smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C1 ZINC000102393365 219199881 /nfs/dbraw/zinc/19/98/81/219199881.db2.gz VBIGHTCLRHISHE-HTBDUDNFSA-N 1 3 330.476 1.653 50 0 EDAAHO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(CCCc1ccco1)C2 ZINC000219226449 241369036 /nfs/dbraw/zinc/36/90/36/241369036.db2.gz BQFUAVTXXYMSDY-GOSISDBHSA-N 1 3 332.448 1.910 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cc(C)nn1C)CC[NH+](C)CC2 ZINC000072473278 203230845 /nfs/dbraw/zinc/23/08/45/203230845.db2.gz IAZKDXZIIOUCKL-QGZVFWFLSA-N 1 3 347.507 1.541 50 0 EDAAHO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCNCC2)nc1 ZINC000067739427 441675043 /nfs/dbraw/zinc/67/50/43/441675043.db2.gz XQOLEWDZCXHUPQ-INIZCTEOSA-N 1 3 331.464 1.095 50 0 EDAAHO C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCNCC2)nc1 ZINC000067739427 441675047 /nfs/dbraw/zinc/67/50/47/441675047.db2.gz XQOLEWDZCXHUPQ-INIZCTEOSA-N 1 3 331.464 1.095 50 0 EDAAHO CCc1c(C)nc(N)nc1N1CCC2(CC1)CN(C)CCC[N@@H+]2C ZINC000095371081 441913949 /nfs/dbraw/zinc/91/39/49/441913949.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 1 3 332.496 1.536 50 0 EDAAHO CCc1c(C)nc(N)nc1N1CCC2(CC1)CN(C)CCC[N@H+]2C ZINC000095371081 441913954 /nfs/dbraw/zinc/91/39/54/441913954.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 1 3 332.496 1.536 50 0 EDAAHO CCc1c(C)nc(N)nc1N1CCC2(CC1)C[N@H+](C)CCCN2C ZINC000095371081 441913959 /nfs/dbraw/zinc/91/39/59/441913959.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 1 3 332.496 1.536 50 0 EDAAHO CCc1c(C)nc(N)nc1N1CCC2(CC1)C[N@@H+](C)CCCN2C ZINC000095371081 441913962 /nfs/dbraw/zinc/91/39/62/441913962.db2.gz YBPWNDBKHRRVJC-UHFFFAOYSA-N 1 3 332.496 1.536 50 0 EDAAHO Cn1cc(C[NH2+]C[C@H](O)CN2CCCCC2)c(-c2ccncc2)n1 ZINC000097160070 442176916 /nfs/dbraw/zinc/17/69/16/442176916.db2.gz USSICYURAHGBRT-KRWDZBQOSA-N 1 3 329.448 1.419 50 0 EDAAHO CN(CCN(C)C1CC1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000343072182 445042650 /nfs/dbraw/zinc/04/26/50/445042650.db2.gz DDJGBGFINWQOOJ-MRXNPFEDSA-N 1 3 325.522 1.757 50 0 EDAAHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CC1CC[NH+](CCO)CC1 ZINC000071871537 287002037 /nfs/dbraw/zinc/00/20/37/287002037.db2.gz HRFFHMMXXXXMIF-SJLPKXTDSA-N 1 3 339.524 1.802 50 0 EDAAHO OCC1(CN[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CCOCC1 ZINC000072143289 304822497 /nfs/dbraw/zinc/82/24/97/304822497.db2.gz VUFVNEFTZWMRSP-MSOLQXFVSA-N 1 3 346.471 1.102 50 0 EDAAHO CN1CCC(O)(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000097602480 441141839 /nfs/dbraw/zinc/14/18/39/441141839.db2.gz DGHNMHVJLFMJCY-GOSISDBHSA-N 1 3 345.487 1.472 50 0 EDAAHO CN1CCC(O)(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000097602480 441141845 /nfs/dbraw/zinc/14/18/45/441141845.db2.gz DGHNMHVJLFMJCY-GOSISDBHSA-N 1 3 345.487 1.472 50 0 EDAAHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(C(=O)OC)C2)CC1 ZINC000088735331 441517700 /nfs/dbraw/zinc/51/77/00/441517700.db2.gz JXYCRSDKLRVIQT-QGZVFWFLSA-N 1 3 346.475 1.759 50 0 EDAAHO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)nc(N)n1 ZINC000095513119 441944009 /nfs/dbraw/zinc/94/40/09/441944009.db2.gz GIBQJDNAQMVGMH-OAHLLOKOSA-N 1 3 346.479 1.136 50 0 EDAAHO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+](C(C)C)C3)CC2)nc(N)n1 ZINC000095513119 441944015 /nfs/dbraw/zinc/94/40/15/441944015.db2.gz GIBQJDNAQMVGMH-OAHLLOKOSA-N 1 3 346.479 1.136 50 0 EDAAHO Cc1cc(N2CCN(C(=O)CSCCN3CCCC3)CC2)cc[nH+]1 ZINC000244659832 243054881 /nfs/dbraw/zinc/05/48/81/243054881.db2.gz HJSUOKNVVDTVEZ-UHFFFAOYSA-N 1 3 348.516 1.868 50 0 EDAAHO CN1CC2(C[C@H]1C(=O)NCCCNc1cccnc1)CC[NH2+]CC2 ZINC000072476730 203231564 /nfs/dbraw/zinc/23/15/64/203231564.db2.gz RVQPKPIWARRZMA-INIZCTEOSA-N 1 3 331.464 1.074 50 0 EDAAHO CCN(CC)Cc1cnc2c(C(=O)NC3CC[NH+](C)CC3)cnn2c1 ZINC000067947576 441699887 /nfs/dbraw/zinc/69/98/87/441699887.db2.gz OGNGIENJTYQQFW-UHFFFAOYSA-N 1 3 344.463 1.395 50 0 EDAAHO CN1CCC(NC(=O)[C@@]2(CCO)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000257191095 443121606 /nfs/dbraw/zinc/12/16/06/443121606.db2.gz OXIZUNGBOBKLQN-HXUWFJFHSA-N 1 3 345.487 1.472 50 0 EDAAHO CN1CCC(NC(=O)[C@@]2(CCO)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000257191095 443121609 /nfs/dbraw/zinc/12/16/09/443121609.db2.gz OXIZUNGBOBKLQN-HXUWFJFHSA-N 1 3 345.487 1.472 50 0 EDAAHO C[C@H]([NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)NC1CC1 ZINC000069597798 203025353 /nfs/dbraw/zinc/02/53/53/203025353.db2.gz MNVKOJLLLQDGDW-HNAYVOBHSA-N 1 3 345.487 1.689 50 0 EDAAHO CC[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CCN1CCOC ZINC000069739230 203043621 /nfs/dbraw/zinc/04/36/21/203043621.db2.gz HZTMICLIZCJDJM-QZTJIDSGSA-N 1 3 327.513 1.122 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCc1nc(CC)no1)CC[NH+](C)CC2 ZINC000072463594 203229435 /nfs/dbraw/zinc/22/94/35/203229435.db2.gz XQKLDYWBJANZOL-AWEZNQCLSA-N 1 3 349.479 1.445 50 0 EDAAHO CN(C)Cc1cccc(CN(C)c2ncnc3c2CC[NH2+]CC3)c1 ZINC000072474855 203230752 /nfs/dbraw/zinc/23/07/52/203230752.db2.gz VQECUDFQJCEAIN-UHFFFAOYSA-N 1 3 325.460 1.863 50 0 EDAAHO CN1CC2(C[C@@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH2+]CC2 ZINC000072410349 203217352 /nfs/dbraw/zinc/21/73/52/203217352.db2.gz UENJZTZEAXBZGD-GOSISDBHSA-N 1 3 343.471 1.957 50 0 EDAAHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCCN(CCCc2ccccc2)CC1 ZINC000102829922 204052181 /nfs/dbraw/zinc/05/21/81/204052181.db2.gz VWHOGUFEZBVXQW-BWTSREIZSA-N 1 3 327.472 1.619 50 0 EDAAHO O[C@@H]1C[NH2+]CC[C@H]1NC1CCN(c2ncc3ccc(F)cc3n2)CC1 ZINC000426370514 447427098 /nfs/dbraw/zinc/42/70/98/447427098.db2.gz QEHYFOPKWKJHRZ-NVXWUHKLSA-N 1 3 345.422 1.050 50 0 EDAAHO C[N+](C)=c1sc2c(s1)c(O)c1sc(=[N+](C)C)sc1c2[O-] ZINC000003847095 440907179 /nfs/dbraw/zinc/90/71/79/440907179.db2.gz DIYNECQZZBZTBD-UHFFFAOYSA-P 1 3 346.524 1.714 50 0 EDAAHO CN(C)C(=O)CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000069510443 441959077 /nfs/dbraw/zinc/95/90/77/441959077.db2.gz ZLRQBMGUWXDZED-LJQANCHMSA-N 1 3 347.503 1.842 50 0 EDAAHO CN(C)C(=O)CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000069510443 441959080 /nfs/dbraw/zinc/95/90/80/441959080.db2.gz ZLRQBMGUWXDZED-LJQANCHMSA-N 1 3 347.503 1.842 50 0 EDAAHO CN(C)CCOc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccn1 ZINC000097080790 442163137 /nfs/dbraw/zinc/16/31/37/442163137.db2.gz RALCXPZSEAUFMJ-SJORKVTESA-N 1 3 346.475 1.578 50 0 EDAAHO CN(C)CCOc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccn1 ZINC000097080790 442163139 /nfs/dbraw/zinc/16/31/39/442163139.db2.gz RALCXPZSEAUFMJ-SJORKVTESA-N 1 3 346.475 1.578 50 0 EDAAHO COc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c(OCC[NH3+])c1 ZINC000426641619 447484736 /nfs/dbraw/zinc/48/47/36/447484736.db2.gz XUBMWANOUXQZFC-HNNXBMFYSA-N 1 3 347.459 1.733 50 0 EDAAHO CCO[C@H]1C[C@](N)(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1(C)C ZINC000261852656 535649707 /nfs/dbraw/zinc/64/97/07/535649707.db2.gz VMUXFASRMYRGPF-YLAKUSLOSA-N 1 3 345.487 1.720 50 0 EDAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000012305822 711399841 /nfs/dbraw/zinc/39/98/41/711399841.db2.gz VVQZCNUHFCNALB-OAHLLOKOSA-N 1 3 333.480 1.611 50 0 EDAAHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CC1CC[NH+](CCO)CC1 ZINC000071871539 203133021 /nfs/dbraw/zinc/13/30/21/203133021.db2.gz HRFFHMMXXXXMIF-FUHWJXTLSA-N 1 3 339.524 1.802 50 0 EDAAHO O=C(NC1CC[NH2+]CC1)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000072161193 203176133 /nfs/dbraw/zinc/17/61/33/203176133.db2.gz OQNDVZBDTQNIMZ-UHFFFAOYSA-N 1 3 327.472 1.878 50 0 EDAAHO Cc1cc(C)nc(CN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072463676 203229220 /nfs/dbraw/zinc/22/92/20/203229220.db2.gz WDDFMLNIXMYAQU-QGZVFWFLSA-N 1 3 330.476 1.731 50 0 EDAAHO c1cn(-c2cccc(C3=[NH+]CCN3)c2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072425554 203221853 /nfs/dbraw/zinc/22/18/53/203221853.db2.gz CTWLIKWOMGJCOQ-UHFFFAOYSA-N 1 3 347.426 1.579 50 0 EDAAHO C[C@H](C1CCN(c2ncnc3c2CC[NH2+]CC3)CC1)N1CCOCC1 ZINC000072424133 203221984 /nfs/dbraw/zinc/22/19/84/203221984.db2.gz GXCANYVFZQFSIF-OAHLLOKOSA-N 1 3 345.491 1.102 50 0 EDAAHO CC[NH+](CC)Cc1cnc2c(C(=O)N3[C@@H]4CC[C@H]3CNC4)cnn2c1 ZINC000067822005 441683131 /nfs/dbraw/zinc/68/31/31/441683131.db2.gz VDTOPUSEANYYDE-GASCZTMLSA-N 1 3 342.447 1.148 50 0 EDAAHO CN(CC1CC[NH+](C)CC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000078966086 441999977 /nfs/dbraw/zinc/99/99/77/441999977.db2.gz HMEKKDATKLJABG-UHFFFAOYSA-N 1 3 337.508 1.822 50 0 EDAAHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000195549001 443031720 /nfs/dbraw/zinc/03/17/20/443031720.db2.gz YTAFLBJJILSQGS-JSGCOSHPSA-N 1 3 345.534 1.655 50 0 EDAAHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000225653473 443117737 /nfs/dbraw/zinc/11/77/37/443117737.db2.gz SDSISISPVHGUHM-INIZCTEOSA-N 1 3 339.528 1.044 50 0 EDAAHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000225653473 443117739 /nfs/dbraw/zinc/11/77/39/443117739.db2.gz SDSISISPVHGUHM-INIZCTEOSA-N 1 3 339.528 1.044 50 0 EDAAHO COCCC[N@H+](C)CCNC(=O)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000888099427 591029810 /nfs/dbraw/zinc/02/98/10/591029810.db2.gz JUGWHMFJHGBDTJ-KRWDZBQOSA-N 1 3 348.491 1.378 50 0 EDAAHO COCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000888099427 591029815 /nfs/dbraw/zinc/02/98/15/591029815.db2.gz JUGWHMFJHGBDTJ-KRWDZBQOSA-N 1 3 348.491 1.378 50 0 EDAAHO [NH3+][C@H]1C[C@H](c2nnc(CN3CCN(C4CCCC4)CC3)n2C2CC2)C1 ZINC000244873120 243091090 /nfs/dbraw/zinc/09/10/90/243091090.db2.gz WKLDABRLVKRTRT-SHTZXODSSA-N 1 3 344.507 1.878 50 0 EDAAHO C[C@H]1CCCCN1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000072280934 441219131 /nfs/dbraw/zinc/21/91/31/441219131.db2.gz RNRPBWFANNYQSM-INIZCTEOSA-N 1 3 340.512 1.613 50 0 EDAAHO Cc1cccc(N2CCN(CCC(=O)N3CCCC[C@@H]([NH3+])C3)CC2)c1 ZINC000082120837 441335499 /nfs/dbraw/zinc/33/54/99/441335499.db2.gz MHRXMVUHUAHCTL-GOSISDBHSA-N 1 3 344.503 1.847 50 0 EDAAHO [NH3+]CCOc1cccc(CC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000426432087 447443246 /nfs/dbraw/zinc/44/32/46/447443246.db2.gz WQPKFKISYCVRHG-QGZVFWFLSA-N 1 3 331.460 1.653 50 0 EDAAHO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+](C(C)C)C3)CC2)nc(N)n1 ZINC000095513120 441944183 /nfs/dbraw/zinc/94/41/83/441944183.db2.gz GIBQJDNAQMVGMH-HNNXBMFYSA-N 1 3 346.479 1.136 50 0 EDAAHO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+](C(C)C)C3)CC2)nc(N)n1 ZINC000095513120 441944191 /nfs/dbraw/zinc/94/41/91/441944191.db2.gz GIBQJDNAQMVGMH-HNNXBMFYSA-N 1 3 346.479 1.136 50 0 EDAAHO Cc1cc(C)c(CN2CCN(C)CC2)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000216448693 241192629 /nfs/dbraw/zinc/19/26/29/241192629.db2.gz ZUGSXIGTSRPGOR-OYRHEFFESA-N 1 3 342.531 1.702 50 0 EDAAHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000058308406 441177199 /nfs/dbraw/zinc/17/71/99/441177199.db2.gz YSQQMEQWMJNPOG-MRXNPFEDSA-N 1 3 329.448 1.655 50 0 EDAAHO O=C([C@H]1CCCN(C2CC[NH+](CC3CCC3)CC2)C1)N1CCOCC1 ZINC000082097520 441331792 /nfs/dbraw/zinc/33/17/92/441331792.db2.gz SLTBXHPXKHPSJD-SFHVURJKSA-N 1 3 349.519 1.822 50 0 EDAAHO CN(CCO)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095523379 441948439 /nfs/dbraw/zinc/94/84/39/441948439.db2.gz QFIYHEIUJHOZRK-GOSISDBHSA-N 1 3 336.476 1.726 50 0 EDAAHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCNC(=O)OC(C)(C)C ZINC000069743573 442030079 /nfs/dbraw/zinc/03/00/79/442030079.db2.gz 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ZINC000091807059 218068768 /nfs/dbraw/zinc/06/87/68/218068768.db2.gz IOLDKGLMACAVEY-RTBURBONSA-N 1 3 347.503 1.373 50 0 EDAAHO C[C@@H]([NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)N(C)C ZINC000069585076 278341670 /nfs/dbraw/zinc/34/16/70/278341670.db2.gz VRTNPPCRVXOXJT-CRAIPNDOSA-N 1 3 333.476 1.498 50 0 EDAAHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000071876878 441180303 /nfs/dbraw/zinc/18/03/03/441180303.db2.gz VXGVIFHGWRVZIO-IAGOWNOFSA-N 1 3 333.480 1.128 50 0 EDAAHO C[C@H]1CCCN(CCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)C1 ZINC000065406696 441428620 /nfs/dbraw/zinc/42/86/20/441428620.db2.gz GMEGITLBFHULAZ-LBPRGKRZSA-N 1 3 332.473 1.836 50 0 EDAAHO COCC[N@@H+]1CC[C@@H](Cn2ccnc2-c2cc3n(n2)CCCNC3)C1 ZINC000072435033 216229954 /nfs/dbraw/zinc/22/99/54/216229954.db2.gz IUIIVKYXPCSOMN-OAHLLOKOSA-N 1 3 344.463 1.208 50 0 EDAAHO COCC[N@H+]1CC[C@@H](Cn2ccnc2-c2cc3n(n2)CCCNC3)C1 ZINC000072435033 216229956 /nfs/dbraw/zinc/22/99/56/216229956.db2.gz IUIIVKYXPCSOMN-OAHLLOKOSA-N 1 3 344.463 1.208 50 0 EDAAHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2ccncc2)CC1 ZINC000229194085 242150357 /nfs/dbraw/zinc/15/03/57/242150357.db2.gz VVWPUOZZRVYSFL-SJORKVTESA-N 1 3 329.448 1.540 50 0 EDAAHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2ccncc2)CC1 ZINC000229194085 242150361 /nfs/dbraw/zinc/15/03/61/242150361.db2.gz VVWPUOZZRVYSFL-SJORKVTESA-N 1 3 329.448 1.540 50 0 EDAAHO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]CC1CCN(CCO)CC1 ZINC000075131178 441499790 /nfs/dbraw/zinc/49/97/90/441499790.db2.gz XWBXZWJXELLZHT-DOTOQJQBSA-N 1 3 325.497 1.460 50 0 EDAAHO CN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000077287358 441747117 /nfs/dbraw/zinc/74/71/17/441747117.db2.gz CFCHROSZVLTBEF-MSOLQXFVSA-N 1 3 331.460 1.080 50 0 EDAAHO CCn1c(CN(C)CCN2CCC(C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252550910 443042944 /nfs/dbraw/zinc/04/29/44/443042944.db2.gz TULTVFDCLWOWCW-IYBDPMFKSA-N 1 3 334.512 1.666 50 0 EDAAHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc(C)c1O ZINC000020908735 212186950 /nfs/dbraw/zinc/18/69/50/212186950.db2.gz GBCBLSXVEVJRJT-QZTJIDSGSA-N 1 3 333.476 1.192 50 0 EDAAHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)cc(C)c1O ZINC000020908735 212186954 /nfs/dbraw/zinc/18/69/54/212186954.db2.gz GBCBLSXVEVJRJT-QZTJIDSGSA-N 1 3 333.476 1.192 50 0 EDAAHO CC(C)(C)[NH2+]C[C@]1(O)C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000019773635 278370639 /nfs/dbraw/zinc/37/06/39/278370639.db2.gz LBDHKBFIUGVKSQ-UUKMXZOPSA-N 1 3 329.488 1.305 50 0 EDAAHO Cc1nnc2n1C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)CC2 ZINC000097199400 442182442 /nfs/dbraw/zinc/18/24/42/442182442.db2.gz KAQSSFGAXAICCX-MRXNPFEDSA-N 1 3 329.448 1.632 50 0 EDAAHO CCc1nccn1CCC(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067947988 215257389 /nfs/dbraw/zinc/25/73/89/215257389.db2.gz DQKWFQIGKNYPKO-UHFFFAOYSA-N 1 3 347.507 1.464 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCc1nccs1)CC[NH+](C)CC2 ZINC000072428358 216219747 /nfs/dbraw/zinc/21/97/47/216219747.db2.gz JUAPMWLUMJPVKJ-AWEZNQCLSA-N 1 3 336.505 1.956 50 0 EDAAHO Cc1cc(C)nc(CN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072463675 216246560 /nfs/dbraw/zinc/24/65/60/216246560.db2.gz WDDFMLNIXMYAQU-KRWDZBQOSA-N 1 3 330.476 1.731 50 0 EDAAHO Cc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CN(Cc2ccccc2)C3)n[nH]1 ZINC000065430918 441431728 /nfs/dbraw/zinc/43/17/28/441431728.db2.gz HSFYYLCDBKILQO-VQIMIIECSA-N 1 3 339.443 1.056 50 0 EDAAHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237468504 443172967 /nfs/dbraw/zinc/17/29/67/443172967.db2.gz LJEZGWHLMMVPCA-MSOLQXFVSA-N 1 3 344.503 1.927 50 0 EDAAHO CN1CCN(CCOc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000222982912 485801927 /nfs/dbraw/zinc/80/19/27/485801927.db2.gz ZLIOTQDOAZJGBI-UHFFFAOYSA-N 1 3 333.476 1.270 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1nccn1C)CC[NH+](C)CC2 ZINC000072463247 216244764 /nfs/dbraw/zinc/24/47/64/216244764.db2.gz MJVXYXWZRNPRBZ-INIZCTEOSA-N 1 3 347.507 1.575 50 0 EDAAHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245921175 285021788 /nfs/dbraw/zinc/02/17/88/285021788.db2.gz GZIIVDPIPMVEGX-GVDBMIGSSA-N 1 3 338.496 1.223 50 0 EDAAHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245921175 285021793 /nfs/dbraw/zinc/02/17/93/285021793.db2.gz GZIIVDPIPMVEGX-GVDBMIGSSA-N 1 3 338.496 1.223 50 0 EDAAHO CN1CCC([N@@H+]2CCC[C@H](NC(=O)CN3CCCCCC3)C2)CC1 ZINC000012583647 441136648 /nfs/dbraw/zinc/13/66/48/441136648.db2.gz ZLWPGZQQAYONAZ-KRWDZBQOSA-N 1 3 336.524 1.537 50 0 EDAAHO CN1CCC([N@H+]2CCC[C@H](NC(=O)CN3CCCCCC3)C2)CC1 ZINC000012583647 441136649 /nfs/dbraw/zinc/13/66/49/441136649.db2.gz ZLWPGZQQAYONAZ-KRWDZBQOSA-N 1 3 336.524 1.537 50 0 EDAAHO O=C(NCCCc1ccncc1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065381254 441421133 /nfs/dbraw/zinc/42/11/33/441421133.db2.gz PIHZLXLFVAAFTG-YLJYHZDGSA-N 1 3 342.487 1.594 50 0 EDAAHO O=C(NCCCc1ccncc1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065381254 441421134 /nfs/dbraw/zinc/42/11/34/441421134.db2.gz PIHZLXLFVAAFTG-YLJYHZDGSA-N 1 3 342.487 1.594 50 0 EDAAHO C[C@@H](C(=O)NC1CCCCCC1)N(C)CC1CC[NH+](CCO)CC1 ZINC000069923586 442077217 /nfs/dbraw/zinc/07/72/17/442077217.db2.gz OXWSCORAQNTACS-INIZCTEOSA-N 1 3 339.524 1.850 50 0 EDAAHO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CCC2CCN(c3ccncc3)CC2)C1 ZINC000189319391 442920773 /nfs/dbraw/zinc/92/07/73/442920773.db2.gz MLNFBCDJOACMLM-ZWKOTPCHSA-N 1 3 346.475 1.523 50 0 EDAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)N(C)Cc3ncc[nH]3)C2)CC1 ZINC000071776377 491166785 /nfs/dbraw/zinc/16/67/85/491166785.db2.gz HNDOGPAWTCDMPE-INIZCTEOSA-N 1 3 347.507 1.953 50 0 EDAAHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](O)Cc3ccccc3)CC2)CC1 ZINC000331399552 536339818 /nfs/dbraw/zinc/33/98/18/536339818.db2.gz GMFVJQQPXOXXEP-IBGZPJMESA-N 1 3 345.487 1.265 50 0 EDAAHO CN1C(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCC4)s3)C[C@H]2C1=O ZINC000097797674 219058080 /nfs/dbraw/zinc/05/80/80/219058080.db2.gz NQUSATXAIJRXOO-GASCZTMLSA-N 1 3 333.457 1.391 50 0 EDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cccc4nonc43)CC[C@H]21 ZINC000072423543 216213063 /nfs/dbraw/zinc/21/30/63/216213063.db2.gz BMDZTLIKEQZBJL-XJKSGUPXSA-N 1 3 343.431 1.255 50 0 EDAAHO CN(C)C[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(N3CCOCC3)c2)C1 ZINC000091474571 218012087 /nfs/dbraw/zinc/01/20/87/218012087.db2.gz KTHKTFXLHRQSFF-MOPGFXCFSA-N 1 3 347.503 1.515 50 0 EDAAHO CN(C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(N3CCOCC3)c2)C1 ZINC000091474571 218012090 /nfs/dbraw/zinc/01/20/90/218012090.db2.gz KTHKTFXLHRQSFF-MOPGFXCFSA-N 1 3 347.503 1.515 50 0 EDAAHO C[NH+](C)CC(C)(C)CNC[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000006790330 441014863 /nfs/dbraw/zinc/01/48/63/441014863.db2.gz TZFHQOJOVUJDOY-HNNXBMFYSA-N 1 3 338.448 1.470 50 0 EDAAHO Cn1ccnc1CNCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069490700 441951228 /nfs/dbraw/zinc/95/12/28/441951228.db2.gz DHTLOMYSHSXPME-SFHVURJKSA-N 1 3 328.460 1.955 50 0 EDAAHO CCCN1CCCN(c2nc(COCC)nc3c2CC[NH2+]CC3)CC1 ZINC000072468544 216247761 /nfs/dbraw/zinc/24/77/61/216247761.db2.gz YANMSSXWDWONDO-UHFFFAOYSA-N 1 3 347.507 1.623 50 0 EDAAHO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000069607801 303610511 /nfs/dbraw/zinc/61/05/11/303610511.db2.gz GSGFJBIHDLCEPJ-LJQANCHMSA-N 1 3 348.535 1.680 50 0 EDAAHO C[C@H](NC(=O)C[NH2+]CC1CCN(CCO)CC1)c1cccs1 ZINC000075602787 441538690 /nfs/dbraw/zinc/53/86/90/441538690.db2.gz MSKOPGIYFAEQBM-ZDUSSCGKSA-N 1 3 325.478 1.219 50 0 EDAAHO C[C@H](NC(=O)CNCC1CC[NH+](CCO)CC1)c1cccs1 ZINC000075602787 441538694 /nfs/dbraw/zinc/53/86/94/441538694.db2.gz MSKOPGIYFAEQBM-ZDUSSCGKSA-N 1 3 325.478 1.219 50 0 EDAAHO O=C(C[NH2+]CC1CCN(CCO)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000089818631 441582070 /nfs/dbraw/zinc/58/20/70/441582070.db2.gz XQTMIRISSBTASP-ROUUACIJSA-N 1 3 337.508 1.462 50 0 EDAAHO Cc1ccc2nc(CC[NH2+][C@@H](C)CN3CCN(C)CC3)[nH]c2c1C ZINC000067910109 441696188 /nfs/dbraw/zinc/69/61/88/441696188.db2.gz AFZMSOFNWZDQHJ-HNNXBMFYSA-N 1 3 329.492 1.948 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCCn1cc(C)cn1)CC[NH+](C)CC2 ZINC000072468506 216247335 /nfs/dbraw/zinc/24/73/35/216247335.db2.gz TWPOKRNZEXBRJP-KRWDZBQOSA-N 1 3 347.507 1.504 50 0 EDAAHO C[C@H]([NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)NC1CC1 ZINC000069597789 441985228 /nfs/dbraw/zinc/98/52/28/441985228.db2.gz MNVKOJLLLQDGDW-KXBFYZLASA-N 1 3 345.487 1.689 50 0 EDAAHO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188959752 442849748 /nfs/dbraw/zinc/84/97/48/442849748.db2.gz LFTUKZPWIHAQHE-UHFFFAOYSA-N 1 3 341.459 1.568 50 0 EDAAHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)c1 ZINC000218989534 241356966 /nfs/dbraw/zinc/35/69/66/241356966.db2.gz PKJJVIDVQFQOPL-QZTJIDSGSA-N 1 3 349.475 1.214 50 0 EDAAHO CN(C)Cc1cccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c1 ZINC000091846395 218076326 /nfs/dbraw/zinc/07/63/26/218076326.db2.gz DSHHLMBFNARXAQ-WOJBJXKFSA-N 1 3 331.504 1.884 50 0 EDAAHO COc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1OCCC[NH3+] ZINC000299756832 258074890 /nfs/dbraw/zinc/07/48/90/258074890.db2.gz JHZCATRKRVTBBS-AWEZNQCLSA-N 1 3 333.432 1.343 50 0 EDAAHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000102858600 441172725 /nfs/dbraw/zinc/17/27/25/441172725.db2.gz YBGBSPQIOUYZOM-ZWJWXYIHSA-N 1 3 325.456 1.575 50 0 EDAAHO C[C@@H]1CCCN(CCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)C1 ZINC000065406695 441428765 /nfs/dbraw/zinc/42/87/65/441428765.db2.gz GMEGITLBFHULAZ-GFCCVEGCSA-N 1 3 332.473 1.836 50 0 EDAAHO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000069607800 441988674 /nfs/dbraw/zinc/98/86/74/441988674.db2.gz GSGFJBIHDLCEPJ-IBGZPJMESA-N 1 3 348.535 1.680 50 0 EDAAHO CN(CCNC(=O)N1CC[C@H](C[NH+](C)C)C1)CCc1ccccc1 ZINC000426478982 447452630 /nfs/dbraw/zinc/45/26/30/447452630.db2.gz QLGPRLPMJHBTQO-GOSISDBHSA-N 1 3 332.492 1.754 50 0 EDAAHO CN1CCC(O)(C(=O)NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000670435473 486510769 /nfs/dbraw/zinc/51/07/69/486510769.db2.gz HWEDVCCPQFVYPR-KRWDZBQOSA-N 1 3 337.508 1.747 50 0 EDAAHO CN1CCC(O)(C(=O)NCC[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000670435473 486510771 /nfs/dbraw/zinc/51/07/71/486510771.db2.gz HWEDVCCPQFVYPR-KRWDZBQOSA-N 1 3 337.508 1.747 50 0 EDAAHO CCN(CC)[C@H](CNc1nc(N)nc2c1CC[NH2+]CC2)c1ccco1 ZINC000072421654 216210245 /nfs/dbraw/zinc/21/02/45/216210245.db2.gz CTWNHLFATABZQR-OAHLLOKOSA-N 1 3 344.463 1.835 50 0 EDAAHO Cc1ncsc1CCCNC(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072439834 216234067 /nfs/dbraw/zinc/23/40/67/216234067.db2.gz LDIXTFNUTQUKBT-CQSZACIVSA-N 1 3 336.505 1.574 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072469676 216248550 /nfs/dbraw/zinc/24/85/50/216248550.db2.gz RBMRQPKGWLPCPZ-HNNXBMFYSA-N 1 3 333.480 1.564 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCCn1cccn1)CC[NH+](C)CC2 ZINC000072480814 216259555 /nfs/dbraw/zinc/25/95/55/216259555.db2.gz NFVXVNCJHFOUFH-QGZVFWFLSA-N 1 3 347.507 1.586 50 0 EDAAHO CC1CC[NH+](C[C@H](O)CN2CCN(C[C@@H](O)C(C)(C)C)CC2)CC1 ZINC000069776628 442038289 /nfs/dbraw/zinc/03/82/89/442038289.db2.gz UWQLVHOFPRUKKO-ZWKOTPCHSA-N 1 3 341.540 1.104 50 0 EDAAHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000236994364 443155003 /nfs/dbraw/zinc/15/50/03/443155003.db2.gz GKIHWDMBIJINHB-DOTOQJQBSA-N 1 3 330.476 1.780 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1cc[nH]n1)CC[NH+](C)CC2 ZINC000072430141 216221973 /nfs/dbraw/zinc/22/19/73/216221973.db2.gz XSJOWNLUOYOPFD-INIZCTEOSA-N 1 3 333.480 1.564 50 0 EDAAHO Nc1nc(NCCN2CCc3ccccc3C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244882561 243094825 /nfs/dbraw/zinc/09/48/25/243094825.db2.gz XUBZPWJBWUXMSF-IYBDPMFKSA-N 1 3 338.459 1.734 50 0 EDAAHO C[NH+](C)CCNC(=O)CCc1cc2n(n1)CCCN(C1CCCC1)C2 ZINC000091858716 218078605 /nfs/dbraw/zinc/07/86/05/218078605.db2.gz WHMHZWAWFDKPDG-UHFFFAOYSA-N 1 3 347.507 1.642 50 0 EDAAHO OCC[NH+]1CCC(CNCc2nccn2Cc2ccccc2)CC1 ZINC000069980660 441100822 /nfs/dbraw/zinc/10/08/22/441100822.db2.gz DLOGMXXUXXABNO-UHFFFAOYSA-N 1 3 328.460 1.725 50 0 EDAAHO CN1CCC(c2cc(N(CC[NH+](C)C)C[C@@H]3CCCO3)ncn2)CC1 ZINC000063848368 441357413 /nfs/dbraw/zinc/35/74/13/441357413.db2.gz USTNXCGEMFDYJB-KRWDZBQOSA-N 1 3 347.507 1.833 50 0 EDAAHO CC[C@H]1CCCCN1C(=O)CNCC1CC[NH+](C[C@H](C)O)CC1 ZINC000069898300 442069980 /nfs/dbraw/zinc/06/99/80/442069980.db2.gz VPWRXKBHJGFVLW-RDJZCZTQSA-N 1 3 325.497 1.460 50 0 EDAAHO CN(C)Cc1ccccc1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000426479161 447453726 /nfs/dbraw/zinc/45/37/26/447453726.db2.gz XDGOQUAULXTQNM-GOSISDBHSA-N 1 3 348.491 1.394 50 0 EDAAHO NC1(C(=O)NC[C@H]2CC[N@@H+](C3Cc4ccccc4C3)C2)CCCC1 ZINC000067847574 215230297 /nfs/dbraw/zinc/23/02/97/215230297.db2.gz KCDZMOCAQMOMLO-OAHLLOKOSA-N 1 3 327.472 1.863 50 0 EDAAHO NC1(C(=O)NC[C@H]2CC[N@H+](C3Cc4ccccc4C3)C2)CCCC1 ZINC000067847574 215230299 /nfs/dbraw/zinc/23/02/99/215230299.db2.gz KCDZMOCAQMOMLO-OAHLLOKOSA-N 1 3 327.472 1.863 50 0 EDAAHO COc1ccc(OCC2CCN(C[C@@]3(O)CCC[NH2+]C3)CC2)cc1 ZINC000072412270 216205107 /nfs/dbraw/zinc/20/51/07/216205107.db2.gz FCVOVNGZNCESGB-LJQANCHMSA-N 1 3 334.460 1.901 50 0 EDAAHO COc1ccc(OCC2CC[NH+](C[C@@]3(O)CCCNC3)CC2)cc1 ZINC000072412270 216205109 /nfs/dbraw/zinc/20/51/09/216205109.db2.gz FCVOVNGZNCESGB-LJQANCHMSA-N 1 3 334.460 1.901 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)N1CCc3n[nH]cc3C1)CC[NH+](C)CC2 ZINC000072479847 216260508 /nfs/dbraw/zinc/26/05/08/216260508.db2.gz MEVMOOPDHVYUJO-QGZVFWFLSA-N 1 3 345.491 1.491 50 0 EDAAHO Cc1nc[nH]c1CN1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000095373229 218305535 /nfs/dbraw/zinc/30/55/35/218305535.db2.gz GARXECAQSUSXFG-INIZCTEOSA-N 1 3 345.491 1.627 50 0 EDAAHO Cc1nc[nH]c1CN1CCC2(CCC(=O)N([C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000095373229 218305537 /nfs/dbraw/zinc/30/55/37/218305537.db2.gz GARXECAQSUSXFG-INIZCTEOSA-N 1 3 345.491 1.627 50 0 EDAAHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1(C)C ZINC000261852660 139231481 /nfs/dbraw/zinc/23/14/81/139231481.db2.gz VMUXFASRMYRGPF-YZLZLFLDSA-N 1 3 345.487 1.720 50 0 EDAAHO COc1ccc(OC[C@H](O)C[NH+](C)C)c(CNCCOC(C)C)c1 ZINC000014952925 295185890 /nfs/dbraw/zinc/18/58/90/295185890.db2.gz XQGNHZWDLGNRPF-MRXNPFEDSA-N 1 3 340.464 1.511 50 0 EDAAHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000071920051 441196659 /nfs/dbraw/zinc/19/66/59/441196659.db2.gz KQBUMHGFDSFZCO-UHFFFAOYSA-N 1 3 332.492 1.998 50 0 EDAAHO O[C@@]1(C[NH+]2CCC(Nc3ncccn3)CC2)CCCN2CCCC[C@@H]21 ZINC000063857164 441358537 /nfs/dbraw/zinc/35/85/37/441358537.db2.gz DVACLYGFTNCZSV-IEBWSBKVSA-N 1 3 345.491 1.732 50 0 EDAAHO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCNCC2)nc1 ZINC000067739425 441675236 /nfs/dbraw/zinc/67/52/36/441675236.db2.gz XQOLEWDZCXHUPQ-MRXNPFEDSA-N 1 3 331.464 1.095 50 0 EDAAHO C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCNCC2)nc1 ZINC000067739425 441675240 /nfs/dbraw/zinc/67/52/40/441675240.db2.gz XQOLEWDZCXHUPQ-MRXNPFEDSA-N 1 3 331.464 1.095 50 0 EDAAHO CC(C)c1nn(C)c(Cl)c1CNCC1CC[NH+](CCO)CC1 ZINC000069414670 441928250 /nfs/dbraw/zinc/92/82/50/441928250.db2.gz RSPWIVCJHZYIGV-UHFFFAOYSA-N 1 3 328.888 1.991 50 0 EDAAHO OCC[NH+]1CCC(CNCc2c(Cl)nc3sccn23)CC1 ZINC000069415290 441929175 /nfs/dbraw/zinc/92/91/75/441929175.db2.gz KFOIWROOFDCSMK-UHFFFAOYSA-N 1 3 328.869 1.843 50 0 EDAAHO CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCC[NH+]1CCCCCC1 ZINC000584887028 448664290 /nfs/dbraw/zinc/66/42/90/448664290.db2.gz SOPNYXYDBVZFEH-IRXDYDNUSA-N 1 3 325.497 1.866 50 0 EDAAHO CC(C)c1nc(CCN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)no1 ZINC000072424690 216215350 /nfs/dbraw/zinc/21/53/50/216215350.db2.gz YRWJZROUGFHHGC-CQSZACIVSA-N 1 3 349.479 1.268 50 0 EDAAHO CNc1ncc(CN(C)CC2(c3ccc(C)cn3)CC[NH2+]CC2)cn1 ZINC000065535072 441454116 /nfs/dbraw/zinc/45/41/16/441454116.db2.gz MHNDKFRWOSCZBU-UHFFFAOYSA-N 1 3 340.475 1.975 50 0 EDAAHO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C ZINC000067784048 215210594 /nfs/dbraw/zinc/21/05/94/215210594.db2.gz GCOIZHIDCJSICW-AWEZNQCLSA-N 1 3 333.480 1.426 50 0 EDAAHO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C ZINC000067784048 215210598 /nfs/dbraw/zinc/21/05/98/215210598.db2.gz GCOIZHIDCJSICW-AWEZNQCLSA-N 1 3 333.480 1.426 50 0 EDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3ccc4nonc4c3)CC[C@H]21 ZINC000072420169 216209368 /nfs/dbraw/zinc/20/93/68/216209368.db2.gz WESFRNUYNYIPLK-WMLDXEAASA-N 1 3 343.431 1.255 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1cnccn1)CC[NH+](C)CC2 ZINC000072427828 216218873 /nfs/dbraw/zinc/21/88/73/216218873.db2.gz FESVBQYTOHKRLD-QGZVFWFLSA-N 1 3 345.491 1.332 50 0 EDAAHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccncc2)CC1 ZINC000047106284 441156258 /nfs/dbraw/zinc/15/62/58/441156258.db2.gz VVWPUOZZRVYSFL-DLBZAZTESA-N 1 3 329.448 1.540 50 0 EDAAHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2ccncc2)CC1 ZINC000047106284 441156260 /nfs/dbraw/zinc/15/62/60/441156260.db2.gz VVWPUOZZRVYSFL-DLBZAZTESA-N 1 3 329.448 1.540 50 0 EDAAHO CCc1nc2n(n1)C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000069652164 442000421 /nfs/dbraw/zinc/00/04/21/442000421.db2.gz RIVBJARJPGQTPK-MRXNPFEDSA-N 1 3 343.475 1.886 50 0 EDAAHO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)CC2 ZINC000069652164 442000424 /nfs/dbraw/zinc/00/04/24/442000424.db2.gz RIVBJARJPGQTPK-MRXNPFEDSA-N 1 3 343.475 1.886 50 0 EDAAHO CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000182513212 442778707 /nfs/dbraw/zinc/77/87/07/442778707.db2.gz MFRBRZRTKUCDMR-RTBURBONSA-N 1 3 345.487 1.642 50 0 EDAAHO CCN1CCN(C(C)(C)CNc2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000223430753 443089857 /nfs/dbraw/zinc/08/98/57/443089857.db2.gz ILCJLHSQJBZAMC-UHFFFAOYSA-N 1 3 347.511 1.092 50 0 EDAAHO CN1CCN(C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000584891169 448667175 /nfs/dbraw/zinc/66/71/75/448667175.db2.gz WQKQUPKIEBQYKU-SFHVURJKSA-N 1 3 336.524 1.348 50 0 EDAAHO CN1CCC(O)(C(=O)NCC[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000670435474 486510575 /nfs/dbraw/zinc/51/05/75/486510575.db2.gz HWEDVCCPQFVYPR-QGZVFWFLSA-N 1 3 337.508 1.747 50 0 EDAAHO CN1CCC(O)(C(=O)NCC[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000670435474 486510577 /nfs/dbraw/zinc/51/05/77/486510577.db2.gz HWEDVCCPQFVYPR-QGZVFWFLSA-N 1 3 337.508 1.747 50 0 EDAAHO CCc1ccc(CN2CC[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)nc1 ZINC000067965652 215262098 /nfs/dbraw/zinc/26/20/98/215262098.db2.gz JSCWHYDBCHOTIQ-INIZCTEOSA-N 1 3 330.476 1.854 50 0 EDAAHO c1csc(CN2CCCN(c3ncnc4c3CC[NH2+]CC4)CC2)c1 ZINC000072458646 216243870 /nfs/dbraw/zinc/24/38/70/216243870.db2.gz NQJMMWZMAMDWSA-UHFFFAOYSA-N 1 3 343.500 1.939 50 0 EDAAHO NC(=O)CC[N@H+](Cc1ccccc1)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063835052 441357791 /nfs/dbraw/zinc/35/77/91/441357791.db2.gz RJCMOOKPPZGQNW-UYAOXDASSA-N 1 3 345.487 1.743 50 0 EDAAHO NC(=O)CC[N@@H+](Cc1ccccc1)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063835052 441357793 /nfs/dbraw/zinc/35/77/93/441357793.db2.gz RJCMOOKPPZGQNW-UYAOXDASSA-N 1 3 345.487 1.743 50 0 EDAAHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000189238064 442903192 /nfs/dbraw/zinc/90/31/92/442903192.db2.gz QMWCQVWPRKHULO-RBUKOAKNSA-N 1 3 345.487 1.530 50 0 EDAAHO CN1CCN(C2(CNc3cc(C4CC([NH3+])C4)ncn3)CCCC2)CC1 ZINC000223592337 443092296 /nfs/dbraw/zinc/09/22/96/443092296.db2.gz UBZVIFHBJIPKOP-UHFFFAOYSA-N 1 3 344.507 1.653 50 0 EDAAHO CN1CCN(C[C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000584891168 448666852 /nfs/dbraw/zinc/66/68/52/448666852.db2.gz WQKQUPKIEBQYKU-GOSISDBHSA-N 1 3 336.524 1.348 50 0 EDAAHO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3(N)CCC3)C2)c(C)c1 ZINC000067981961 215267176 /nfs/dbraw/zinc/26/71/76/215267176.db2.gz WGRWWLOMWPPOFV-HNNXBMFYSA-N 1 3 331.460 1.823 50 0 EDAAHO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3(N)CCC3)C2)c(C)c1 ZINC000067981961 215267179 /nfs/dbraw/zinc/26/71/79/215267179.db2.gz WGRWWLOMWPPOFV-HNNXBMFYSA-N 1 3 331.460 1.823 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cc(C)n[nH]1)CC[NH+](C)CC2 ZINC000072458244 216244299 /nfs/dbraw/zinc/24/42/99/216244299.db2.gz FIAMOILZMYWNLT-MRXNPFEDSA-N 1 3 333.480 1.531 50 0 EDAAHO Cc1cc(N2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)nc(N)n1 ZINC000095370219 218303156 /nfs/dbraw/zinc/30/31/56/218303156.db2.gz SDPAKNBZQNJGBV-INIZCTEOSA-N 1 3 339.443 1.929 50 0 EDAAHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@H](O)C(F)(F)F ZINC000408518939 280325111 /nfs/dbraw/zinc/32/51/11/280325111.db2.gz LJKNBHWWJIJMLZ-GJZGRUSLSA-N 1 3 339.446 1.940 50 0 EDAAHO O=C(C[C@@H]1CNCCO1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077542144 441802714 /nfs/dbraw/zinc/80/27/14/441802714.db2.gz LETNIEISAQXPHC-LJQANCHMSA-N 1 3 343.471 1.067 50 0 EDAAHO O=C(C[C@@H]1CNCCO1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000077542144 441802720 /nfs/dbraw/zinc/80/27/20/441802720.db2.gz LETNIEISAQXPHC-LJQANCHMSA-N 1 3 343.471 1.067 50 0 EDAAHO Cc1cc(N2CCC([N@@H+]3C[C@@H]4CCCN[C@@H]4C3)CC2)nc(N(C)C)n1 ZINC000095527313 441950543 /nfs/dbraw/zinc/95/05/43/441950543.db2.gz KWFAOLVHLXYNBD-DOTOQJQBSA-N 1 3 344.507 1.504 50 0 EDAAHO Cc1cc(N2CCC([N@H+]3C[C@@H]4CCCN[C@@H]4C3)CC2)nc(N(C)C)n1 ZINC000095527313 441950546 /nfs/dbraw/zinc/95/05/46/441950546.db2.gz KWFAOLVHLXYNBD-DOTOQJQBSA-N 1 3 344.507 1.504 50 0 EDAAHO Cc1cc(N2CCC(N3C[C@@H]4CCC[NH2+][C@@H]4C3)CC2)nc(N(C)C)n1 ZINC000095527313 441950549 /nfs/dbraw/zinc/95/05/49/441950549.db2.gz KWFAOLVHLXYNBD-DOTOQJQBSA-N 1 3 344.507 1.504 50 0 EDAAHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000237385012 443170965 /nfs/dbraw/zinc/17/09/65/443170965.db2.gz QXDGXRZLHRBARY-QZTJIDSGSA-N 1 3 344.503 1.845 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1cccnc1)CC[NH+](C)CC2 ZINC000072476283 216254122 /nfs/dbraw/zinc/25/41/22/216254122.db2.gz MJZLOIJOKRFWLJ-GOSISDBHSA-N 1 3 344.503 1.937 50 0 EDAAHO Cc1nccn1Cc1nnc(C2CCN(C3CC[NH2+]CC3)CC2)n1C ZINC000092037875 218107437 /nfs/dbraw/zinc/10/74/37/218107437.db2.gz HWOYDWQSEILUEJ-UHFFFAOYSA-N 1 3 343.479 1.300 50 0 EDAAHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000187927602 533485693 /nfs/dbraw/zinc/48/56/93/533485693.db2.gz MNCAHYWAZQIPAJ-IPMKNSEASA-N 1 3 345.487 1.953 50 0 EDAAHO C[N@H+](CCNC(=O)N1CC[C@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000101386082 441155565 /nfs/dbraw/zinc/15/55/65/441155565.db2.gz NLLONOREDMOJFD-SFHVURJKSA-N 1 3 328.460 1.774 50 0 EDAAHO C[N@@H+](CCNC(=O)N1CC[C@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000101386082 441155567 /nfs/dbraw/zinc/15/55/67/441155567.db2.gz NLLONOREDMOJFD-SFHVURJKSA-N 1 3 328.460 1.774 50 0 EDAAHO O=C([C@@H]1CCC[N@@H+](C2CCN(C3CCCC3)CC2)C1)N1CCOCC1 ZINC000082127713 441335600 /nfs/dbraw/zinc/33/56/00/441335600.db2.gz BASDYCHIQBLOHY-QGZVFWFLSA-N 1 3 349.519 1.964 50 0 EDAAHO O=C([C@@H]1CCC[N@H+](C2CCN(C3CCCC3)CC2)C1)N1CCOCC1 ZINC000082127713 441335603 /nfs/dbraw/zinc/33/56/03/441335603.db2.gz BASDYCHIQBLOHY-QGZVFWFLSA-N 1 3 349.519 1.964 50 0 EDAAHO CN(C)CCOc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccn1 ZINC000108465411 441455544 /nfs/dbraw/zinc/45/55/44/441455544.db2.gz RALCXPZSEAUFMJ-DLBZAZTESA-N 1 3 346.475 1.578 50 0 EDAAHO CN(C)CCOc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccn1 ZINC000108465411 441455549 /nfs/dbraw/zinc/45/55/49/441455549.db2.gz RALCXPZSEAUFMJ-DLBZAZTESA-N 1 3 346.475 1.578 50 0 EDAAHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000225653443 443117815 /nfs/dbraw/zinc/11/78/15/443117815.db2.gz SDSISISPVHGUHM-MRXNPFEDSA-N 1 3 339.528 1.044 50 0 EDAAHO CCC[N@H+]1CC[C@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000225653443 443117819 /nfs/dbraw/zinc/11/78/19/443117819.db2.gz SDSISISPVHGUHM-MRXNPFEDSA-N 1 3 339.528 1.044 50 0 EDAAHO Cc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc1 ZINC000039454933 213235470 /nfs/dbraw/zinc/23/54/70/213235470.db2.gz UHTPUKZQZTTWQS-HXUWFJFHSA-N 1 3 331.504 1.958 50 0 EDAAHO Cc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc1 ZINC000039454933 213235473 /nfs/dbraw/zinc/23/54/73/213235473.db2.gz UHTPUKZQZTTWQS-HXUWFJFHSA-N 1 3 331.504 1.958 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCc1cc(C)no1)CC[NH+](C)CC2 ZINC000072447894 216237838 /nfs/dbraw/zinc/23/78/38/216237838.db2.gz MQFLBUUQTBCYBX-INIZCTEOSA-N 1 3 334.464 1.796 50 0 EDAAHO C[C@H]([NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)N(C)C ZINC000069585063 274511823 /nfs/dbraw/zinc/51/18/23/274511823.db2.gz VRTNPPCRVXOXJT-YJBOKZPZSA-N 1 3 333.476 1.498 50 0 EDAAHO CC(=O)NCCNCc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012758368 275781709 /nfs/dbraw/zinc/78/17/09/275781709.db2.gz MQPTZKBAADOSJN-SFHVURJKSA-N 1 3 349.475 1.138 50 0 EDAAHO CC(C)(CN1CCCC1)C[NH+]1CCC(n2cc(CCO)nn2)CC1 ZINC000065493181 441445189 /nfs/dbraw/zinc/44/51/89/441445189.db2.gz XPOQBZRXOQPLFC-UHFFFAOYSA-N 1 3 335.496 1.572 50 0 EDAAHO CC[NH+]1CCC(CNc2cc(C3CC(O)C3)nc(C)n2)(N(C)C)CC1 ZINC000223036606 443084279 /nfs/dbraw/zinc/08/42/79/443084279.db2.gz JNYDQJKOKNALSF-UHFFFAOYSA-N 1 3 347.507 1.851 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCCCn1ccnc1)CC[NH+](C)CC2 ZINC000072423821 216213950 /nfs/dbraw/zinc/21/39/50/216213950.db2.gz LGJPWTXYTMMCAN-KRWDZBQOSA-N 1 3 347.507 1.586 50 0 EDAAHO C[NH+](C)Cc1ccc([C@H]2CCCCN2CC(=O)N2CCNCC2)cc1 ZINC000072143310 289224754 /nfs/dbraw/zinc/22/47/54/289224754.db2.gz LAZRPNCGNMNRQR-LJQANCHMSA-N 1 3 344.503 1.707 50 0 EDAAHO c1nc(NC[C@@H]2CCCO2)ncc1CN1CCC2(CC1)C[NH2+]CCO2 ZINC000426635583 447484913 /nfs/dbraw/zinc/48/49/13/447484913.db2.gz VVVVEANCYCBMME-INIZCTEOSA-N 1 3 347.463 1.022 50 0 EDAAHO CN1CCN(C2(CNC(=O)[C@H]3CC34CC[NH2+]CC4)CCCC2)CC1 ZINC000534644221 448460732 /nfs/dbraw/zinc/46/07/32/448460732.db2.gz QGJFJPSIPRZAIH-MRXNPFEDSA-N 1 3 334.508 1.053 50 0 EDAAHO CN(C)Cc1csc(CN2CCC[C@](CO)(C[NH+](C)C)C2)c1 ZINC000215783150 536061242 /nfs/dbraw/zinc/06/12/42/536061242.db2.gz ARQCUGLYHMSRRZ-KRWDZBQOSA-N 1 3 325.522 1.946 50 0 EDAAHO C[NH+]1CCC(O)(C(=O)NCCN2CCC(c3ccccc3)CC2)CC1 ZINC000097698655 219049499 /nfs/dbraw/zinc/04/94/99/219049499.db2.gz ZIYYKWWOQGOBSK-UHFFFAOYSA-N 1 3 345.487 1.439 50 0 EDAAHO Cc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c(CN2CCN(C)CC2)c1 ZINC000215293039 241117886 /nfs/dbraw/zinc/11/78/86/241117886.db2.gz DHNPMRJGXVRDME-OYRHEFFESA-N 1 3 342.531 1.702 50 0 EDAAHO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(CC3CCCC3)CC2)n1 ZINC000220416200 241441657 /nfs/dbraw/zinc/44/16/57/241441657.db2.gz BRWGQZHRPXQYKH-UHFFFAOYSA-N 1 3 330.480 1.576 50 0 EDAAHO Cc1cc(-n2cccn2)ccc1CN1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000092107788 218121284 /nfs/dbraw/zinc/12/12/84/218121284.db2.gz RRGZTWFXLIBDGY-QZTJIDSGSA-N 1 3 328.460 1.783 50 0 EDAAHO COc1ccc([C@H](CN2CCN(C)CC2)NC2CC[NH+](C)CC2)cc1 ZINC000095421499 218363317 /nfs/dbraw/zinc/36/33/17/218363317.db2.gz NSCIKMRAESRMMW-FQEVSTJZSA-N 1 3 346.519 1.668 50 0 EDAAHO COc1ccc([C@H](CN2CCN(C)CC2)[NH2+]C2CCN(C)CC2)cc1 ZINC000095421499 218363318 /nfs/dbraw/zinc/36/33/18/218363318.db2.gz NSCIKMRAESRMMW-FQEVSTJZSA-N 1 3 346.519 1.668 50 0 EDAAHO C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000252511304 443038092 /nfs/dbraw/zinc/03/80/92/443038092.db2.gz ZXLUXTARBJKQGA-OAHLLOKOSA-N 1 3 341.544 1.288 50 0 EDAAHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237517677 443175353 /nfs/dbraw/zinc/17/53/53/443175353.db2.gz KMSXDSNQHMHWJI-NJAFHUGGSA-N 1 3 346.475 1.177 50 0 EDAAHO CN(Cc1cccnc1Cl)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072417900 216206880 /nfs/dbraw/zinc/20/68/80/216206880.db2.gz ULINXGIJDUYWGF-AWEZNQCLSA-N 1 3 336.867 1.767 50 0 EDAAHO COc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCCN1CCCC1 ZINC000216213493 241174875 /nfs/dbraw/zinc/17/48/75/241174875.db2.gz ZUFFVOXLNSXIDC-HDICACEKSA-N 1 3 345.487 1.821 50 0 EDAAHO CCCn1ncc(C[N@@H+]2CCC[C@H](Cn3cc(CN)nn3)C2)c1C ZINC000082039530 441329878 /nfs/dbraw/zinc/32/98/78/441329878.db2.gz AHPYOZBBDJFTRO-HNNXBMFYSA-N 1 3 331.468 1.564 50 0 EDAAHO CCCn1ncc(C[N@H+]2CCC[C@H](Cn3cc(CN)nn3)C2)c1C ZINC000082039530 441329883 /nfs/dbraw/zinc/32/98/83/441329883.db2.gz AHPYOZBBDJFTRO-HNNXBMFYSA-N 1 3 331.468 1.564 50 0 EDAAHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000133604653 442426363 /nfs/dbraw/zinc/42/63/63/442426363.db2.gz YYANOOLEGOZSCY-QGZVFWFLSA-N 1 3 330.476 1.653 50 0 EDAAHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000222203713 443075920 /nfs/dbraw/zinc/07/59/20/443075920.db2.gz GZIIVDPIPMVEGX-ZACQAIPSSA-N 1 3 338.496 1.223 50 0 EDAAHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000222203713 443075922 /nfs/dbraw/zinc/07/59/22/443075922.db2.gz GZIIVDPIPMVEGX-ZACQAIPSSA-N 1 3 338.496 1.223 50 0 EDAAHO Nc1nc(NCc2ccccc2)nc(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000067605956 215168941 /nfs/dbraw/zinc/16/89/41/215168941.db2.gz KBGONLLWNVRUQW-GOSISDBHSA-N 1 3 339.447 1.646 50 0 EDAAHO CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3CC[C@@H]([NH3+])C3)cnn2c1 ZINC000067880512 215238833 /nfs/dbraw/zinc/23/88/33/215238833.db2.gz CNXCSOFMLPKRQC-ZIAGYGMSSA-N 1 3 330.436 1.181 50 0 EDAAHO CN(C)CCN(C)C[C@@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@@H]1CO ZINC000091551303 218021127 /nfs/dbraw/zinc/02/11/27/218021127.db2.gz OFHYENMUGJYDSP-RTBURBONSA-N 1 3 331.504 1.188 50 0 EDAAHO CN(C)CCN(C)C[C@@H]1C[N@H+](C2Cc3ccccc3C2)C[C@@H]1CO ZINC000091551303 218021130 /nfs/dbraw/zinc/02/11/30/218021130.db2.gz OFHYENMUGJYDSP-RTBURBONSA-N 1 3 331.504 1.188 50 0 EDAAHO Cc1nc[nH]c1CN1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000095373228 218305186 /nfs/dbraw/zinc/30/51/86/218305186.db2.gz GARXECAQSUSXFG-MRXNPFEDSA-N 1 3 345.491 1.627 50 0 EDAAHO Cc1nc[nH]c1CN1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000095373228 218305188 /nfs/dbraw/zinc/30/51/88/218305188.db2.gz GARXECAQSUSXFG-MRXNPFEDSA-N 1 3 345.491 1.627 50 0 EDAAHO O=C(C[NH2+]CC1CCN(CCO)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000089818629 441582254 /nfs/dbraw/zinc/58/22/54/441582254.db2.gz XQTMIRISSBTASP-ZWKOTPCHSA-N 1 3 337.508 1.462 50 0 EDAAHO CN(C)C(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069510431 441958644 /nfs/dbraw/zinc/95/86/44/441958644.db2.gz PLNRKBIBYOYLJX-SFHVURJKSA-N 1 3 333.476 1.452 50 0 EDAAHO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc3cncn3c2C)CC1 ZINC000095993679 529150827 /nfs/dbraw/zinc/15/08/27/529150827.db2.gz BGMRXQIYWXIYHE-AWEZNQCLSA-N 1 3 329.448 1.399 50 0 EDAAHO C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000243914678 243031665 /nfs/dbraw/zinc/03/16/65/243031665.db2.gz BJICJTSDDSHLHQ-HNNXBMFYSA-N 1 3 348.466 1.912 50 0 EDAAHO CC[C@@H]1CCCCN1C(=O)CNCC1CC[NH+](C[C@H](C)O)CC1 ZINC000069898297 203061756 /nfs/dbraw/zinc/06/17/56/203061756.db2.gz VPWRXKBHJGFVLW-DOTOQJQBSA-N 1 3 325.497 1.460 50 0 EDAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000072146259 203168974 /nfs/dbraw/zinc/16/89/74/203168974.db2.gz FXNRRZBCORGLAR-OAHLLOKOSA-N 1 3 347.507 1.777 50 0 EDAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000072146259 203168976 /nfs/dbraw/zinc/16/89/76/203168976.db2.gz FXNRRZBCORGLAR-OAHLLOKOSA-N 1 3 347.507 1.777 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1noc(C)n1)CC[NH+](C)CC2 ZINC000072435928 203224757 /nfs/dbraw/zinc/22/47/57/203224757.db2.gz ZEVPDGQPIUTIEB-HNNXBMFYSA-N 1 3 349.479 1.233 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cc(C)no1)CC[NH+](C)CC2 ZINC000072447893 203225977 /nfs/dbraw/zinc/22/59/77/203225977.db2.gz MQFLBUUQTBCYBX-MRXNPFEDSA-N 1 3 334.464 1.796 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072430665 203222259 /nfs/dbraw/zinc/22/22/59/203222259.db2.gz IYFBKSWPRUUNRT-QGZVFWFLSA-N 1 3 347.507 1.575 50 0 EDAAHO CCCC[N@H+](C)CC1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000052210035 441440457 /nfs/dbraw/zinc/44/04/57/441440457.db2.gz BBZHLNFLVZVWMM-UHFFFAOYSA-N 1 3 345.491 1.940 50 0 EDAAHO CCCC[N@@H+](C)CC1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000052210035 441440462 /nfs/dbraw/zinc/44/04/62/441440462.db2.gz BBZHLNFLVZVWMM-UHFFFAOYSA-N 1 3 345.491 1.940 50 0 EDAAHO CN1CCN(CCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095368255 441914036 /nfs/dbraw/zinc/91/40/36/441914036.db2.gz KVYMPVDSYVKAMB-IBGZPJMESA-N 1 3 344.503 1.521 50 0 EDAAHO O=C(CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1)N1CCNCC1 ZINC000095369657 441914197 /nfs/dbraw/zinc/91/41/97/441914197.db2.gz UEEPXLDQPHRWDC-RBUKOAKNSA-N 1 3 342.487 1.015 50 0 EDAAHO O=C(CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1)N1CCNCC1 ZINC000095369657 441914201 /nfs/dbraw/zinc/91/42/01/441914201.db2.gz UEEPXLDQPHRWDC-RBUKOAKNSA-N 1 3 342.487 1.015 50 0 EDAAHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000096436390 442129862 /nfs/dbraw/zinc/12/98/62/442129862.db2.gz FBXRACCNJCCJQQ-SJLPKXTDSA-N 1 3 337.508 1.913 50 0 EDAAHO O=S(=O)(c1ccccc1)N1CCCN(CC2CC[NH2+]CC2)CC1 ZINC000178964018 442539567 /nfs/dbraw/zinc/53/95/67/442539567.db2.gz WCPVVMUIIITTQD-UHFFFAOYSA-N 1 3 337.489 1.383 50 0 EDAAHO OCCN1CCc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2CC1 ZINC000257185453 443119503 /nfs/dbraw/zinc/11/95/03/443119503.db2.gz JNOPQBABZITGQI-KRWDZBQOSA-N 1 3 341.459 1.118 50 0 EDAAHO OCCN1CCc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)n2CC1 ZINC000257185453 443119508 /nfs/dbraw/zinc/11/95/08/443119508.db2.gz JNOPQBABZITGQI-KRWDZBQOSA-N 1 3 341.459 1.118 50 0 EDAAHO CSCC[C@H](N)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000237305442 443167633 /nfs/dbraw/zinc/16/76/33/443167633.db2.gz ZRWLVXQTBOLTDE-XHSDSOJGSA-N 1 3 342.553 1.084 50 0 EDAAHO CSCC[C@H](N)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000237305442 443167636 /nfs/dbraw/zinc/16/76/36/443167636.db2.gz ZRWLVXQTBOLTDE-XHSDSOJGSA-N 1 3 342.553 1.084 50 0 EDAAHO COc1ccc(OC)c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c1 ZINC000072409301 203217995 /nfs/dbraw/zinc/21/79/95/203217995.db2.gz GOAVESDPLOMSBE-WMLDXEAASA-N 1 3 347.459 1.475 50 0 EDAAHO O=C1[C@H]2CC[C@H](CN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)N1Cc1cscn1 ZINC000102697327 204045748 /nfs/dbraw/zinc/04/57/48/204045748.db2.gz FNVHANQMFXYLPG-PJGLDBICSA-N 1 3 332.473 1.031 50 0 EDAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCC3(C)COC3)C2)CC1 ZINC000012757973 441141220 /nfs/dbraw/zinc/14/12/20/441141220.db2.gz GGGIPPLGBGKSNI-INIZCTEOSA-N 1 3 337.508 1.724 50 0 EDAAHO COc1ccc(CCNC[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cc1O ZINC000063856875 441358946 /nfs/dbraw/zinc/35/89/46/441358946.db2.gz ORYSNNPAFFQVCR-RTBURBONSA-N 1 3 334.460 1.912 50 0 EDAAHO COc1ccc(CCNC[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cc1O ZINC000063856875 441358948 /nfs/dbraw/zinc/35/89/48/441358948.db2.gz ORYSNNPAFFQVCR-RTBURBONSA-N 1 3 334.460 1.912 50 0 EDAAHO [NH3+]C1(C(=O)NC[C@@H]2CCN(Cc3ccc4nonc4c3)C2)CCCC1 ZINC000067885933 441692982 /nfs/dbraw/zinc/69/29/82/441692982.db2.gz XTMWXKGJIGBWCO-AWEZNQCLSA-N 1 3 343.431 1.432 50 0 EDAAHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000097141154 442174130 /nfs/dbraw/zinc/17/41/30/442174130.db2.gz XVRHUHRMVUFZNW-QRQLOZEOSA-N 1 3 344.503 1.574 50 0 EDAAHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000097141154 442174134 /nfs/dbraw/zinc/17/41/34/442174134.db2.gz XVRHUHRMVUFZNW-QRQLOZEOSA-N 1 3 344.503 1.574 50 0 EDAAHO Cc1c(C(=O)NCCN2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000237678672 443179637 /nfs/dbraw/zinc/17/96/37/443179637.db2.gz FMVQMXSVKCBWBB-CYBMUJFWSA-N 1 3 334.468 1.115 50 0 EDAAHO CN1CCN(CCCNC(=O)[C@@]2(C)CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000408513601 447666698 /nfs/dbraw/zinc/66/66/98/447666698.db2.gz AWQXAIYPNNSEEO-AZUAARDMSA-N 1 3 344.503 1.624 50 0 EDAAHO CN(CC1(CO)CCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000019535321 202009674 /nfs/dbraw/zinc/00/96/74/202009674.db2.gz KPZFLKURLVJVGY-MSOLQXFVSA-N 1 3 330.472 1.818 50 0 EDAAHO CC(C)[NH+]1CCC(CN2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000067843335 441686777 /nfs/dbraw/zinc/68/67/77/441686777.db2.gz NNLFWNYPNLCVBZ-INIZCTEOSA-N 1 3 331.526 1.368 50 0 EDAAHO CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000182513191 442779180 /nfs/dbraw/zinc/77/91/80/442779180.db2.gz MFRBRZRTKUCDMR-MOPGFXCFSA-N 1 3 345.487 1.642 50 0 EDAAHO COc1cc(C(=O)N2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)ccc1O ZINC000072164582 203178308 /nfs/dbraw/zinc/17/83/08/203178308.db2.gz ZRZNSZRQIKQFAK-MRXNPFEDSA-N 1 3 349.475 1.889 50 0 EDAAHO COc1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)ccc1O ZINC000072164582 203178311 /nfs/dbraw/zinc/17/83/11/203178311.db2.gz ZRZNSZRQIKQFAK-MRXNPFEDSA-N 1 3 349.475 1.889 50 0 EDAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCC(N)=O ZINC000005246916 440943467 /nfs/dbraw/zinc/94/34/67/440943467.db2.gz DHUMMCOAQISTNY-UHFFFAOYSA-N 1 3 329.828 1.254 50 0 EDAAHO O=C(C[NH2+]CC1CCN(CCO)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000089818633 441582133 /nfs/dbraw/zinc/58/21/33/441582133.db2.gz XQTMIRISSBTASP-MSOLQXFVSA-N 1 3 337.508 1.462 50 0 EDAAHO CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3CCC[NH2+]C3)cnn2c1 ZINC000067514843 441648242 /nfs/dbraw/zinc/64/82/42/441648242.db2.gz HZEOUYDVHFCGHP-CQSZACIVSA-N 1 3 330.436 1.053 50 0 EDAAHO O=C(NCC1CCN(Cc2cccc(O)c2)CC1)C1CC[NH2+]CC1 ZINC000067786495 441680032 /nfs/dbraw/zinc/68/00/32/441680032.db2.gz VYIKDIVJGWWRJH-UHFFFAOYSA-N 1 3 331.460 1.720 50 0 EDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@@H](C[NH3+])C3)cnn2c1 ZINC000067742373 441675943 /nfs/dbraw/zinc/67/59/43/441675943.db2.gz QFDSPWFLZYZHJG-AWEZNQCLSA-N 1 3 344.463 1.382 50 0 EDAAHO C[C@@H](O)C[NH+]1CCC(CNCc2nccn2CC(F)(F)F)CC1 ZINC000069329714 441918095 /nfs/dbraw/zinc/91/80/95/441918095.db2.gz CFTZWRFDJYYVQS-GFCCVEGCSA-N 1 3 334.386 1.628 50 0 EDAAHO C[C@H](O)C[NH+]1CCC(CNCc2nccn2CC(F)(F)F)CC1 ZINC000069329708 441918417 /nfs/dbraw/zinc/91/84/17/441918417.db2.gz CFTZWRFDJYYVQS-LBPRGKRZSA-N 1 3 334.386 1.628 50 0 EDAAHO C[NH+]1CCC(CN2CCN(c3cc([C@H]4C[C@@H](O)C4)ncn3)CC2)CC1 ZINC000244898817 443217184 /nfs/dbraw/zinc/21/71/84/443217184.db2.gz ZCCJFPOMYOZVCM-CALCHBBNSA-N 1 3 345.491 1.179 50 0 EDAAHO CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000069535422 203016002 /nfs/dbraw/zinc/01/60/02/203016002.db2.gz XCLBNLZEWKUQTM-INIZCTEOSA-N 1 3 331.460 1.775 50 0 EDAAHO C[C@H](NCCC(=O)N1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330032851 278256606 /nfs/dbraw/zinc/25/66/06/278256606.db2.gz SINMNEQHHJZXAA-IRXDYDNUSA-N 1 3 336.524 1.393 50 0 EDAAHO C[C@H](NCCC(=O)N1CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000330032851 278256608 /nfs/dbraw/zinc/25/66/08/278256608.db2.gz SINMNEQHHJZXAA-IRXDYDNUSA-N 1 3 336.524 1.393 50 0 EDAAHO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000330032851 278256611 /nfs/dbraw/zinc/25/66/11/278256611.db2.gz SINMNEQHHJZXAA-IRXDYDNUSA-N 1 3 336.524 1.393 50 0 EDAAHO CN(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000221813311 443073818 /nfs/dbraw/zinc/07/38/18/443073818.db2.gz OIPHXCKROXMMBT-MSOLQXFVSA-N 1 3 330.476 1.997 50 0 EDAAHO CN(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000221813311 443073824 /nfs/dbraw/zinc/07/38/24/443073824.db2.gz OIPHXCKROXMMBT-MSOLQXFVSA-N 1 3 330.476 1.997 50 0 EDAAHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000299739102 444128824 /nfs/dbraw/zinc/12/88/24/444128824.db2.gz KMSXDSNQHMHWJI-NXHRZFHOSA-N 1 3 346.475 1.177 50 0 EDAAHO CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584897192 448668889 /nfs/dbraw/zinc/66/88/89/448668889.db2.gz WHYGZXLAZKUTLP-IRXDYDNUSA-N 1 3 347.463 1.021 50 0 EDAAHO C[C@H]([NH2+]CC1CCN(CCO)CC1)C(=O)NC1CCCCCC1 ZINC000071870942 203133260 /nfs/dbraw/zinc/13/32/60/203133260.db2.gz QGHALACMAIXJLY-HNNXBMFYSA-N 1 3 325.497 1.508 50 0 EDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cnn2c1 ZINC000067842918 441686386 /nfs/dbraw/zinc/68/63/86/441686386.db2.gz VTFYCJNRJMHZPE-GOEBONIOSA-N 1 3 342.447 1.005 50 0 EDAAHO CC1CCN(C[C@@H](O)C[NH2+][C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000071876881 202352318 /nfs/dbraw/zinc/35/23/18/202352318.db2.gz VXGVIFHGWRVZIO-IRXDYDNUSA-N 1 3 333.480 1.128 50 0 EDAAHO Cc1nc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc2n1C ZINC000071847794 203128372 /nfs/dbraw/zinc/12/83/72/203128372.db2.gz QWJQGBZVZKYZCN-UHFFFAOYSA-N 1 3 331.464 1.447 50 0 EDAAHO C[C@H](C(=O)NCc1cccs1)N(C)CC1CC[NH+](CCO)CC1 ZINC000071871554 203133232 /nfs/dbraw/zinc/13/32/32/203133232.db2.gz HDPFCGDHZQGLRH-CQSZACIVSA-N 1 3 339.505 1.389 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1cnccn1)CC[NH+](C)CC2 ZINC000072406804 203216154 /nfs/dbraw/zinc/21/61/54/203216154.db2.gz NHLTZZRHPIGVFG-KRWDZBQOSA-N 1 3 345.491 1.631 50 0 EDAAHO COc1ccccc1CCCNC(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072421783 203220279 /nfs/dbraw/zinc/22/02/79/203220279.db2.gz RHJJVUGRLZNRRF-KRWDZBQOSA-N 1 3 345.487 1.818 50 0 EDAAHO CN1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351947 277105212 /nfs/dbraw/zinc/10/52/12/277105212.db2.gz AAWCVMPYNRRZOM-ROUUACIJSA-N 1 3 330.476 1.233 50 0 EDAAHO COc1ccccc1CCN1CCC(C[N@H+](C)C[C@@H](O)CO)CC1 ZINC000011957151 295359598 /nfs/dbraw/zinc/35/95/98/295359598.db2.gz ZUZKSQLYCJIETH-GOSISDBHSA-N 1 3 336.476 1.235 50 0 EDAAHO COc1ccccc1CCN1CCC(C[N@@H+](C)C[C@@H](O)CO)CC1 ZINC000011957151 295359600 /nfs/dbraw/zinc/35/96/00/295359600.db2.gz ZUZKSQLYCJIETH-GOSISDBHSA-N 1 3 336.476 1.235 50 0 EDAAHO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072426657 441230520 /nfs/dbraw/zinc/23/05/20/441230520.db2.gz QYAHAECFMIEZFE-HNNXBMFYSA-N 1 3 347.507 1.740 50 0 EDAAHO O=C([C@@H]1CCCN(C2CC[NH+](CC3CCC3)CC2)C1)N1CCOCC1 ZINC000082097521 441332515 /nfs/dbraw/zinc/33/25/15/441332515.db2.gz SLTBXHPXKHPSJD-GOSISDBHSA-N 1 3 349.519 1.822 50 0 EDAAHO [NH3+]CC[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCNC3)CCO1 ZINC000067541173 441650935 /nfs/dbraw/zinc/65/09/35/441650935.db2.gz INVBUMHIAGEZBW-HNNXBMFYSA-N 1 3 339.443 1.343 50 0 EDAAHO Nc1nc(N[C@H]2CCN(Cc3ccccc3)C2)cc(C2CC([NH3+])C2)n1 ZINC000222801189 443081727 /nfs/dbraw/zinc/08/17/27/443081727.db2.gz CAIFBFRMACVCDY-GPANFISMSA-N 1 3 338.459 1.950 50 0 EDAAHO COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCC[NH2+]C1)CNCCC2 ZINC000888098094 591027627 /nfs/dbraw/zinc/02/76/27/591027627.db2.gz ZFJDDKGPPCXFTG-SNVBAGLBSA-N 1 3 337.445 1.509 50 0 EDAAHO CN1CCN(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000022934687 202095606 /nfs/dbraw/zinc/09/56/06/202095606.db2.gz ILYHDZZBCHCGKC-UHFFFAOYSA-N 1 3 344.503 1.650 50 0 EDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(CCOCc3ccccc3)CC[C@H]21 ZINC000072428235 203222733 /nfs/dbraw/zinc/22/27/33/203222733.db2.gz STIJXHYONVTZMF-RBUKOAKNSA-N 1 3 345.487 1.736 50 0 EDAAHO O=C(C[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)N1CCCC1 ZINC000072267441 441210204 /nfs/dbraw/zinc/21/02/04/441210204.db2.gz XPGWURWXTDCTDE-IBGZPJMESA-N 1 3 345.487 1.644 50 0 EDAAHO C[C@@H]1CCCCN1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000072280933 441219817 /nfs/dbraw/zinc/21/98/17/441219817.db2.gz RNRPBWFANNYQSM-MRXNPFEDSA-N 1 3 340.512 1.613 50 0 EDAAHO NS(=O)(=O)c1ccc(CNC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000063871822 441360013 /nfs/dbraw/zinc/36/00/13/441360013.db2.gz ZHYCJFJCXGNXDJ-DOTOQJQBSA-N 1 3 337.489 1.688 50 0 EDAAHO NS(=O)(=O)c1ccc(CNC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000063871822 441360018 /nfs/dbraw/zinc/36/00/18/441360018.db2.gz ZHYCJFJCXGNXDJ-DOTOQJQBSA-N 1 3 337.489 1.688 50 0 EDAAHO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000063871822 441360020 /nfs/dbraw/zinc/36/00/20/441360020.db2.gz ZHYCJFJCXGNXDJ-DOTOQJQBSA-N 1 3 337.489 1.688 50 0 EDAAHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000252586169 443044842 /nfs/dbraw/zinc/04/48/42/443044842.db2.gz NYFNQZMCLCJGAF-WMLDXEAASA-N 1 3 346.475 1.485 50 0 EDAAHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000252586169 443044845 /nfs/dbraw/zinc/04/48/45/443044845.db2.gz NYFNQZMCLCJGAF-WMLDXEAASA-N 1 3 346.475 1.485 50 0 EDAAHO C[C@H](C(=O)NC1CCCCCC1)N(C)CC1CC[NH+](CCO)CC1 ZINC000069923587 289347879 /nfs/dbraw/zinc/34/78/79/289347879.db2.gz OXWSCORAQNTACS-MRXNPFEDSA-N 1 3 339.524 1.850 50 0 EDAAHO CN(C)C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000237030155 443156471 /nfs/dbraw/zinc/15/64/71/443156471.db2.gz CGIKSALIUSXTSD-INIZCTEOSA-N 1 3 342.447 1.235 50 0 EDAAHO CC(C)(C)n1cc(CNCCCC[NH+]2CCC(C(N)=O)CC2)cn1 ZINC000048711750 441325844 /nfs/dbraw/zinc/32/58/44/441325844.db2.gz FGLOQLGQOXWVTF-UHFFFAOYSA-N 1 3 335.496 1.705 50 0 EDAAHO CN(CC(=O)NC1CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069489451 441950245 /nfs/dbraw/zinc/95/02/45/441950245.db2.gz SRBVSKYPYQVVTC-IBGZPJMESA-N 1 3 345.487 1.642 50 0 EDAAHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587317 443044808 /nfs/dbraw/zinc/04/48/08/443044808.db2.gz XLPNKMBUYSNUTG-SLFFLAALSA-N 1 3 329.488 1.819 50 0 EDAAHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587317 443044811 /nfs/dbraw/zinc/04/48/11/443044811.db2.gz XLPNKMBUYSNUTG-SLFFLAALSA-N 1 3 329.488 1.819 50 0 EDAAHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587317 443044814 /nfs/dbraw/zinc/04/48/14/443044814.db2.gz XLPNKMBUYSNUTG-SLFFLAALSA-N 1 3 329.488 1.819 50 0 EDAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCN4CCOCC4)[C@@H]3C2)cc1 ZINC000215656017 443055854 /nfs/dbraw/zinc/05/58/54/443055854.db2.gz XLPNKMBUYSNUTG-ZCNNSNEGSA-N 1 3 329.488 1.819 50 0 EDAAHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCN4CCOCC4)[C@@H]3C2)cc1 ZINC000215656017 443055859 /nfs/dbraw/zinc/05/58/59/443055859.db2.gz XLPNKMBUYSNUTG-ZCNNSNEGSA-N 1 3 329.488 1.819 50 0 EDAAHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCN4CCOCC4)[C@@H]3C2)cc1 ZINC000215656017 443055861 /nfs/dbraw/zinc/05/58/61/443055861.db2.gz XLPNKMBUYSNUTG-ZCNNSNEGSA-N 1 3 329.488 1.819 50 0 EDAAHO O=C(c1ccc2c(c1)CCNC2)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072429151 216220545 /nfs/dbraw/zinc/22/05/45/216220545.db2.gz XFIBMHJUKQFDPZ-UHFFFAOYSA-N 1 3 343.471 1.394 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1cnccn1)CC[NH+](C)CC2 ZINC000072427829 216218540 /nfs/dbraw/zinc/21/85/40/216218540.db2.gz FESVBQYTOHKRLD-KRWDZBQOSA-N 1 3 345.491 1.332 50 0 EDAAHO CCCN1CCCn2nc(CNC(=O)C3(C)CC[NH2+]CC3)cc2C1 ZINC000082156059 441337815 /nfs/dbraw/zinc/33/78/15/441337815.db2.gz HPUARGZHRQVSTN-UHFFFAOYSA-N 1 3 333.480 1.505 50 0 EDAAHO Cc1cc(N2CCN(C3CCC4(CC[NH2+]CC4)CC3)CC2)nc(N)n1 ZINC000067894490 441693939 /nfs/dbraw/zinc/69/39/39/441693939.db2.gz QUNHLBXOEBDRLV-UHFFFAOYSA-N 1 3 344.507 1.802 50 0 EDAAHO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1cccc(CN2CCCCCC2)c1 ZINC000077425020 441777503 /nfs/dbraw/zinc/77/75/03/441777503.db2.gz VGQLKSKDBTUCJB-QZTJIDSGSA-N 1 3 331.460 1.515 50 0 EDAAHO C[C@@H](O)C[NH+]1CCC(CNCC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000069892767 442067525 /nfs/dbraw/zinc/06/75/25/442067525.db2.gz VIQQSGOWEJJTGT-KGLIPLIRSA-N 1 3 339.505 1.608 50 0 EDAAHO O=C(CN1CCCCCCC1)NCCC[N@H+]1CCC[C@@H](CO)C1 ZINC000584887266 448665045 /nfs/dbraw/zinc/66/50/45/448665045.db2.gz LPGHCHOZKRDFOZ-QGZVFWFLSA-N 1 3 325.497 1.463 50 0 EDAAHO O=C(CN1CCCCCCC1)NCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000584887266 448665050 /nfs/dbraw/zinc/66/50/50/448665050.db2.gz LPGHCHOZKRDFOZ-QGZVFWFLSA-N 1 3 325.497 1.463 50 0 EDAAHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc(C(N)=O)c1)C2 ZINC000685940963 539580510 /nfs/dbraw/zinc/58/05/10/539580510.db2.gz MEJBJEZLTDKOKS-VXNCWWDNSA-N 1 3 331.460 1.355 50 0 EDAAHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc(C(N)=O)c1)C2 ZINC000685940963 539580516 /nfs/dbraw/zinc/58/05/16/539580516.db2.gz MEJBJEZLTDKOKS-VXNCWWDNSA-N 1 3 331.460 1.355 50 0 EDAAHO C/C=C(\C)C[NH+]1CCC(CNC(=O)CN2CCCN(C)CC2)CC1 ZINC000067820953 215222243 /nfs/dbraw/zinc/22/22/43/215222243.db2.gz USRJLJVKFMPBSI-HAVNEIBRSA-N 1 3 336.524 1.418 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCCn1ccnc1)CC[NH+](C)CC2 ZINC000072423819 216212801 /nfs/dbraw/zinc/21/28/01/216212801.db2.gz LGJPWTXYTMMCAN-QGZVFWFLSA-N 1 3 347.507 1.586 50 0 EDAAHO C[C@@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC[NH2+]C1 ZINC000237591073 139055020 /nfs/dbraw/zinc/05/50/20/139055020.db2.gz IDLVTRWGADLMOH-LJQANCHMSA-N 1 3 331.460 1.259 50 0 EDAAHO CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCCNCCO)cc1 ZINC000013732985 441166500 /nfs/dbraw/zinc/16/65/00/441166500.db2.gz CDCXGTZCSOCKPP-UHFFFAOYSA-N 1 3 337.464 1.042 50 0 EDAAHO CC(C)(CN1CCCC1)C[NH+]1CCC(Cn2cc(CCO)nn2)CC1 ZINC000048306485 441290728 /nfs/dbraw/zinc/29/07/28/441290728.db2.gz IRVJALXIDATVME-UHFFFAOYSA-N 1 3 349.523 1.647 50 0 EDAAHO CN(c1ccccc1CN[C@@H]1CCC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000089375219 441543440 /nfs/dbraw/zinc/54/34/40/441543440.db2.gz ORROYGNLADWPIL-QGZVFWFLSA-N 1 3 344.503 1.927 50 0 EDAAHO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccn1-c1ccncc1 ZINC000067724489 441673570 /nfs/dbraw/zinc/67/35/70/441673570.db2.gz UPAPNLDPUSVIGP-PBHICJAKSA-N 1 3 327.432 1.299 50 0 EDAAHO C[C@@H]([NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)NC1CC1 ZINC000069597793 441984973 /nfs/dbraw/zinc/98/49/73/441984973.db2.gz MNVKOJLLLQDGDW-BEFAXECRSA-N 1 3 345.487 1.689 50 0 EDAAHO CN(C)CCn1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000120194399 442026991 /nfs/dbraw/zinc/02/69/91/442026991.db2.gz RCZZLTHOFDCWAM-INIZCTEOSA-N 1 3 348.495 1.784 50 0 EDAAHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000252586168 443044275 /nfs/dbraw/zinc/04/42/75/443044275.db2.gz NYFNQZMCLCJGAF-RHSMWYFYSA-N 1 3 346.475 1.485 50 0 EDAAHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000252586168 443044278 /nfs/dbraw/zinc/04/42/78/443044278.db2.gz NYFNQZMCLCJGAF-RHSMWYFYSA-N 1 3 346.475 1.485 50 0 EDAAHO COc1ccc2cc(CN3CCC(O)(C[NH+](C)C)CC3)c(=O)[nH]c2c1 ZINC000067833506 215224035 /nfs/dbraw/zinc/22/40/35/215224035.db2.gz WWHXZZGTFICPLZ-UHFFFAOYSA-N 1 3 345.443 1.425 50 0 EDAAHO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3(N)CCC3)C2)c(C)c1 ZINC000067981960 215267321 /nfs/dbraw/zinc/26/73/21/215267321.db2.gz WGRWWLOMWPPOFV-OAHLLOKOSA-N 1 3 331.460 1.823 50 0 EDAAHO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3(N)CCC3)C2)c(C)c1 ZINC000067981960 215267324 /nfs/dbraw/zinc/26/73/24/215267324.db2.gz WGRWWLOMWPPOFV-OAHLLOKOSA-N 1 3 331.460 1.823 50 0 EDAAHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000187927572 533485397 /nfs/dbraw/zinc/48/53/97/533485397.db2.gz MNCAHYWAZQIPAJ-OTWHNJEPSA-N 1 3 345.487 1.953 50 0 EDAAHO O=C(NCCc1ccc(O)cc1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065469541 441440653 /nfs/dbraw/zinc/44/06/53/441440653.db2.gz WOORLTZEYZOPMG-OXQOHEQNSA-N 1 3 343.471 1.515 50 0 EDAAHO O=C(NCCc1ccc(O)cc1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065469541 441440656 /nfs/dbraw/zinc/44/06/56/441440656.db2.gz WOORLTZEYZOPMG-OXQOHEQNSA-N 1 3 343.471 1.515 50 0 EDAAHO CN(CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1)CCc1ccccc1 ZINC000426478985 447453127 /nfs/dbraw/zinc/45/31/27/447453127.db2.gz QLGPRLPMJHBTQO-SFHVURJKSA-N 1 3 332.492 1.754 50 0 EDAAHO CO[C@H]1C[C@@H](CN(C)C(=O)c2c[nH]c(C3CC[NH+](C)CC3)n2)N(C)C1 ZINC000685942449 539582294 /nfs/dbraw/zinc/58/22/94/539582294.db2.gz QIVUNDROSZVZMA-GJZGRUSLSA-N 1 3 349.479 1.010 50 0 EDAAHO CC1(C)CC([N@@H+]2CC[C@H](CNC(=O)c3cnccn3)C2)CC(C)(C)N1 ZINC000067965543 215262959 /nfs/dbraw/zinc/26/29/59/215262959.db2.gz CBLKDYKUOOBMFO-CQSZACIVSA-N 1 3 345.491 1.838 50 0 EDAAHO CC1(C)CC([N@H+]2CC[C@H](CNC(=O)c3cnccn3)C2)CC(C)(C)N1 ZINC000067965543 215262961 /nfs/dbraw/zinc/26/29/61/215262961.db2.gz CBLKDYKUOOBMFO-CQSZACIVSA-N 1 3 345.491 1.838 50 0 EDAAHO CC1(C)CC(N2CC[C@H](CNC(=O)c3cnccn3)C2)CC(C)(C)[NH2+]1 ZINC000067965543 215262963 /nfs/dbraw/zinc/26/29/63/215262963.db2.gz CBLKDYKUOOBMFO-CQSZACIVSA-N 1 3 345.491 1.838 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1ccccn1)CC[NH+](C)CC2 ZINC000072425425 216216293 /nfs/dbraw/zinc/21/62/93/216216293.db2.gz YDBFUZWCVUAHLY-SFHVURJKSA-N 1 3 344.503 1.937 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1nnc(C)o1)CC[NH+](C)CC2 ZINC000072456624 216243195 /nfs/dbraw/zinc/24/31/95/216243195.db2.gz MHLLCLXCEITLTO-HNNXBMFYSA-N 1 3 349.479 1.533 50 0 EDAAHO Cn1c(CO)nnc1[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000244633070 243046665 /nfs/dbraw/zinc/04/66/65/243046665.db2.gz FVXDONNRCALXTJ-OTVXOJSOSA-N 1 3 333.480 1.550 50 0 EDAAHO Cn1c(CO)nnc1[C@H]1C[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000244633070 243046669 /nfs/dbraw/zinc/04/66/69/243046669.db2.gz FVXDONNRCALXTJ-OTVXOJSOSA-N 1 3 333.480 1.550 50 0 EDAAHO COCC[N@@H+]1CC[C@H](CNC(=O)C2CCN(Cc3ccco3)CC2)C1 ZINC000095390634 218322428 /nfs/dbraw/zinc/32/24/28/218322428.db2.gz SOOSVCCXYMKVFZ-MRXNPFEDSA-N 1 3 349.475 1.576 50 0 EDAAHO COCC[N@H+]1CC[C@H](CNC(=O)C2CCN(Cc3ccco3)CC2)C1 ZINC000095390634 218322430 /nfs/dbraw/zinc/32/24/30/218322430.db2.gz SOOSVCCXYMKVFZ-MRXNPFEDSA-N 1 3 349.475 1.576 50 0 EDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@H](C[NH3+])C3)cnn2c1 ZINC000067742371 279139084 /nfs/dbraw/zinc/13/90/84/279139084.db2.gz QFDSPWFLZYZHJG-CQSZACIVSA-N 1 3 344.463 1.382 50 0 EDAAHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237382127 443169639 /nfs/dbraw/zinc/16/96/39/443169639.db2.gz LJEZGWHLMMVPCA-QZTJIDSGSA-N 1 3 344.503 1.927 50 0 EDAAHO Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cc1OCCC[NH3+] ZINC000426473626 447450781 /nfs/dbraw/zinc/45/07/81/447450781.db2.gz PQEBIOWTLFJENQ-IRXDYDNUSA-N 1 3 347.459 1.004 50 0 EDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cnn(C)c3C3CC3)CC[C@H]21 ZINC000072428912 216221016 /nfs/dbraw/zinc/22/10/16/216221016.db2.gz HVSNZUHLAMLXKM-DOTOQJQBSA-N 1 3 345.491 1.330 50 0 EDAAHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccncc2)CC1 ZINC000047106282 441156133 /nfs/dbraw/zinc/15/61/33/441156133.db2.gz VVWPUOZZRVYSFL-IAGOWNOFSA-N 1 3 329.448 1.540 50 0 EDAAHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2ccncc2)CC1 ZINC000047106282 441156137 /nfs/dbraw/zinc/15/61/37/441156137.db2.gz VVWPUOZZRVYSFL-IAGOWNOFSA-N 1 3 329.448 1.540 50 0 EDAAHO CN1CCCN(Cc2cc(=O)c3ccccc3[nH]2)CC12CC[NH2+]CC2 ZINC000534676758 448465153 /nfs/dbraw/zinc/46/51/53/448465153.db2.gz ZKISKRSRSMYRPM-UHFFFAOYSA-N 1 3 340.471 1.788 50 0 EDAAHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cccc(C(N)=O)c1)C2 ZINC000685940964 539580218 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NC(=O)NC(=O)CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280611637 443737784 /nfs/dbraw/zinc/73/77/84/443737784.db2.gz XQYBUWSGHZZELR-IYBDPMFKSA-N 1 3 330.432 1.025 50 0 EDAAHO COc1cccc(C(=O)N2CCC[C@@H](N(C)C)C2)c1OCCC[NH3+] ZINC000426478952 447452980 /nfs/dbraw/zinc/45/29/80/447452980.db2.gz NWDWNRQODBBHPW-CQSZACIVSA-N 1 3 335.448 1.589 50 0 EDAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000072422107 216209763 /nfs/dbraw/zinc/20/97/63/216209763.db2.gz UXDBXSQCKIWIKR-MAUKXSAKSA-N 1 3 326.444 1.940 50 0 EDAAHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237470188 257945286 /nfs/dbraw/zinc/94/52/86/257945286.db2.gz HIROHUCDNSRHJF-SJORKVTESA-N 1 3 330.476 1.537 50 0 EDAAHO CCn1c(CN2CCN(C3CCCCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244700910 535982606 /nfs/dbraw/zinc/98/26/06/535982606.db2.gz JWDFDWHCXSHGND-WKILWMFISA-N 1 3 346.523 1.953 50 0 EDAAHO CN1CCN(C)CC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000863948079 596724801 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MEWACDJVUQDTDO-RBUKOAKNSA-N 1 3 345.487 1.865 50 0 EDAAHO COc1ccc(CN2CCC(CNC(=O)[C@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000408525427 250303868 /nfs/dbraw/zinc/30/38/68/250303868.db2.gz XKRRBHVVWXXVHN-IBGZPJMESA-N 1 3 349.450 1.725 50 0 EDAAHO [NH3+]CCc1cccc(CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1 ZINC000077504415 295240711 /nfs/dbraw/zinc/24/07/11/295240711.db2.gz JPCFZULKIKIGAQ-HXUWFJFHSA-N 1 3 345.487 1.385 50 0 EDAAHO CN(C)C(=O)CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000069510440 441958955 /nfs/dbraw/zinc/95/89/55/441958955.db2.gz ZLRQBMGUWXDZED-IBGZPJMESA-N 1 3 347.503 1.842 50 0 EDAAHO CN(C)C(=O)CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000069510440 441958960 /nfs/dbraw/zinc/95/89/60/441958960.db2.gz ZLRQBMGUWXDZED-IBGZPJMESA-N 1 3 347.503 1.842 50 0 EDAAHO OCCN1CCc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2CC1 ZINC000257185456 443119879 /nfs/dbraw/zinc/11/98/79/443119879.db2.gz JNOPQBABZITGQI-QGZVFWFLSA-N 1 3 341.459 1.118 50 0 EDAAHO OCCN1CCc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2CC1 ZINC000257185456 443119882 /nfs/dbraw/zinc/11/98/82/443119882.db2.gz JNOPQBABZITGQI-QGZVFWFLSA-N 1 3 341.459 1.118 50 0 EDAAHO COCCN(c1cc([C@@H]2CCC[NH2+]C2)nc(C)n1)C1CCN(C)CC1 ZINC000067489874 215153278 /nfs/dbraw/zinc/15/32/78/215153278.db2.gz ICMHFAUXVMXASB-MRXNPFEDSA-N 1 3 347.507 1.799 50 0 EDAAHO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccn1-c1ccncc1 ZINC000067676870 215183498 /nfs/dbraw/zinc/18/34/98/215183498.db2.gz UPAPNLDPUSVIGP-YOEHRIQHSA-N 1 3 327.432 1.299 50 0 EDAAHO Cc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cc1 ZINC000019334644 212017111 /nfs/dbraw/zinc/01/71/11/212017111.db2.gz UHTPUKZQZTTWQS-FQEVSTJZSA-N 1 3 331.504 1.958 50 0 EDAAHO Cc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cc1 ZINC000019334644 212017114 /nfs/dbraw/zinc/01/71/14/212017114.db2.gz UHTPUKZQZTTWQS-FQEVSTJZSA-N 1 3 331.504 1.958 50 0 EDAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccon3)C2)CC1 ZINC000011816586 211250472 /nfs/dbraw/zinc/25/04/72/211250472.db2.gz ZLNSEJKBUNSALF-HNNXBMFYSA-N 1 3 334.464 1.876 50 0 EDAAHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000119396443 221311811 /nfs/dbraw/zinc/31/18/11/221311811.db2.gz NYFNQZMCLCJGAF-YOEHRIQHSA-N 1 3 346.475 1.485 50 0 EDAAHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000119396443 221311813 /nfs/dbraw/zinc/31/18/13/221311813.db2.gz NYFNQZMCLCJGAF-YOEHRIQHSA-N 1 3 346.475 1.485 50 0 EDAAHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(C(=O)OC)C2)CC1 ZINC000088735332 441518160 /nfs/dbraw/zinc/51/81/60/441518160.db2.gz JXYCRSDKLRVIQT-KRWDZBQOSA-N 1 3 346.475 1.759 50 0 EDAAHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000090581893 441637068 /nfs/dbraw/zinc/63/70/68/441637068.db2.gz YTAFLBJJILSQGS-TZMCWYRMSA-N 1 3 345.534 1.655 50 0 EDAAHO CN1CCC(O)(CNC(=O)N[C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC000584899285 448670993 /nfs/dbraw/zinc/67/09/93/448670993.db2.gz JHYVUNCNDWWXQY-QGZVFWFLSA-N 1 3 348.491 1.435 50 0 EDAAHO C[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)N(C)C1CCCCC1 ZINC000584898186 448671037 /nfs/dbraw/zinc/67/10/37/448671037.db2.gz IDNFWNOLRNGURZ-OAHLLOKOSA-N 1 3 325.497 1.555 50 0 EDAAHO [NH3+][C@H]1C[C@H](c2cc(N3CCN(C4CCSCC4)CC3)ncn2)C1 ZINC000244794871 243084682 /nfs/dbraw/zinc/08/46/82/243084682.db2.gz QVKCWNLTFZFJTJ-HDJSIYSDSA-N 1 3 333.505 1.699 50 0 EDAAHO COc1cccc(N2CCC([N@@H+]3CC[C@@]4(O)CCNC[C@H]4C3)CC2)c1 ZINC000091694981 218049763 /nfs/dbraw/zinc/04/97/63/218049763.db2.gz WSDTVPFLMOQLHB-JXFKEZNVSA-N 1 3 345.487 1.710 50 0 EDAAHO COc1cccc(N2CCC([N@H+]3CC[C@@]4(O)CCNC[C@H]4C3)CC2)c1 ZINC000091694981 218049765 /nfs/dbraw/zinc/04/97/65/218049765.db2.gz WSDTVPFLMOQLHB-JXFKEZNVSA-N 1 3 345.487 1.710 50 0 EDAAHO COc1cccc(N2CCC(N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)CC2)c1 ZINC000091694981 218049767 /nfs/dbraw/zinc/04/97/67/218049767.db2.gz WSDTVPFLMOQLHB-JXFKEZNVSA-N 1 3 345.487 1.710 50 0 EDAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccncn3)C2)CC1 ZINC000071763454 441152645 /nfs/dbraw/zinc/15/26/45/441152645.db2.gz CIZOEAABRMTGOW-INIZCTEOSA-N 1 3 345.491 1.678 50 0 EDAAHO CN(c1ccccc1C[NH2+]CC1(O)CCOCC1)C1CCN(C)CC1 ZINC000089375222 441543491 /nfs/dbraw/zinc/54/34/91/441543491.db2.gz WOMAXCOBIKQDET-UHFFFAOYSA-N 1 3 347.503 1.848 50 0 EDAAHO Cc1nc2c(c(N3CCC[C@]4(CCCN(C)C4)C3)n1)CC[NH2+]CC2 ZINC000067842696 441686708 /nfs/dbraw/zinc/68/67/08/441686708.db2.gz ZPHBMBSPYPPVGS-IBGZPJMESA-N 1 3 329.492 1.785 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1nc(C)no1)CC[NH+](C)CC2 ZINC000072425080 216214365 /nfs/dbraw/zinc/21/43/65/216214365.db2.gz CDMXLZHDCYOENL-OAHLLOKOSA-N 1 3 349.479 1.533 50 0 EDAAHO COc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)ccc1F ZINC000072478387 216257345 /nfs/dbraw/zinc/25/73/45/216257345.db2.gz IYWQMBWQWGUDJM-GOEBONIOSA-N 1 3 335.423 1.606 50 0 EDAAHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000015063139 441194294 /nfs/dbraw/zinc/19/42/94/441194294.db2.gz TZMQPUGHAHLRSQ-UHFFFAOYSA-N 1 3 330.476 1.894 50 0 EDAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ncc[nH]3)C2)CC1 ZINC000012305824 711399725 /nfs/dbraw/zinc/39/97/25/711399725.db2.gz VVQZCNUHFCNALB-HNNXBMFYSA-N 1 3 333.480 1.611 50 0 EDAAHO CN(C)CCn1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000120194256 282115602 /nfs/dbraw/zinc/11/56/02/282115602.db2.gz RCZZLTHOFDCWAM-MRXNPFEDSA-N 1 3 348.495 1.784 50 0 EDAAHO CCN(CC)Cc1cnc2c(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cnn2c1 ZINC000067804502 215216102 /nfs/dbraw/zinc/21/61/02/215216102.db2.gz AUTZTIJCZZDOKH-GASCZTMLSA-N 1 3 342.447 1.148 50 0 EDAAHO CC1CC[NH+](C[C@@H](O)CN2CCN(C[C@H](O)C(C)(C)C)CC2)CC1 ZINC000069776627 215576756 /nfs/dbraw/zinc/57/67/56/215576756.db2.gz UWQLVHOFPRUKKO-MSOLQXFVSA-N 1 3 341.540 1.104 50 0 EDAAHO Cn1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)cn1 ZINC000072468190 216248087 /nfs/dbraw/zinc/24/80/87/216248087.db2.gz YJQYIDUGFOVHMA-ZWKOTPCHSA-N 1 3 345.491 1.233 50 0 EDAAHO c1cncc(-c2nc3c(c(N4CC[N@@H+]5CCC[C@@H]5C4)n2)CCNC3)c1 ZINC000071661348 441149045 /nfs/dbraw/zinc/14/90/45/441149045.db2.gz XSTPWYPFBJDEDY-OAHLLOKOSA-N 1 3 336.443 1.469 50 0 EDAAHO c1cncc(-c2nc3c(c(N4CC[N@H+]5CCC[C@@H]5C4)n2)CCNC3)c1 ZINC000071661348 441149048 /nfs/dbraw/zinc/14/90/48/441149048.db2.gz XSTPWYPFBJDEDY-OAHLLOKOSA-N 1 3 336.443 1.469 50 0 EDAAHO [NH3+]CC[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCNC3)CCO1 ZINC000067541171 441650422 /nfs/dbraw/zinc/65/04/22/441650422.db2.gz INVBUMHIAGEZBW-OAHLLOKOSA-N 1 3 339.443 1.343 50 0 EDAAHO CCc1cc(N2CCC(N[C@@H]3CC[NH2+]C3)CC2)nc(N2CCCC2)n1 ZINC000095508740 441942759 /nfs/dbraw/zinc/94/27/59/441942759.db2.gz QCFDFUXPUPZVIC-QGZVFWFLSA-N 1 3 344.507 1.560 50 0 EDAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587318 443044614 /nfs/dbraw/zinc/04/46/14/443044614.db2.gz XLPNKMBUYSNUTG-UFYCRDLUSA-N 1 3 329.488 1.819 50 0 EDAAHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587318 443044617 /nfs/dbraw/zinc/04/46/17/443044617.db2.gz XLPNKMBUYSNUTG-UFYCRDLUSA-N 1 3 329.488 1.819 50 0 EDAAHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCN4CCOCC4)[C@H]3C2)cc1 ZINC000252587318 443044622 /nfs/dbraw/zinc/04/46/22/443044622.db2.gz XLPNKMBUYSNUTG-UFYCRDLUSA-N 1 3 329.488 1.819 50 0 EDAAHO C[NH+](C)C[C@H]1[C@@H]2CN(c3nc(N)nc(NCc4ccccc4)n3)C[C@H]12 ZINC000102780235 219229831 /nfs/dbraw/zinc/22/98/31/219229831.db2.gz JLNGBCLLKDXYLT-QKDCVEJESA-N 1 3 339.447 1.310 50 0 EDAAHO CN1CCC(C(=O)NC[C@]2(O)CCC[NH2+]CC2)(c2ccccc2)CC1 ZINC000072155872 216045898 /nfs/dbraw/zinc/04/58/98/216045898.db2.gz KDXUDQXEHSHRCP-IBGZPJMESA-N 1 3 345.487 1.271 50 0 EDAAHO Nc1nc2c(c(NC[C@@H](c3ccco3)N3CCCC3)n1)CC[NH2+]CC2 ZINC000072424972 216214709 /nfs/dbraw/zinc/21/47/09/216214709.db2.gz HRWRTLIZQGVVNP-HNNXBMFYSA-N 1 3 342.447 1.589 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072430666 216224087 /nfs/dbraw/zinc/22/40/87/216224087.db2.gz IYFBKSWPRUUNRT-KRWDZBQOSA-N 1 3 347.507 1.575 50 0 EDAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCCn3cccn3)C2)CC1 ZINC000012573382 441136046 /nfs/dbraw/zinc/13/60/46/441136046.db2.gz LSGKONXUYTYSFH-KRWDZBQOSA-N 1 3 347.507 1.584 50 0 EDAAHO CN(CC(=O)N1CCC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069815404 442049292 /nfs/dbraw/zinc/04/92/92/442049292.db2.gz HKSVHHYJHIZTAB-IBGZPJMESA-N 1 3 345.487 1.596 50 0 EDAAHO CON(C)C(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000170616865 442236998 /nfs/dbraw/zinc/23/69/98/442236998.db2.gz DVBNUXSOIUAQDA-HZPDHXFCSA-N 1 3 341.496 1.608 50 0 EDAAHO CN1CCC(O)(CNC(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC000584899284 448670869 /nfs/dbraw/zinc/67/08/69/448670869.db2.gz JHYVUNCNDWWXQY-KRWDZBQOSA-N 1 3 348.491 1.435 50 0 EDAAHO Cc1cccc2nc(CN3CCC[C@](O)(C[NH+](C)C)CC3)cc(=O)n12 ZINC000072165263 216053674 /nfs/dbraw/zinc/05/36/74/216053674.db2.gz DXHVOYULILZQGM-LJQANCHMSA-N 1 3 344.459 1.282 50 0 EDAAHO CN1CC2(C[C@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH2+]CC2 ZINC000072410350 216203147 /nfs/dbraw/zinc/20/31/47/216203147.db2.gz UENJZTZEAXBZGD-SFHVURJKSA-N 1 3 343.471 1.957 50 0 EDAAHO Cn1ncc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)c1C1CC1 ZINC000072439904 216233594 /nfs/dbraw/zinc/23/35/94/216233594.db2.gz ZRWMVZTVPGTGIR-DOTOQJQBSA-N 1 3 345.491 1.459 50 0 EDAAHO c1cncc(-c2nc3c(c(N4CC[N@@H+]5CCC[C@H]5C4)n2)CCNC3)c1 ZINC000230189837 242245395 /nfs/dbraw/zinc/24/53/95/242245395.db2.gz XSTPWYPFBJDEDY-HNNXBMFYSA-N 1 3 336.443 1.469 50 0 EDAAHO c1cncc(-c2nc3c(c(N4CC[N@H+]5CCC[C@H]5C4)n2)CCNC3)c1 ZINC000230189837 242245398 /nfs/dbraw/zinc/24/53/98/242245398.db2.gz XSTPWYPFBJDEDY-HNNXBMFYSA-N 1 3 336.443 1.469 50 0 EDAAHO C[N@H+](CCOC[C@H]1CCCO1)C1CCN(C2CCOCC2)CC1 ZINC000095400876 218335357 /nfs/dbraw/zinc/33/53/57/218335357.db2.gz QJKDFPKACDGZPI-GOSISDBHSA-N 1 3 326.481 1.757 50 0 EDAAHO C[N@@H+](CCOC[C@H]1CCCO1)C1CCN(C2CCOCC2)CC1 ZINC000095400876 218335359 /nfs/dbraw/zinc/33/53/59/218335359.db2.gz QJKDFPKACDGZPI-GOSISDBHSA-N 1 3 326.481 1.757 50 0 EDAAHO C[C@H](O)C[NH+]1CCC(CNCC(=O)NCc2ccccc2F)CC1 ZINC000071870970 441176874 /nfs/dbraw/zinc/17/68/74/441176874.db2.gz BRLBKQUCIYEIQC-AWEZNQCLSA-N 1 3 337.439 1.124 50 0 EDAAHO CN(C)CCOc1ccccc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058356806 441185207 /nfs/dbraw/zinc/18/52/07/441185207.db2.gz JSDCQISHDXGMJL-HNNXBMFYSA-N 1 3 329.448 1.655 50 0 EDAAHO C[C@H](O)C[NH+]1CCC(CNCC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000069892764 442068527 /nfs/dbraw/zinc/06/85/27/442068527.db2.gz VIQQSGOWEJJTGT-KBPBESRZSA-N 1 3 339.505 1.608 50 0 EDAAHO CN(C)C(=O)NCc1cc2n(n1)CCCN(C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244574783 443212656 /nfs/dbraw/zinc/21/26/56/443212656.db2.gz CRJZBGUFHIOFJJ-GASCZTMLSA-N 1 3 348.495 1.378 50 0 EDAAHO COc1ccc(-n2cccn2)c(CN2CCC3(CC2)C[NH2+]CCO3)c1 ZINC000426634279 447483071 /nfs/dbraw/zinc/48/30/71/447483071.db2.gz NIARBIFYRRMYMU-UHFFFAOYSA-N 1 3 342.443 1.835 50 0 EDAAHO O=C1CCCN1C[C@@H](O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121897506 490999871 /nfs/dbraw/zinc/99/98/71/490999871.db2.gz BTGZHGHWPZPEFI-SFHVURJKSA-N 1 3 337.508 1.558 50 0 EDAAHO CS(=O)(=O)NC1CCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067879885 215238511 /nfs/dbraw/zinc/23/85/11/215238511.db2.gz IAQFUSPMKSNOMK-UHFFFAOYSA-N 1 3 329.510 1.312 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCn1ccc(C)n1)CC[NH+](C)CC2 ZINC000072469479 283317191 /nfs/dbraw/zinc/31/71/91/283317191.db2.gz QCDZAQUESVGVDG-QGZVFWFLSA-N 1 3 347.507 1.504 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1ccccn1)CC[NH+](C)CC2 ZINC000072425424 216215814 /nfs/dbraw/zinc/21/58/14/216215814.db2.gz YDBFUZWCVUAHLY-GOSISDBHSA-N 1 3 344.503 1.937 50 0 EDAAHO CN1CCC(c2cc(N(CC[NH+](C)C)C[C@H]3CCCO3)ncn2)CC1 ZINC000063848371 441357976 /nfs/dbraw/zinc/35/79/76/441357976.db2.gz USTNXCGEMFDYJB-QGZVFWFLSA-N 1 3 347.507 1.833 50 0 EDAAHO C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000097095281 442166340 /nfs/dbraw/zinc/16/63/40/442166340.db2.gz APOTXYFRFZVBNI-RBUKOAKNSA-N 1 3 345.487 1.601 50 0 EDAAHO C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000097095281 442166345 /nfs/dbraw/zinc/16/63/45/442166345.db2.gz APOTXYFRFZVBNI-RBUKOAKNSA-N 1 3 345.487 1.601 50 0 EDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)cnn2c1 ZINC000067563307 279139034 /nfs/dbraw/zinc/13/90/34/279139034.db2.gz FQBOPPWWPCGEJZ-OAHLLOKOSA-N 1 3 344.463 1.347 50 0 EDAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCCn3cccn3)C2)CC1 ZINC000012573366 441136111 /nfs/dbraw/zinc/13/61/11/441136111.db2.gz LSGKONXUYTYSFH-QGZVFWFLSA-N 1 3 347.507 1.584 50 0 EDAAHO CC1CC[NH+](C[C@H](O)CN2CCN(C[C@H](O)C(C)(C)C)CC2)CC1 ZINC000069776625 442037390 /nfs/dbraw/zinc/03/73/90/442037390.db2.gz UWQLVHOFPRUKKO-ROUUACIJSA-N 1 3 341.540 1.104 50 0 EDAAHO N[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000261766292 443169409 /nfs/dbraw/zinc/16/94/09/443169409.db2.gz OLCSXRIODKVDLI-VQTJNVASSA-N 1 3 335.451 1.942 50 0 EDAAHO CC(C)C[NH2+]Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000012030532 211281904 /nfs/dbraw/zinc/28/19/04/211281904.db2.gz XGRITQFTUIMCDO-SFHVURJKSA-N 1 3 336.476 1.629 50 0 EDAAHO OC[C@H]1CN(C2Cc3ccccc3C2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000091452754 218009048 /nfs/dbraw/zinc/00/90/48/218009048.db2.gz YSPMOAZJJVXORJ-WOJBJXKFSA-N 1 3 344.499 1.398 50 0 EDAAHO COc1ccc(C(=O)NCCN2CCCCCC2)c(OCC[NH3+])c1 ZINC000426392735 254490595 /nfs/dbraw/zinc/49/05/95/254490595.db2.gz HFVKXESDDSQUSH-UHFFFAOYSA-N 1 3 335.448 1.639 50 0 EDAAHO CN(c1ccccc1CN[C@H]1CCC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000089375220 441543742 /nfs/dbraw/zinc/54/37/42/441543742.db2.gz ORROYGNLADWPIL-KRWDZBQOSA-N 1 3 344.503 1.927 50 0 EDAAHO C[C@@H](O)C[NH+]1CCC(CNCC(=O)N[C@H](C)c2cccs2)CC1 ZINC000069892770 442068301 /nfs/dbraw/zinc/06/83/01/442068301.db2.gz VIQQSGOWEJJTGT-ZIAGYGMSSA-N 1 3 339.505 1.608 50 0 EDAAHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000096436389 442130312 /nfs/dbraw/zinc/13/03/12/442130312.db2.gz FBXRACCNJCCJQQ-AEFFLSMTSA-N 1 3 337.508 1.913 50 0 EDAAHO Cn1cc(C[NH2+]C[C@H](O)CN2CCCCC2)c(-c2cccnc2)n1 ZINC000097160068 442177044 /nfs/dbraw/zinc/17/70/44/442177044.db2.gz YJRKGDHSLCNAOA-KRWDZBQOSA-N 1 3 329.448 1.419 50 0 EDAAHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000058308409 441177207 /nfs/dbraw/zinc/17/72/07/441177207.db2.gz YSQQMEQWMJNPOG-INIZCTEOSA-N 1 3 329.448 1.655 50 0 EDAAHO CCCNC(=O)[C@@H](C)N(C)CCCCN(C)[C@H](C)C(=O)NCCC ZINC000106801551 441373004 /nfs/dbraw/zinc/37/30/04/441373004.db2.gz YJRZDUBUQGKRGZ-HZPDHXFCSA-N 1 3 342.528 1.460 50 0 EDAAHO CCCNC(=O)[C@@H](C)N(C)CCCC[N@H+](C)[C@H](C)C(=O)NCCC ZINC000106801551 441373007 /nfs/dbraw/zinc/37/30/07/441373007.db2.gz YJRZDUBUQGKRGZ-HZPDHXFCSA-N 1 3 342.528 1.460 50 0 EDAAHO CCCNC(=O)[C@@H](C)N(C)CCCC[N@@H+](C)[C@H](C)C(=O)NCCC ZINC000106801551 441373011 /nfs/dbraw/zinc/37/30/11/441373011.db2.gz YJRZDUBUQGKRGZ-HZPDHXFCSA-N 1 3 342.528 1.460 50 0 EDAAHO CN(C)Cc1ccccc1CNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219998654 443063029 /nfs/dbraw/zinc/06/30/29/443063029.db2.gz QUDVSVBIRZZGPD-UHFFFAOYSA-N 1 3 326.448 1.937 50 0 EDAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)N(C)Cc3ncc[nH]3)C2)CC1 ZINC000071776378 491166893 /nfs/dbraw/zinc/16/68/93/491166893.db2.gz HNDOGPAWTCDMPE-MRXNPFEDSA-N 1 3 347.507 1.953 50 0 EDAAHO CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1(C)C ZINC000261852650 535439200 /nfs/dbraw/zinc/43/92/00/535439200.db2.gz VMUXFASRMYRGPF-AXVVYFOYSA-N 1 3 345.487 1.720 50 0 EDAAHO O=C(NCCN1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097823396 219058639 /nfs/dbraw/zinc/05/86/39/219058639.db2.gz NOMGUUJWBLGWTH-LJQANCHMSA-N 1 3 345.487 1.859 50 0 EDAAHO COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CNCCOC(C)C)c1 ZINC000014952920 286346331 /nfs/dbraw/zinc/34/63/31/286346331.db2.gz XQGNHZWDLGNRPF-INIZCTEOSA-N 1 3 340.464 1.511 50 0 EDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CCC(C[NH3+])CC3)cnn2c1 ZINC000067886142 276335300 /nfs/dbraw/zinc/33/53/00/276335300.db2.gz YHUKEXGTMUZTDG-UHFFFAOYSA-N 1 3 344.463 1.382 50 0 EDAAHO C[C@H](C(=O)N1CCCCCC1)N(C)CC1CC[NH+](CCO)CC1 ZINC000069947419 441094061 /nfs/dbraw/zinc/09/40/61/441094061.db2.gz ARIIPQHYQNZBDY-MRXNPFEDSA-N 1 3 325.497 1.414 50 0 EDAAHO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072426658 441231636 /nfs/dbraw/zinc/23/16/36/441231636.db2.gz QYAHAECFMIEZFE-OAHLLOKOSA-N 1 3 347.507 1.740 50 0 EDAAHO CC(C)(N)c1cn(CC2CCN(C(=O)C3(C)CC[NH2+]CC3)CC2)nn1 ZINC000048436033 441305602 /nfs/dbraw/zinc/30/56/02/441305602.db2.gz NRYLIHMYQQNLBE-UHFFFAOYSA-N 1 3 348.495 1.100 50 0 EDAAHO [NH3+]CCc1nc2ccccc2c(NCCN2CCCC[C@@H]2CO)n1 ZINC000065528346 441451920 /nfs/dbraw/zinc/45/19/20/441451920.db2.gz WNWYZOMKXPWDMR-CQSZACIVSA-N 1 3 329.448 1.390 50 0 EDAAHO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2C[C@H](O)CN2CCC(C)CC2)n1 ZINC000069601647 441987240 /nfs/dbraw/zinc/98/72/40/441987240.db2.gz WYDBREHFTYNSRJ-RTBURBONSA-N 1 3 349.523 1.842 50 0 EDAAHO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2C[C@H](O)CN2CCC(C)CC2)n1 ZINC000069601647 441987248 /nfs/dbraw/zinc/98/72/48/441987248.db2.gz WYDBREHFTYNSRJ-RTBURBONSA-N 1 3 349.523 1.842 50 0 EDAAHO C[C@@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)N(C)C1CCCCC1 ZINC000584898185 448670921 /nfs/dbraw/zinc/67/09/21/448670921.db2.gz IDNFWNOLRNGURZ-HNNXBMFYSA-N 1 3 325.497 1.555 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCc1c(C)n[nH]c1C)CC[NH+](C)CC2 ZINC000072426526 216217440 /nfs/dbraw/zinc/21/74/40/216217440.db2.gz KHXSHTLYNPYDSY-KRWDZBQOSA-N 1 3 347.507 1.839 50 0 EDAAHO CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C)CC2)CCN1CCOC ZINC000229513811 242171548 /nfs/dbraw/zinc/17/15/48/242171548.db2.gz HZTMICLIZCJDJM-MSOLQXFVSA-N 1 3 327.513 1.122 50 0 EDAAHO CCCc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)o1 ZINC000092065559 218112889 /nfs/dbraw/zinc/11/28/89/218112889.db2.gz MNLYEYDYMZBXKI-QZTJIDSGSA-N 1 3 349.519 1.910 50 0 EDAAHO CCCc1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)o1 ZINC000092065559 218112891 /nfs/dbraw/zinc/11/28/91/218112891.db2.gz MNLYEYDYMZBXKI-QZTJIDSGSA-N 1 3 349.519 1.910 50 0 EDAAHO Cc1cc(N2CCC([NH2+]Cc3cncn3CC(C)C)CC2)nc(N)n1 ZINC000095381897 218314879 /nfs/dbraw/zinc/31/48/79/218314879.db2.gz YOBKPPOBWTUNEX-UHFFFAOYSA-N 1 3 343.479 1.978 50 0 EDAAHO CC(C)N1CCN(CCC[NH+]2CCC(C3(C)OCCO3)CC2)CC1 ZINC000253397368 443055742 /nfs/dbraw/zinc/05/57/42/443055742.db2.gz RYKYSCAOBIKLSM-UHFFFAOYSA-N 1 3 339.524 1.878 50 0 EDAAHO CN1CCN(CCCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000239351946 443199132 /nfs/dbraw/zinc/19/91/32/443199132.db2.gz AAWCVMPYNRRZOM-QZTJIDSGSA-N 1 3 330.476 1.233 50 0 EDAAHO COc1cccc(C(=O)N2CCC[C@H](N(C)C)C2)c1OCCC[NH3+] ZINC000426478950 447452322 /nfs/dbraw/zinc/45/23/22/447452322.db2.gz NWDWNRQODBBHPW-AWEZNQCLSA-N 1 3 335.448 1.589 50 0 EDAAHO Cc1ncc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)[nH]1 ZINC000072431646 216225395 /nfs/dbraw/zinc/22/53/95/216225395.db2.gz ZIJBJQDMCPDKAY-FUHWJXTLSA-N 1 3 345.491 1.531 50 0 EDAAHO C[C@@H](C(=O)N1CCCCCC1)N(C)CC1CC[NH+](CCO)CC1 ZINC000069947417 203064544 /nfs/dbraw/zinc/06/45/44/203064544.db2.gz ARIIPQHYQNZBDY-INIZCTEOSA-N 1 3 325.497 1.414 50 0 EDAAHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000096489896 276388616 /nfs/dbraw/zinc/38/86/16/276388616.db2.gz AJLMKLDNDDMJCJ-KRWDZBQOSA-N 1 3 331.460 1.823 50 0 EDAAHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000096489896 276388618 /nfs/dbraw/zinc/38/86/18/276388618.db2.gz AJLMKLDNDDMJCJ-KRWDZBQOSA-N 1 3 331.460 1.823 50 0 EDAAHO CN1CCN(CCCNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000239351945 277105511 /nfs/dbraw/zinc/10/55/11/277105511.db2.gz AAWCVMPYNRRZOM-MSOLQXFVSA-N 1 3 330.476 1.233 50 0 EDAAHO C[NH+](C)CCOc1cccc(CN2CCC3(C[C@@H](O)CO3)CC2)c1 ZINC000097681809 289171985 /nfs/dbraw/zinc/17/19/85/289171985.db2.gz OKAVILFGYBSKRI-QGZVFWFLSA-N 1 3 334.460 1.743 50 0 EDAAHO CNS(=O)(=O)Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000095967392 441963211 /nfs/dbraw/zinc/96/32/11/441963211.db2.gz KLIHOFVHGCFKTE-UHFFFAOYSA-N 1 3 339.505 1.698 50 0 EDAAHO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(C3CCCCC3)CC2)n1 ZINC000220475504 443065962 /nfs/dbraw/zinc/06/59/62/443065962.db2.gz NNQFCQRJLMKVKV-UHFFFAOYSA-N 1 3 330.480 1.718 50 0 EDAAHO CN(CCN(C)C1CC1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000343072181 445043071 /nfs/dbraw/zinc/04/30/71/445043071.db2.gz DDJGBGFINWQOOJ-INIZCTEOSA-N 1 3 325.522 1.757 50 0 EDAAHO O=C1CC[C@H]2CN(Cc3ccncc3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072426853 203221387 /nfs/dbraw/zinc/22/13/87/203221387.db2.gz GFHGSQJJABSGTJ-RBUKOAKNSA-N 1 3 342.487 1.894 50 0 EDAAHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000090581891 441636512 /nfs/dbraw/zinc/63/65/12/441636512.db2.gz YTAFLBJJILSQGS-OCCSQVGLSA-N 1 3 345.534 1.655 50 0 EDAAHO CC(C)[NH+]1CCC(CN2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000067843333 441686789 /nfs/dbraw/zinc/68/67/89/441686789.db2.gz NNLFWNYPNLCVBZ-MRXNPFEDSA-N 1 3 331.526 1.368 50 0 EDAAHO c1nc(NC[C@H]2CCCO2)ncc1CN1CCC2(CC1)C[NH2+]CCO2 ZINC000426635585 447484882 /nfs/dbraw/zinc/48/48/82/447484882.db2.gz VVVVEANCYCBMME-MRXNPFEDSA-N 1 3 347.463 1.022 50 0 EDAAHO C[C@@H]([NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)NC1CC1 ZINC000069597805 203025429 /nfs/dbraw/zinc/02/54/29/203025429.db2.gz MNVKOJLLLQDGDW-DNVCBOLYSA-N 1 3 345.487 1.689 50 0 EDAAHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069922685 296181716 /nfs/dbraw/zinc/18/17/16/296181716.db2.gz GGRQORKFGRDLBE-NEPJUHHUSA-N 1 3 339.402 1.078 50 0 EDAAHO CN(C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[C@@H]1CCN(C)C1 ZINC000426396655 447434169 /nfs/dbraw/zinc/43/41/69/447434169.db2.gz STGKZZRMADWMHV-GOSISDBHSA-N 1 3 344.503 1.996 50 0 EDAAHO Cc1ccsc1[C@H](CNC(=O)c1cc2n(n1)CCC[NH2+]C2)N(C)C ZINC000065385864 441422442 /nfs/dbraw/zinc/42/24/42/441422442.db2.gz KLKQSTNUSBAVLZ-HNNXBMFYSA-N 1 3 347.488 1.779 50 0 EDAAHO Cc1c[nH]c(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000670441952 486520199 /nfs/dbraw/zinc/52/01/99/486520199.db2.gz MDLIRCBRWBRGLW-UHFFFAOYSA-N 1 3 348.495 1.418 50 0 EDAAHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cccc(C(N)=O)c1)C2 ZINC000685940962 539580551 /nfs/dbraw/zinc/58/05/51/539580551.db2.gz MEJBJEZLTDKOKS-VXIBKDFQSA-N 1 3 331.460 1.355 50 0 EDAAHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cccc(C(N)=O)c1)C2 ZINC000685940962 539580558 /nfs/dbraw/zinc/58/05/58/539580558.db2.gz MEJBJEZLTDKOKS-VXIBKDFQSA-N 1 3 331.460 1.355 50 0 EDAAHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000299739101 201355556 /nfs/dbraw/zinc/35/55/56/201355556.db2.gz KMSXDSNQHMHWJI-KBAYOESNSA-N 1 3 346.475 1.177 50 0 EDAAHO CN1CCCN(CC(=O)NCCc2ccccc2)CC12CC[NH2+]CC2 ZINC000244840236 243088352 /nfs/dbraw/zinc/08/83/52/243088352.db2.gz UJMGERJEVCYSPS-UHFFFAOYSA-N 1 3 344.503 1.105 50 0 EDAAHO CC[C@H]1CCCCN1C(=O)CNCC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069898295 203061769 /nfs/dbraw/zinc/06/17/69/203061769.db2.gz VPWRXKBHJGFVLW-WBVHZDCISA-N 1 3 325.497 1.460 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCn1cccc1)CC[NH+](C)CC2 ZINC000072469582 203229624 /nfs/dbraw/zinc/22/96/24/203229624.db2.gz HIXISZIIVUDIDN-QGZVFWFLSA-N 1 3 332.492 1.801 50 0 EDAAHO COc1ccc([C@@H]2CN(C(=O)CC[NH3+])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095387943 441918637 /nfs/dbraw/zinc/91/86/37/441918637.db2.gz UUGJZEKXMSCPQC-QXAKKESOSA-N 1 3 329.444 1.433 50 0 EDAAHO CN1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202627 443163060 /nfs/dbraw/zinc/16/30/60/443163060.db2.gz AAWCVMPYNRRZOM-ZWKOTPCHSA-N 1 3 330.476 1.233 50 0 EDAAHO C[NH+](C)CCN(CCO)C(=O)c1ccc(-c2cc(N)ccn2)cc1 ZINC000426530702 447465954 /nfs/dbraw/zinc/46/59/54/447465954.db2.gz ZAQISKBZQRBRHW-UHFFFAOYSA-N 1 3 328.416 1.327 50 0 EDAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014748999 201941636 /nfs/dbraw/zinc/94/16/36/201941636.db2.gz NUWRGIGMPHPMDM-UHFFFAOYSA-N 1 3 338.496 1.713 50 0 EDAAHO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1OCCN(C)C)CN2 ZINC000058299007 201141467 /nfs/dbraw/zinc/14/14/67/201141467.db2.gz BLROOACGEHAQEL-INIZCTEOSA-N 1 3 343.475 1.963 50 0 EDAAHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2ccncc2)CC1 ZINC000229194096 242151054 /nfs/dbraw/zinc/15/10/54/242151054.db2.gz VVWPUOZZRVYSFL-IRXDYDNUSA-N 1 3 329.448 1.540 50 0 EDAAHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2ccncc2)CC1 ZINC000229194096 242151058 /nfs/dbraw/zinc/15/10/58/242151058.db2.gz VVWPUOZZRVYSFL-IRXDYDNUSA-N 1 3 329.448 1.540 50 0 EDAAHO C[C@@H](NC(=O)CNCC1CC[NH+](C[C@H](C)O)CC1)c1cccs1 ZINC000069892769 203061503 /nfs/dbraw/zinc/06/15/03/203061503.db2.gz VIQQSGOWEJJTGT-UONOGXRCSA-N 1 3 339.505 1.608 50 0 EDAAHO CCc1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)n2nccc2n1 ZINC000072475451 203231205 /nfs/dbraw/zinc/23/12/05/203231205.db2.gz FTLXGRIPMYMXRJ-UHFFFAOYSA-N 1 3 342.491 1.756 50 0 EDAAHO COCCN1C[C@H](C[N@@H+]2CCCN(c3ccnc(C)c3)CC2)CC1=O ZINC000299799522 258103013 /nfs/dbraw/zinc/10/30/13/258103013.db2.gz GZFZIKZZXNHKEE-KRWDZBQOSA-N 1 3 346.475 1.397 50 0 EDAAHO COCCN1C[C@H](C[N@H+]2CCCN(c3ccnc(C)c3)CC2)CC1=O ZINC000299799522 258103014 /nfs/dbraw/zinc/10/30/14/258103014.db2.gz GZFZIKZZXNHKEE-KRWDZBQOSA-N 1 3 346.475 1.397 50 0 EDAAHO O=C(NCCN1CCC[C@@H](CO)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097572283 441141376 /nfs/dbraw/zinc/14/13/76/441141376.db2.gz REIVKDPITMPNLT-GOSISDBHSA-N 1 3 345.487 1.717 50 0 EDAAHO C[C@@H]([NH2+]CC1CCN(CCO)CC1)C(=O)N1CCc2ccccc2C1 ZINC000072267439 441210560 /nfs/dbraw/zinc/21/05/60/441210560.db2.gz BSEWKPIJCKQWID-MRXNPFEDSA-N 1 3 345.487 1.254 50 0 EDAAHO COc1ccc([C@@H](CN2CCN(C)CC2)NC2CC[NH+](C)CC2)cc1 ZINC000095421500 441924884 /nfs/dbraw/zinc/92/48/84/441924884.db2.gz NSCIKMRAESRMMW-HXUWFJFHSA-N 1 3 346.519 1.668 50 0 EDAAHO COc1ccc([C@@H](CN2CCN(C)CC2)[NH2+]C2CCN(C)CC2)cc1 ZINC000095421500 441924893 /nfs/dbraw/zinc/92/48/93/441924893.db2.gz NSCIKMRAESRMMW-HXUWFJFHSA-N 1 3 346.519 1.668 50 0 EDAAHO COCCN(CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000096439894 442131415 /nfs/dbraw/zinc/13/14/15/442131415.db2.gz WWDRTEIMVVVWFF-ZXFUBFMLSA-N 1 3 338.496 1.412 50 0 EDAAHO COCCN(CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000096439894 442131421 /nfs/dbraw/zinc/13/14/21/442131421.db2.gz WWDRTEIMVVVWFF-ZXFUBFMLSA-N 1 3 338.496 1.412 50 0 EDAAHO Cc1ncn(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCN(C)CC2)c1C ZINC000222989826 485802353 /nfs/dbraw/zinc/80/23/53/485802353.db2.gz GSJFRTVEFFXJCF-KRWDZBQOSA-N 1 3 333.480 1.175 50 0 EDAAHO Cc1ncn(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCN(C)CC2)c1C ZINC000222989826 485802361 /nfs/dbraw/zinc/80/23/61/485802361.db2.gz GSJFRTVEFFXJCF-KRWDZBQOSA-N 1 3 333.480 1.175 50 0 EDAAHO CN1CCN2CCN(Cc3ccccc3OCCC[NH+](C)C)C[C@@H]2C1 ZINC000215293952 443055319 /nfs/dbraw/zinc/05/53/19/443055319.db2.gz BPQCBJOIXRNIDE-IBGZPJMESA-N 1 3 346.519 1.449 50 0 EDAAHO CC[C@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CCN1CCOC ZINC000069739231 203043175 /nfs/dbraw/zinc/04/31/75/203043175.db2.gz HZTMICLIZCJDJM-ZWKOTPCHSA-N 1 3 327.513 1.122 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1ccncn1)CC[NH+](C)CC2 ZINC000072453498 203227130 /nfs/dbraw/zinc/22/71/30/203227130.db2.gz ZRPBXOWSQVXEAY-QGZVFWFLSA-N 1 3 345.491 1.631 50 0 EDAAHO COc1cc(C)ccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072424306 203221247 /nfs/dbraw/zinc/22/12/47/203221247.db2.gz DSHUDUWRPNVRNK-DOTOQJQBSA-N 1 3 331.460 1.775 50 0 EDAAHO O=C(C[C@@H]1CNCCO1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000077355560 203382385 /nfs/dbraw/zinc/38/23/85/203382385.db2.gz IHZCSWFSEHLNJA-LJQANCHMSA-N 1 3 343.471 1.414 50 0 EDAAHO O=C(C[C@@H]1CNCCO1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000077355560 203382389 /nfs/dbraw/zinc/38/23/89/203382389.db2.gz IHZCSWFSEHLNJA-LJQANCHMSA-N 1 3 343.471 1.414 50 0 EDAAHO O[C@@]1(CNCCSCc2cccc(Cl)c2)C[NH2+]CCOC1 ZINC000077489232 203391754 /nfs/dbraw/zinc/39/17/54/203391754.db2.gz LULWWIQJXFBJMJ-OAHLLOKOSA-N 1 3 330.881 1.514 50 0 EDAAHO CC[N@H+](C)C[C@@H]1CN(Cc2cc(CN(C)C)cs2)C[C@@H]1CO ZINC000091691135 279037802 /nfs/dbraw/zinc/03/78/02/279037802.db2.gz YEQYJDMCLXPSQX-HZPDHXFCSA-N 1 3 325.522 1.802 50 0 EDAAHO CC[N@@H+](C)C[C@@H]1CN(Cc2cc(CN(C)C)cs2)C[C@@H]1CO ZINC000091691135 279037803 /nfs/dbraw/zinc/03/78/03/279037803.db2.gz YEQYJDMCLXPSQX-HZPDHXFCSA-N 1 3 325.522 1.802 50 0 EDAAHO CCN1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000089977248 441609136 /nfs/dbraw/zinc/60/91/36/441609136.db2.gz FUZYQNMRPPSNRB-GOSISDBHSA-N 1 3 332.492 1.897 50 0 EDAAHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000195548999 443031580 /nfs/dbraw/zinc/03/15/80/443031580.db2.gz YTAFLBJJILSQGS-GXTWGEPZSA-N 1 3 345.534 1.655 50 0 EDAAHO [NH3+][C@H]1CCCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000097698619 219049967 /nfs/dbraw/zinc/04/99/67/219049967.db2.gz OMBDBZJGKOCFSD-SFHVURJKSA-N 1 3 333.476 1.711 50 0 EDAAHO CC[C@H]1CN(C[C@@H](O)C[NH+]2CCC(C)CC2)CCN1CCOC ZINC000229513825 201041202 /nfs/dbraw/zinc/04/12/02/201041202.db2.gz HZTMICLIZCJDJM-ROUUACIJSA-N 1 3 327.513 1.122 50 0 EDAAHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000236994441 204257928 /nfs/dbraw/zinc/25/79/28/204257928.db2.gz GKIHWDMBIJINHB-NVXWUHKLSA-N 1 3 330.476 1.780 50 0 EDAAHO C[N@H+](CCO)C[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091452253 218009001 /nfs/dbraw/zinc/00/90/01/218009001.db2.gz LNSMBAQPMYHRCT-WOJBJXKFSA-N 1 3 328.456 1.804 50 0 EDAAHO C[N@@H+](CCO)C[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091452253 218009004 /nfs/dbraw/zinc/00/90/04/218009004.db2.gz LNSMBAQPMYHRCT-WOJBJXKFSA-N 1 3 328.456 1.804 50 0 EDAAHO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)CN3CCCCCC3)C2)CC1 ZINC000012583639 441136782 /nfs/dbraw/zinc/13/67/82/441136782.db2.gz ZLWPGZQQAYONAZ-QGZVFWFLSA-N 1 3 336.524 1.537 50 0 EDAAHO CN1CCC([N@H+]2CCC[C@@H](NC(=O)CN3CCCCCC3)C2)CC1 ZINC000012583639 441136784 /nfs/dbraw/zinc/13/67/84/441136784.db2.gz ZLWPGZQQAYONAZ-QGZVFWFLSA-N 1 3 336.524 1.537 50 0 EDAAHO O[C@@]1(C[NH+]2CCC(Oc3ncccn3)CC2)CCCN2CCCC[C@@H]21 ZINC000063872356 441360819 /nfs/dbraw/zinc/36/08/19/441360819.db2.gz CKUVSOSMGPALOW-IEBWSBKVSA-N 1 3 346.475 1.699 50 0 EDAAHO CCn1c(CC2CCN(C[C@@H]3CCC[N@H+](CC)C3)CC2)nn(C)c1=O ZINC000065387737 441423271 /nfs/dbraw/zinc/42/32/71/441423271.db2.gz YJWGNUIMDXPLLC-QGZVFWFLSA-N 1 3 349.523 1.588 50 0 EDAAHO CCn1c(CC2CCN(C[C@@H]3CCC[N@@H+](CC)C3)CC2)nn(C)c1=O ZINC000065387737 441423274 /nfs/dbraw/zinc/42/32/74/441423274.db2.gz YJWGNUIMDXPLLC-QGZVFWFLSA-N 1 3 349.523 1.588 50 0 EDAAHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000089840245 441585214 /nfs/dbraw/zinc/58/52/14/441585214.db2.gz FYHKEOUGQMUQBF-ZBFHGGJFSA-N 1 3 338.496 1.520 50 0 EDAAHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccncc3F)CC2)CC1 ZINC000097103420 442168754 /nfs/dbraw/zinc/16/87/54/442168754.db2.gz UTCXJSRQBMRUTQ-UHFFFAOYSA-N 1 3 335.427 1.901 50 0 EDAAHO O[C@@H]1CN(Cc2cccc3ncccc23)CCN(C2CC[NH2+]CC2)C1 ZINC000097785353 219057499 /nfs/dbraw/zinc/05/74/99/219057499.db2.gz OVTHREGCCXRXJB-GOSISDBHSA-N 1 3 340.471 1.465 50 0 EDAAHO CN(C)CCCNc1c(=O)c(=O)c1NCC1([NH+](C)C)CCCCC1 ZINC000101687792 219155842 /nfs/dbraw/zinc/15/58/42/219155842.db2.gz FRNGPIPYGAUBOK-UHFFFAOYSA-N 1 3 336.480 1.323 50 0 EDAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1ncc[nH]1)CC[NH+](C)CC2 ZINC000072469675 216249131 /nfs/dbraw/zinc/24/91/31/216249131.db2.gz RBMRQPKGWLPCPZ-OAHLLOKOSA-N 1 3 333.480 1.564 50 0 EDAAHO CN1CC2(C[C@@H]1C(=O)NCCCNc1cccnc1)CC[NH2+]CC2 ZINC000072476729 216254274 /nfs/dbraw/zinc/25/42/74/216254274.db2.gz RVQPKPIWARRZMA-MRXNPFEDSA-N 1 3 331.464 1.074 50 0 EDAAHO OC[C@]1(O)CCN(Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000216505645 241198993 /nfs/dbraw/zinc/19/89/93/241198993.db2.gz NNCSUKLYYDQIQL-FQEVSTJZSA-N 1 3 348.487 1.871 50 0 EDAAHO CC1=C(C(=O)N2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)OCCO1 ZINC000020295827 212116590 /nfs/dbraw/zinc/11/65/90/212116590.db2.gz HRKQKSMJRLPUHS-HNNXBMFYSA-N 1 3 325.453 1.139 50 0 EDAAHO CC1=C(C(=O)N2CCC[C@H]([N@H+](C)CCCN(C)C)C2)OCCO1 ZINC000020295827 212116592 /nfs/dbraw/zinc/11/65/92/212116592.db2.gz HRKQKSMJRLPUHS-HNNXBMFYSA-N 1 3 325.453 1.139 50 0 EDAAHO NC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071765345 441153593 /nfs/dbraw/zinc/15/35/93/441153593.db2.gz RUDFCJGZPHARKQ-QGZVFWFLSA-N 1 3 327.472 1.816 50 0 EDAAHO CC(C)[N@H+](C)CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000063466465 441331122 /nfs/dbraw/zinc/33/11/22/441331122.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 1 3 346.519 1.822 50 0 EDAAHO CC(C)[N@@H+](C)CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000063466465 441331126 /nfs/dbraw/zinc/33/11/26/441331126.db2.gz WWPPZIPXWMCONF-IBGZPJMESA-N 1 3 346.519 1.822 50 0 EDAAHO C[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000253369286 443051187 /nfs/dbraw/zinc/05/11/87/443051187.db2.gz APOTXYFRFZVBNI-OALUTQOASA-N 1 3 345.487 1.601 50 0 EDAAHO C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000253369286 443051190 /nfs/dbraw/zinc/05/11/90/443051190.db2.gz APOTXYFRFZVBNI-OALUTQOASA-N 1 3 345.487 1.601 50 0 EDAAHO CN(CCN1CCCCCC1)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426541546 447468181 /nfs/dbraw/zinc/46/81/81/447468181.db2.gz RMPDIXNQXRKAGC-KRWDZBQOSA-N 1 3 347.507 1.685 50 0 EDAAHO CCc1ccc(CN2CC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)nc1 ZINC000067965646 215262805 /nfs/dbraw/zinc/26/28/05/215262805.db2.gz JSCWHYDBCHOTIQ-MRXNPFEDSA-N 1 3 330.476 1.854 50 0 EDAAHO COc1ccc([C@H]2NC(=N)NC(=[NH2+])N2c2ccccc2)cc1OC ZINC000003189609 440890180 /nfs/dbraw/zinc/89/01/80/440890180.db2.gz IESWMFRLFQDMQM-HNNXBMFYSA-N 1 3 325.372 1.852 50 0 EDAAHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000299739100 444128719 /nfs/dbraw/zinc/12/87/19/444128719.db2.gz KMSXDSNQHMHWJI-BPQIPLTHSA-N 1 3 346.475 1.177 50 0 EDAAHO Cc1nc(CCNC(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)sc1C ZINC000072409910 216201109 /nfs/dbraw/zinc/20/11/09/216201109.db2.gz AJGOWPKGNHWKIT-CQSZACIVSA-N 1 3 336.505 1.493 50 0 EDAAHO CCn1c(CC2CCN(C[C@H]3CCC[N@H+](CC)C3)CC2)nn(C)c1=O ZINC000065387739 441422840 /nfs/dbraw/zinc/42/28/40/441422840.db2.gz YJWGNUIMDXPLLC-KRWDZBQOSA-N 1 3 349.523 1.588 50 0 EDAAHO CCn1c(CC2CCN(C[C@H]3CCC[N@@H+](CC)C3)CC2)nn(C)c1=O ZINC000065387739 441422846 /nfs/dbraw/zinc/42/28/46/441422846.db2.gz YJWGNUIMDXPLLC-KRWDZBQOSA-N 1 3 349.523 1.588 50 0 EDAAHO CCCc1cc(CNC(=O)[C@@]23CNC[C@@H]2C[N@@H+](C2CCCC2)C3)on1 ZINC000065393674 441423146 /nfs/dbraw/zinc/42/31/46/441423146.db2.gz XXHNXOMBFUNRNT-AUUYWEPGSA-N 1 3 346.475 1.707 50 0 EDAAHO CCCc1cc(CNC(=O)[C@@]23CNC[C@@H]2C[N@H+](C2CCCC2)C3)on1 ZINC000065393674 441423152 /nfs/dbraw/zinc/42/31/52/441423152.db2.gz XXHNXOMBFUNRNT-AUUYWEPGSA-N 1 3 346.475 1.707 50 0 EDAAHO Cc1cc(F)ccc1CN1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091320205 441694933 /nfs/dbraw/zinc/69/49/33/441694933.db2.gz QJBFQQNOANFXAR-RTBURBONSA-N 1 3 349.494 1.812 50 0 EDAAHO Cc1cc(F)ccc1CN1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091320205 441694937 /nfs/dbraw/zinc/69/49/37/441694937.db2.gz QJBFQQNOANFXAR-RTBURBONSA-N 1 3 349.494 1.812 50 0 EDAAHO [NH3+]C1(C(=O)NC[C@H]2CCN(Cc3ccc4nonc4c3)C2)CCCC1 ZINC000067885930 215240958 /nfs/dbraw/zinc/24/09/58/215240958.db2.gz XTMWXKGJIGBWCO-CQSZACIVSA-N 1 3 343.431 1.432 50 0 EDAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1cccnc1)CC[NH+](C)CC2 ZINC000072476284 216254604 /nfs/dbraw/zinc/25/46/04/216254604.db2.gz MJZLOIJOKRFWLJ-SFHVURJKSA-N 1 3 344.503 1.937 50 0 EDAAHO CC(C)C[NH2+]Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000012030537 211281172 /nfs/dbraw/zinc/28/11/72/211281172.db2.gz XGRITQFTUIMCDO-GOSISDBHSA-N 1 3 336.476 1.629 50 0 EDAAHO CC[N@@H+]1CCC[C@@](C)(C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)C1 ZINC000095382122 218314800 /nfs/dbraw/zinc/31/48/00/218314800.db2.gz ITYVPNGNASWUDK-GOSISDBHSA-N 1 3 346.479 1.138 50 0 EDAAHO CC[N@H+]1CCC[C@@](C)(C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)C1 ZINC000095382122 218314803 /nfs/dbraw/zinc/31/48/03/218314803.db2.gz ITYVPNGNASWUDK-GOSISDBHSA-N 1 3 346.479 1.138 50 0 EDAAHO O=C(NCc1nc(-c2ccc(F)cc2)cs1)C12CNCC1C[NH2+]C2 ZINC000065394154 441424464 /nfs/dbraw/zinc/42/44/64/441424464.db2.gz IQYXIGVMJZUXTR-UHFFFAOYSA-N 1 3 346.431 1.374 50 0 EDAAHO C[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000253369285 443050782 /nfs/dbraw/zinc/05/07/82/443050782.db2.gz APOTXYFRFZVBNI-MOPGFXCFSA-N 1 3 345.487 1.601 50 0 EDAAHO C[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000253369285 443050786 /nfs/dbraw/zinc/05/07/86/443050786.db2.gz APOTXYFRFZVBNI-MOPGFXCFSA-N 1 3 345.487 1.601 50 0 EDAAHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000237488254 443173486 /nfs/dbraw/zinc/17/34/86/443173486.db2.gz QXDGXRZLHRBARY-ROUUACIJSA-N 1 3 344.503 1.845 50 0 EDAAHO CN(CCNC(=O)NCC1([NH+](C)C)CCOCC1)Cc1ccccc1 ZINC000072283412 216113212 /nfs/dbraw/zinc/11/32/12/216113212.db2.gz USPKMKCSTPKLDS-UHFFFAOYSA-N 1 3 348.491 1.528 50 0 EDAAHO C[NH+](C)CCCN1CC2(CCN([C@H]3CCCOC3)CC2)OC1=O ZINC000072406873 216198051 /nfs/dbraw/zinc/19/80/51/216198051.db2.gz RRIWSUGPOLZMTN-HNNXBMFYSA-N 1 3 325.453 1.404 50 0 EDAAHO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc3ccccc3n1)CC2 ZINC000091893540 218084794 /nfs/dbraw/zinc/08/47/94/218084794.db2.gz UKKCGEKWNHQZAL-MOPGFXCFSA-N 1 3 341.455 1.926 50 0 EDAAHO O=C(N1CCC(c2nc3ccccc3o2)CC1)C12CNCC1C[NH2+]C2 ZINC000065526228 441450984 /nfs/dbraw/zinc/45/09/84/441450984.db2.gz VGYLJSZBQPOVIC-UHFFFAOYSA-N 1 3 340.427 1.343 50 0 EDAAHO C[N@H+](CCOC[C@@H]1CCCO1)C1CCN(C2CCOCC2)CC1 ZINC000095400875 441921684 /nfs/dbraw/zinc/92/16/84/441921684.db2.gz QJKDFPKACDGZPI-SFHVURJKSA-N 1 3 326.481 1.757 50 0 EDAAHO C[N@@H+](CCOC[C@@H]1CCCO1)C1CCN(C2CCOCC2)CC1 ZINC000095400875 441921691 /nfs/dbraw/zinc/92/16/91/441921691.db2.gz QJKDFPKACDGZPI-SFHVURJKSA-N 1 3 326.481 1.757 50 0 EDAAHO COCC[N@@H+]1CC[C@H](Cn2ccnc2-c2cc3n(n2)CCCNC3)C1 ZINC000072435029 216229213 /nfs/dbraw/zinc/22/92/13/216229213.db2.gz IUIIVKYXPCSOMN-HNNXBMFYSA-N 1 3 344.463 1.208 50 0 EDAAHO COCC[N@H+]1CC[C@H](Cn2ccnc2-c2cc3n(n2)CCCNC3)C1 ZINC000072435029 216229216 /nfs/dbraw/zinc/22/92/16/216229216.db2.gz IUIIVKYXPCSOMN-HNNXBMFYSA-N 1 3 344.463 1.208 50 0 EDAAHO CN1CC2(C[C@H]1C(=O)NCc1ccc3c(c1)CCCO3)CC[NH2+]CC2 ZINC000072474593 216251640 /nfs/dbraw/zinc/25/16/40/216251640.db2.gz MKZABFJMSSEXGO-KRWDZBQOSA-N 1 3 343.471 1.702 50 0 EDAAHO C[NH+](C)CC(C)(C)CNC[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000006790331 441015043 /nfs/dbraw/zinc/01/50/43/441015043.db2.gz TZFHQOJOVUJDOY-OAHLLOKOSA-N 1 3 338.448 1.470 50 0 EDAAHO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2C[C@H](O)CN2CCC(C)CC2)n1 ZINC000069601644 441986876 /nfs/dbraw/zinc/98/68/76/441986876.db2.gz WYDBREHFTYNSRJ-RBUKOAKNSA-N 1 3 349.523 1.842 50 0 EDAAHO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2C[C@H](O)CN2CCC(C)CC2)n1 ZINC000069601644 441986881 /nfs/dbraw/zinc/98/68/81/441986881.db2.gz WYDBREHFTYNSRJ-RBUKOAKNSA-N 1 3 349.523 1.842 50 0 EDAAHO