001164821389 720292724 /nfs/dbraw/zinc/29/27/24/720292724.db2.gz KLWJRXAVFATJDU-JKSUJKDBSA-N 1 0 455.937 2.290 20 0 JEADRO CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1 ZINC001164721381 720309828 /nfs/dbraw/zinc/30/98/28/720309828.db2.gz GSAQPIFEBKKGED-QFIPXVFZSA-N 1 0 483.991 2.321 20 0 JEADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164829042 720325780 /nfs/dbraw/zinc/32/57/80/720325780.db2.gz LLHVWYAVVFZKON-DLBZAZTESA-N 1 0 460.966 2.309 20 0 JEADRO 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CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164829170 720341683 /nfs/dbraw/zinc/34/16/83/720341683.db2.gz QVWLXQMNWKUJPQ-FGZHOGPDSA-N 1 0 477.675 2.318 20 0 JEADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC001164732190 720519495 /nfs/dbraw/zinc/51/94/95/720519495.db2.gz ZOURHFMWCRIGIS-QHCPKHFHSA-N 1 0 473.625 2.434 20 0 JEADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C(=O)OCC ZINC001164833315 720524211 /nfs/dbraw/zinc/52/42/11/720524211.db2.gz DAHNGRKLWXHKBT-CMKODMSKSA-N 1 0 470.574 2.404 20 0 JEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(N3CCN(c4ccccc4F)CC3)ncn2)C1 ZINC001164733387 720526941 /nfs/dbraw/zinc/52/69/41/720526941.db2.gz JHLHEHXMTWXCBJ-LJQANCHMSA-N 1 0 450.566 2.337 20 0 JEADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733062 720554238 /nfs/dbraw/zinc/55/42/38/720554238.db2.gz IYMOIXLMZKOZCD-UHFFFAOYSA-N 1 0 467.952 2.367 20 0 JEADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729614 720569301 /nfs/dbraw/zinc/56/93/01/720569301.db2.gz RRRZCZVUDPHTKO-UHFFFAOYSA-N 1 0 452.390 2.475 20 0 JEADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743202 720695849 /nfs/dbraw/zinc/69/58/49/720695849.db2.gz WYUPXGPUWWTNKO-CHWSQXEVSA-N 1 0 450.952 2.161 20 0 JEADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CC2 ZINC001164836422 720721400 /nfs/dbraw/zinc/72/14/00/720721400.db2.gz AFSRSGYGWXFTLM-NHCUHLMSSA-N 1 0 450.587 2.191 20 0 JEADRO C[NH+]1CCN(c2ccc(N3CCc4nc(C(=O)NCc5ccccc5)sc4CC3)nn2)CC1 ZINC001164844859 720745759 /nfs/dbraw/zinc/74/57/59/720745759.db2.gz USYFBQCGPWJGQQ-UHFFFAOYSA-N 1 0 463.611 2.220 20 0 JEADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2[nH]cnc21 ZINC001164739919 720751322 /nfs/dbraw/zinc/75/13/22/720751322.db2.gz JTIJAIBLQGFUCS-GJZGRUSLSA-N 1 0 452.519 2.437 20 0 JEADRO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737844 720783412 /nfs/dbraw/zinc/78/34/12/720783412.db2.gz CZOLQHYCPWATQY-IRXDYDNUSA-N 1 0 488.520 2.293 20 0 JEADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751141 720810259 /nfs/dbraw/zinc/81/02/59/720810259.db2.gz WWRHOKROXTTZBL-ZIFCJYIRSA-N 1 0 457.604 2.346 20 0 JEADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737706 720824878 /nfs/dbraw/zinc/82/48/78/720824878.db2.gz CEUKTIZJNIPHOI-FGTMMUONSA-N 1 0 459.982 2.207 20 0 JEADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c3)cc21 ZINC001164742634 720826040 /nfs/dbraw/zinc/82/60/40/720826040.db2.gz QFHRZUWHPPERTF-JXALWOEJSA-N 1 0 472.597 2.334 20 0 JEADRO c1ncn(C[C@H]2C[C@H]3CN(c4nc5ccccc5nc4N4CCOCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738768 720827120 /nfs/dbraw/zinc/82/71/20/720827120.db2.gz GJYVOCPFBFTXJL-YZUZCNPQSA-N 1 0 474.613 2.437 20 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2.379 20 0 JEADRO CNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753965 720897423 /nfs/dbraw/zinc/89/74/23/720897423.db2.gz HYLAYMFSOYQHSL-XUZZJYLKSA-N 1 0 471.627 2.140 20 0 JEADRO CN(C)S(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164748556 720910803 /nfs/dbraw/zinc/91/08/03/720910803.db2.gz GWVHWRBOGUUXTM-RCZVLFRGSA-N 1 0 485.654 2.482 20 0 JEADRO COC(=O)c1ncnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1OC ZINC001164754251 720938905 /nfs/dbraw/zinc/93/89/05/720938905.db2.gz VOFWRWAJMHNNAO-CPJSRVTESA-N 1 0 467.570 2.422 20 0 JEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)CC2 ZINC001164750519 720950098 /nfs/dbraw/zinc/95/00/98/720950098.db2.gz KSHGCUIESQPLFA-UHFFFAOYSA-N 1 0 480.960 2.370 20 0 JEADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CC2 ZINC001164752462 720954654 /nfs/dbraw/zinc/95/46/54/720954654.db2.gz YMEWPBNKANETLF-HNNXBMFYSA-N 1 0 474.953 2.021 20 0 JEADRO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]21 ZINC001164757002 721021570 /nfs/dbraw/zinc/02/15/70/721021570.db2.gz CHETVWLZJMBSBH-XPWALMASSA-N 1 0 465.598 2.499 20 0 JEADRO c1cc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164867092 721060067 /nfs/dbraw/zinc/06/00/67/721060067.db2.gz HSNJOEZFIKLFEO-RTBURBONSA-N 1 0 452.584 2.403 20 0 JEADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867700 721061270 /nfs/dbraw/zinc/06/12/70/721061270.db2.gz JSIAKFYJRCARBV-ZWKOTPCHSA-N 1 0 480.947 2.386 20 0 JEADRO CCOC(=O)C1CCN(c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164865974 721112205 /nfs/dbraw/zinc/11/22/05/721112205.db2.gz QPPLWVLKQVOCGZ-FCHUYYIVSA-N 1 0 466.586 2.131 20 0 JEADRO O=S(=O)(c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164871596 721141972 /nfs/dbraw/zinc/14/19/72/721141972.db2.gz FVJXCBKNXMAIIR-RTWAWAEBSA-N 1 0 457.600 2.131 20 0 JEADRO 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CC(=O)Oc1cc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2cc1OC(C)=O ZINC001164893104 721425502 /nfs/dbraw/zinc/42/55/02/721425502.db2.gz JAHXNTMGKYFOJK-FNZWTVRRSA-N 1 0 497.596 2.246 20 0 JEADRO COC(=O)c1c(Cl)cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164899877 721429408 /nfs/dbraw/zinc/42/94/08/721429408.db2.gz ZLJVYYBNOXMUCT-AOMKIAJQSA-N 1 0 452.983 2.296 20 0 JEADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)C1=O ZINC001164897120 721429739 /nfs/dbraw/zinc/42/97/39/721429739.db2.gz SPCHHMDLDULTDS-UZUQRXQVSA-N 1 0 463.026 2.260 20 0 JEADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)C1 ZINC001164894255 721435862 /nfs/dbraw/zinc/43/58/62/721435862.db2.gz LFUYGXFDEHBXDB-TVZXLZGTSA-N 1 0 486.661 2.022 20 0 JEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)nc5[nH]cnc54)C3)O2)CC1 ZINC001164890269 721435866 /nfs/dbraw/zinc/43/58/66/721435866.db2.gz CXGNFOKZNALQNB-IFXJQAMLSA-N 1 0 455.941 2.268 20 0 JEADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncccc4S(=O)(=O)N4CCCCC4)C3)O2)CC1 ZINC001164896193 721442078 /nfs/dbraw/zinc/44/20/78/721442078.db2.gz QXSYQMDODUTICP-ZJSXRUAMSA-N 1 0 477.675 2.022 20 0 JEADRO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C(=O)OCC ZINC001164893183 721452626 /nfs/dbraw/zinc/45/26/26/721452626.db2.gz YSIRTSHDDUNJJV-KBMIEXCESA-N 1 0 474.602 2.200 20 0 JEADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(S(C)(=O)=O)c4)C3)O2)CC1 ZINC001164890396 721453267 /nfs/dbraw/zinc/45/32/67/721453267.db2.gz RLYGQFXOIKZSHM-FXAWDEMLSA-N 1 0 493.020 2.449 20 0 JEADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164784499 721454894 /nfs/dbraw/zinc/45/48/94/721454894.db2.gz FTVPGDDJBDGABW-IBGZPJMESA-N 1 0 481.041 2.096 20 0 JEADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164783243 721455880 /nfs/dbraw/zinc/45/58/80/721455880.db2.gz ARQPVAGSCGBXLO-OAQYLSRUSA-N 1 0 486.661 2.015 20 0 JEADRO 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C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncccc2C(=O)N2CCc4ccccc42)CC3)CC1 ZINC001164797349 721518624 /nfs/dbraw/zinc/51/86/24/721518624.db2.gz KQAWFVPJYZUAAQ-UHFFFAOYSA-N 1 0 457.582 2.249 20 0 JEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(C(=O)N4CCCCC4)cc2Cl)CC3)CC1 ZINC001164795390 721519417 /nfs/dbraw/zinc/51/94/17/721519417.db2.gz OLPZQPOVAVQVGJ-UHFFFAOYSA-N 1 0 458.010 2.325 20 0 JEADRO COC(=O)C1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164906780 721542223 /nfs/dbraw/zinc/54/22/23/721542223.db2.gz LHYBOTLEQZVHDI-CTNGQTDRSA-N 1 0 455.534 2.347 20 0 JEADRO COc1cccc(CN2C[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)n4)CC[C@@H]3S2(=O)=O)c1 ZINC001164806930 721592602 /nfs/dbraw/zinc/59/26/02/721592602.db2.gz NRFMNIIDWOGCDQ-GMAHTHKFSA-N 1 0 485.654 2.273 20 0 JEADRO O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2COC[C@H]21)c1cnccn1 ZINC001164798816 721599511 /nfs/dbraw/zinc/59/95/11/721599511.db2.gz GJFUPLDNWUIHJZ-UHOSZYNNSA-N 1 0 476.915 2.080 20 0 JEADRO FC1(F)CCN(c2nc(Cl)nc(N3CCOCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164903768 721692844 /nfs/dbraw/zinc/69/28/44/721692844.db2.gz CGDYJJUAJXBWHI-FQEVSTJZSA-N 1 0 465.936 2.494 20 0 JEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2c(Cl)nc(N3CCOCC3)nc2Cl)CC1 ZINC001165010640 721739680 /nfs/dbraw/zinc/73/96/80/721739680.db2.gz IFFCESUOZGPFRR-UHFFFAOYSA-N 1 0 457.406 2.143 20 0 JEADRO Clc1cc(C2CC[NH2+]CC2)nc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164910355 721775956 /nfs/dbraw/zinc/77/59/56/721775956.db2.gz BGGCPKCWKOFIBD-HSZRJFAPSA-N 1 0 458.994 2.100 20 0 JEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H]21 ZINC001165018636 721804573 /nfs/dbraw/zinc/80/45/73/721804573.db2.gz BRKHXEOKGZQKSB-OEMFJLHTSA-N 1 0 493.656 2.282 20 0 JEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCOCC3)C[C@@H]21 ZINC001165018998 721818662 /nfs/dbraw/zinc/81/86/62/721818662.db2.gz BIWFWEICGWUCBH-ILWGZMRPSA-N 1 0 471.627 2.234 20 0 JEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C[C@H]21 ZINC001165029026 721823839 /nfs/dbraw/zinc/82/38/39/721823839.db2.gz WLLMFGDMDQLVOF-WWPVKYPJSA-N 1 0 471.627 2.234 20 0 JEADRO Cc1nc(CN2CCOC[C@@]3(CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CCO3)C2)cs1 ZINC001164921437 721825672 /nfs/dbraw/zinc/82/56/72/721825672.db2.gz AFFOTJUTOBZISL-QFIPXVFZSA-N 1 0 479.050 2.470 20 0 JEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2S(=O)(=O)N2CCOCC2)CC1 ZINC001165020553 721842581 /nfs/dbraw/zinc/84/25/81/721842581.db2.gz FVCBUFPTOGYHJL-UHFFFAOYSA-N 1 0 490.626 2.221 20 0 JEADRO COC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164921393 721866919 /nfs/dbraw/zinc/86/69/19/721866919.db2.gz CLJRILTUOPNVLU-RTWAWAEBSA-N 1 0 497.621 2.275 20 0 JEADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925104 721871126 /nfs/dbraw/zinc/87/11/26/721871126.db2.gz MNYXANJFJGCFKC-LOSJGSFVSA-N 1 0 462.642 2.254 20 0 JEADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164923157 721874868 /nfs/dbraw/zinc/87/48/68/721874868.db2.gz IUGSSGRROMKLEB-NCXUSEDFSA-N 1 0 477.604 2.440 20 0 JEADRO COC(=O)c1cc2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2n1S(=O)(=O)c1ccccc1 ZINC001165037055 721911516 /nfs/dbraw/zinc/91/15/16/721911516.db2.gz FZEZNLLONHETOX-IBGZPJMESA-N 1 0 484.578 2.361 20 0 JEADRO CN(C)S(=O)(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C1 ZINC001164950714 721990872 /nfs/dbraw/zinc/99/08/72/721990872.db2.gz JZAOEVUQLVRFNX-HOTGVXAUSA-N 1 0 475.993 2.221 20 0 JEADRO CC[NH+](CC)C1CCN(c2nc3ccc(OC)cc3nc2O[C@@H]2CN[C@@H](C(=O)OC)C2)CC1 ZINC001165052969 722002886 /nfs/dbraw/zinc/00/28/86/722002886.db2.gz HCCLYTWDISEBTR-GHTZIAJQSA-N 1 0 457.575 2.231 20 0 JEADRO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@@H+]3CC[C@H](CO)C3)C[C@H]21 ZINC001164959038 722039517 /nfs/dbraw/zinc/03/95/17/722039517.db2.gz GBSBUDHVDAWPQX-LXGFNABISA-N 1 0 457.619 2.087 20 0 JEADRO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1C(=O)OC ZINC001164961200 722053143 /nfs/dbraw/zinc/05/31/43/722053143.db2.gz VPQAVTDHTFQUGT-UHFFFAOYSA-N 1 0 454.527 2.169 20 0 JEADRO c1nc2c(nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2N2CCOCC2)s1 ZINC001164964754 722054546 /nfs/dbraw/zinc/05/45/46/722054546.db2.gz XOYAGFRRXSOKNO-UHFFFAOYSA-N 1 0 481.626 2.437 20 0 JEADRO c1nc2c(nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2N2CCOCC2)s1 ZINC001164975560 722108317 /nfs/dbraw/zinc/10/83/17/722108317.db2.gz JURJQRFBGWSSRT-MOPGFXCFSA-N 1 0 467.599 2.045 20 0 JEADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc-2n1 ZINC001164980547 722115603 /nfs/dbraw/zinc/11/56/03/722115603.db2.gz RSZLJFNECWEUQN-UWJYYQICSA-N 1 0 451.527 2.480 20 0 JEADRO COc1nc(N2CCn3ccnc3C2)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994307 722212235 /nfs/dbraw/zinc/21/22/35/722212235.db2.gz ALIBSZLHZGSWPX-DEOSSOPVSA-N 1 0 464.549 2.481 20 0 JEADRO OC[C@]12C[NH2+]C[C@@H]1CN([C@@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164405175 718852057 /nfs/dbraw/zinc/85/20/57/718852057.db2.gz LJOWTAPUHZRLEB-LPTQZCDUSA-N 1 0 452.361 2.435 20 0 JEADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)C2 ZINC001164616142 719010143 /nfs/dbraw/zinc/01/01/43/719010143.db2.gz KLURKQVBISXEEL-KXBFYZLASA-N 1 0 492.976 2.077 20 0 JEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3S(=O)(=O)N3CCCC3)CC2)CC1 ZINC001164616378 719029602 /nfs/dbraw/zinc/02/96/02/719029602.db2.gz CLNUAYVWIYIUOP-UHFFFAOYSA-N 1 0 450.605 2.110 20 0 JEADRO COC(=O)[C@@H]1C[NH2+]CCN1[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164635815 719134339 /nfs/dbraw/zinc/13/43/39/719134339.db2.gz XEHGSMNJMLRAMQ-YWZLYKJASA-N 1 0 454.333 2.368 20 0 JEADRO CN(C)C(=O)CN1CC[C@]2(CN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2c2ccccc2)C1=O ZINC001164630669 719143281 /nfs/dbraw/zinc/14/32/81/719143281.db2.gz LNGHFIZAFDWUNJ-QDPGVEIFSA-N 1 0 491.636 2.467 20 0 JEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@@H]2CCCO[C@@H]12 ZINC001164653525 719320056 /nfs/dbraw/zinc/32/00/56/719320056.db2.gz NNDHYCAMPUBKPZ-JXHRLWIKSA-N 1 0 455.559 2.266 20 0 JEADRO C[NH+]1CCN(c2cccc(N3CC[C@]4(CC(C(=O)NCc5ccc(F)cc5)=NO4)C3)n2)CC1 ZINC001164654576 719322208 /nfs/dbraw/zinc/32/22/08/719322208.db2.gz SCLAESBREHURCN-DEOSSOPVSA-N 1 0 452.534 2.014 20 0 JEADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164684229 719609274 /nfs/dbraw/zinc/60/92/74/719609274.db2.gz NMRHNLRNPFPONC-UHFFFAOYSA-N 1 0 455.941 2.247 20 0 JEADRO COC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164681382 719660408 /nfs/dbraw/zinc/66/04/08/719660408.db2.gz NESTXWPBPTWXSN-GOSISDBHSA-N 1 0 451.571 2.357 20 0 JEADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)cnc3C(N)=O)CC2)c2ccccc21 ZINC001164680739 719665096 /nfs/dbraw/zinc/66/50/96/719665096.db2.gz IKKZEBXAIPEAAT-MRXNPFEDSA-N 1 0 471.005 2.322 20 0 JEADRO COC(=O)c1cncnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680722 719670316 /nfs/dbraw/zinc/67/03/16/719670316.db2.gz HESVJSCFYJPFHG-SFHVURJKSA-N 1 0 451.571 2.357 20 0 JEADRO Cc1cc2c(c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n1)C(=O)NC2=O ZINC001164680709 719676344 /nfs/dbraw/zinc/67/63/44/719676344.db2.gz HDULMKLGXDFRHE-GOSISDBHSA-N 1 0 475.593 2.367 20 0 JEADRO Cc1cc2c(c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n1)C(=O)NC2=O ZINC001164680718 719676538 /nfs/dbraw/zinc/67/65/38/719676538.db2.gz HDULMKLGXDFRHE-SFHVURJKSA-N 1 0 475.593 2.367 20 0 JEADRO CCNS(=O)(=O)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164681508 719677192 /nfs/dbraw/zinc/67/71/92/719677192.db2.gz MFONABIKKINEOD-FQEVSTJZSA-N 1 0 499.681 2.473 20 0 JEADRO CN(C)S(=O)(=O)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164684561 719677462 /nfs/dbraw/zinc/67/74/62/719677462.db2.gz UURCAAJIRZKPPJ-HXUWFJFHSA-N 1 0 499.681 2.425 20 0 JEADRO CNS(=O)(=O)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164681545 719677779 /nfs/dbraw/zinc/67/77/79/719677779.db2.gz MSUMDGFAJHEUKV-LJQANCHMSA-N 1 0 485.654 2.083 20 0 JEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)CC2 ZINC001164690290 719746071 /nfs/dbraw/zinc/74/60/71/719746071.db2.gz YNCKCUYFZUXVPX-UHFFFAOYSA-N 1 0 467.593 2.123 20 0 JEADRO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2O1 ZINC001164702162 719819849 /nfs/dbraw/zinc/81/98/49/719819849.db2.gz RDXCYQPGTGBBLL-AKIFATBCSA-N 1 0 465.598 2.294 20 0 JEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)CC2 ZINC001164719510 720120546 /nfs/dbraw/zinc/12/05/46/720120546.db2.gz XRHQCHWTFRNTCE-HKUYNNGSSA-N 1 0 451.575 2.156 20 0 JEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)CC2 ZINC001164719511 720120861 /nfs/dbraw/zinc/12/08/61/720120861.db2.gz XRHQCHWTFRNTCE-IEBWSBKVSA-N 1 0 451.575 2.156 20 0 JEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164710802 720149772 /nfs/dbraw/zinc/14/97/72/720149772.db2.gz CUVUWTNAIDNLFC-KRWDZBQOSA-N 1 0 466.007 2.285 20 0 JEADRO Cn1nnc2c1CCN(c1ncccc1C(=O)N1CCCCC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715753 720169050 /nfs/dbraw/zinc/16/90/50/720169050.db2.gz WIHQHUNSEYAAAP-OAQYLSRUSA-N 1 0 453.591 2.052 20 0 JEADRO CCOC(=O)c1nc2ccccc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164714067 720170443 /nfs/dbraw/zinc/17/04/43/720170443.db2.gz OAIQUUJAIVVSEA-HXUWFJFHSA-N 1 0 465.558 2.151 20 0 JEADRO Cn1nnc2c1CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711447 720172896 /nfs/dbraw/zinc/17/28/96/720172896.db2.gz BXLCTNAAGSBPCI-QGZVFWFLSA-N 1 0 458.567 2.168 20 0 JEADRO COC(=O)c1ccc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1Cl ZINC001164715423 720173619 /nfs/dbraw/zinc/17/36/19/720173619.db2.gz BQVHVQAXWWLJSQ-MRXNPFEDSA-N 1 0 484.935 2.411 20 0 JEADRO CCOC(=O)c1cc2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2[nH]1 ZINC001164719486 720178035 /nfs/dbraw/zinc/17/80/35/720178035.db2.gz VLLXOWOGBQUBGY-LJQANCHMSA-N 1 0 453.547 2.084 20 0 JEADRO COc1cc2nc(C)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2cc1OC ZINC001164719607 720182766 /nfs/dbraw/zinc/18/27/66/720182766.db2.gz WPEBUFYZOGKXRR-HXUWFJFHSA-N 1 0 467.574 2.300 20 0 JEADRO CCOC(Cc1c(Cl)ncnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1)OCC ZINC001164718746 720182885 /nfs/dbraw/zinc/18/28/85/720182885.db2.gz QDUOJWORFJLNAS-IBGZPJMESA-N 1 0 494.040 2.416 20 0 JEADRO COC(=O)c1cc2c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)[nH]c(Cl)cc-2n1 ZINC001164714478 720190721 /nfs/dbraw/zinc/19/07/21/720190721.db2.gz FXNBQCPVRQXHGY-SFHVURJKSA-N 1 0 473.965 2.348 20 0 JEADRO COC(=O)C[C@@H](c1ccnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1)C1CC1 ZINC001164714554 720194863 /nfs/dbraw/zinc/19/48/63/720194863.db2.gz GNDZMJKUUJGGID-IRLDBZIGSA-N 1 0 468.602 2.483 20 0 JEADRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(NC(=O)c2ccccc2)n1 ZINC001164718501 720201460 /nfs/dbraw/zinc/20/14/60/720201460.db2.gz ZYLQQMTXKVIYIG-OAQYLSRUSA-N 1 0 476.585 2.382 20 0 JEADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)[nH]1 ZINC001164813961 720229741 /nfs/dbraw/zinc/22/97/41/720229741.db2.gz QFXPUWIWJFBSTK-UHFFFAOYSA-N 1 0 459.938 2.205 20 0 JEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CCC2 ZINC001164814613 720230953 /nfs/dbraw/zinc/23/09/53/720230953.db2.gz ZGOWXTQYTGZSDB-UHFFFAOYSA-N 1 0 456.591 2.366 20 0 JEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CCC2 ZINC001164813215 720238942 /nfs/dbraw/zinc/23/89/42/720238942.db2.gz LHZRAANWXAJIKX-UHFFFAOYSA-N 1 0 452.897 2.310 20 0 JEADRO CCOC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1C(=O)OCC ZINC001164816907 720247915 /nfs/dbraw/zinc/24/79/15/720247915.db2.gz NXHXOSBZCIOLON-UHFFFAOYSA-N 1 0 471.558 2.242 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2C(N)=O)CC1 ZINC001164829458 720334757 /nfs/dbraw/zinc/33/47/57/720334757.db2.gz MIAROPBGFGZSGU-SJORKVTESA-N 1 0 455.937 2.290 20 0 JEADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164827996 720341763 /nfs/dbraw/zinc/34/17/63/720341763.db2.gz NUQMDAJXLXRFLG-NYVOZVTQSA-N 1 0 477.675 2.460 20 0 JEADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164829534 720341808 /nfs/dbraw/zinc/34/18/08/720341808.db2.gz SKUPTEDHTAQCAI-RTWAWAEBSA-N 1 0 477.675 2.460 20 0 JEADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164829533 720341934 /nfs/dbraw/zinc/34/19/34/720341934.db2.gz SKUPTEDHTAQCAI-NHCUHLMSSA-N 1 0 477.675 2.460 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC001164827394 720346151 /nfs/dbraw/zinc/34/61/51/720346151.db2.gz LHPRDKXEGUQJCJ-LEWJYISDSA-N 1 0 475.659 2.168 20 0 JEADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1C(=O)OCC ZINC001164824407 720355139 /nfs/dbraw/zinc/35/51/39/720355139.db2.gz IFXBFMGGDADWHT-RTWAWAEBSA-N 1 0 472.586 2.347 20 0 JEADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1C(=O)OCC ZINC001164824408 720355307 /nfs/dbraw/zinc/35/53/07/720355307.db2.gz IFXBFMGGDADWHT-SFTDATJTSA-N 1 0 472.586 2.347 20 0 JEADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(c4cc(C[NH+](C)C)ccn4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001164822371 720356910 /nfs/dbraw/zinc/35/69/10/720356910.db2.gz DIDVZLILPDCPFJ-SQJMNOBHSA-N 1 0 491.702 2.174 20 0 JEADRO C[NH+]1CCN(c2ccc(N3CCOC[C@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)nn2)CC1 ZINC001164723441 720491183 /nfs/dbraw/zinc/49/11/83/720491183.db2.gz BXQMTSVSFJWCCM-CYFREDJKSA-N 1 0 456.566 2.092 20 0 JEADRO CC[C@@H]1C(=O)N(C)c2cnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2N1C1CCCC1 ZINC001164731337 720514738 /nfs/dbraw/zinc/51/47/38/720514738.db2.gz WJCNWXNERWKGCB-PKOBYXMFSA-N 1 0 452.607 2.375 20 0 JEADRO CC[C@H]1C(=O)N(C)c2cnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nc2N1C1CCCC1 ZINC001164731334 720514820 /nfs/dbraw/zinc/51/48/20/720514820.db2.gz WJCNWXNERWKGCB-MJGOQNOKSA-N 1 0 452.607 2.375 20 0 JEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164839453 720524744 /nfs/dbraw/zinc/52/47/44/720524744.db2.gz UPWMOKJODXVUPK-QYZOEREBSA-N 1 0 468.631 2.497 20 0 JEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3S(=O)(=O)N3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835512 720572490 /nfs/dbraw/zinc/57/24/90/720572490.db2.gz HPNNUPIFVUBALO-PCCBWWKXSA-N 1 0 458.632 2.440 20 0 JEADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842787 720610849 /nfs/dbraw/zinc/61/08/49/720610849.db2.gz VNSIKGPYKLJHQH-QHAWAJNXSA-N 1 0 465.602 2.486 20 0 JEADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3S(=O)(=O)CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836966 720645207 /nfs/dbraw/zinc/64/52/07/720645207.db2.gz AKJCYJRTPXASGV-YQQAZPJKSA-N 1 0 450.996 2.034 20 0 JEADRO 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COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164751821 720844680 /nfs/dbraw/zinc/84/46/80/720844680.db2.gz YYOUZEFLQLFOAE-ZMSDIMECSA-N 1 0 470.965 2.369 20 0 JEADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)CC[C@H]2C1 ZINC001164855385 720849751 /nfs/dbraw/zinc/84/97/51/720849751.db2.gz UDNPFLNKYONGLP-RDJZCZTQSA-N 1 0 474.936 2.415 20 0 JEADRO O=S(=O)(c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164749878 720852920 /nfs/dbraw/zinc/85/29/20/720852920.db2.gz OMDBVQLGCICDMH-FDFHNCONSA-N 1 0 485.658 2.227 20 0 JEADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747677 720860363 /nfs/dbraw/zinc/86/03/63/720860363.db2.gz JACLCJBTTZLIKV-VDHUWJSZSA-N 1 0 459.982 2.377 20 0 JEADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CCN(Cc4ccccc4)CC3)CC[C@H]2C1 ZINC001164851544 720864860 /nfs/dbraw/zinc/86/48/60/720864860.db2.gz ATBSLQGQRCCAFT-AZGAKELHSA-N 1 0 493.652 2.213 20 0 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c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972691 722138626 /nfs/dbraw/zinc/13/86/26/722138626.db2.gz AGYSPCAVQNXFSW-YADHBBJMSA-N 1 0 464.618 2.194 20 0 JEADRO C[NH+]1CCC(Oc2ccnc(-n3c([C@H]4COCCN4)nccc3=NCc3ccco3)c2)CC1 ZINC001164987583 722172971 /nfs/dbraw/zinc/17/29/71/722172971.db2.gz OLXQKBQQMRBYGF-OAQYLSRUSA-N 1 0 450.543 2.095 20 0 JEADRO C[NH+]1CCN(c2cccc(N3CC[C@@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@@H]4C3)n2)CC1 ZINC001164992953 722187177 /nfs/dbraw/zinc/18/71/77/722187177.db2.gz WTEICDFVANCKOR-QPPBQGQZSA-N 1 0 455.628 2.015 20 0 JEADRO C[NH+]1CCN(c2cccc(N3CC[C@@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@H]4C3)n2)CC1 ZINC001164992955 722187215 /nfs/dbraw/zinc/18/72/15/722187215.db2.gz WTEICDFVANCKOR-URXFXBBRSA-N 1 0 455.628 2.015 20 0 JEADRO CC(=O)NCc1ncn2c1CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)CCC2 ZINC001165000079 722228201 /nfs/dbraw/zinc/22/82/01/722228201.db2.gz PVNIEKZITJGUMG-IBGZPJMESA-N 1 0 497.644 2.123 20 0 JEADRO 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c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164415848 718885736 /nfs/dbraw/zinc/88/57/36/718885736.db2.gz OAXGNJDGMCTUJR-UHFFFAOYSA-N 1 0 480.642 2.093 20 0 JEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164615564 719016906 /nfs/dbraw/zinc/01/69/06/719016906.db2.gz ISZOLNWOKVUUIB-NJAFHUGGSA-N 1 0 471.627 2.132 20 0 JEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CCC(C(=O)OC)CC4)nn3)CC2)CC1 ZINC001164617843 719028798 /nfs/dbraw/zinc/02/87/98/719028798.db2.gz PSVRTFJVTZKYKY-UHFFFAOYSA-N 1 0 459.591 2.110 20 0 JEADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)CC1 ZINC001164616462 719031332 /nfs/dbraw/zinc/03/13/32/719031332.db2.gz CQAMABZUYWMZRD-UHFFFAOYSA-N 1 0 457.623 2.316 20 0 JEADRO CC(C)C[NH+]1CCN(c2nc3cc(CN4CCN(C)CC4)sc3c(N3CCOCC3)n2)CC1 ZINC001164657347 719336525 /nfs/dbraw/zinc/33/65/25/719336525.db2.gz ITFIMUDCLVTZEQ-UHFFFAOYSA-N 1 0 473.691 2.053 20 0 JEADRO COC(=O)c1cc2c(ncnc2N2CC[NH+](CC(C)C)CC2)n1S(=O)(=O)c1ccccc1 ZINC001164657452 719336615 /nfs/dbraw/zinc/33/66/15/719336615.db2.gz MQECSMCQNLKMKI-UHFFFAOYSA-N 1 0 457.556 2.233 20 0 JEADRO COC(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cn1 ZINC001164684587 719656769 /nfs/dbraw/zinc/65/67/69/719656769.db2.gz YDZTWOMEFLPXDU-SFHVURJKSA-N 1 0 451.571 2.357 20 0 JEADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N4CCOCC4)ncn3)CC2)c2ccccc21 ZINC001164683323 719658422 /nfs/dbraw/zinc/65/84/22/719658422.db2.gz VBWJMBBQMDCELB-OAQYLSRUSA-N 1 0 478.641 2.407 20 0 JEADRO C[C@H]1C(=O)Nc2cnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2N1C ZINC001164681146 719669825 /nfs/dbraw/zinc/66/98/25/719669825.db2.gz KDTYTQAIAGJEDN-OALUTQOASA-N 1 0 491.640 2.347 20 0 JEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]1)CC2 ZINC001164690289 719737975 /nfs/dbraw/zinc/73/79/75/719737975.db2.gz YKHVCKMPJNHLPV-UHFFFAOYSA-N 1 0 463.582 2.427 20 0 JEADRO CNC(=O)C[N@@H+]1CCCC12CCN([C@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)CC2 ZINC001164689510 719738207 /nfs/dbraw/zinc/73/82/07/719738207.db2.gz FRPHJUNFLGKAJN-HSZRJFAPSA-N 1 0 494.015 2.173 20 0 JEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164714214 720120162 /nfs/dbraw/zinc/12/01/62/720120162.db2.gz ASPPMKXEKKJHOF-NHCUHLMSSA-N 1 0 477.613 2.324 20 0 JEADRO CCNS(=O)(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164710862 720140488 /nfs/dbraw/zinc/14/04/88/720140488.db2.gz FEOAZQLLWHYDNC-FQEVSTJZSA-N 1 0 459.616 2.282 20 0 JEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164710803 720150227 /nfs/dbraw/zinc/15/02/27/720150227.db2.gz CUVUWTNAIDNLFC-QGZVFWFLSA-N 1 0 466.007 2.285 20 0 JEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c1CSCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712917 720171084 /nfs/dbraw/zinc/17/10/84/720171084.db2.gz IGKBJKNJODLULG-QGZVFWFLSA-N 1 0 450.012 2.264 20 0 JEADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719973 720177655 /nfs/dbraw/zinc/17/76/55/720177655.db2.gz ZEJNWRKTHJOZMI-QGZVFWFLSA-N 1 0 484.935 2.411 20 0 JEADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715923 720185553 /nfs/dbraw/zinc/18/55/53/720185553.db2.gz DPPHLEADTHAREX-CQSZACIVSA-N 1 0 484.388 2.305 20 0 JEADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164717149 720191333 /nfs/dbraw/zinc/19/13/33/720191333.db2.gz SSHHJPHLYLADBY-MRXNPFEDSA-N 1 0 459.986 2.405 20 0 JEADRO CC1CCN(C(=O)c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2)CC1 ZINC001164715551 720196964 /nfs/dbraw/zinc/19/69/64/720196964.db2.gz KTGDNXSLQDZEIR-QFIPXVFZSA-N 1 0 467.618 2.298 20 0 JEADRO COC(=O)c1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c2ccccc2c1OC ZINC001164717189 720200742 /nfs/dbraw/zinc/20/07/42/720200742.db2.gz UMYWDQNDFJBZFT-HXUWFJFHSA-N 1 0 480.569 2.375 20 0 JEADRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(NC(=O)c2ccccc2)n1 ZINC001164718497 720201935 /nfs/dbraw/zinc/20/19/35/720201935.db2.gz ZYLQQMTXKVIYIG-NRFANRHFSA-N 1 0 476.585 2.382 20 0 JEADRO Cn1nnc2c1CCN(c1ncc(C(N)=S)c3ccsc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718492 720207246 /nfs/dbraw/zinc/20/72/46/720207246.db2.gz MLCUJMWTDNNAPM-QGZVFWFLSA-N 1 0 457.629 2.275 20 0 JEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)CCC2 ZINC001164815435 720214643 /nfs/dbraw/zinc/21/46/43/720214643.db2.gz ZECYNRHHEOZXMR-UHFFFAOYSA-N 1 0 497.978 2.319 20 0 JEADRO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)CC1 ZINC001164833359 720327386 /nfs/dbraw/zinc/32/73/86/720327386.db2.gz WBLBSIVOQUJWTH-FGZHOGPDSA-N 1 0 484.645 2.168 20 0 JEADRO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164823299 720333239 /nfs/dbraw/zinc/33/32/39/720333239.db2.gz AJKGNIJAYGKAFK-DLBZAZTESA-N 1 0 450.967 2.442 20 0 JEADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164829168 720341488 /nfs/dbraw/zinc/34/14/88/720341488.db2.gz QVWLXQMNWKUJPQ-FCHUYYIVSA-N 1 0 477.675 2.318 20 0 JEADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164826503 720341774 /nfs/dbraw/zinc/34/17/74/720341774.db2.gz KDZXRYLBFJWEHX-YADHBBJMSA-N 1 0 477.675 2.460 20 0 JEADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164829173 720341803 /nfs/dbraw/zinc/34/18/03/720341803.db2.gz QVWLXQMNWKUJPQ-VXKWHMMOSA-N 1 0 477.675 2.318 20 0 JEADRO Cc1nc(CN2CCN(C)C3(CCN(c4nccc(C5CC[NH2+]CC5)n4)CC3)C2=O)cs1 ZINC001164819318 720376169 /nfs/dbraw/zinc/37/61/69/720376169.db2.gz CCKFCMOEKZRKKT-UHFFFAOYSA-N 1 0 455.632 2.022 20 0 JEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)C1 ZINC001164730571 720511459 /nfs/dbraw/zinc/51/14/59/720511459.db2.gz MHOGDNGBQANQHO-QGZVFWFLSA-N 1 0 451.556 2.063 20 0 JEADRO CC[C@H]1C(=O)N(C)c2cnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2N1C1CCCC1 ZINC001164731330 720514755 /nfs/dbraw/zinc/51/47/55/720514755.db2.gz WJCNWXNERWKGCB-HKUYNNGSSA-N 1 0 452.607 2.375 20 0 JEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164745706 720608580 /nfs/dbraw/zinc/60/85/80/720608580.db2.gz VOWQKJAGPOJYTG-IRXDYDNUSA-N 1 0 459.510 2.191 20 0 JEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)CC[C@@H]21 ZINC001164837770 720625709 /nfs/dbraw/zinc/62/57/09/720625709.db2.gz JIBKQDAGKYHKDF-URVUXULASA-N 1 0 458.632 2.440 20 0 JEADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743205 720695527 /nfs/dbraw/zinc/69/55/27/720695527.db2.gz WYUPXGPUWWTNKO-STQMWFEESA-N 1 0 450.952 2.161 20 0 JEADRO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164737134 720696238 /nfs/dbraw/zinc/69/62/38/720696238.db2.gz DSDZMANBUGDANZ-BBTUJRGHSA-N 1 0 464.574 2.088 20 0 JEADRO COc1ccc(Cn2cc3[nH]c(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164738030 720752613 /nfs/dbraw/zinc/75/26/13/720752613.db2.gz DOAORMHONSYZGP-PZJWPPBQSA-N 1 0 472.549 2.378 20 0 JEADRO c1cc(N2CCOCC2)ccc1-c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164744146 720793979 /nfs/dbraw/zinc/79/39/79/720793979.db2.gz HLGPTAZIKRIWDO-FGZHOGPDSA-N 1 0 459.554 2.112 20 0 JEADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](NC(=O)C3CCC3)[C@@H]3COC[C@H]32)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164846563 720802627 /nfs/dbraw/zinc/80/26/27/720802627.db2.gz JIZRQKAHQIUCFQ-XEDHWARRSA-N 1 0 499.656 2.000 20 0 JEADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164747068 720818195 /nfs/dbraw/zinc/81/81/95/720818195.db2.gz ZYUSBGQUDJNQPK-YQVWRLOYSA-N 1 0 450.547 2.106 20 0 JEADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c3)cc21 ZINC001164742631 720826365 /nfs/dbraw/zinc/82/63/65/720826365.db2.gz QFHRZUWHPPERTF-DCLXLUIPSA-N 1 0 472.597 2.334 20 0 JEADRO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742188 720830039 /nfs/dbraw/zinc/83/00/39/720830039.db2.gz QBGLAYGVBFLUOX-JENIJYKNSA-N 1 0 459.982 2.207 20 0 JEADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)C1=O ZINC001164750239 720843535 /nfs/dbraw/zinc/84/35/35/720843535.db2.gz WUZMSWXYAJPIFY-ZHALLVOQSA-N 1 0 471.009 2.465 20 0 JEADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)C1=O ZINC001164750235 720843853 /nfs/dbraw/zinc/84/38/53/720843853.db2.gz WUZMSWXYAJPIFY-JENIJYKNSA-N 1 0 471.009 2.465 20 0 JEADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744584 720845497 /nfs/dbraw/zinc/84/54/97/720845497.db2.gz KUOAAQQHSUEAIH-BHIFYINESA-N 1 0 478.649 2.043 20 0 JEADRO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(N2CCCCCC2)n1 ZINC001164751016 720845679 /nfs/dbraw/zinc/84/56/79/720845679.db2.gz XSCQNTCGEZTNMH-PWRODBHTSA-N 1 0 467.622 2.232 20 0 JEADRO O=S(=O)(c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1)N1CCCCC1 ZINC001164747968 720847406 /nfs/dbraw/zinc/84/74/06/720847406.db2.gz SCSLHVANYJLDLD-FUPPJEDESA-N 1 0 485.658 2.227 20 0 JEADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164741840 720849478 /nfs/dbraw/zinc/84/94/78/720849478.db2.gz FQNMQCCLYNJJDQ-MQSCRBSSSA-N 1 0 487.674 2.377 20 0 JEADRO O=S(=O)(c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164749874 720852629 /nfs/dbraw/zinc/85/26/29/720852629.db2.gz OMDBVQLGCICDMH-BHIFYINESA-N 1 0 485.658 2.227 20 0 JEADRO O=C(NC1CCCC1)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164748666 720852760 /nfs/dbraw/zinc/85/27/60/720852760.db2.gz LMCHPEZJXGUQHD-SYYKKAFVSA-N 1 0 450.591 2.120 20 0 JEADRO O=S(=O)(c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CCCCC1 ZINC001164749869 720852825 /nfs/dbraw/zinc/85/28/25/720852825.db2.gz OMDBVQLGCICDMH-BHDDXSALSA-N 1 0 485.658 2.227 20 0 JEADRO O=C(NC1CCCC1)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164748663 720852875 /nfs/dbraw/zinc/85/28/75/720852875.db2.gz LMCHPEZJXGUQHD-CZTZKLFOSA-N 1 0 450.591 2.120 20 0 JEADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)CC[C@@H]2C1 ZINC001164852723 720855607 /nfs/dbraw/zinc/85/56/07/720855607.db2.gz FOSQKDUIIZZOIH-GCJKJVERSA-N 1 0 470.618 2.422 20 0 JEADRO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164750277 720859899 /nfs/dbraw/zinc/85/98/99/720859899.db2.gz PGVHKAAZOUQUFK-INDMIFKZSA-N 1 0 459.982 2.269 20 0 JEADRO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164750280 720859957 /nfs/dbraw/zinc/85/99/57/720859957.db2.gz PGVHKAAZOUQUFK-WJFTUGDTSA-N 1 0 459.982 2.269 20 0 JEADRO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(c1cc(OC3CC[NH+](C)CC3)ccn1)CCC2 ZINC001164751525 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Cc1oncc1C(=O)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@H]2CCCO[C@@H]21 ZINC001164653528 719320086 /nfs/dbraw/zinc/32/00/86/719320086.db2.gz NNDHYCAMPUBKPZ-XQFWAAQXSA-N 1 0 455.559 2.266 20 0 JEADRO CC(C)N(C)Cc1nn(-c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)c2c1CC[NH2+]C2 ZINC001164682421 719615034 /nfs/dbraw/zinc/61/50/34/719615034.db2.gz CXCZTERRIXRNTM-UHFFFAOYSA-N 1 0 465.583 2.340 20 0 JEADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)ncc3C(N)=O)CC2)c2ccccc21 ZINC001164680028 719662643 /nfs/dbraw/zinc/66/26/43/719662643.db2.gz CPNIVATUCHYGNO-MRXNPFEDSA-N 1 0 471.005 2.322 20 0 JEADRO C[C@H]1C(=O)Nc2cnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2N1C ZINC001164681148 719670159 /nfs/dbraw/zinc/67/01/59/719670159.db2.gz KDTYTQAIAGJEDN-RBUKOAKNSA-N 1 0 491.640 2.347 20 0 JEADRO CNS(=O)(=O)c1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684409 719673108 /nfs/dbraw/zinc/67/31/08/719673108.db2.gz TYUVKXZCNOAHCS-LJQANCHMSA-N 1 0 485.654 2.083 20 0 JEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncccc1C(=O)N1CCN(Cc3ccccc3)CC1)CC2 ZINC001164683670 719729887 /nfs/dbraw/zinc/72/98/87/719729887.db2.gz CBPQXRULVFRKHM-UHFFFAOYSA-N 1 0 490.652 2.220 20 0 JEADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)N4CCS(=O)(=O)CC4)cn2)CC3)cs1 ZINC001164692232 719815132 /nfs/dbraw/zinc/81/51/32/719815132.db2.gz OWQSCQRXGIUENT-UHFFFAOYSA-N 1 0 489.667 2.352 20 0 JEADRO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2O1 ZINC001164702164 719819681 /nfs/dbraw/zinc/81/96/81/719819681.db2.gz RDXCYQPGTGBBLL-PUHATCMVSA-N 1 0 465.598 2.294 20 0 JEADRO COCCNC(=O)[C@H]1Cn2nccc2CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1 ZINC001164697466 719829529 /nfs/dbraw/zinc/82/95/29/719829529.db2.gz OHKILYKXUMKRMF-MRXNPFEDSA-N 1 0 480.947 2.252 20 0 JEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)CC2 ZINC001164719514 720119893 /nfs/dbraw/zinc/11/98/93/720119893.db2.gz XRHQCHWTFRNTCE-PKOBYXMFSA-N 1 0 451.575 2.156 20 0 JEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164712188 720143502 /nfs/dbraw/zinc/14/35/02/720143502.db2.gz KUICMPKFFARWHC-NRFANRHFSA-N 1 0 471.627 2.425 20 0 JEADRO Cn1nnc2c1CCN(c1ncccc1C(=O)NCc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712472 720170353 /nfs/dbraw/zinc/17/03/53/720170353.db2.gz GYQKIDXJHHYLOQ-HSZRJFAPSA-N 1 0 475.597 2.356 20 0 JEADRO CCOC(=O)c1cc2ccnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2[nH]1 ZINC001164719485 720177721 /nfs/dbraw/zinc/17/77/21/720177721.db2.gz VLLXOWOGBQUBGY-IBGZPJMESA-N 1 0 453.547 2.084 20 0 JEADRO CCOC(Cc1c(Cl)ncnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1)OCC ZINC001164718747 720182745 /nfs/dbraw/zinc/18/27/45/720182745.db2.gz QDUOJWORFJLNAS-LJQANCHMSA-N 1 0 494.040 2.416 20 0 JEADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719493 720182916 /nfs/dbraw/zinc/18/29/16/720182916.db2.gz VOTSEBNOXNIQCX-IBGZPJMESA-N 1 0 485.976 2.415 20 0 JEADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715922 720186012 /nfs/dbraw/zinc/18/60/12/720186012.db2.gz DPPHLEADTHAREX-AWEZNQCLSA-N 1 0 484.388 2.305 20 0 JEADRO Cn1nnc2c1CCN(c1nc(-c3ccncc3)nc3c1CCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715163 720200991 /nfs/dbraw/zinc/20/09/91/720200991.db2.gz JIVQGKVFDNGXCU-QFIPXVFZSA-N 1 0 460.586 2.372 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)CC1 ZINC001164821047 720303032 /nfs/dbraw/zinc/30/30/32/720303032.db2.gz JHRDQBMZLPKZJX-MSOLQXFVSA-N 1 0 499.006 2.423 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)CC1 ZINC001164822059 720315817 /nfs/dbraw/zinc/31/58/17/720315817.db2.gz MMGHCOXIXUAQTD-GOTSBHOMSA-N 1 0 462.598 2.274 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ccccc3nc2N2CCOCC2)CC1 ZINC001164827900 720317250 /nfs/dbraw/zinc/31/72/50/720317250.db2.gz JAELQRKGXLKCRG-PKTZIBPZSA-N 1 0 464.614 2.378 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccccc3nc2N2CCOCC2)CC1 ZINC001164827894 720317254 /nfs/dbraw/zinc/31/72/54/720317254.db2.gz JAELQRKGXLKCRG-DHIUTWEWSA-N 1 0 464.614 2.378 20 0 JEADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164827496 720338414 /nfs/dbraw/zinc/33/84/14/720338414.db2.gz MJEJAKWZDJAFOT-RTWAWAEBSA-N 1 0 463.648 2.024 20 0 JEADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164827995 720341946 /nfs/dbraw/zinc/34/19/46/720341946.db2.gz NUQMDAJXLXRFLG-BWAGFHJFSA-N 1 0 477.675 2.460 20 0 JEADRO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164827956 720354112 /nfs/dbraw/zinc/35/41/12/720354112.db2.gz NFCXBTHLSXVFLP-ZIAGYGMSSA-N 1 0 456.374 2.482 20 0 JEADRO CC(C)CNC(=O)[C@]12CCC3(CCN(c4cc(C[NH+](C)C)ccn4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001164822365 720357077 /nfs/dbraw/zinc/35/70/77/720357077.db2.gz DIDVZLILPDCPFJ-OFVILXPXSA-N 1 0 491.702 2.174 20 0 JEADRO Cc1cc2c(ncnc2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1S(=O)(=O)c1ccccc1 ZINC001164733277 720509192 /nfs/dbraw/zinc/50/91/92/720509192.db2.gz ZTQQAYCYASJYDG-GOSISDBHSA-N 1 0 465.583 2.371 20 0 JEADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc3ccn(S(=O)(=O)c4ccccc4)c3n2)C1 ZINC001164734635 720522946 /nfs/dbraw/zinc/52/29/46/720522946.db2.gz RJMQAKYSFPZJMV-KRWDZBQOSA-N 1 0 451.556 2.063 20 0 JEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164745707 720610210 /nfs/dbraw/zinc/61/02/10/720610210.db2.gz VOWQKJAGPOJYTG-SJORKVTESA-N 1 0 459.510 2.191 20 0 JEADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742013 720693530 /nfs/dbraw/zinc/69/35/30/720693530.db2.gz VIHWVANDOCZOCJ-ZMSDIMECSA-N 1 0 456.938 2.311 20 0 JEADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743203 720694711 /nfs/dbraw/zinc/69/47/11/720694711.db2.gz WYUPXGPUWWTNKO-OLZOCXBDSA-N 1 0 450.952 2.161 20 0 JEADRO c1cc(-c2cnc(N3CCCCC3)nc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737054 720720579 /nfs/dbraw/zinc/72/05/79/720720579.db2.gz CSVCXIDBCKVUDK-PMACEKPBSA-N 1 0 459.558 2.056 20 0 JEADRO c1cc(-c2cnc(N3CCCCC3)nc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737057 720721127 /nfs/dbraw/zinc/72/11/27/720721127.db2.gz CSVCXIDBCKVUDK-WOJBJXKFSA-N 1 0 459.558 2.056 20 0 JEADRO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743370 720727202 /nfs/dbraw/zinc/72/72/02/720727202.db2.gz PTGQFGDWPPNXGX-ICSRJNTNSA-N 1 0 480.594 2.470 20 0 JEADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164745856 720736613 /nfs/dbraw/zinc/73/66/13/720736613.db2.gz WAYYOLOPFIMUAS-DLBZAZTESA-N 1 0 470.574 2.490 20 0 JEADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738543 720739995 /nfs/dbraw/zinc/73/99/95/720739995.db2.gz FYFGSNAZAYLNAU-FOIQLMIDSA-N 1 0 480.569 2.384 20 0 JEADRO 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CC[NH+](CC)C1CCN(c2nc3ccc(OC)cc3nc2O[C@@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001165052971 722002968 /nfs/dbraw/zinc/00/29/68/722002968.db2.gz HCCLYTWDISEBTR-RXVVDRJESA-N 1 0 457.575 2.231 20 0 JEADRO CC(=O)N1CCC[C@]2(C1)CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)CCO2 ZINC001164968814 722083859 /nfs/dbraw/zinc/08/38/59/722083859.db2.gz HQFKBYDSACLILP-FNZWTVRRSA-N 1 0 487.645 2.098 20 0 JEADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc-2n1 ZINC001164980543 722114353 /nfs/dbraw/zinc/11/43/53/722114353.db2.gz RSZLJFNECWEUQN-LAUBAEHRSA-N 1 0 451.527 2.480 20 0 JEADRO CCOC(=O)C1CCN(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164975213 722128721 /nfs/dbraw/zinc/12/87/21/722128721.db2.gz FSSFPQJWZOZAIM-XZOQPEGZSA-N 1 0 480.613 2.378 20 0 JEADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979579 722134801 /nfs/dbraw/zinc/13/48/01/722134801.db2.gz LIJZEKMCJDCMEA-CRAIPNDOSA-N 1 0 487.960 2.050 20 0 JEADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164992306 722188505 /nfs/dbraw/zinc/18/85/05/722188505.db2.gz ZTMQTKBBDMULAN-UHFFFAOYSA-N 1 0 471.605 2.495 20 0 JEADRO CCOC(=O)c1ccnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C(=O)OCC ZINC001165003376 722258225 /nfs/dbraw/zinc/25/82/25/722258225.db2.gz AQEGEGIIULKGIT-UHFFFAOYSA-N 1 0 459.547 2.120 20 0 JEADRO OC[C@]12C[NH2+]C[C@H]1CN([C@@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164405178 718852088 /nfs/dbraw/zinc/85/20/88/718852088.db2.gz LJOWTAPUHZRLEB-RVHYNSKXSA-N 1 0 452.361 2.435 20 0 JEADRO C[NH+]1CCN(c2ccc(N3CCO[C@H](c4ncn5c4cccc5Br)C3)nn2)CC1 ZINC001164422049 718889635 /nfs/dbraw/zinc/88/96/35/718889635.db2.gz ZLEBCKYMZRGUTL-INIZCTEOSA-N 1 0 458.364 2.217 20 0 JEADRO COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164427795 718952699 /nfs/dbraw/zinc/95/26/99/718952699.db2.gz GGHCSRQLJBYKLD-QFIPXVFZSA-N 1 0 464.614 2.230 20 0 JEADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)CC1 ZINC001164618657 719032774 /nfs/dbraw/zinc/03/27/74/719032774.db2.gz XPNRUAXGOZPIFZ-UHFFFAOYSA-N 1 0 464.994 2.451 20 0 JEADRO O=C(c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1)N1CCS(=O)(=O)CC1 ZINC001164621749 719103629 /nfs/dbraw/zinc/10/36/29/719103629.db2.gz ASKCVFYOTYVOAH-FCHUYYIVSA-N 1 0 454.596 2.053 20 0 JEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N4CCOCC4)ncn3)CC2)c2ccccc21 ZINC001164683315 719658176 /nfs/dbraw/zinc/65/81/76/719658176.db2.gz VBWJMBBQMDCELB-NRFANRHFSA-N 1 0 478.641 2.407 20 0 JEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)cnc3C(N)=O)CC2)c2ccccc21 ZINC001164680736 719664498 /nfs/dbraw/zinc/66/44/98/719664498.db2.gz IKKZEBXAIPEAAT-INIZCTEOSA-N 1 0 471.005 2.322 20 0 JEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc(N4CCOCC4)n3)CC2)c2ccccc21 ZINC001164680335 719673509 /nfs/dbraw/zinc/67/35/09/719673509.db2.gz CVMCGHCTYKQUHA-NRFANRHFSA-N 1 0 478.641 2.407 20 0 JEADRO CN(C)C(=O)c1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680732 719678836 /nfs/dbraw/zinc/67/88/36/719678836.db2.gz HGRCTHQRAWQGEP-LJQANCHMSA-N 1 0 464.614 2.272 20 0 JEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)CC2 ZINC001164685857 719726320 /nfs/dbraw/zinc/72/63/20/719726320.db2.gz NRTSELDAHUNOTM-UHFFFAOYSA-N 1 0 450.591 2.105 20 0 JEADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)CC2 ZINC001164689830 719748130 /nfs/dbraw/zinc/74/81/30/719748130.db2.gz LANZPKJVNSJGNZ-UHFFFAOYSA-N 1 0 479.553 2.341 20 0 JEADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4c(c(N5CCOCC5)n2)CNC4)CC3)cs1 ZINC001164691314 719812717 /nfs/dbraw/zinc/81/27/17/719812717.db2.gz FSPJSLLNVZFLSJ-UHFFFAOYSA-N 1 0 455.632 2.316 20 0 JEADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164811034 720133596 /nfs/dbraw/zinc/13/35/96/720133596.db2.gz KOWAWRGFHHEADL-KSFYIVLOSA-N 1 0 462.982 2.228 20 0 JEADRO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711717 720138334 /nfs/dbraw/zinc/13/83/34/720138334.db2.gz IJANGSPCFCDICA-TYFQNXAESA-N 1 0 487.626 2.293 20 0 JEADRO CN(C)C(=O)N1CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001164714503 720162036 /nfs/dbraw/zinc/16/20/36/720162036.db2.gz PXSMUZUBPDSXDJ-RUZDIDTESA-N 1 0 454.619 2.110 20 0 JEADRO Cn1nnc2c1CCN(c1ncccc1C(=O)NCc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712473 720170273 /nfs/dbraw/zinc/17/02/73/720170273.db2.gz GYQKIDXJHHYLOQ-QHCPKHFHSA-N 1 0 475.597 2.356 20 0 JEADRO Cn1nnc2c1CCN(c1ncccc1C(=O)NC1CCCCC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712284 720170456 /nfs/dbraw/zinc/17/04/56/720170456.db2.gz FCVREPALPYZIIM-JOCHJYFZSA-N 1 0 467.618 2.489 20 0 JEADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)nn2)C1 ZINC001164815057 720171512 /nfs/dbraw/zinc/17/15/12/720171512.db2.gz HQBZDCANNKWXSB-CZSZKKDXSA-N 1 0 457.619 2.441 20 0 JEADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719135 720179987 /nfs/dbraw/zinc/17/99/87/720179987.db2.gz SJVRHUPDDGXFEQ-INIZCTEOSA-N 1 0 484.935 2.411 20 0 JEADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719137 720180122 /nfs/dbraw/zinc/18/01/22/720180122.db2.gz SJVRHUPDDGXFEQ-MRXNPFEDSA-N 1 0 484.935 2.411 20 0 JEADRO CCOC(=O)c1cc2cccnc2nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164720042 720181732 /nfs/dbraw/zinc/18/17/32/720181732.db2.gz ZNUDZGINIWKAIL-FQEVSTJZSA-N 1 0 465.558 2.151 20 0 JEADRO COC(=O)C[C@@H](c1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1)C1CC1 ZINC001164714549 720195149 /nfs/dbraw/zinc/19/51/49/720195149.db2.gz GNDZMJKUUJGGID-IFMALSPDSA-N 1 0 468.602 2.483 20 0 JEADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717118 720196191 /nfs/dbraw/zinc/19/61/91/720196191.db2.gz SIIFRJHUJKJARU-KRWDZBQOSA-N 1 0 484.935 2.411 20 0 JEADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C2)C1 ZINC001164720539 720234932 /nfs/dbraw/zinc/23/49/32/720234932.db2.gz YAADVQWIHUGWQN-HHHXNRCGSA-N 1 0 463.626 2.305 20 0 JEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1S(=O)(=O)N1CCCCC1)CCC2 ZINC001164814528 720240908 /nfs/dbraw/zinc/24/09/08/720240908.db2.gz XDCZNUJTUNRFEI-UHFFFAOYSA-N 1 0 474.631 2.063 20 0 JEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)CCC2 ZINC001164818038 720247267 /nfs/dbraw/zinc/24/72/67/720247267.db2.gz WTFUHOKUBNKZNC-UHFFFAOYSA-N 1 0 489.976 2.491 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccsc3c(N3CCOCC3)n2)CC1 ZINC001164825918 720300872 /nfs/dbraw/zinc/30/08/72/720300872.db2.gz UQBBZKDYTYUDPB-PMACEKPBSA-N 1 0 470.643 2.439 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccccc3nc2N2CCOCC2)CC1 ZINC001164827897 720317151 /nfs/dbraw/zinc/31/71/51/720317151.db2.gz JAELQRKGXLKCRG-GOTSBHOMSA-N 1 0 464.614 2.378 20 0 JEADRO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164827954 720353690 /nfs/dbraw/zinc/35/36/90/720353690.db2.gz NFCXBTHLSXVFLP-UONOGXRCSA-N 1 0 456.374 2.482 20 0 JEADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2C1 ZINC001164830671 720355432 /nfs/dbraw/zinc/35/54/32/720355432.db2.gz WMRVQOIXEXIMMZ-BVYCBKJFSA-N 1 0 455.603 2.056 20 0 JEADRO COc1cc2cc[nH+]c(N3Cc4ncn(C)c4[C@@H](COCCN4CCOCC4)C3)c2cc1OC ZINC001164831766 720456252 /nfs/dbraw/zinc/45/62/52/720456252.db2.gz PYSUFVFRDXAEGV-LJQANCHMSA-N 1 0 467.570 2.438 20 0 JEADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC001164731251 720507849 /nfs/dbraw/zinc/50/78/49/720507849.db2.gz OTIQKFQBRKYAQV-SFHVURJKSA-N 1 0 465.583 2.371 20 0 JEADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)C1=O ZINC001164735658 720522395 /nfs/dbraw/zinc/52/23/95/720522395.db2.gz ZUAPAVOACZXSLE-WAIKUNEKSA-N 1 0 491.015 2.411 20 0 JEADRO CCOC(=O)C1CCN(c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)CC1 ZINC001164729510 720572182 /nfs/dbraw/zinc/57/21/82/720572182.db2.gz PWTGEDQVMAXVQP-UHFFFAOYSA-N 1 0 453.591 2.111 20 0 JEADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164842167 720578244 /nfs/dbraw/zinc/57/82/44/720578244.db2.gz XBJISLSDDBKPEX-KCZVDYSFSA-N 1 0 483.617 2.064 20 0 JEADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164745704 720610813 /nfs/dbraw/zinc/61/08/13/720610813.db2.gz VOWQKJAGPOJYTG-DLBZAZTESA-N 1 0 459.510 2.191 20 0 JEADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837767 720625990 /nfs/dbraw/zinc/62/59/90/720625990.db2.gz JIBKQDAGKYHKDF-JAXLGGSGSA-N 1 0 458.632 2.440 20 0 JEADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3S(=O)(=O)CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836962 720644559 /nfs/dbraw/zinc/64/45/59/720644559.db2.gz AKJCYJRTPXASGV-HLLBOEOZSA-N 1 0 450.996 2.034 20 0 JEADRO Cc1cc2c(ncnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164746252 720652239 /nfs/dbraw/zinc/65/22/39/720652239.db2.gz WKFNCVUCHNWURY-MOPGFXCFSA-N 1 0 491.577 2.109 20 0 JEADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164736765 720695391 /nfs/dbraw/zinc/69/53/91/720695391.db2.gz BAKOLUREFXJFJJ-SFHLNBCPSA-N 1 0 478.601 2.113 20 0 JEADRO CN(C)C(=O)c1cc2cnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164740120 720697212 /nfs/dbraw/zinc/69/72/12/720697212.db2.gz QFCJGIUVRFJWQY-VQTJNVASSA-N 1 0 476.585 2.380 20 0 JEADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741022 720699104 /nfs/dbraw/zinc/69/91/04/720699104.db2.gz RVKNJJAUZLEMIX-SJORKVTESA-N 1 0 451.531 2.110 20 0 JEADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)N3CCS(=O)(=O)CC3)cn1)CC2 ZINC001164840915 720717928 /nfs/dbraw/zinc/71/79/28/720717928.db2.gz SMCCSSYYBQBXSZ-QHCPKHFHSA-N 1 0 498.649 2.212 20 0 JEADRO 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C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(NC(=O)OC(C)(C)C)c4nc[nH]c42)CC3)CC1 ZINC001164797763 721517799 /nfs/dbraw/zinc/51/77/99/721517799.db2.gz MPNCIRKRQWPLAG-UHFFFAOYSA-N 1 0 467.578 2.269 20 0 JEADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C(=O)OCC ZINC001164900290 721522803 /nfs/dbraw/zinc/52/28/03/721522803.db2.gz PTUYFJHBJUESIQ-SJLPKXTDSA-N 1 0 458.490 2.311 20 0 JEADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5scnc5c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164901291 721523820 /nfs/dbraw/zinc/52/38/20/721523820.db2.gz WKBSOSBRTYSAFZ-AEFFLSMTSA-N 1 0 456.547 2.404 20 0 JEADRO COC(=O)C1CCN(c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)CC1 ZINC001164798155 721564398 /nfs/dbraw/zinc/56/43/98/721564398.db2.gz AMQTZOVWZGLJPP-AWRGLXIESA-N 1 0 466.586 2.129 20 0 JEADRO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164800293 721597908 /nfs/dbraw/zinc/59/79/08/721597908.db2.gz OQPRKWIIHAFSLA-HUVFLSCGSA-N 1 0 456.550 2.064 20 0 JEADRO CN(C)S(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907371 721723765 /nfs/dbraw/zinc/72/37/65/721723765.db2.gz RDMLRCWSWYTHQF-HXUWFJFHSA-N 1 0 451.543 2.465 20 0 JEADRO CC[C@@H]1C(=O)Nc2cnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc2N1C1CCCC1 ZINC001165011964 721737738 /nfs/dbraw/zinc/73/77/38/721737738.db2.gz ZMQDNBVKGXCNSP-HXUWFJFHSA-N 1 0 469.634 2.479 20 0 JEADRO Cc1cc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc(N3CCOCC3)c2s1 ZINC001165009842 721740275 /nfs/dbraw/zinc/74/02/75/721740275.db2.gz JKJKABAYXOPXAW-UHFFFAOYSA-N 1 0 458.632 2.359 20 0 JEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(N3CCN(c4ccccc4F)CC3)ncn2)CC1 ZINC001165009948 721746099 /nfs/dbraw/zinc/74/60/99/721746099.db2.gz KAGQSNBJVGDDDI-UHFFFAOYSA-N 1 0 481.620 2.465 20 0 JEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)C[C@@H]21 ZINC001165029019 721823861 /nfs/dbraw/zinc/82/38/61/721823861.db2.gz WLLMFGDMDQLVOF-AJSBUHFISA-N 1 0 471.627 2.234 20 0 JEADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cccc(OCC[NH+]5CCCC5)n4)CCO3)C2)cs1 ZINC001164921797 721831166 /nfs/dbraw/zinc/83/11/66/721831166.db2.gz KVBYGZZBDMWHIU-DEOSSOPVSA-N 1 0 473.643 2.429 20 0 JEADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1 ZINC001164928505 721851528 /nfs/dbraw/zinc/85/15/28/721851528.db2.gz NTMRREGLOKIXSK-LEWJYISDSA-N 1 0 454.600 2.191 20 0 JEADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)cc1 ZINC001164928507 721851804 /nfs/dbraw/zinc/85/18/04/721851804.db2.gz NTMRREGLOKIXSK-RTWAWAEBSA-N 1 0 454.600 2.191 20 0 JEADRO CN1CCN(Cc2cc3nc(N4CC[NH+](C5CCCC5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001165032667 721859057 /nfs/dbraw/zinc/85/90/57/721859057.db2.gz YNQNNLBIKFJHGB-UHFFFAOYSA-N 1 0 485.702 2.340 20 0 JEADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164923155 721874915 /nfs/dbraw/zinc/87/49/15/721874915.db2.gz IUGSSGRROMKLEB-MANSERQUSA-N 1 0 477.604 2.440 20 0 JEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N5CCC[C@H]5C(N)=O)ncn4)CC3)C2)cc1 ZINC001164939436 721932793 /nfs/dbraw/zinc/93/27/93/721932793.db2.gz LHQZATCTCASQIK-NRFANRHFSA-N 1 0 450.587 2.111 20 0 JEADRO COC(=O)c1cc2cnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2n1C ZINC001164959951 722059382 /nfs/dbraw/zinc/05/93/82/722059382.db2.gz AEQJSZAASNNLMT-UHFFFAOYSA-N 1 0 450.543 2.269 20 0 JEADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)c3)cc21 ZINC001164977354 722114864 /nfs/dbraw/zinc/11/48/64/722114864.db2.gz MSTWXVIDCCLHHE-HYBUGGRVSA-N 1 0 458.566 2.485 20 0 JEADRO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2C1 ZINC001164976142 722142155 /nfs/dbraw/zinc/14/21/55/722142155.db2.gz HKWUAZAJGHKAJC-KNQAVFIVSA-N 1 0 452.559 2.114 20 0 JEADRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164998294 722218619 /nfs/dbraw/zinc/21/86/19/722218619.db2.gz VKPLWOSRGJMYAW-VWLOTQADSA-N 1 0 464.570 2.383 20 0 JEADRO CCOC(=O)c1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1C(=O)OCC ZINC001165003830 722258244 /nfs/dbraw/zinc/25/82/44/722258244.db2.gz ISUYEPBQJBUYBF-UHFFFAOYSA-N 1 0 459.547 2.120 20 0 JEADRO Nc1nc2c(cnn2CCN2CCN(c3ccc(F)cc3F)CC2)c2nc(-c3ccco3)nn21 ZINC000053006839 563204891 /nfs/dbraw/zinc/20/48/91/563204891.db2.gz JZAMQDDHRXHDFR-UHFFFAOYSA-N 1 0 465.468 2.417 20 0 in-vivo JEADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC(=O)NC5(CC[NH2+]CC5)C4)c32)C1 ZINC001164390700 718809690 /nfs/dbraw/zinc/80/96/90/718809690.db2.gz CUTVIXIVKGFWQV-INIZCTEOSA-N 1 0 454.644 2.470 20 0 JEADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164408265 718852941 /nfs/dbraw/zinc/85/29/41/718852941.db2.gz RSPVWKXCUTXKBJ-WAIKUNEKSA-N 1 0 459.616 2.180 20 0 JEADRO Clc1nc2c(c(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)n1)CN(Cc1ccccc1)CC2 ZINC001164415007 718884836 /nfs/dbraw/zinc/88/48/36/718884836.db2.gz DJPTXNGTRXNRLG-UHFFFAOYSA-N 1 0 450.978 2.379 20 0 JEADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164615563 719016816 /nfs/dbraw/zinc/01/68/16/719016816.db2.gz ISZOLNWOKVUUIB-BPQIPLTHSA-N 1 0 471.627 2.132 20 0 JEADRO COCCOc1cc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2cc1OCCOC ZINC001164682786 719610926 /nfs/dbraw/zinc/61/09/26/719610926.db2.gz FYDLOTHVEIAPCJ-UHFFFAOYSA-N 1 0 484.601 2.352 20 0 JEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)ncc3C(N)=O)CC2)c2ccccc21 ZINC001164680027 719662867 /nfs/dbraw/zinc/66/28/67/719662867.db2.gz CPNIVATUCHYGNO-INIZCTEOSA-N 1 0 471.005 2.322 20 0 JEADRO COC(=O)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164680115 719666986 /nfs/dbraw/zinc/66/69/86/719666986.db2.gz CNZPYWALHJOMOL-GOSISDBHSA-N 1 0 451.571 2.357 20 0 JEADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C(=O)NC4CC4)nn3)CC2)c2ccccc21 ZINC001164681950 719679296 /nfs/dbraw/zinc/67/92/96/719679296.db2.gz OOGDHKJHAYZDGK-IBGZPJMESA-N 1 0 476.625 2.462 20 0 JEADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164687327 719691376 /nfs/dbraw/zinc/69/13/76/719691376.db2.gz RWCVJGKZVLADOD-LJQANCHMSA-N 1 0 454.575 2.081 20 0 JEADRO CC[C@H]1C(=O)Nc2cnc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)nc2N1C1CCCC1 ZINC001164687540 719717409 /nfs/dbraw/zinc/71/74/09/719717409.db2.gz ZIACCSJMZGZSRX-IBGZPJMESA-N 1 0 455.607 2.137 20 0 JEADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)nc2N1C1CCCC1 ZINC001164686526 719719367 /nfs/dbraw/zinc/71/93/67/719719367.db2.gz PBEIZQUSLKCBBO-IBGZPJMESA-N 1 0 469.634 2.161 20 0 JEADRO c1csc(C[N@@H+]2CCOC3(CCN(c4nc(N5CCOCC5)nc5c4CCN5)CC3)C2)c1 ZINC001164695288 719889654 /nfs/dbraw/zinc/88/96/54/719889654.db2.gz LNQVMFBVNAGDQM-UHFFFAOYSA-N 1 0 456.616 2.214 20 0 JEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164712598 720097879 /nfs/dbraw/zinc/09/78/79/720097879.db2.gz XGRNVOTYCICMBS-QHCPKHFHSA-N 1 0 465.598 2.457 20 0 JEADRO CN(C)C(=O)N1CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001164714506 720162263 /nfs/dbraw/zinc/16/22/63/720162263.db2.gz PXSMUZUBPDSXDJ-VWLOTQADSA-N 1 0 454.619 2.110 20 0 JEADRO CCOC(=O)c1cc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2s1 ZINC001164716080 720190791 /nfs/dbraw/zinc/19/07/91/720190791.db2.gz OZONVFHPMNCQAE-KRWDZBQOSA-N 1 0 471.587 2.213 20 0 JEADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c(Cl)ncnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713233 720201405 /nfs/dbraw/zinc/20/14/05/720201405.db2.gz ACOFMNKPEJOJST-CYBMUJFWSA-N 1 0 464.361 2.071 20 0 JEADRO COC(=O)c1cccc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)ccc21 ZINC001164713280 720201803 /nfs/dbraw/zinc/20/18/03/720201803.db2.gz AMXPBROOHQUVNE-NRFANRHFSA-N 1 0 450.543 2.366 20 0 JEADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CCC2 ZINC001164811971 720222226 /nfs/dbraw/zinc/22/22/26/720222226.db2.gz BNQDHPUJSVXJFI-UHFFFAOYSA-N 1 0 461.570 2.170 20 0 JEADRO CC(C)CCNS(=O)(=O)c1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164812887 720237960 /nfs/dbraw/zinc/23/79/60/720237960.db2.gz JVVJNPNOBUSBQN-UHFFFAOYSA-N 1 0 476.647 2.213 20 0 JEADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164812342 720238002 /nfs/dbraw/zinc/23/80/02/720238002.db2.gz FXDSVBNOYQTSGL-UHFFFAOYSA-N 1 0 476.647 2.356 20 0 JEADRO O=C(c1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164815588 720248693 /nfs/dbraw/zinc/24/86/93/720248693.db2.gz CISYIHSDYKQEIG-UHFFFAOYSA-N 1 0 493.637 2.427 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)CC1 ZINC001164821054 720302989 /nfs/dbraw/zinc/30/29/89/720302989.db2.gz JHRDQBMZLPKZJX-ZWKOTPCHSA-N 1 0 499.006 2.423 20 0 JEADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH]1 ZINC001164829048 720325795 /nfs/dbraw/zinc/32/57/95/720325795.db2.gz LLHVWYAVVFZKON-IRXDYDNUSA-N 1 0 460.966 2.309 20 0 JEADRO 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CC1(C)NC(=O)N(Cc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)C1=O ZINC001164909263 721555849 /nfs/dbraw/zinc/55/58/49/721555849.db2.gz UDEXTJKAVCAERK-ICSRJNTNSA-N 1 0 453.518 2.393 20 0 JEADRO O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164798812 721599494 /nfs/dbraw/zinc/59/94/94/721599494.db2.gz GJFUPLDNWUIHJZ-QRQLOZEOSA-N 1 0 476.915 2.080 20 0 JEADRO FC1(F)CCN(c2nc(N3CCOCC3)nc3c2CCN3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906095 721696242 /nfs/dbraw/zinc/69/62/42/721696242.db2.gz LDDKPKICBCXUIU-QHCPKHFHSA-N 1 0 471.556 2.414 20 0 JEADRO FC1(F)CCN(c2nc3c(c(N4CCOCC4)n2)CNC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164904377 721721976 /nfs/dbraw/zinc/72/19/76/721721976.db2.gz CXBPZPXQCVPTOX-QHCPKHFHSA-N 1 0 471.556 2.049 20 0 JEADRO CN(C)S(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907369 721722986 /nfs/dbraw/zinc/72/29/86/721722986.db2.gz RDMLRCWSWYTHQF-FQEVSTJZSA-N 1 0 451.543 2.465 20 0 JEADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(N3CCN(c4ccccc4)CC3)nn2)CC1 ZINC001165011421 721745410 /nfs/dbraw/zinc/74/54/10/721745410.db2.gz XAPXYTOZIVTZBK-UHFFFAOYSA-N 1 0 463.630 2.326 20 0 JEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@@H]21 ZINC001165018640 721804759 /nfs/dbraw/zinc/80/47/59/721804759.db2.gz BRKHXEOKGZQKSB-YFNKSVMNSA-N 1 0 493.656 2.282 20 0 JEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N3CCC[C@H]3C(N)=O)ncn2)CC1 ZINC001165031085 721844157 /nfs/dbraw/zinc/84/41/57/721844157.db2.gz QYKANPROQVPPNQ-IBGZPJMESA-N 1 0 454.575 2.049 20 0 JEADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164925108 721870915 /nfs/dbraw/zinc/87/09/15/721870915.db2.gz MNYXANJFJGCFKC-RPBOFIJWSA-N 1 0 462.642 2.254 20 0 JEADRO c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1 ZINC001164939986 721911867 /nfs/dbraw/zinc/91/18/67/721911867.db2.gz WGNGIXSFFNVEHG-KDURUIRLSA-N 1 0 456.616 2.065 20 0 JEADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)CC3)C2)cc1 ZINC001164938609 721931221 /nfs/dbraw/zinc/93/12/21/721931221.db2.gz AOTNWFWLFUFXES-UHFFFAOYSA-N 1 0 486.638 2.282 20 0 JEADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@@H]4C3)n2)CC1 ZINC001164970054 722082320 /nfs/dbraw/zinc/08/23/20/722082320.db2.gz UAYKIUSCIGONJN-FCHUYYIVSA-N 1 0 453.562 2.226 20 0 JEADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)c3)cc21 ZINC001164977360 722114535 /nfs/dbraw/zinc/11/45/35/722114535.db2.gz MSTWXVIDCCLHHE-YKSBVNFPSA-N 1 0 458.566 2.485 20 0 JEADRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164972526 722138928 /nfs/dbraw/zinc/13/89/28/722138928.db2.gz AAULPEDUZKCHBD-RTWAWAEBSA-N 1 0 453.591 2.383 20 0 JEADRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001164972517 722139149 /nfs/dbraw/zinc/13/91/49/722139149.db2.gz AAULPEDUZKCHBD-LEWJYISDSA-N 1 0 453.591 2.383 20 0 JEADRO CCOC(=O)N1CCc2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2C1 ZINC001164976145 722142132 /nfs/dbraw/zinc/14/21/32/722142132.db2.gz HKWUAZAJGHKAJC-UGKGYDQZSA-N 1 0 452.559 2.114 20 0 JEADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@H]32)cs1 ZINC001164987030 722186061 /nfs/dbraw/zinc/18/60/61/722186061.db2.gz IOPVAVKNGKVJHG-RTWAWAEBSA-N 1 0 458.632 2.490 20 0 JEADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)CCC2 ZINC001165001022 722252130 /nfs/dbraw/zinc/25/21/30/722252130.db2.gz YNPJJRKZNVXVRN-UHFFFAOYSA-N 1 0 495.609 2.353 20 0 JEADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CCC2 ZINC001165003677 722257456 /nfs/dbraw/zinc/25/74/56/722257456.db2.gz GEUIPSVZDKVTBK-UHFFFAOYSA-N 1 0 476.629 2.488 20 0 JEADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)CCC2 ZINC001165004844 722258250 /nfs/dbraw/zinc/25/82/50/722258250.db2.gz VZFYTHLCMVAJMQ-UHFFFAOYSA-N 1 0 477.965 2.368 20 0 JEADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164408262 718852973 /nfs/dbraw/zinc/85/29/73/718852973.db2.gz RSPVWKXCUTXKBJ-HJPURHCSSA-N 1 0 459.616 2.180 20 0 JEADRO OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164409489 718853143 /nfs/dbraw/zinc/85/31/43/718853143.db2.gz VILKAHCJMVWGEC-KOSHJBKYSA-N 1 0 451.596 2.209 20 0 JEADRO OC[C@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164409488 718853310 /nfs/dbraw/zinc/85/33/10/718853310.db2.gz VILKAHCJMVWGEC-HOYKHHGWSA-N 1 0 451.596 2.209 20 0 JEADRO C[N@H+](Cc1ccc(N2CCC[C@@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)nc1)C1CC1 ZINC001164430440 718956541 /nfs/dbraw/zinc/95/65/41/718956541.db2.gz VFIUOWUAYZEWCI-WXVAWEFUSA-N 1 0 491.640 2.048 20 0 JEADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164634419 719135656 /nfs/dbraw/zinc/13/56/56/719135656.db2.gz UZIDTQZLMZQIPW-SFHVURJKSA-N 1 0 453.568 2.142 20 0 JEADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)nn1 ZINC001164640349 719265788 /nfs/dbraw/zinc/26/57/88/719265788.db2.gz SPXUTMONRZRWKJ-BWKNWUBXSA-N 1 0 468.602 2.379 20 0 JEADRO COCCN1CCN(C)C2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)C1=O ZINC001164635650 719271652 /nfs/dbraw/zinc/27/16/52/719271652.db2.gz SOTIYLIHHKYNCA-UHFFFAOYSA-N 1 0 463.626 2.399 20 0 JEADRO Cc1oncc1C(=O)N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@H]2CCCO[C@H]21 ZINC001164653526 719320094 /nfs/dbraw/zinc/32/00/94/719320094.db2.gz NNDHYCAMPUBKPZ-KKLQWCBXSA-N 1 0 455.559 2.266 20 0 JEADRO CC(C)n1nc(CN(c2nccs2)c2ccnc(N3CCN(C)CC3)n2)c2c1C[NH2+]CC2 ZINC001164711203 720091392 /nfs/dbraw/zinc/09/13/92/720091392.db2.gz PIDWRAPFINGQDX-UHFFFAOYSA-N 1 0 453.620 2.446 20 0 JEADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164712499 720104863 /nfs/dbraw/zinc/10/48/63/720104863.db2.gz WFOMTQAXUZXEHC-IBGZPJMESA-N 1 0 474.009 2.264 20 0 JEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164718996 720109185 /nfs/dbraw/zinc/10/91/85/720109185.db2.gz UOVZGNJYYRJTDF-OAQYLSRUSA-N 1 0 479.629 2.184 20 0 JEADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccnc(N3CCN(C)CC3)n1)CC2 ZINC001164711714 720149845 /nfs/dbraw/zinc/14/98/45/720149845.db2.gz IIPFNMKNRORBMF-JOCHJYFZSA-N 1 0 451.619 2.131 20 0 JEADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)nn2)C1 ZINC001164815058 720171930 /nfs/dbraw/zinc/17/19/30/720171930.db2.gz HQBZDCANNKWXSB-DNRQZRRGSA-N 1 0 457.619 2.441 20 0 JEADRO COC(=O)c1ccc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1Cl ZINC001164715422 720173439 /nfs/dbraw/zinc/17/34/39/720173439.db2.gz BQVHVQAXWWLJSQ-INIZCTEOSA-N 1 0 484.935 2.411 20 0 JEADRO CCOC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cc1OCC ZINC001164719472 720180709 /nfs/dbraw/zinc/18/07/09/720180709.db2.gz VGAASDUJLUXRFH-LJQANCHMSA-N 1 0 458.563 2.002 20 0 JEADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164717806 720181855 /nfs/dbraw/zinc/18/18/55/720181855.db2.gz MNXWFCGTXMDYBE-OAHLLOKOSA-N 1 0 496.037 2.373 20 0 JEADRO Cn1nnc2c1CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)[C@H]2COCC[NH+]1CCCC1 ZINC001164719624 720182753 /nfs/dbraw/zinc/18/27/53/720182753.db2.gz XARVJNXWYQXDHQ-FQEVSTJZSA-N 1 0 496.616 2.323 20 0 JEADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164713218 720191210 /nfs/dbraw/zinc/19/12/10/720191210.db2.gz AAPXTFUHNCDDBT-RRFGBZISSA-N 1 0 465.558 2.094 20 0 JEADRO COC(=O)c1ccc2cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)ncc2c1 ZINC001164716657 720194875 /nfs/dbraw/zinc/19/48/75/720194875.db2.gz QZABIJBXVHUOAN-OAQYLSRUSA-N 1 0 450.543 2.366 20 0 JEADRO CC1CCN(C(=O)c2cccnc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)CC1 ZINC001164718468 720196972 /nfs/dbraw/zinc/19/69/72/720196972.db2.gz ZPKBGXPFENOFBG-JOCHJYFZSA-N 1 0 467.618 2.298 20 0 JEADRO Cn1nnc2c1CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718129 720197263 /nfs/dbraw/zinc/19/72/63/720197263.db2.gz XIIYNXWRBHJDKQ-NRFANRHFSA-N 1 0 477.569 2.260 20 0 JEADRO COc1ccc(CN(C)c2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)n2)cc1 ZINC001164715071 720202738 /nfs/dbraw/zinc/20/27/38/720202738.db2.gz JAGXZWJSQZNTAV-HSZRJFAPSA-N 1 0 492.628 2.466 20 0 JEADRO O=C(c1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164817690 720246821 /nfs/dbraw/zinc/24/68/21/720246821.db2.gz SZTSPJXKTIYZTB-UHFFFAOYSA-N 1 0 493.637 2.427 20 0 JEADRO Cc1sc2nc(CN3CCCC3)nc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)c2c1C ZINC001164815739 720248409 /nfs/dbraw/zinc/24/84/09/720248409.db2.gz DTTKBIZKXYSKHN-UHFFFAOYSA-N 1 0 467.599 2.165 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccsc3c(N3CCOCC3)n2)CC1 ZINC001164825935 720301176 /nfs/dbraw/zinc/30/11/76/720301176.db2.gz UQBBZKDYTYUDPB-VQTJNVASSA-N 1 0 470.643 2.439 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)CC1 ZINC001164821051 720302513 /nfs/dbraw/zinc/30/25/13/720302513.db2.gz JHRDQBMZLPKZJX-ROUUACIJSA-N 1 0 499.006 2.423 20 0 JEADRO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC(C)=O ZINC001164830872 720329973 /nfs/dbraw/zinc/32/99/73/720329973.db2.gz QFUYSWFMGGQLBG-FGZHOGPDSA-N 1 0 495.580 2.392 20 0 JEADRO COC(=O)c1c(Cl)cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164823304 720333130 /nfs/dbraw/zinc/33/31/30/720333130.db2.gz AJKGNIJAYGKAFK-SJORKVTESA-N 1 0 450.967 2.442 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc3[nH]cnc3c(Cl)n2)CC1 ZINC001164821679 720340323 /nfs/dbraw/zinc/34/03/23/720340323.db2.gz BHJTYBLCBPOBRR-KBPBESRZSA-N 1 0 453.925 2.414 20 0 JEADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164829532 720341516 /nfs/dbraw/zinc/34/15/16/720341516.db2.gz SKUPTEDHTAQCAI-LEWJYISDSA-N 1 0 477.675 2.460 20 0 JEADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164826499 720341825 /nfs/dbraw/zinc/34/18/25/720341825.db2.gz KDZXRYLBFJWEHX-FGZHOGPDSA-N 1 0 477.675 2.460 20 0 JEADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(c4cc(C[NH+](C)C)ccn4)CC3)[C@H]1CN(S(C)(=O)=O)C2 ZINC001164822368 720356982 /nfs/dbraw/zinc/35/69/82/720356982.db2.gz DIDVZLILPDCPFJ-PXDATVDWSA-N 1 0 491.702 2.174 20 0 JEADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)C1=O ZINC001164735655 720522319 /nfs/dbraw/zinc/52/23/19/720522319.db2.gz ZUAPAVOACZXSLE-HJPURHCSSA-N 1 0 491.015 2.411 20 0 JEADRO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)CC1 ZINC001164834662 720566871 /nfs/dbraw/zinc/56/68/71/720566871.db2.gz FOMBXURLXUWOTH-BHIFYINESA-N 1 0 467.618 2.440 20 0 JEADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)CC[C@@H]21 ZINC001164842785 720612585 /nfs/dbraw/zinc/61/25/85/720612585.db2.gz VNSIKGPYKLJHQH-HKBOAZHASA-N 1 0 465.602 2.486 20 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C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(CO)ccc2NC(=O)C(C)(C)C)CC1 ZINC001164834003 720330757 /nfs/dbraw/zinc/33/07/57/720330757.db2.gz YLKKMLOMUURABP-RTWAWAEBSA-N 1 0 457.619 2.470 20 0 JEADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)C1=O ZINC001164827786 720333831 /nfs/dbraw/zinc/33/38/31/720333831.db2.gz IRRLVQYIFCZPPM-QZTJIDSGSA-N 1 0 461.010 2.406 20 0 JEADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc3[nH]cnc3c(Cl)n2)CC1 ZINC001164821681 720339918 /nfs/dbraw/zinc/33/99/18/720339918.db2.gz BHJTYBLCBPOBRR-UONOGXRCSA-N 1 0 453.925 2.414 20 0 JEADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)cc2C1 ZINC001164830674 720355232 /nfs/dbraw/zinc/35/52/32/720355232.db2.gz WMRVQOIXEXIMMZ-COPCDDAFSA-N 1 0 455.603 2.056 20 0 JEADRO COc1cc2cc[nH+]c(N3Cc4ncn(C)c4[C@H](COCCN4CCOCC4)C3)c2cc1OC ZINC001164831765 720456493 /nfs/dbraw/zinc/45/64/93/720456493.db2.gz PYSUFVFRDXAEGV-IBGZPJMESA-N 1 0 467.570 2.438 20 0 JEADRO C[NH+]1CCN(c2ccc(N3CCOC[C@@]4(C[C@H](CNc5cccc(F)c5)CO4)C3)nn2)CC1 ZINC001164723447 720491374 /nfs/dbraw/zinc/49/13/74/720491374.db2.gz BXQMTSVSFJWCCM-NTKDMRAZSA-N 1 0 456.566 2.092 20 0 JEADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)C1 ZINC001164733807 720522007 /nfs/dbraw/zinc/52/20/07/720522007.db2.gz LRXWNDSZLWCBET-IVZQSRNASA-N 1 0 476.988 2.387 20 0 JEADRO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)CC1 ZINC001164834660 720565618 /nfs/dbraw/zinc/56/56/18/720565618.db2.gz FOMBXURLXUWOTH-BHDDXSALSA-N 1 0 467.618 2.440 20 0 JEADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164739553 720630535 /nfs/dbraw/zinc/63/05/35/720630535.db2.gz FVSHQHBKLZNNCX-MOPGFXCFSA-N 1 0 491.577 2.109 20 0 JEADRO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164737136 720694671 /nfs/dbraw/zinc/69/46/71/720694671.db2.gz DSDZMANBUGDANZ-LVCYWYKZSA-N 1 0 464.574 2.088 20 0 JEADRO O=C(NCCSCc1ccco1)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743372 720728735 /nfs/dbraw/zinc/72/87/35/720728735.db2.gz PTGQFGDWPPNXGX-QUCCMNQESA-N 1 0 480.594 2.470 20 0 JEADRO COc1ccc(Cn2cc3[nH]c(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164738027 720751789 /nfs/dbraw/zinc/75/17/89/720751789.db2.gz DOAORMHONSYZGP-FPOVZHCZSA-N 1 0 472.549 2.378 20 0 JEADRO Fc1ccccc1N1CCN(c2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)CC1 ZINC001164746439 720772188 /nfs/dbraw/zinc/77/21/88/720772188.db2.gz YDSKZDXBMLIRRC-VQTJNVASSA-N 1 0 476.560 2.074 20 0 JEADRO C[C@@H]1CCCN1C(=O)c1nn(-c2ncnc3c2CN(Cc2ccccc2)CC3)c2c1C[NH2+]CC2 ZINC001164848681 720805589 /nfs/dbraw/zinc/80/55/89/720805589.db2.gz QLCUQIRRWDWKMP-GOSISDBHSA-N 1 0 457.582 2.491 20 0 JEADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737709 720825176 /nfs/dbraw/zinc/82/51/76/720825176.db2.gz CEUKTIZJNIPHOI-RCCFBDPRSA-N 1 0 459.982 2.207 20 0 JEADRO 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O=C(N[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164781819 721380721 /nfs/dbraw/zinc/38/07/21/721380721.db2.gz KKMBTNIADQBQFL-YZUZCNPQSA-N 1 0 451.571 2.365 20 0 JEADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891030 721405568 /nfs/dbraw/zinc/40/55/68/721405568.db2.gz VASPZTZBUJHURS-VGSWGCGISA-N 1 0 451.999 2.001 20 0 JEADRO CCOC(=O)Cc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164891021 721406151 /nfs/dbraw/zinc/40/61/51/721406151.db2.gz VASPZTZBUJHURS-HTAPYJJXSA-N 1 0 451.999 2.001 20 0 JEADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1C ZINC001164896541 721430909 /nfs/dbraw/zinc/43/09/09/721430909.db2.gz RLGKKDJUBKGSME-WAIKUNEKSA-N 1 0 477.009 2.174 20 0 JEADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C3)O2)CC1 ZINC001164891529 721433863 /nfs/dbraw/zinc/43/38/63/721433863.db2.gz GWIKTQRIWZDDSJ-URXFXBBRSA-N 1 0 477.675 2.022 20 0 JEADRO 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C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)N4c4nccs4)C3)n2)CC1 ZINC001164900916 721495088 /nfs/dbraw/zinc/49/50/88/721495088.db2.gz SGIOTCIBUOOJPN-SLFFLAALSA-N 1 0 465.631 2.055 20 0 JEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C(=O)N4CCCCC4)cc(Cl)n2)CC3)CC1 ZINC001164794203 721510595 /nfs/dbraw/zinc/51/05/95/721510595.db2.gz KOUBMJOCLOZMCB-UHFFFAOYSA-N 1 0 458.010 2.325 20 0 JEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c2ncn4Cc2ccccc2)CC3)CC1 ZINC001164794020 721511412 /nfs/dbraw/zinc/51/14/12/721511412.db2.gz BHNGKRANOYKJQL-UHFFFAOYSA-N 1 0 478.004 2.492 20 0 JEADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc(Oc4ccc(F)cc4)n2)CC3)CC1 ZINC001164797280 721516066 /nfs/dbraw/zinc/51/60/66/721516066.db2.gz JOLFOUCDYYSFCR-UHFFFAOYSA-N 1 0 458.929 2.421 20 0 JEADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164799013 721517300 /nfs/dbraw/zinc/51/73/00/721517300.db2.gz VRTMSWHAKWNXDO-VQHVLOKHSA-N 1 0 495.628 2.217 20 0 JEADRO COc1ccc(Cn2cc3[nH]c(N4CCn5cc(CN6CC[NH+](C)CC6)nc5C4)ccc-3c2=O)cc1 ZINC001164798230 721518113 /nfs/dbraw/zinc/51/81/13/721518113.db2.gz PQKMFORLYFPCNU-UHFFFAOYSA-N 1 0 487.608 2.210 20 0 JEADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5scnc5c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164901294 721524773 /nfs/dbraw/zinc/52/47/73/721524773.db2.gz WKBSOSBRTYSAFZ-WMZOPIPTSA-N 1 0 456.547 2.404 20 0 JEADRO COC(=O)C1CCN(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164906787 721543254 /nfs/dbraw/zinc/54/32/54/721543254.db2.gz LHYBOTLEQZVHDI-TZIWHRDSSA-N 1 0 455.534 2.347 20 0 JEADRO COC(=O)C1CCN(c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164911522 721545292 /nfs/dbraw/zinc/54/52/92/721545292.db2.gz XCHVAUVDULFOGW-FPOVZHCZSA-N 1 0 455.534 2.347 20 0 JEADRO COC(=O)C1CCN(c2nccnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)CC1 ZINC001164808837 721566789 /nfs/dbraw/zinc/56/67/89/721566789.db2.gz VXOOOYUVDDLMAF-BHIFYINESA-N 1 0 466.586 2.129 20 0 JEADRO 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JEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@@H]21 ZINC001165030204 721827171 /nfs/dbraw/zinc/82/71/71/721827171.db2.gz YVGQCFUPJJFZSG-ACIOBRDBSA-N 1 0 483.638 2.084 20 0 JEADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)C[C@@H]21 ZINC001165030205 721827282 /nfs/dbraw/zinc/82/72/82/721827282.db2.gz YVGQCFUPJJFZSG-AKIFATBCSA-N 1 0 483.638 2.084 20 0 JEADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001165022000 721843330 /nfs/dbraw/zinc/84/33/30/721843330.db2.gz LVALWSKUVHZUAV-UHFFFAOYSA-N 1 0 490.626 2.221 20 0 JEADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)cc1 ZINC001164928506 721851683 /nfs/dbraw/zinc/85/16/83/721851683.db2.gz NTMRREGLOKIXSK-NHCUHLMSSA-N 1 0 454.600 2.191 20 0 JEADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2[C@@]1(F)CN(C2CCCC2)c2nc(Cl)ncc2NC1=O ZINC001164923873 721876072 /nfs/dbraw/zinc/87/60/72/721876072.db2.gz KLUVTKBJKXNLRW-HMFYCAOWSA-N 1 0 466.005 2.207 20 0 JEADRO 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COC(=O)c1cc2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2n1S(=O)(=O)c1ccccc1 ZINC001164966808 722072453 /nfs/dbraw/zinc/07/24/53/722072453.db2.gz DEWGMBGSGIDKMF-BGYRXZFFSA-N 1 0 496.589 2.359 20 0 JEADRO C(c1nc2sc3c(c2c(N2C[C@@H]4C[N@H+](CC5CC5)C[C@H](C2)O4)n1)CCC3)N1CCOCC1 ZINC001164966958 722075875 /nfs/dbraw/zinc/07/58/75/722075875.db2.gz HOQSAHBAFPTZHG-HDICACEKSA-N 1 0 455.628 2.312 20 0 JEADRO c1nc2c(nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2N2CCOCC2)s1 ZINC001164975567 722108370 /nfs/dbraw/zinc/10/83/70/722108370.db2.gz JURJQRFBGWSSRT-RTBURBONSA-N 1 0 467.599 2.045 20 0 JEADRO c1nc2c(nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2N2CCOCC2)s1 ZINC001164975563 722108441 /nfs/dbraw/zinc/10/84/41/722108441.db2.gz JURJQRFBGWSSRT-OALUTQOASA-N 1 0 467.599 2.045 20 0 JEADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979581 722135226 /nfs/dbraw/zinc/13/52/26/722135226.db2.gz LIJZEKMCJDCMEA-MAUKXSAKSA-N 1 0 487.960 2.050 20 0 JEADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)cc2C1 ZINC001164973965 722158117 /nfs/dbraw/zinc/15/81/17/722158117.db2.gz NPPOPEZKLLTHEK-QTEQDKRBSA-N 1 0 451.571 2.267 20 0 JEADRO c1coc(CN=c2ccnc([C@H]3COCCN3)n2-c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164986498 722173233 /nfs/dbraw/zinc/17/32/33/722173233.db2.gz KSAJEWWCRPJXHD-HXUWFJFHSA-N 1 0 450.543 2.097 20 0 JEADRO COc1nc(N2CCn3ccnc3C2)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994309 722212454 /nfs/dbraw/zinc/21/24/54/722212454.db2.gz ALIBSZLHZGSWPX-XMMPIXPASA-N 1 0 464.549 2.481 20 0 JEADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccccc3nc1N1CCOCC1)CCC2 ZINC001164999826 722253278 /nfs/dbraw/zinc/25/32/78/722253278.db2.gz GMWOZIMAUJDXFR-UHFFFAOYSA-N 1 0 451.575 2.151 20 0 JEADRO CCC(CC)NS(=O)(=O)c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165003855 722256744 /nfs/dbraw/zinc/25/67/44/722256744.db2.gz JTGFZZJDXGDNDN-UHFFFAOYSA-N 1 0 464.636 2.234 20 0 JEADRO 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