smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCC[NH+]1CCOCC1)c1cccc(C(=O)NCCC[NH+]2CCOCC2)n1 ZINC000023383149 1068686760 /nfs/dbraw/zinc/68/67/60/1068686760.db2.gz CITXPAZQUMSEED-UHFFFAOYSA-N 2 2 419.526 -0.014 20 0 HBADLP C[NH+](C)CCCNC(=S)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042789651 1070374265 /nfs/dbraw/zinc/37/42/65/1070374265.db2.gz GZVRHMBIDAZALM-UHFFFAOYSA-N 2 2 414.601 -0.051 20 0 HBADLP C[NH+](C)CCNC(=S)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042789654 1070373895 /nfs/dbraw/zinc/37/38/95/1070373895.db2.gz JXDDWMXFNYSTSW-UHFFFAOYSA-N 2 2 400.574 -0.441 20 0 HBADLP CC(C)[NH+](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000043063037 1068223425 /nfs/dbraw/zinc/22/34/25/1068223425.db2.gz JUWLAMZFCJMFEP-UHFFFAOYSA-N 2 2 418.608 -0.075 20 0 HBADLP CC(C)[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000043179149 1069068789 /nfs/dbraw/zinc/06/87/89/1069068789.db2.gz MDAXHCADKRDFRK-UHFFFAOYSA-N 2 2 416.592 -0.321 20 0 HBADLP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138567 1070586113 /nfs/dbraw/zinc/58/61/13/1070586113.db2.gz RMTGMKLTAYTBRA-MRXNPFEDSA-N 2 2 418.633 -0.545 20 0 HBADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138567 1070586100 /nfs/dbraw/zinc/58/61/00/1070586100.db2.gz RMTGMKLTAYTBRA-MRXNPFEDSA-N 2 2 418.633 -0.545 20 0 HBADLP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138569 1070586171 /nfs/dbraw/zinc/58/61/71/1070586171.db2.gz RMTGMKLTAYTBRA-INIZCTEOSA-N 2 2 418.633 -0.545 20 0 HBADLP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138569 1070586159 /nfs/dbraw/zinc/58/61/59/1070586159.db2.gz RMTGMKLTAYTBRA-INIZCTEOSA-N 2 2 418.633 -0.545 20 0 HBADLP O=C(NCCC[NH+]1CCOCC1)c1cncc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000044880530 1069209085 /nfs/dbraw/zinc/20/90/85/1069209085.db2.gz FBUJZKUUQQUFSS-UHFFFAOYSA-N 2 2 419.526 -0.014 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000045572345 1069073512 /nfs/dbraw/zinc/07/35/12/1069073512.db2.gz CWKFCXVHJPVFGT-UHFFFAOYSA-N 2 2 418.546 -0.548 20 0 HBADLP C[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000047885812 1068396312 /nfs/dbraw/zinc/39/63/12/1068396312.db2.gz DHAJQPBDYSVHGZ-UHFFFAOYSA-N 2 2 410.544 -0.073 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000048549317 1068598297 /nfs/dbraw/zinc/59/82/97/1068598297.db2.gz LWINXYJVMCEAPU-UHFFFAOYSA-N 2 2 418.546 -0.502 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000048871106 1068739818 /nfs/dbraw/zinc/73/98/18/1068739818.db2.gz HZHGYOJEMRJRGY-UHFFFAOYSA-N 2 2 403.531 -0.157 20 0 HBADLP Cn1c(=O)c2cc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cnc2n(C)c1=O ZINC000050799440 1069286726 /nfs/dbraw/zinc/28/67/26/1069286726.db2.gz NJLUYFJDKFNFEL-UHFFFAOYSA-N 2 2 414.510 -0.079 20 0 HBADLP Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cnc21 ZINC000050802650 1069286659 /nfs/dbraw/zinc/28/66/59/1069286659.db2.gz ZEUQQAWBKXTYQX-UHFFFAOYSA-N 2 2 400.483 -0.090 20 0 HBADLP Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)c(=O)n2C ZINC000050802842 1069286827 /nfs/dbraw/zinc/28/68/27/1069286827.db2.gz QIXIUJHTBTVVQS-UHFFFAOYSA-N 2 2 417.514 -0.892 20 0 HBADLP CN(C)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000051758797 1069253641 /nfs/dbraw/zinc/25/36/41/1069253641.db2.gz PGUHSWNQLFGNRR-UHFFFAOYSA-N 2 2 416.592 -0.321 20 0 HBADLP C[NH+](C)CC(=O)N1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000051760900 1069253862 /nfs/dbraw/zinc/25/38/62/1069253862.db2.gz LJTNIYADRFWWPX-UHFFFAOYSA-N 2 2 409.575 -0.157 20 0 HBADLP C[NH+](C)CC(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000051762768 1069389203 /nfs/dbraw/zinc/38/92/03/1069389203.db2.gz DLRLPLKUIUNWCG-UHFFFAOYSA-N 2 2 417.554 -0.159 20 0 HBADLP C[N@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000052528482 1069470745 /nfs/dbraw/zinc/47/07/45/1069470745.db2.gz UPPZHUJNXXSUFK-INIZCTEOSA-N 2 2 410.544 -0.073 20 0 HBADLP C[N@@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000052528482 1069470742 /nfs/dbraw/zinc/47/07/42/1069470742.db2.gz UPPZHUJNXXSUFK-INIZCTEOSA-N 2 2 410.544 -0.073 20 0 HBADLP C[N@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000052528484 1069470665 /nfs/dbraw/zinc/47/06/65/1069470665.db2.gz UPPZHUJNXXSUFK-MRXNPFEDSA-N 2 2 410.544 -0.073 20 0 HBADLP C[N@@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000052528484 1069470657 /nfs/dbraw/zinc/47/06/57/1069470657.db2.gz UPPZHUJNXXSUFK-MRXNPFEDSA-N 2 2 410.544 -0.073 20 0 HBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693532 1069486393 /nfs/dbraw/zinc/48/63/93/1069486393.db2.gz OBTANJMSMUOFOB-IAGOWNOFSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693532 1069486388 /nfs/dbraw/zinc/48/63/88/1069486388.db2.gz OBTANJMSMUOFOB-IAGOWNOFSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693532 1069486381 /nfs/dbraw/zinc/48/63/81/1069486381.db2.gz OBTANJMSMUOFOB-IAGOWNOFSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693532 1069486378 /nfs/dbraw/zinc/48/63/78/1069486378.db2.gz OBTANJMSMUOFOB-IAGOWNOFSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693535 1069486439 /nfs/dbraw/zinc/48/64/39/1069486439.db2.gz OBTANJMSMUOFOB-SJORKVTESA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693535 1069486434 /nfs/dbraw/zinc/48/64/34/1069486434.db2.gz OBTANJMSMUOFOB-SJORKVTESA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693535 1069486430 /nfs/dbraw/zinc/48/64/30/1069486430.db2.gz OBTANJMSMUOFOB-SJORKVTESA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000052693535 1069486426 /nfs/dbraw/zinc/48/64/26/1069486426.db2.gz OBTANJMSMUOFOB-SJORKVTESA-N 2 2 404.577 -0.279 20 0 HBADLP CC(=O)NCC1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000052849082 1069496010 /nfs/dbraw/zinc/49/60/10/1069496010.db2.gz QNEUVHUUUZQWMH-UHFFFAOYSA-N 2 2 414.514 -0.140 20 0 HBADLP COCCC[N@@H+](CCOC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000054365559 1071732720 /nfs/dbraw/zinc/73/27/20/1071732720.db2.gz NZPOKROTUGBBIC-UHFFFAOYSA-N 2 2 405.503 -0.003 20 0 HBADLP COCCC[N@H+](CCOC)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000054365559 1071732712 /nfs/dbraw/zinc/73/27/12/1071732712.db2.gz NZPOKROTUGBBIC-UHFFFAOYSA-N 2 2 405.503 -0.003 20 0 HBADLP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000056525010 1069160512 /nfs/dbraw/zinc/16/05/12/1069160512.db2.gz WOMILPMHHLNNMA-GOSISDBHSA-N 2 2 400.589 -0.019 20 0 HBADLP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000056525014 1069160527 /nfs/dbraw/zinc/16/05/27/1069160527.db2.gz WOMILPMHHLNNMA-SFHVURJKSA-N 2 2 400.589 -0.019 20 0 HBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC000109471094 1068284094 /nfs/dbraw/zinc/28/40/94/1068284094.db2.gz LSXDOUSGWWXWMM-QGZVFWFLSA-N 2 2 404.577 -0.185 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC000109471094 1068284077 /nfs/dbraw/zinc/28/40/77/1068284077.db2.gz LSXDOUSGWWXWMM-QGZVFWFLSA-N 2 2 404.577 -0.185 20 0 HBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC000109471097 1068284246 /nfs/dbraw/zinc/28/42/46/1068284246.db2.gz LSXDOUSGWWXWMM-KRWDZBQOSA-N 2 2 404.577 -0.185 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC000109471097 1068284234 /nfs/dbraw/zinc/28/42/34/1068284234.db2.gz LSXDOUSGWWXWMM-KRWDZBQOSA-N 2 2 404.577 -0.185 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000110625548 1070381489 /nfs/dbraw/zinc/38/14/89/1070381489.db2.gz DEYIVDZAJHEBEY-OAHLLOKOSA-N 2 2 414.514 -0.011 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000110625548 1070381472 /nfs/dbraw/zinc/38/14/72/1070381472.db2.gz DEYIVDZAJHEBEY-OAHLLOKOSA-N 2 2 414.514 -0.011 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000110625553 1070381892 /nfs/dbraw/zinc/38/18/92/1070381892.db2.gz DEYIVDZAJHEBEY-HNNXBMFYSA-N 2 2 414.514 -0.011 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000110625553 1070381875 /nfs/dbraw/zinc/38/18/75/1070381875.db2.gz DEYIVDZAJHEBEY-HNNXBMFYSA-N 2 2 414.514 -0.011 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000110732515 1069401975 /nfs/dbraw/zinc/40/19/75/1069401975.db2.gz IDTOBUFUJKNLEX-HNNXBMFYSA-N 2 2 414.514 -0.188 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000110732515 1069401967 /nfs/dbraw/zinc/40/19/67/1069401967.db2.gz IDTOBUFUJKNLEX-HNNXBMFYSA-N 2 2 414.514 -0.188 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000110732517 1069402723 /nfs/dbraw/zinc/40/27/23/1069402723.db2.gz IDTOBUFUJKNLEX-OAHLLOKOSA-N 2 2 414.514 -0.188 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000110732517 1069402719 /nfs/dbraw/zinc/40/27/19/1069402719.db2.gz IDTOBUFUJKNLEX-OAHLLOKOSA-N 2 2 414.514 -0.188 20 0 HBADLP NC(=O)C[C@H]1CCCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000110987235 1071818063 /nfs/dbraw/zinc/81/80/63/1071818063.db2.gz BNTGSBUAYPTKDR-IYBDPMFKSA-N 2 2 402.561 -0.139 20 0 HBADLP NC(=O)C[C@H]1CCCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000110987235 1071818055 /nfs/dbraw/zinc/81/80/55/1071818055.db2.gz BNTGSBUAYPTKDR-IYBDPMFKSA-N 2 2 402.561 -0.139 20 0 HBADLP NC(=O)C[C@H]1CCCC[N@H+]1CCS(=O)(=O)CC[NH+]1CCCC[C@H]1CC(N)=O ZINC000110987235 1071818048 /nfs/dbraw/zinc/81/80/48/1071818048.db2.gz BNTGSBUAYPTKDR-IYBDPMFKSA-N 2 2 402.561 -0.139 20 0 HBADLP NC(=O)C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)CC[NH+]1CCCC[C@H]1CC(N)=O ZINC000110987235 1071818040 /nfs/dbraw/zinc/81/80/40/1071818040.db2.gz BNTGSBUAYPTKDR-IYBDPMFKSA-N 2 2 402.561 -0.139 20 0 HBADLP NC(=O)C[C@H]1CCCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000110987237 1071817833 /nfs/dbraw/zinc/81/78/33/1071817833.db2.gz BNTGSBUAYPTKDR-HZPDHXFCSA-N 2 2 402.561 -0.139 20 0 HBADLP NC(=O)C[C@H]1CCCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000110987237 1071817826 /nfs/dbraw/zinc/81/78/26/1071817826.db2.gz BNTGSBUAYPTKDR-HZPDHXFCSA-N 2 2 402.561 -0.139 20 0 HBADLP O=C(C[NH+]1CCC(C(=O)NCCO)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000138579800 1069966601 /nfs/dbraw/zinc/96/66/01/1069966601.db2.gz MRVYKWDGFSCFCW-UHFFFAOYSA-N 2 2 410.559 -0.042 20 0 HBADLP O=C(C[NH+]1CCC(C(=O)NCCO)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000138586561 1070102258 /nfs/dbraw/zinc/10/22/58/1070102258.db2.gz UUEDOFYDFSYYFC-UHFFFAOYSA-N 2 2 418.538 -0.045 20 0 HBADLP COCCNc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]1 ZINC000302850923 1071297110 /nfs/dbraw/zinc/29/71/10/1071297110.db2.gz IVIIIGQBSACPRJ-WNKDZCFJSA-N 3 2 402.547 -0.075 20 0 HBADLP COCCNc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]1 ZINC000302850923 1071297096 /nfs/dbraw/zinc/29/70/96/1071297096.db2.gz IVIIIGQBSACPRJ-WNKDZCFJSA-N 3 2 402.547 -0.075 20 0 HBADLP COCCNc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[nH+]1 ZINC000302850923 1071297085 /nfs/dbraw/zinc/29/70/85/1071297085.db2.gz IVIIIGQBSACPRJ-WNKDZCFJSA-N 3 2 402.547 -0.075 20 0 HBADLP COCCNc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[nH+]1 ZINC000302850923 1071297078 /nfs/dbraw/zinc/29/70/78/1071297078.db2.gz IVIIIGQBSACPRJ-WNKDZCFJSA-N 3 2 402.547 -0.075 20 0 HBADLP Cn1c(=O)c2ccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)nc2n(C)c1=O ZINC000303069952 1071507298 /nfs/dbraw/zinc/50/72/98/1071507298.db2.gz WXSFXJPJJYNMQT-UHFFFAOYSA-N 2 2 414.510 -0.079 20 0 HBADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000410174194 1071953071 /nfs/dbraw/zinc/95/30/71/1071953071.db2.gz HULBQNUFSVPIGJ-UHFFFAOYSA-N 2 2 420.558 -0.119 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000426187548 1070193326 /nfs/dbraw/zinc/19/33/26/1070193326.db2.gz BVQZPFLMNMYXDX-UHFFFAOYSA-N 2 2 411.528 -0.243 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000426187548 1070193319 /nfs/dbraw/zinc/19/33/19/1070193319.db2.gz BVQZPFLMNMYXDX-UHFFFAOYSA-N 2 2 411.528 -0.243 20 0 HBADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CC[C@H](C(=O)NCCC[NH+]2CCOCC2)O1 ZINC000426576141 1070340913 /nfs/dbraw/zinc/34/09/13/1070340913.db2.gz AOTWQOAOBMYHEF-QZTJIDSGSA-N 2 2 412.531 -0.789 20 0 HBADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCOCC2)O1 ZINC000426576142 1070340737 /nfs/dbraw/zinc/34/07/37/1070340737.db2.gz AOTWQOAOBMYHEF-ROUUACIJSA-N 2 2 412.531 -0.789 20 0 HBADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCSCC2)O1 ZINC000426832616 1070433389 /nfs/dbraw/zinc/43/33/89/1070433389.db2.gz IQCCDYQZWGEYEL-HOTGVXAUSA-N 2 2 416.613 -0.136 20 0 HBADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CC[C@H](C(=O)NCC[NH+]2CCSCC2)O1 ZINC000426832676 1070433450 /nfs/dbraw/zinc/43/34/50/1070433450.db2.gz IQCCDYQZWGEYEL-HZPDHXFCSA-N 2 2 416.613 -0.136 20 0 HBADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCSCC2)O1 ZINC000426832677 1070433305 /nfs/dbraw/zinc/43/33/05/1070433305.db2.gz IQCCDYQZWGEYEL-IYBDPMFKSA-N 2 2 416.613 -0.136 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000427028994 1070454935 /nfs/dbraw/zinc/45/49/35/1070454935.db2.gz HLUMWKMITRLVQX-AWEZNQCLSA-N 2 2 419.482 -0.380 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000427029507 1070455059 /nfs/dbraw/zinc/45/50/59/1070455059.db2.gz POHISWKYFIVWMC-KRWDZBQOSA-N 2 2 403.527 -0.103 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1CCOCC1 ZINC000427116511 1069573531 /nfs/dbraw/zinc/57/35/31/1069573531.db2.gz YHBQWHBFFRWKHN-KRWDZBQOSA-N 2 2 406.531 0.561 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1CCOCC1 ZINC000427116512 1069572045 /nfs/dbraw/zinc/57/20/45/1069572045.db2.gz YHBQWHBFFRWKHN-QGZVFWFLSA-N 2 2 406.531 0.561 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000427222064 1070477842 /nfs/dbraw/zinc/47/78/42/1070477842.db2.gz FPYYIESGSRVUFJ-HNNXBMFYSA-N 2 2 420.514 0.184 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000427222064 1070477831 /nfs/dbraw/zinc/47/78/31/1070477831.db2.gz FPYYIESGSRVUFJ-HNNXBMFYSA-N 2 2 420.514 0.184 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000427222065 1070477748 /nfs/dbraw/zinc/47/77/48/1070477748.db2.gz FPYYIESGSRVUFJ-OAHLLOKOSA-N 2 2 420.514 0.184 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000427222065 1070477738 /nfs/dbraw/zinc/47/77/38/1070477738.db2.gz FPYYIESGSRVUFJ-OAHLLOKOSA-N 2 2 420.514 0.184 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[N@H+]1CCO ZINC000427404491 1070503716 /nfs/dbraw/zinc/50/37/16/1070503716.db2.gz KOUSMRCNCDOLPT-AWEZNQCLSA-N 2 2 419.482 -0.380 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[N@@H+]1CCO ZINC000427404491 1070503705 /nfs/dbraw/zinc/50/37/05/1070503705.db2.gz KOUSMRCNCDOLPT-AWEZNQCLSA-N 2 2 419.482 -0.380 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[N@H+]1CCO ZINC000427404494 1070503827 /nfs/dbraw/zinc/50/38/27/1070503827.db2.gz KOUSMRCNCDOLPT-CQSZACIVSA-N 2 2 419.482 -0.380 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[N@@H+]1CCO ZINC000427404494 1070503814 /nfs/dbraw/zinc/50/38/14/1070503814.db2.gz KOUSMRCNCDOLPT-CQSZACIVSA-N 2 2 419.482 -0.380 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1CCO ZINC000427422226 1070509769 /nfs/dbraw/zinc/50/97/69/1070509769.db2.gz ULBNOSWAWWBRGY-KRWDZBQOSA-N 2 2 403.527 -0.103 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1CCO ZINC000427422226 1070509758 /nfs/dbraw/zinc/50/97/58/1070509758.db2.gz ULBNOSWAWWBRGY-KRWDZBQOSA-N 2 2 403.527 -0.103 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1CCO ZINC000427422228 1070509992 /nfs/dbraw/zinc/50/99/92/1070509992.db2.gz ULBNOSWAWWBRGY-QGZVFWFLSA-N 2 2 403.527 -0.103 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1CCO ZINC000427422228 1070509982 /nfs/dbraw/zinc/50/99/82/1070509982.db2.gz ULBNOSWAWWBRGY-QGZVFWFLSA-N 2 2 403.527 -0.103 20 0 HBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427576411 1070653537 /nfs/dbraw/zinc/65/35/37/1070653537.db2.gz CIROIPJRMWOIKA-HNNXBMFYSA-N 2 2 420.514 0.184 20 0 HBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427576412 1070653644 /nfs/dbraw/zinc/65/36/44/1070653644.db2.gz CIROIPJRMWOIKA-OAHLLOKOSA-N 2 2 420.514 0.184 20 0 HBADLP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000427855804 1070746640 /nfs/dbraw/zinc/74/66/40/1070746640.db2.gz DEXPBTMEXXAYAF-GASCZTMLSA-N 2 2 400.483 -0.572 20 0 HBADLP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000427855804 1070746628 /nfs/dbraw/zinc/74/66/28/1070746628.db2.gz DEXPBTMEXXAYAF-GASCZTMLSA-N 2 2 400.483 -0.572 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CC[NH+](C[C@H](C)O)CC3)C2)CC1 ZINC000428492220 1068991880 /nfs/dbraw/zinc/99/18/80/1068991880.db2.gz AYTDVCJEBGVQGJ-LWYYNNOASA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C(=O)N3CC[NH+](C[C@H](C)O)CC3)C2)CC1 ZINC000428492221 1068992116 /nfs/dbraw/zinc/99/21/16/1068992116.db2.gz AYTDVCJEBGVQGJ-MUGJNUQGSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CC[NH+](C[C@H](C)O)CC3)C2)CC1 ZINC000428492222 1068991985 /nfs/dbraw/zinc/99/19/85/1068991985.db2.gz AYTDVCJEBGVQGJ-VNTMZGSJSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCC(C)(C)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428494989 1069043927 /nfs/dbraw/zinc/04/39/27/1069043927.db2.gz BWZFMXBLNHULAA-ROUUACIJSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428495599 1069025906 /nfs/dbraw/zinc/02/59/06/1069025906.db2.gz OCCCXEWGVGHIDS-VNTMZGSJSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[NH+](C[C@H](C)O)CC3)CC2)CC1 ZINC000428499409 1069068777 /nfs/dbraw/zinc/06/87/77/1069068777.db2.gz HQXVYOWRVKFQMC-MUGJNUQGSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(C)C[C@@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428499846 1069068706 /nfs/dbraw/zinc/06/87/06/1069068706.db2.gz JTBDNTQRZGPJKA-MUGJNUQGSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(C)C[C@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428499847 1069068799 /nfs/dbraw/zinc/06/87/99/1069068799.db2.gz JTBDNTQRZGPJKA-VNTMZGSJSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)C[C@@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428499848 1069068643 /nfs/dbraw/zinc/06/86/43/1069068643.db2.gz JTBDNTQRZGPJKA-VYJAJWGXSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCCCC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428502469 1069072112 /nfs/dbraw/zinc/07/21/12/1069072112.db2.gz IQJBTCKWBSJJDD-OALUTQOASA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CC[C@H](C)CC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428502820 1069071393 /nfs/dbraw/zinc/07/13/93/1069071393.db2.gz KENICTSWEOBDRH-FHWLQOOXSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[NH+](C[C@H](C)O)CC1)CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428502821 1069071474 /nfs/dbraw/zinc/07/14/74/1069071474.db2.gz KENICTSWEOBDRH-QYZOEREBSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)c2)CC1 ZINC000428506216 1069154927 /nfs/dbraw/zinc/15/49/27/1069154927.db2.gz IOQGOTSUTQLXHH-ROUUACIJSA-N 2 2 418.538 -0.036 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CC[NH+](CCO)[C@@H](C)C3)C2)CC[N@H+]1CCO ZINC000428516152 1069157751 /nfs/dbraw/zinc/15/77/51/1069157751.db2.gz IOCQUKPBBQBNTI-FGYAAKKASA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CC[NH+](CCO)[C@@H](C)C3)C2)CC[N@@H+]1CCO ZINC000428516152 1069157747 /nfs/dbraw/zinc/15/77/47/1069157747.db2.gz IOCQUKPBBQBNTI-FGYAAKKASA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)C2)CC[NH+]1CCO ZINC000428516152 1069157744 /nfs/dbraw/zinc/15/77/44/1069157744.db2.gz IOCQUKPBBQBNTI-FGYAAKKASA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)C2)CC[NH+]1CCO ZINC000428516152 1069157741 /nfs/dbraw/zinc/15/77/41/1069157741.db2.gz IOCQUKPBBQBNTI-FGYAAKKASA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CC[NH+](CCO)[C@@H](C)C3)C2)CC[N@H+]1CCO ZINC000428516153 1069157655 /nfs/dbraw/zinc/15/76/55/1069157655.db2.gz IOCQUKPBBQBNTI-IYWMVGAKSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CC[NH+](CCO)[C@@H](C)C3)C2)CC[N@@H+]1CCO ZINC000428516153 1069157651 /nfs/dbraw/zinc/15/76/51/1069157651.db2.gz IOCQUKPBBQBNTI-IYWMVGAKSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)C2)CC[NH+]1CCO ZINC000428516153 1069157648 /nfs/dbraw/zinc/15/76/48/1069157648.db2.gz IOCQUKPBBQBNTI-IYWMVGAKSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)C2)CC[NH+]1CCO ZINC000428516153 1069157632 /nfs/dbraw/zinc/15/76/32/1069157632.db2.gz IOCQUKPBBQBNTI-IYWMVGAKSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)C2)CC[NH+]1CCO ZINC000428516154 1069157574 /nfs/dbraw/zinc/15/75/74/1069157574.db2.gz IOCQUKPBBQBNTI-UAFMIMERSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CC[N@H+](CCO)[C@H](C)C3)C2)CC[NH+]1CCO ZINC000428516154 1069157571 /nfs/dbraw/zinc/15/75/71/1069157571.db2.gz IOCQUKPBBQBNTI-UAFMIMERSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)C2)CC[NH+]1CCO ZINC000428516155 1069158534 /nfs/dbraw/zinc/15/85/34/1069158534.db2.gz IOCQUKPBBQBNTI-WTGUMLROSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(=O)N3CC[N@H+](CCO)[C@H](C)C3)C2)CC[NH+]1CCO ZINC000428516155 1069158531 /nfs/dbraw/zinc/15/85/31/1069158531.db2.gz IOCQUKPBBQBNTI-WTGUMLROSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)C2)CC[NH+]1CCO ZINC000428516155 1069158526 /nfs/dbraw/zinc/15/85/26/1069158526.db2.gz IOCQUKPBBQBNTI-WTGUMLROSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CC[N@H+](CCO)[C@H](C)C3)C2)CC[NH+]1CCO ZINC000428516155 1069158522 /nfs/dbraw/zinc/15/85/22/1069158522.db2.gz IOCQUKPBBQBNTI-WTGUMLROSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)CC2)CC[NH+]1CCO ZINC000428519576 1069161669 /nfs/dbraw/zinc/16/16/69/1069161669.db2.gz CNFFMXNKUKPSPQ-MUGJNUQGSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)CC2)CC[NH+]1CCO ZINC000428519576 1069161663 /nfs/dbraw/zinc/16/16/63/1069161663.db2.gz CNFFMXNKUKPSPQ-MUGJNUQGSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+](CCO)[C@@H](C)C3)CC2)CC[N@H+]1CCO ZINC000428519578 1069161452 /nfs/dbraw/zinc/16/14/52/1069161452.db2.gz CNFFMXNKUKPSPQ-SOIMTFEMSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+](CCO)[C@@H](C)C3)CC2)CC[N@@H+]1CCO ZINC000428519578 1069161448 /nfs/dbraw/zinc/16/14/48/1069161448.db2.gz CNFFMXNKUKPSPQ-SOIMTFEMSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)CC2)CC[NH+]1CCO ZINC000428519578 1069161439 /nfs/dbraw/zinc/16/14/39/1069161439.db2.gz CNFFMXNKUKPSPQ-SOIMTFEMSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)CC2)CC[NH+]1CCO ZINC000428519578 1069161433 /nfs/dbraw/zinc/16/14/33/1069161433.db2.gz CNFFMXNKUKPSPQ-SOIMTFEMSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)CC2)CC[NH+]1CCO ZINC000428519580 1069161783 /nfs/dbraw/zinc/16/17/83/1069161783.db2.gz CNFFMXNKUKPSPQ-UAFMIMERSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[N@H+](CCO)[C@H](C)C3)CC2)CC[NH+]1CCO ZINC000428519580 1069161780 /nfs/dbraw/zinc/16/17/80/1069161780.db2.gz CNFFMXNKUKPSPQ-UAFMIMERSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)CCCCCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000428523709 1069163360 /nfs/dbraw/zinc/16/33/60/1069163360.db2.gz RLUCQULAEPTGFW-KDURUIRLSA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@@H]1CN(C(=O)CCCCCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000428523709 1069163356 /nfs/dbraw/zinc/16/33/56/1069163356.db2.gz RLUCQULAEPTGFW-KDURUIRLSA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@@H]1CN(C(=O)CCCCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428523709 1069163347 /nfs/dbraw/zinc/16/33/47/1069163347.db2.gz RLUCQULAEPTGFW-KDURUIRLSA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@@H]1CN(C(=O)CCCCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428523709 1069163339 /nfs/dbraw/zinc/16/33/39/1069163339.db2.gz RLUCQULAEPTGFW-KDURUIRLSA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@H]1CN(C(=O)CCCCCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428523710 1069163427 /nfs/dbraw/zinc/16/34/27/1069163427.db2.gz RLUCQULAEPTGFW-OALUTQOASA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@H]1CN(C(=O)CCCCCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428523710 1069163424 /nfs/dbraw/zinc/16/34/24/1069163424.db2.gz RLUCQULAEPTGFW-OALUTQOASA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@@H]1CN(C(=O)CCCCCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428523712 1069162950 /nfs/dbraw/zinc/16/29/50/1069162950.db2.gz RLUCQULAEPTGFW-RTBURBONSA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@@H]1CN(C(=O)CCCCCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428523712 1069162945 /nfs/dbraw/zinc/16/29/45/1069162945.db2.gz RLUCQULAEPTGFW-RTBURBONSA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@H](CCC(=O)N1CC[NH+](CCO)[C@@H](C)C1)CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428524848 1069164762 /nfs/dbraw/zinc/16/47/62/1069164762.db2.gz WVHKKNRMNGOEBB-CEXWTWQISA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[NH+](CCO)[C@@H](C)C1)CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428524848 1069164754 /nfs/dbraw/zinc/16/47/54/1069164754.db2.gz WVHKKNRMNGOEBB-CEXWTWQISA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428524848 1069164751 /nfs/dbraw/zinc/16/47/51/1069164751.db2.gz WVHKKNRMNGOEBB-CEXWTWQISA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1)CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428524848 1069164745 /nfs/dbraw/zinc/16/47/45/1069164745.db2.gz WVHKKNRMNGOEBB-CEXWTWQISA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[NH+](CCO)[C@H](C)C1)CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428524849 1069164991 /nfs/dbraw/zinc/16/49/91/1069164991.db2.gz WVHKKNRMNGOEBB-GUDVDZBRSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[NH+](CCO)[C@H](C)C1)CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428524849 1069164987 /nfs/dbraw/zinc/16/49/87/1069164987.db2.gz WVHKKNRMNGOEBB-GUDVDZBRSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1)CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428524849 1069164983 /nfs/dbraw/zinc/16/49/83/1069164983.db2.gz WVHKKNRMNGOEBB-GUDVDZBRSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[N@H+](CCO)[C@H](C)C1)CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428524849 1069164980 /nfs/dbraw/zinc/16/49/80/1069164980.db2.gz WVHKKNRMNGOEBB-GUDVDZBRSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[NH+](CCO)[C@H](C)C1)CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428524850 1069164973 /nfs/dbraw/zinc/16/49/73/1069164973.db2.gz WVHKKNRMNGOEBB-QRVBRYPASA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[NH+](CCO)[C@H](C)C1)CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428524850 1069164966 /nfs/dbraw/zinc/16/49/66/1069164966.db2.gz WVHKKNRMNGOEBB-QRVBRYPASA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1)CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428524850 1069164963 /nfs/dbraw/zinc/16/49/63/1069164963.db2.gz WVHKKNRMNGOEBB-QRVBRYPASA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[N@H+](CCO)[C@H](C)C1)CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428524850 1069164958 /nfs/dbraw/zinc/16/49/58/1069164958.db2.gz WVHKKNRMNGOEBB-QRVBRYPASA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[NH+](CCO)[C@@H](C)C1)CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428524851 1069164828 /nfs/dbraw/zinc/16/48/28/1069164828.db2.gz WVHKKNRMNGOEBB-QYZOEREBSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[NH+](CCO)[C@@H](C)C1)CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428524851 1069164824 /nfs/dbraw/zinc/16/48/24/1069164824.db2.gz WVHKKNRMNGOEBB-QYZOEREBSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428524851 1069164821 /nfs/dbraw/zinc/16/48/21/1069164821.db2.gz WVHKKNRMNGOEBB-QYZOEREBSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H](CCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1)CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428524851 1069164817 /nfs/dbraw/zinc/16/48/17/1069164817.db2.gz WVHKKNRMNGOEBB-QYZOEREBSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)c2)CC[NH+]1CCO ZINC000428528405 1069166722 /nfs/dbraw/zinc/16/67/22/1069166722.db2.gz DLOKWAGVTVOFHK-QZTJIDSGSA-N 2 2 418.538 -0.036 20 0 HBADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)c2)CC[NH+]1CCO ZINC000428528405 1069166717 /nfs/dbraw/zinc/16/67/17/1069166717.db2.gz DLOKWAGVTVOFHK-QZTJIDSGSA-N 2 2 418.538 -0.036 20 0 HBADLP C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)c2)CC[NH+]1CCO ZINC000428528406 1069166592 /nfs/dbraw/zinc/16/65/92/1069166592.db2.gz DLOKWAGVTVOFHK-ROUUACIJSA-N 2 2 418.538 -0.036 20 0 HBADLP C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)c2)CC[NH+]1CCO ZINC000428528406 1069166581 /nfs/dbraw/zinc/16/65/81/1069166581.db2.gz DLOKWAGVTVOFHK-ROUUACIJSA-N 2 2 418.538 -0.036 20 0 HBADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000428533843 1069169004 /nfs/dbraw/zinc/16/90/04/1069169004.db2.gz JANQSTHWJUHYMJ-WAPOTWQKSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000428533843 1069168999 /nfs/dbraw/zinc/16/89/99/1069168999.db2.gz JANQSTHWJUHYMJ-WAPOTWQKSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000428533843 1069168993 /nfs/dbraw/zinc/16/89/93/1069168993.db2.gz JANQSTHWJUHYMJ-WAPOTWQKSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000428533843 1069168987 /nfs/dbraw/zinc/16/89/87/1069168987.db2.gz JANQSTHWJUHYMJ-WAPOTWQKSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@H]1C[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000428533844 1069169090 /nfs/dbraw/zinc/16/90/90/1069169090.db2.gz JANQSTHWJUHYMJ-WPVAHCMFSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@H]1C[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000428533844 1069169085 /nfs/dbraw/zinc/16/90/85/1069169085.db2.gz JANQSTHWJUHYMJ-WPVAHCMFSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@H]1C[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000428533844 1069169079 /nfs/dbraw/zinc/16/90/79/1069169079.db2.gz JANQSTHWJUHYMJ-WPVAHCMFSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@H]1C[C@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000428533844 1069169073 /nfs/dbraw/zinc/16/90/73/1069169073.db2.gz JANQSTHWJUHYMJ-WPVAHCMFSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)[C@@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000428533845 1069168738 /nfs/dbraw/zinc/16/87/38/1069168738.db2.gz JANQSTHWJUHYMJ-YCKXBTPASA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)[C@@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000428533845 1069168736 /nfs/dbraw/zinc/16/87/36/1069168736.db2.gz JANQSTHWJUHYMJ-YCKXBTPASA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000428533845 1069168730 /nfs/dbraw/zinc/16/87/30/1069168730.db2.gz JANQSTHWJUHYMJ-YCKXBTPASA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000428533845 1069168727 /nfs/dbraw/zinc/16/87/27/1069168727.db2.gz JANQSTHWJUHYMJ-YCKXBTPASA-N 2 2 424.586 -0.301 20 0 HBADLP CC1C[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000428533847 1069168919 /nfs/dbraw/zinc/16/89/19/1069168919.db2.gz JANQSTHWJUHYMJ-ZRNYENFQSA-N 2 2 424.586 -0.301 20 0 HBADLP CC1C[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000428533847 1069168913 /nfs/dbraw/zinc/16/89/13/1069168913.db2.gz JANQSTHWJUHYMJ-ZRNYENFQSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H]1CN(C(=O)CCC(C)(C)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536669 1069173507 /nfs/dbraw/zinc/17/35/07/1069173507.db2.gz SEUVANJZCGXVOR-MSOLQXFVSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)CCC(C)(C)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536669 1069173504 /nfs/dbraw/zinc/17/35/04/1069173504.db2.gz SEUVANJZCGXVOR-MSOLQXFVSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)CCC(C)(C)C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000428536669 1069173500 /nfs/dbraw/zinc/17/35/00/1069173500.db2.gz SEUVANJZCGXVOR-MSOLQXFVSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)CCC(C)(C)C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000428536669 1069173497 /nfs/dbraw/zinc/17/34/97/1069173497.db2.gz SEUVANJZCGXVOR-MSOLQXFVSA-N 2 2 412.575 -0.157 20 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HBADLP C[C@H]1CN(C(=O)CCC(C)(C)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536671 1069173344 /nfs/dbraw/zinc/17/33/44/1069173344.db2.gz SEUVANJZCGXVOR-ROUUACIJSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H]1CN(C(=O)C(C)(C)CCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536671 1069173336 /nfs/dbraw/zinc/17/33/36/1069173336.db2.gz SEUVANJZCGXVOR-ROUUACIJSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@H]1CN(C(=O)C(C)(C)CCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536671 1069173332 /nfs/dbraw/zinc/17/33/32/1069173332.db2.gz SEUVANJZCGXVOR-ROUUACIJSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)C(C)(C)CCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000428536672 1069173423 /nfs/dbraw/zinc/17/34/23/1069173423.db2.gz SEUVANJZCGXVOR-ZWKOTPCHSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)C(C)(C)CCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000428536672 1069173419 /nfs/dbraw/zinc/17/34/19/1069173419.db2.gz SEUVANJZCGXVOR-ZWKOTPCHSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)C(C)(C)CCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536672 1069173413 /nfs/dbraw/zinc/17/34/13/1069173413.db2.gz SEUVANJZCGXVOR-ZWKOTPCHSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)C(C)(C)CCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536672 1069173409 /nfs/dbraw/zinc/17/34/09/1069173409.db2.gz SEUVANJZCGXVOR-ZWKOTPCHSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000428545014 1069179625 /nfs/dbraw/zinc/17/96/25/1069179625.db2.gz KZQGGVQSHIVCNS-IYWMVGAKSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000428545014 1069179623 /nfs/dbraw/zinc/17/96/23/1069179623.db2.gz KZQGGVQSHIVCNS-IYWMVGAKSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428545014 1069179622 /nfs/dbraw/zinc/17/96/22/1069179622.db2.gz KZQGGVQSHIVCNS-IYWMVGAKSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428545014 1069179621 /nfs/dbraw/zinc/17/96/21/1069179621.db2.gz KZQGGVQSHIVCNS-IYWMVGAKSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428545015 1069179319 /nfs/dbraw/zinc/17/93/19/1069179319.db2.gz KZQGGVQSHIVCNS-UAFMIMERSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428545015 1069179306 /nfs/dbraw/zinc/17/93/06/1069179306.db2.gz KZQGGVQSHIVCNS-UAFMIMERSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428545016 1069179488 /nfs/dbraw/zinc/17/94/88/1069179488.db2.gz KZQGGVQSHIVCNS-VNTMZGSJSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428545016 1069179480 /nfs/dbraw/zinc/17/94/80/1069179480.db2.gz KZQGGVQSHIVCNS-VNTMZGSJSA-N 2 2 424.586 -0.157 20 0 HBADLP CC(C)NS(=O)(=O)NCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000428556931 1069192546 /nfs/dbraw/zinc/19/25/46/1069192546.db2.gz HRHUAKREQAOIPK-UHFFFAOYSA-N 2 2 404.581 -0.323 20 0 HBADLP CC(C[NH+](C)[C@H]1CCN(S(C)(=O)=O)C1)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428801043 1071321426 /nfs/dbraw/zinc/32/14/26/1071321426.db2.gz HLSKXQCPUNEZBS-HOTGVXAUSA-N 2 2 410.606 -0.446 20 0 HBADLP CC(C[NH+](C)[C@H]1CCN(S(C)(=O)=O)C1)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428801043 1071321412 /nfs/dbraw/zinc/32/14/12/1071321412.db2.gz HLSKXQCPUNEZBS-HOTGVXAUSA-N 2 2 410.606 -0.446 20 0 HBADLP CC(C[NH+](C)[C@@H]1CCN(S(C)(=O)=O)C1)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428801044 1071321552 /nfs/dbraw/zinc/32/15/52/1071321552.db2.gz HLSKXQCPUNEZBS-HZPDHXFCSA-N 2 2 410.606 -0.446 20 0 HBADLP CC(C[NH+](C)[C@@H]1CCN(S(C)(=O)=O)C1)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428801044 1071321544 /nfs/dbraw/zinc/32/15/44/1071321544.db2.gz HLSKXQCPUNEZBS-HZPDHXFCSA-N 2 2 410.606 -0.446 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)n2)CC1 ZINC000429313859 1069580515 /nfs/dbraw/zinc/58/05/15/1069580515.db2.gz VWPRICNIORVGMO-IRXDYDNUSA-N 2 2 419.526 -0.641 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)cc2)CC1 ZINC000429315153 1069580009 /nfs/dbraw/zinc/58/00/09/1069580009.db2.gz XJFUGYHOSWIJHI-ROUUACIJSA-N 2 2 418.538 -0.036 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429325386 1069587998 /nfs/dbraw/zinc/58/79/98/1069587998.db2.gz ALIZECKBEXMAOW-UHFFFAOYSA-N 2 2 416.548 -0.239 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429325386 1069587989 /nfs/dbraw/zinc/58/79/89/1069587989.db2.gz ALIZECKBEXMAOW-UHFFFAOYSA-N 2 2 416.548 -0.239 20 0 HBADLP C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2)CC[NH+]1CCO ZINC000429668026 1070284802 /nfs/dbraw/zinc/28/48/02/1070284802.db2.gz NJYYHFJJYPLYAC-QZTJIDSGSA-N 2 2 418.538 -0.036 20 0 HBADLP C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2)CC[NH+]1CCO ZINC000429668026 1070284798 /nfs/dbraw/zinc/28/47/98/1070284798.db2.gz NJYYHFJJYPLYAC-QZTJIDSGSA-N 2 2 418.538 -0.036 20 0 HBADLP C[C@H]1CN(C(=O)c2ccc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)CC[NH+]1CCO ZINC000429668027 1070284691 /nfs/dbraw/zinc/28/46/91/1070284691.db2.gz NJYYHFJJYPLYAC-ROUUACIJSA-N 2 2 418.538 -0.036 20 0 HBADLP C[C@H]1CN(C(=O)c2ccc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)CC[NH+]1CCO ZINC000429668027 1070284683 /nfs/dbraw/zinc/28/46/83/1070284683.db2.gz NJYYHFJJYPLYAC-ROUUACIJSA-N 2 2 418.538 -0.036 20 0 HBADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000429672364 1070665016 /nfs/dbraw/zinc/66/50/16/1070665016.db2.gz DDJBVYUQYLWFAR-UHFFFAOYSA-N 2 2 403.531 -0.401 20 0 HBADLP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000429933064 1069442908 /nfs/dbraw/zinc/44/29/08/1069442908.db2.gz ZLNZETZDEPDTPO-UHFFFAOYSA-N 2 2 402.499 -0.038 20 0 HBADLP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000429933064 1069442904 /nfs/dbraw/zinc/44/29/04/1069442904.db2.gz ZLNZETZDEPDTPO-UHFFFAOYSA-N 2 2 402.499 -0.038 20 0 HBADLP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000430252863 1068260541 /nfs/dbraw/zinc/26/05/41/1068260541.db2.gz CRULGMVPISBGMS-IBGZPJMESA-N 2 2 400.487 -0.530 20 0 HBADLP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000430252863 1068260532 /nfs/dbraw/zinc/26/05/32/1068260532.db2.gz CRULGMVPISBGMS-IBGZPJMESA-N 2 2 400.487 -0.530 20 0 HBADLP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000430252864 1068260380 /nfs/dbraw/zinc/26/03/80/1068260380.db2.gz CRULGMVPISBGMS-LJQANCHMSA-N 2 2 400.487 -0.530 20 0 HBADLP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000430252864 1068260351 /nfs/dbraw/zinc/26/03/51/1068260351.db2.gz CRULGMVPISBGMS-LJQANCHMSA-N 2 2 400.487 -0.530 20 0 HBADLP O=C(CN1CCN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1)N1CCOCC1 ZINC000430823853 1069247786 /nfs/dbraw/zinc/24/77/86/1069247786.db2.gz PBKCPXQUHDTJKA-UHFFFAOYSA-N 2 2 404.515 -0.408 20 0 HBADLP O=C(CN1CCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1)N1CCOCC1 ZINC000430828819 1069247902 /nfs/dbraw/zinc/24/79/02/1069247902.db2.gz CJLAPAMQYXHCIX-UHFFFAOYSA-N 2 2 404.515 -0.477 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)CC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594519 1069260638 /nfs/dbraw/zinc/26/06/38/1069260638.db2.gz GFIBLLLAFCUBRH-HRCADAONSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)CC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594519 1069260625 /nfs/dbraw/zinc/26/06/25/1069260625.db2.gz GFIBLLLAFCUBRH-HRCADAONSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1[C@@H](C)CC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594519 1069260615 /nfs/dbraw/zinc/26/06/15/1069260615.db2.gz GFIBLLLAFCUBRH-HRCADAONSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1[C@@H](C)CC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594519 1069260603 /nfs/dbraw/zinc/26/06/03/1069260603.db2.gz GFIBLLLAFCUBRH-HRCADAONSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CC[C@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594521 1069260696 /nfs/dbraw/zinc/26/06/96/1069260696.db2.gz GFIBLLLAFCUBRH-JYJNAYRXSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CC[C@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594521 1069260688 /nfs/dbraw/zinc/26/06/88/1069260688.db2.gz GFIBLLLAFCUBRH-JYJNAYRXSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@@H](C)CC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594521 1069260682 /nfs/dbraw/zinc/26/06/82/1069260682.db2.gz GFIBLLLAFCUBRH-JYJNAYRXSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@@H](C)CC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594521 1069260676 /nfs/dbraw/zinc/26/06/76/1069260676.db2.gz GFIBLLLAFCUBRH-JYJNAYRXSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)CC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594522 1069260781 /nfs/dbraw/zinc/26/07/81/1069260781.db2.gz GFIBLLLAFCUBRH-OWCLPIDISA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)CC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594522 1069260775 /nfs/dbraw/zinc/26/07/75/1069260775.db2.gz GFIBLLLAFCUBRH-OWCLPIDISA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1[C@H](C)CC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594522 1069260770 /nfs/dbraw/zinc/26/07/70/1069260770.db2.gz GFIBLLLAFCUBRH-OWCLPIDISA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1[C@H](C)CC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594522 1069260763 /nfs/dbraw/zinc/26/07/63/1069260763.db2.gz GFIBLLLAFCUBRH-OWCLPIDISA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CC[C@@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594523 1069260440 /nfs/dbraw/zinc/26/04/40/1069260440.db2.gz GFIBLLLAFCUBRH-PMPSAXMXSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CC[C@@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594523 1069260428 /nfs/dbraw/zinc/26/04/28/1069260428.db2.gz GFIBLLLAFCUBRH-PMPSAXMXSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@H](C)CC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594523 1069260414 /nfs/dbraw/zinc/26/04/14/1069260414.db2.gz GFIBLLLAFCUBRH-PMPSAXMXSA-N 2 2 410.606 -0.208 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1[C@H](C)CC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000431594523 1069260391 /nfs/dbraw/zinc/26/03/91/1069260391.db2.gz GFIBLLLAFCUBRH-PMPSAXMXSA-N 2 2 410.606 -0.208 20 0 HBADLP O=C(CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)NCC[NH+]1CCCCCC1 ZINC000432958789 1069392227 /nfs/dbraw/zinc/39/22/27/1069392227.db2.gz FFYWRKBJYXKPCH-UHFFFAOYSA-N 2 2 421.546 0.329 20 0 HBADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000433640895 1069509356 /nfs/dbraw/zinc/50/93/56/1069509356.db2.gz WPTPDXGYAVBNAE-KRWDZBQOSA-N 2 2 422.530 -0.229 20 0 HBADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000433640895 1069509354 /nfs/dbraw/zinc/50/93/54/1069509354.db2.gz WPTPDXGYAVBNAE-KRWDZBQOSA-N 2 2 422.530 -0.229 20 0 HBADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000433640896 1069509391 /nfs/dbraw/zinc/50/93/91/1069509391.db2.gz WPTPDXGYAVBNAE-QGZVFWFLSA-N 2 2 422.530 -0.229 20 0 HBADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCO1 ZINC000433640896 1069509390 /nfs/dbraw/zinc/50/93/90/1069509390.db2.gz WPTPDXGYAVBNAE-QGZVFWFLSA-N 2 2 422.530 -0.229 20 0 HBADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCO1 ZINC000433640954 1069509402 /nfs/dbraw/zinc/50/94/02/1069509402.db2.gz XFDJAFPITUHRSV-KRWDZBQOSA-N 2 2 422.530 -0.229 20 0 HBADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCO1 ZINC000433640954 1069509399 /nfs/dbraw/zinc/50/93/99/1069509399.db2.gz XFDJAFPITUHRSV-KRWDZBQOSA-N 2 2 422.530 -0.229 20 0 HBADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCO1 ZINC000433640955 1069509480 /nfs/dbraw/zinc/50/94/80/1069509480.db2.gz XFDJAFPITUHRSV-QGZVFWFLSA-N 2 2 422.530 -0.229 20 0 HBADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCO1 ZINC000433640955 1069509474 /nfs/dbraw/zinc/50/94/74/1069509474.db2.gz XFDJAFPITUHRSV-QGZVFWFLSA-N 2 2 422.530 -0.229 20 0 HBADLP O=C(CC1(CC(=O)N2CC[NH+](CCO)CC2)CCCCC1)N1CC[NH+](CCO)CC1 ZINC000433829704 1069524263 /nfs/dbraw/zinc/52/42/63/1069524263.db2.gz TZNPDKJUJWQUGW-UHFFFAOYSA-N 2 2 424.586 -0.010 20 0 HBADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000434559392 1069792677 /nfs/dbraw/zinc/79/26/77/1069792677.db2.gz WHCIDWDSBHKBJO-KRWDZBQOSA-N 2 2 404.515 0.287 20 0 HBADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000434559392 1069792663 /nfs/dbraw/zinc/79/26/63/1069792663.db2.gz WHCIDWDSBHKBJO-KRWDZBQOSA-N 2 2 404.515 0.287 20 0 HBADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000434559394 1069792853 /nfs/dbraw/zinc/79/28/53/1069792853.db2.gz WHCIDWDSBHKBJO-QGZVFWFLSA-N 2 2 404.515 0.287 20 0 HBADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000434559394 1069792848 /nfs/dbraw/zinc/79/28/48/1069792848.db2.gz WHCIDWDSBHKBJO-QGZVFWFLSA-N 2 2 404.515 0.287 20 0 HBADLP COC[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCCO1 ZINC000434781101 1069827750 /nfs/dbraw/zinc/82/77/50/1069827750.db2.gz APMRUEFOVPFHFX-CVEARBPZSA-N 2 2 403.487 -0.205 20 0 HBADLP COC[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCCO1 ZINC000434781102 1069827920 /nfs/dbraw/zinc/82/79/20/1069827920.db2.gz APMRUEFOVPFHFX-HOTGVXAUSA-N 2 2 403.487 -0.205 20 0 HBADLP COC[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCCO1 ZINC000434781103 1069827363 /nfs/dbraw/zinc/82/73/63/1069827363.db2.gz APMRUEFOVPFHFX-HZPDHXFCSA-N 2 2 403.487 -0.205 20 0 HBADLP COC[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCCO1 ZINC000434781104 1069827605 /nfs/dbraw/zinc/82/76/05/1069827605.db2.gz APMRUEFOVPFHFX-JKSUJKDBSA-N 2 2 403.487 -0.205 20 0 HBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)n2)c1C ZINC000435093888 1069871849 /nfs/dbraw/zinc/87/18/49/1069871849.db2.gz HJZFLRFNGJQIQL-UHFFFAOYSA-N 2 2 401.471 0.449 20 0 HBADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)n2)c1C ZINC000435093888 1069871844 /nfs/dbraw/zinc/87/18/44/1069871844.db2.gz HJZFLRFNGJQIQL-UHFFFAOYSA-N 2 2 401.471 0.449 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000435510025 1069914810 /nfs/dbraw/zinc/91/48/10/1069914810.db2.gz FROMCHVRKDKAJC-IBGZPJMESA-N 2 2 421.542 -0.188 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000435510026 1069914993 /nfs/dbraw/zinc/91/49/93/1069914993.db2.gz FROMCHVRKDKAJC-LJQANCHMSA-N 2 2 421.542 -0.188 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000435515250 1069917519 /nfs/dbraw/zinc/91/75/19/1069917519.db2.gz OTCMQWLTFXAETE-FQEVSTJZSA-N 3 2 420.558 -0.072 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000435515251 1069917201 /nfs/dbraw/zinc/91/72/01/1069917201.db2.gz OTCMQWLTFXAETE-HXUWFJFHSA-N 3 2 420.558 -0.072 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000435574914 1069919866 /nfs/dbraw/zinc/91/98/66/1069919866.db2.gz BJZCQOUIDMFAPK-GOSISDBHSA-N 2 2 406.531 -0.332 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000435574915 1069919767 /nfs/dbraw/zinc/91/97/67/1069919767.db2.gz BJZCQOUIDMFAPK-SFHVURJKSA-N 2 2 406.531 -0.332 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000435576188 1069922478 /nfs/dbraw/zinc/92/24/78/1069922478.db2.gz GBEPGIMZUNRJCT-GOSISDBHSA-N 2 2 421.546 -0.677 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000435576193 1069922701 /nfs/dbraw/zinc/92/27/01/1069922701.db2.gz GBEPGIMZUNRJCT-SFHVURJKSA-N 2 2 421.546 -0.677 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000435585365 1069921756 /nfs/dbraw/zinc/92/17/56/1069921756.db2.gz TXXMTDPIBJGRBJ-GOSISDBHSA-N 2 2 406.531 -0.332 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000435585366 1069921855 /nfs/dbraw/zinc/92/18/55/1069921855.db2.gz TXXMTDPIBJGRBJ-SFHVURJKSA-N 2 2 406.531 -0.332 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000435620848 1069924946 /nfs/dbraw/zinc/92/49/46/1069924946.db2.gz GOPADDICBJFQPU-GOSISDBHSA-N 2 2 406.531 -0.332 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000435620849 1069925234 /nfs/dbraw/zinc/92/52/34/1069925234.db2.gz GOPADDICBJFQPU-SFHVURJKSA-N 2 2 406.531 -0.332 20 0 HBADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000436967377 1070019961 /nfs/dbraw/zinc/01/99/61/1070019961.db2.gz PBVNUBKWZSOPFE-NVXWUHKLSA-N 2 2 404.515 0.410 20 0 HBADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000437247577 1070042756 /nfs/dbraw/zinc/04/27/56/1070042756.db2.gz PVRKWCWOSHMAER-UHFFFAOYSA-N 2 2 406.531 0.487 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000437424995 1070060621 /nfs/dbraw/zinc/06/06/21/1070060621.db2.gz HSIIZXPURJJUKV-UHFFFAOYSA-N 2 2 405.499 -0.026 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000437424995 1070060608 /nfs/dbraw/zinc/06/06/08/1070060608.db2.gz HSIIZXPURJJUKV-UHFFFAOYSA-N 2 2 405.499 -0.026 20 0 HBADLP COc1ncc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1C(N)=O ZINC000437437598 1070062351 /nfs/dbraw/zinc/06/23/51/1070062351.db2.gz GYCGMIUPCGHXDM-UHFFFAOYSA-N 2 2 406.487 -0.388 20 0 HBADLP COc1ncc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1C(N)=O ZINC000437437598 1070062337 /nfs/dbraw/zinc/06/23/37/1070062337.db2.gz GYCGMIUPCGHXDM-UHFFFAOYSA-N 2 2 406.487 -0.388 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000437438392 1070062464 /nfs/dbraw/zinc/06/24/64/1070062464.db2.gz IIRSRHXSKHVTDQ-UHFFFAOYSA-N 2 2 411.528 -0.243 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000437438392 1070062447 /nfs/dbraw/zinc/06/24/47/1070062447.db2.gz IIRSRHXSKHVTDQ-UHFFFAOYSA-N 2 2 411.528 -0.243 20 0 HBADLP COc1ncnc(N(C)C)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437454935 1070063024 /nfs/dbraw/zinc/06/30/24/1070063024.db2.gz RNIXCKIVHIRFDL-UHFFFAOYSA-N 2 2 407.519 -0.026 20 0 HBADLP COc1ncnc(N(C)C)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437454935 1070063009 /nfs/dbraw/zinc/06/30/09/1070063009.db2.gz RNIXCKIVHIRFDL-UHFFFAOYSA-N 2 2 407.519 -0.026 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000437465618 1070064235 /nfs/dbraw/zinc/06/42/35/1070064235.db2.gz DZXDMTHPIITODR-UHFFFAOYSA-N 2 2 405.499 -0.026 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000437465618 1070064217 /nfs/dbraw/zinc/06/42/17/1070064217.db2.gz DZXDMTHPIITODR-UHFFFAOYSA-N 2 2 405.499 -0.026 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000437469300 1070064657 /nfs/dbraw/zinc/06/46/57/1070064657.db2.gz ROAHRKHBLDANSR-UHFFFAOYSA-N 2 2 411.528 -0.092 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000437469300 1070064645 /nfs/dbraw/zinc/06/46/45/1070064645.db2.gz ROAHRKHBLDANSR-UHFFFAOYSA-N 2 2 411.528 -0.092 20 0 HBADLP CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437481244 1069626742 /nfs/dbraw/zinc/62/67/42/1069626742.db2.gz XCXQWIGHZDUBRA-UHFFFAOYSA-N 2 2 408.503 0.020 20 0 HBADLP CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437481244 1069626733 /nfs/dbraw/zinc/62/67/33/1069626733.db2.gz XCXQWIGHZDUBRA-UHFFFAOYSA-N 2 2 408.503 0.020 20 0 HBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000437745114 1070079134 /nfs/dbraw/zinc/07/91/34/1070079134.db2.gz KRFCWIDKXBOZGJ-MANSERQUSA-N 2 2 408.543 -0.123 20 0 HBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000437745115 1070079394 /nfs/dbraw/zinc/07/93/94/1070079394.db2.gz KRFCWIDKXBOZGJ-MKXGPGLRSA-N 2 2 408.543 -0.123 20 0 HBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000437745116 1070079268 /nfs/dbraw/zinc/07/92/68/1070079268.db2.gz KRFCWIDKXBOZGJ-NCXUSEDFSA-N 2 2 408.543 -0.123 20 0 HBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000437745117 1070079031 /nfs/dbraw/zinc/07/90/31/1070079031.db2.gz KRFCWIDKXBOZGJ-WJFTUGDTSA-N 2 2 408.543 -0.123 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000438311995 1069550742 /nfs/dbraw/zinc/55/07/42/1069550742.db2.gz NLRSLBAXNCJNNC-UHFFFAOYSA-N 2 2 421.546 0.232 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000438311995 1069550727 /nfs/dbraw/zinc/55/07/27/1069550727.db2.gz NLRSLBAXNCJNNC-UHFFFAOYSA-N 2 2 421.546 0.232 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438320463 1070128426 /nfs/dbraw/zinc/12/84/26/1070128426.db2.gz JNHPJOUAEXICPS-KRWDZBQOSA-N 2 2 421.546 0.280 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438320463 1070128419 /nfs/dbraw/zinc/12/84/19/1070128419.db2.gz JNHPJOUAEXICPS-KRWDZBQOSA-N 2 2 421.546 0.280 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438320466 1070128732 /nfs/dbraw/zinc/12/87/32/1070128732.db2.gz JNHPJOUAEXICPS-QGZVFWFLSA-N 2 2 421.546 0.280 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438320466 1070128728 /nfs/dbraw/zinc/12/87/28/1070128728.db2.gz JNHPJOUAEXICPS-QGZVFWFLSA-N 2 2 421.546 0.280 20 0 HBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438325332 1070129321 /nfs/dbraw/zinc/12/93/21/1070129321.db2.gz GPJJNPRBILEUGG-UHFFFAOYSA-N 2 2 421.546 0.233 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438326933 1070130398 /nfs/dbraw/zinc/13/03/98/1070130398.db2.gz QDUHXLDGBGZWNP-INIZCTEOSA-N 2 2 407.519 -0.076 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438326933 1070130391 /nfs/dbraw/zinc/13/03/91/1070130391.db2.gz QDUHXLDGBGZWNP-INIZCTEOSA-N 2 2 407.519 -0.076 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438326937 1070130377 /nfs/dbraw/zinc/13/03/77/1070130377.db2.gz QDUHXLDGBGZWNP-MRXNPFEDSA-N 2 2 407.519 -0.076 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438326937 1070130372 /nfs/dbraw/zinc/13/03/72/1070130372.db2.gz QDUHXLDGBGZWNP-MRXNPFEDSA-N 2 2 407.519 -0.076 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438329744 1070126828 /nfs/dbraw/zinc/12/68/28/1070126828.db2.gz HLQPBMNASDCNJG-UHFFFAOYSA-N 2 2 407.519 -0.111 20 0 HBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)CC1 ZINC000438330023 1069616358 /nfs/dbraw/zinc/61/63/58/1069616358.db2.gz IJTCPGSQJZNPRF-GOSISDBHSA-N 2 2 405.547 0.459 20 0 HBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)CC1 ZINC000438330024 1069616391 /nfs/dbraw/zinc/61/63/91/1069616391.db2.gz IJTCPGSQJZNPRF-SFHVURJKSA-N 2 2 405.547 0.459 20 0 HBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438332867 1070127487 /nfs/dbraw/zinc/12/74/87/1070127487.db2.gz SGPBFFMNVDXJCQ-UHFFFAOYSA-N 2 2 419.530 -0.013 20 0 HBADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438433807 1070142189 /nfs/dbraw/zinc/14/21/89/1070142189.db2.gz GLVMFWPFSIWJFR-UHFFFAOYSA-N 2 2 403.487 0.207 20 0 HBADLP O=C(NCC[NH+]1CCCOCC1)[C@H]1CC[C@@H](C(=O)NCC[N@H+]2CCCOCC2)O1 ZINC000438669768 1070164087 /nfs/dbraw/zinc/16/40/87/1070164087.db2.gz BGPDHSSPYHXRJU-HDICACEKSA-N 2 2 412.531 -0.789 20 0 HBADLP O=C(NCC[NH+]1CCCOCC1)[C@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)O1 ZINC000438669768 1070164083 /nfs/dbraw/zinc/16/40/83/1070164083.db2.gz BGPDHSSPYHXRJU-HDICACEKSA-N 2 2 412.531 -0.789 20 0 HBADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCCOCC2)O1 ZINC000438669768 1070164079 /nfs/dbraw/zinc/16/40/79/1070164079.db2.gz BGPDHSSPYHXRJU-HDICACEKSA-N 2 2 412.531 -0.789 20 0 HBADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCCOCC2)O1 ZINC000438669768 1070164071 /nfs/dbraw/zinc/16/40/71/1070164071.db2.gz BGPDHSSPYHXRJU-HDICACEKSA-N 2 2 412.531 -0.789 20 0 HBADLP O=C(CSCC(=O)NCC[N@H+]1CCCOCC1)NCC[NH+]1CCCOCC1 ZINC000438679608 1070168326 /nfs/dbraw/zinc/16/83/26/1070168326.db2.gz MIUPPKMVBQMTON-UHFFFAOYSA-N 2 2 402.561 -0.603 20 0 HBADLP O=C(CSCC(=O)NCC[N@@H+]1CCCOCC1)NCC[NH+]1CCCOCC1 ZINC000438679608 1070168319 /nfs/dbraw/zinc/16/83/19/1070168319.db2.gz MIUPPKMVBQMTON-UHFFFAOYSA-N 2 2 402.561 -0.603 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000438726767 1070175698 /nfs/dbraw/zinc/17/56/98/1070175698.db2.gz VSYXXXAERWEJOT-KRWDZBQOSA-N 2 2 404.515 0.241 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000438726768 1069607478 /nfs/dbraw/zinc/60/74/78/1069607478.db2.gz VSYXXXAERWEJOT-QGZVFWFLSA-N 2 2 404.515 0.241 20 0 HBADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438779443 1070183276 /nfs/dbraw/zinc/18/32/76/1070183276.db2.gz FVGCXEXKVQUODO-INIZCTEOSA-N 2 2 406.531 0.343 20 0 HBADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438779444 1070183193 /nfs/dbraw/zinc/18/31/93/1070183193.db2.gz FVGCXEXKVQUODO-MRXNPFEDSA-N 2 2 406.531 0.343 20 0 HBADLP O=C(NCC[NH+]1CCCOCC1)c1cccc(C(=O)NCC[N@H+]2CCCOCC2)n1 ZINC000438820600 1069328793 /nfs/dbraw/zinc/32/87/93/1069328793.db2.gz ANWGMSCSHRAYDW-UHFFFAOYSA-N 2 2 419.526 -0.014 20 0 HBADLP O=C(NCC[NH+]1CCCOCC1)c1cccc(C(=O)NCC[N@@H+]2CCCOCC2)n1 ZINC000438820600 1069328780 /nfs/dbraw/zinc/32/87/80/1069328780.db2.gz ANWGMSCSHRAYDW-UHFFFAOYSA-N 2 2 419.526 -0.014 20 0 HBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439215697 1070247759 /nfs/dbraw/zinc/24/77/59/1070247759.db2.gz PWIOYAWTCOPOOI-UHFFFAOYSA-N 2 2 402.499 -0.038 20 0 HBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439358328 1070265906 /nfs/dbraw/zinc/26/59/06/1070265906.db2.gz WWTAAEFNMMMMFG-HNNXBMFYSA-N 2 2 402.499 -0.040 20 0 HBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439358328 1070265884 /nfs/dbraw/zinc/26/58/84/1070265884.db2.gz WWTAAEFNMMMMFG-HNNXBMFYSA-N 2 2 402.499 -0.040 20 0 HBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439358331 1070265999 /nfs/dbraw/zinc/26/59/99/1070265999.db2.gz WWTAAEFNMMMMFG-OAHLLOKOSA-N 2 2 402.499 -0.040 20 0 HBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439358331 1070265987 /nfs/dbraw/zinc/26/59/87/1070265987.db2.gz WWTAAEFNMMMMFG-OAHLLOKOSA-N 2 2 402.499 -0.040 20 0 HBADLP CN(C(=O)C(=O)Nc1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000439385081 1070267868 /nfs/dbraw/zinc/26/78/68/1070267868.db2.gz IESMDCVKPLISRY-UHFFFAOYSA-N 2 2 402.499 -0.283 20 0 HBADLP Cc1noc(C)c1NC(=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000439390368 1070268354 /nfs/dbraw/zinc/26/83/54/1070268354.db2.gz YNFVNBMJQROGFI-UHFFFAOYSA-N 2 2 420.514 -0.073 20 0 HBADLP CN(C(=O)C(=O)Nc1cncc(F)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000439832701 1070307709 /nfs/dbraw/zinc/30/77/09/1070307709.db2.gz RZBDRYNLTGUJFR-UHFFFAOYSA-N 2 2 420.489 -0.144 20 0 HBADLP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000440402689 1070376809 /nfs/dbraw/zinc/37/68/09/1070376809.db2.gz HLNDEJYLXGEGQW-UHFFFAOYSA-N 2 2 412.560 -0.426 20 0 HBADLP COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000440545330 1070532263 /nfs/dbraw/zinc/53/22/63/1070532263.db2.gz CRVNCXWTBFONND-IBGZPJMESA-N 2 2 419.486 -0.430 20 0 HBADLP COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000440545331 1070532401 /nfs/dbraw/zinc/53/24/01/1070532401.db2.gz CRVNCXWTBFONND-LJQANCHMSA-N 2 2 419.486 -0.430 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+]C2(C(N)=O)CCCCC2)CC1 ZINC000440555509 1070535153 /nfs/dbraw/zinc/53/51/53/1070535153.db2.gz RKYSAROVIMJGRO-UHFFFAOYSA-N 2 2 400.487 -0.210 20 0 HBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698330 1069346347 /nfs/dbraw/zinc/34/63/47/1069346347.db2.gz WLKJCUOMDLXBQR-MOPGFXCFSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698330 1069346332 /nfs/dbraw/zinc/34/63/32/1069346332.db2.gz WLKJCUOMDLXBQR-MOPGFXCFSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698330 1069346320 /nfs/dbraw/zinc/34/63/20/1069346320.db2.gz WLKJCUOMDLXBQR-MOPGFXCFSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698330 1069346310 /nfs/dbraw/zinc/34/63/10/1069346310.db2.gz WLKJCUOMDLXBQR-MOPGFXCFSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698337 1069346244 /nfs/dbraw/zinc/34/62/44/1069346244.db2.gz WLKJCUOMDLXBQR-OALUTQOASA-N 2 2 409.575 -0.349 20 0 HBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698337 1069346229 /nfs/dbraw/zinc/34/62/29/1069346229.db2.gz WLKJCUOMDLXBQR-OALUTQOASA-N 2 2 409.575 -0.349 20 0 HBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698337 1069346216 /nfs/dbraw/zinc/34/62/16/1069346216.db2.gz WLKJCUOMDLXBQR-OALUTQOASA-N 2 2 409.575 -0.349 20 0 HBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698337 1069346206 /nfs/dbraw/zinc/34/62/06/1069346206.db2.gz WLKJCUOMDLXBQR-OALUTQOASA-N 2 2 409.575 -0.349 20 0 HBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698338 1069345813 /nfs/dbraw/zinc/34/58/13/1069345813.db2.gz WLKJCUOMDLXBQR-RBUKOAKNSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698338 1069345798 /nfs/dbraw/zinc/34/57/98/1069345798.db2.gz WLKJCUOMDLXBQR-RBUKOAKNSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698338 1069345786 /nfs/dbraw/zinc/34/57/86/1069345786.db2.gz WLKJCUOMDLXBQR-RBUKOAKNSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@@H](C)C1 ZINC000440698338 1069345774 /nfs/dbraw/zinc/34/57/74/1069345774.db2.gz WLKJCUOMDLXBQR-RBUKOAKNSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698630 1069345900 /nfs/dbraw/zinc/34/59/00/1069345900.db2.gz WLKJCUOMDLXBQR-RTBURBONSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698630 1069345887 /nfs/dbraw/zinc/34/58/87/1069345887.db2.gz WLKJCUOMDLXBQR-RTBURBONSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698630 1069345877 /nfs/dbraw/zinc/34/58/77/1069345877.db2.gz WLKJCUOMDLXBQR-RTBURBONSA-N 2 2 409.575 -0.349 20 0 HBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)[C@H](C)C1 ZINC000440698630 1069345868 /nfs/dbraw/zinc/34/58/68/1069345868.db2.gz WLKJCUOMDLXBQR-RTBURBONSA-N 2 2 409.575 -0.349 20 0 HBADLP O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1)N1CCOCC1 ZINC000440748721 1069348290 /nfs/dbraw/zinc/34/82/90/1069348290.db2.gz FEJFPWOPULIRHI-KRWDZBQOSA-N 2 2 404.515 -0.408 20 0 HBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1)N1CCOCC1 ZINC000440748721 1069348278 /nfs/dbraw/zinc/34/82/78/1069348278.db2.gz FEJFPWOPULIRHI-KRWDZBQOSA-N 2 2 404.515 -0.408 20 0 HBADLP O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1)N1CCOCC1 ZINC000440748723 1069348204 /nfs/dbraw/zinc/34/82/04/1069348204.db2.gz FEJFPWOPULIRHI-QGZVFWFLSA-N 2 2 404.515 -0.408 20 0 HBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1)N1CCOCC1 ZINC000440748723 1069348193 /nfs/dbraw/zinc/34/81/93/1069348193.db2.gz FEJFPWOPULIRHI-QGZVFWFLSA-N 2 2 404.515 -0.408 20 0 HBADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000440955223 1070565991 /nfs/dbraw/zinc/56/59/91/1070565991.db2.gz JMKOYWAYUZANAI-UHFFFAOYSA-N 2 2 404.515 0.241 20 0 HBADLP O=C(CN1CCN(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1)N1CCOCC1 ZINC000440963902 1068268057 /nfs/dbraw/zinc/26/80/57/1068268057.db2.gz XIGPSBRHNYZBSS-UHFFFAOYSA-N 2 2 404.515 -0.408 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000440977790 1070568123 /nfs/dbraw/zinc/56/81/23/1070568123.db2.gz BWXTYUDVHOFIPY-KRWDZBQOSA-N 2 2 408.499 -0.283 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000440977792 1070567731 /nfs/dbraw/zinc/56/77/31/1070567731.db2.gz BWXTYUDVHOFIPY-QGZVFWFLSA-N 2 2 408.499 -0.283 20 0 HBADLP C[N@H+]1CCN(CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1(C)C ZINC000440978145 1070567999 /nfs/dbraw/zinc/56/79/99/1070567999.db2.gz JVOKPRRJRGEMKR-UHFFFAOYSA-N 2 2 404.563 -0.076 20 0 HBADLP C[N@@H+]1CCN(CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1(C)C ZINC000440978145 1070567981 /nfs/dbraw/zinc/56/79/81/1070567981.db2.gz JVOKPRRJRGEMKR-UHFFFAOYSA-N 2 2 404.563 -0.076 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000440990016 1070568625 /nfs/dbraw/zinc/56/86/25/1070568625.db2.gz MGHBBYPMBWMRMG-KRWDZBQOSA-N 2 2 408.499 -0.283 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000440990022 1070568977 /nfs/dbraw/zinc/56/89/77/1070568977.db2.gz MGHBBYPMBWMRMG-QGZVFWFLSA-N 2 2 408.499 -0.283 20 0 HBADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000441023049 1069617440 /nfs/dbraw/zinc/61/74/40/1069617440.db2.gz CTCQGANWGBAWDM-DLBZAZTESA-N 2 2 406.531 0.343 20 0 HBADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000441023049 1069617433 /nfs/dbraw/zinc/61/74/33/1069617433.db2.gz CTCQGANWGBAWDM-DLBZAZTESA-N 2 2 406.531 0.343 20 0 HBADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000441023051 1070575998 /nfs/dbraw/zinc/57/59/98/1070575998.db2.gz CTCQGANWGBAWDM-IAGOWNOFSA-N 2 2 406.531 0.343 20 0 HBADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000441023051 1070575984 /nfs/dbraw/zinc/57/59/84/1070575984.db2.gz CTCQGANWGBAWDM-IAGOWNOFSA-N 2 2 406.531 0.343 20 0 HBADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000441023053 1070575671 /nfs/dbraw/zinc/57/56/71/1070575671.db2.gz CTCQGANWGBAWDM-IRXDYDNUSA-N 2 2 406.531 0.343 20 0 HBADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1 ZINC000441023053 1070575658 /nfs/dbraw/zinc/57/56/58/1070575658.db2.gz CTCQGANWGBAWDM-IRXDYDNUSA-N 2 2 406.531 0.343 20 0 HBADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000441023055 1070575898 /nfs/dbraw/zinc/57/58/98/1070575898.db2.gz CTCQGANWGBAWDM-SJORKVTESA-N 2 2 406.531 0.343 20 0 HBADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000441023055 1070575892 /nfs/dbraw/zinc/57/58/92/1070575892.db2.gz CTCQGANWGBAWDM-SJORKVTESA-N 2 2 406.531 0.343 20 0 HBADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)CC1 ZINC000441023700 1070576390 /nfs/dbraw/zinc/57/63/90/1070576390.db2.gz FYMCQRKZUFNKSS-UHFFFAOYSA-N 2 2 422.618 -0.291 20 0 HBADLP C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000441291291 1070596312 /nfs/dbraw/zinc/59/63/12/1070596312.db2.gz RCLXJDXJQUXSKD-CVEARBPZSA-N 2 2 414.576 -0.569 20 0 HBADLP C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000441291291 1070596297 /nfs/dbraw/zinc/59/62/97/1070596297.db2.gz RCLXJDXJQUXSKD-CVEARBPZSA-N 2 2 414.576 -0.569 20 0 HBADLP C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000441291293 1070595947 /nfs/dbraw/zinc/59/59/47/1070595947.db2.gz RCLXJDXJQUXSKD-HOTGVXAUSA-N 2 2 414.576 -0.569 20 0 HBADLP C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000441291293 1070595937 /nfs/dbraw/zinc/59/59/37/1070595937.db2.gz RCLXJDXJQUXSKD-HOTGVXAUSA-N 2 2 414.576 -0.569 20 0 HBADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000441291295 1070596174 /nfs/dbraw/zinc/59/61/74/1070596174.db2.gz RCLXJDXJQUXSKD-HZPDHXFCSA-N 2 2 414.576 -0.569 20 0 HBADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000441291295 1070596162 /nfs/dbraw/zinc/59/61/62/1070596162.db2.gz RCLXJDXJQUXSKD-HZPDHXFCSA-N 2 2 414.576 -0.569 20 0 HBADLP C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000441291297 1070596088 /nfs/dbraw/zinc/59/60/88/1070596088.db2.gz RCLXJDXJQUXSKD-JKSUJKDBSA-N 2 2 414.576 -0.569 20 0 HBADLP C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000441291297 1070596076 /nfs/dbraw/zinc/59/60/76/1070596076.db2.gz RCLXJDXJQUXSKD-JKSUJKDBSA-N 2 2 414.576 -0.569 20 0 HBADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000441511893 1070666372 /nfs/dbraw/zinc/66/63/72/1070666372.db2.gz LKLPNLWXWSDTGI-DLBZAZTESA-N 2 2 404.515 0.097 20 0 HBADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000441511893 1070666364 /nfs/dbraw/zinc/66/63/64/1070666364.db2.gz LKLPNLWXWSDTGI-DLBZAZTESA-N 2 2 404.515 0.097 20 0 HBADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000441511895 1070666610 /nfs/dbraw/zinc/66/66/10/1070666610.db2.gz LKLPNLWXWSDTGI-IAGOWNOFSA-N 2 2 404.515 0.097 20 0 HBADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000441511895 1070666601 /nfs/dbraw/zinc/66/66/01/1070666601.db2.gz LKLPNLWXWSDTGI-IAGOWNOFSA-N 2 2 404.515 0.097 20 0 HBADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000441511899 1070666417 /nfs/dbraw/zinc/66/64/17/1070666417.db2.gz LKLPNLWXWSDTGI-IRXDYDNUSA-N 2 2 404.515 0.097 20 0 HBADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000441511899 1070666402 /nfs/dbraw/zinc/66/64/02/1070666402.db2.gz LKLPNLWXWSDTGI-IRXDYDNUSA-N 2 2 404.515 0.097 20 0 HBADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000441511901 1070666581 /nfs/dbraw/zinc/66/65/81/1070666581.db2.gz LKLPNLWXWSDTGI-SJORKVTESA-N 2 2 404.515 0.097 20 0 HBADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000441511901 1070666576 /nfs/dbraw/zinc/66/65/76/1070666576.db2.gz LKLPNLWXWSDTGI-SJORKVTESA-N 2 2 404.515 0.097 20 0 HBADLP C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000441778215 1069543820 /nfs/dbraw/zinc/54/38/20/1069543820.db2.gz RHPIZAUNJCBXEU-UHFFFAOYSA-N 2 2 406.531 0.390 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000441837396 1070786071 /nfs/dbraw/zinc/78/60/71/1070786071.db2.gz WOPWHFVDDAHWJW-UHFFFAOYSA-N 2 2 419.526 -0.016 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000441843649 1070785386 /nfs/dbraw/zinc/78/53/86/1070785386.db2.gz WHZCMIOTDANXEQ-UHFFFAOYSA-N 2 2 419.526 -0.016 20 0 HBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c2)CC1 ZINC000441866674 1070789895 /nfs/dbraw/zinc/78/98/95/1070789895.db2.gz SAVFUWCXZRZDRE-UHFFFAOYSA-N 2 2 419.526 -0.016 20 0 HBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000441912571 1070795915 /nfs/dbraw/zinc/79/59/15/1070795915.db2.gz UJIHWSQSWIYJMU-UHFFFAOYSA-N 2 2 402.499 -0.040 20 0 HBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000441912571 1070795907 /nfs/dbraw/zinc/79/59/07/1070795907.db2.gz UJIHWSQSWIYJMU-UHFFFAOYSA-N 2 2 402.499 -0.040 20 0 HBADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441994855 1070818151 /nfs/dbraw/zinc/81/81/51/1070818151.db2.gz BQPKHRHDAQWFRB-SJORKVTESA-N 2 2 404.515 0.239 20 0 HBADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441994855 1070818124 /nfs/dbraw/zinc/81/81/24/1070818124.db2.gz BQPKHRHDAQWFRB-SJORKVTESA-N 2 2 404.515 0.239 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000441995660 1070803384 /nfs/dbraw/zinc/80/33/84/1070803384.db2.gz FPUFVILLCYROEZ-GOSISDBHSA-N 2 2 417.510 -0.150 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000441995660 1070803364 /nfs/dbraw/zinc/80/33/64/1070803364.db2.gz FPUFVILLCYROEZ-GOSISDBHSA-N 2 2 417.510 -0.150 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000441995663 1070803787 /nfs/dbraw/zinc/80/37/87/1070803787.db2.gz FPUFVILLCYROEZ-SFHVURJKSA-N 2 2 417.510 -0.150 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000441995663 1070803760 /nfs/dbraw/zinc/80/37/60/1070803760.db2.gz FPUFVILLCYROEZ-SFHVURJKSA-N 2 2 417.510 -0.150 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000442089015 1070858435 /nfs/dbraw/zinc/85/84/35/1070858435.db2.gz XEPXCJHHOVTFJE-AWEZNQCLSA-N 2 2 400.439 0.302 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000442089015 1070858409 /nfs/dbraw/zinc/85/84/09/1070858409.db2.gz XEPXCJHHOVTFJE-AWEZNQCLSA-N 2 2 400.439 0.302 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000442089018 1070858543 /nfs/dbraw/zinc/85/85/43/1070858543.db2.gz XEPXCJHHOVTFJE-CQSZACIVSA-N 2 2 400.439 0.302 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000442089018 1070858520 /nfs/dbraw/zinc/85/85/20/1070858520.db2.gz XEPXCJHHOVTFJE-CQSZACIVSA-N 2 2 400.439 0.302 20 0 HBADLP C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCSCC1 ZINC000442647070 1070929748 /nfs/dbraw/zinc/92/97/48/1070929748.db2.gz KRIIKRWZXXWKBE-HNNXBMFYSA-N 2 2 405.590 -0.940 20 0 HBADLP C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCSCC1 ZINC000442647071 1070929984 /nfs/dbraw/zinc/92/99/84/1070929984.db2.gz KRIIKRWZXXWKBE-OAHLLOKOSA-N 2 2 405.590 -0.940 20 0 HBADLP O=S(=O)(CCCS(=O)(=O)NCC[N@@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000443214474 1070981741 /nfs/dbraw/zinc/98/17/41/1070981741.db2.gz UPFLLQSONDIPHC-UHFFFAOYSA-N 2 2 420.601 -0.261 20 0 HBADLP O=S(=O)(CCCS(=O)(=O)NCC[N@H+]1CC=CCC1)NCC[NH+]1CC=CCC1 ZINC000443214474 1070981732 /nfs/dbraw/zinc/98/17/32/1070981732.db2.gz UPFLLQSONDIPHC-UHFFFAOYSA-N 2 2 420.601 -0.261 20 0 HBADLP C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000443235129 1070985962 /nfs/dbraw/zinc/98/59/62/1070985962.db2.gz INOOSONNEHAHHL-INIZCTEOSA-N 2 2 418.608 -0.218 20 0 HBADLP C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000443235133 1070986185 /nfs/dbraw/zinc/98/61/85/1070986185.db2.gz INOOSONNEHAHHL-MRXNPFEDSA-N 2 2 418.608 -0.218 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(CCS(N)(=O)=O)CC3)CC2)CC1 ZINC000443435739 1071017850 /nfs/dbraw/zinc/01/78/50/1071017850.db2.gz YTCBWAUFHWRSHP-UHFFFAOYSA-N 2 2 416.592 -0.839 20 0 HBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443811480 1071175403 /nfs/dbraw/zinc/17/54/03/1071175403.db2.gz PAHBJUFZOJPPJK-MOPGFXCFSA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443811481 1071175314 /nfs/dbraw/zinc/17/53/14/1071175314.db2.gz PAHBJUFZOJPPJK-OALUTQOASA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443811482 1071175240 /nfs/dbraw/zinc/17/52/40/1071175240.db2.gz PAHBJUFZOJPPJK-RBUKOAKNSA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443811483 1071175348 /nfs/dbraw/zinc/17/53/48/1071175348.db2.gz PAHBJUFZOJPPJK-RTBURBONSA-N 2 2 408.543 -0.120 20 0 HBADLP CCOC1CC(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)([NH+]2CCOCC2)C1 ZINC000444170778 1071225478 /nfs/dbraw/zinc/22/54/78/1071225478.db2.gz UYMJQROGSUPPQY-GNZRSQJKSA-N 2 2 411.547 -0.105 20 0 HBADLP CCOC1CC(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)([NH+]2CCOCC2)C1 ZINC000444170778 1071225463 /nfs/dbraw/zinc/22/54/63/1071225463.db2.gz UYMJQROGSUPPQY-GNZRSQJKSA-N 2 2 411.547 -0.105 20 0 HBADLP CCOC1CC(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)([NH+]2CCOCC2)C1 ZINC000444170779 1071225257 /nfs/dbraw/zinc/22/52/57/1071225257.db2.gz UYMJQROGSUPPQY-OHTSDLOESA-N 2 2 411.547 -0.105 20 0 HBADLP CCOC1CC(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)([NH+]2CCOCC2)C1 ZINC000444170779 1071225246 /nfs/dbraw/zinc/22/52/46/1071225246.db2.gz UYMJQROGSUPPQY-OHTSDLOESA-N 2 2 411.547 -0.105 20 0 HBADLP C[C@@H](CC(=O)N[C@H](C)CN1CC[NH+](C)CC1)CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000444174367 1071226308 /nfs/dbraw/zinc/22/63/08/1071226308.db2.gz GDGYAONIAUTICW-ACDBMABISA-N 2 2 424.634 -0.093 20 0 HBADLP CC(CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000444174368 1071226012 /nfs/dbraw/zinc/22/60/12/1071226012.db2.gz GDGYAONIAUTICW-PMACEKPBSA-N 2 2 424.634 -0.093 20 0 HBADLP CC(CC(=O)N[C@H](C)CN1CC[NH+](C)CC1)CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000444174369 1071226274 /nfs/dbraw/zinc/22/62/74/1071226274.db2.gz GDGYAONIAUTICW-WOJBJXKFSA-N 2 2 424.634 -0.093 20 0 HBADLP C[C@H]1CCCN(C(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000444174586 1071226250 /nfs/dbraw/zinc/22/62/50/1071226250.db2.gz HSVPMFGAHPYBIA-KRWDZBQOSA-N 2 2 407.559 -0.058 20 0 HBADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000444174587 1071226104 /nfs/dbraw/zinc/22/61/04/1071226104.db2.gz HSVPMFGAHPYBIA-QGZVFWFLSA-N 2 2 407.559 -0.058 20 0 HBADLP CC1CCN(C(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000444177824 1071226158 /nfs/dbraw/zinc/22/61/58/1071226158.db2.gz UAWNCOIHACZQLF-UHFFFAOYSA-N 2 2 407.559 -0.058 20 0 HBADLP C[C@H](CNC(=O)C[C@@H](C)CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000444268086 1071242264 /nfs/dbraw/zinc/24/22/64/1071242264.db2.gz VIUWROAJXCAZSE-OWZKRDHZSA-N 2 2 424.634 -0.093 20 0 HBADLP CC(CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000444268088 1071242319 /nfs/dbraw/zinc/24/23/19/1071242319.db2.gz VIUWROAJXCAZSE-PMACEKPBSA-N 2 2 424.634 -0.093 20 0 HBADLP CC(CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000444268090 1071242448 /nfs/dbraw/zinc/24/24/48/1071242448.db2.gz VIUWROAJXCAZSE-WOJBJXKFSA-N 2 2 424.634 -0.093 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2)CC1 ZINC000444379470 1071298364 /nfs/dbraw/zinc/29/83/64/1071298364.db2.gz AYTDVCJEBGVQGJ-UAFMIMERSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2)CC1 ZINC000444379471 1071298623 /nfs/dbraw/zinc/29/86/23/1071298623.db2.gz AYTDVCJEBGVQGJ-WTGUMLROSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2)CC1 ZINC000444379472 1071298821 /nfs/dbraw/zinc/29/88/21/1071298821.db2.gz AYTDVCJEBGVQGJ-ZRNYENFQSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCC(C)(C)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444380033 1071299508 /nfs/dbraw/zinc/29/95/08/1071299508.db2.gz BWZFMXBLNHULAA-QZTJIDSGSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444380113 1071298427 /nfs/dbraw/zinc/29/84/27/1071298427.db2.gz DGHUOKDJYAZZKM-MKXGPGLRSA-N 2 2 410.559 -0.547 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444380114 1071298516 /nfs/dbraw/zinc/29/85/16/1071298516.db2.gz DGHUOKDJYAZZKM-NCXUSEDFSA-N 2 2 410.559 -0.547 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444380115 1071298671 /nfs/dbraw/zinc/29/86/71/1071298671.db2.gz DGHUOKDJYAZZKM-YRXWBPOGSA-N 2 2 410.559 -0.547 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C2CCC(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CC2)CC1 ZINC000444381324 1071299461 /nfs/dbraw/zinc/29/94/61/1071299461.db2.gz HQXVYOWRVKFQMC-UVHRUJRTSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCCCCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444381740 1071299343 /nfs/dbraw/zinc/29/93/43/1071299343.db2.gz IQJBTCKWBSJJDD-RTBURBONSA-N 2 2 412.575 -0.013 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444382507 1071300311 /nfs/dbraw/zinc/30/03/11/1071300311.db2.gz OCCCXEWGVGHIDS-UAFMIMERSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)c2)CC1 ZINC000444383293 1071303067 /nfs/dbraw/zinc/30/30/67/1071303067.db2.gz IOQGOTSUTQLXHH-QZTJIDSGSA-N 2 2 418.538 -0.036 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CC[C@@H](C)CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444383802 1071302824 /nfs/dbraw/zinc/30/28/24/1071302824.db2.gz KENICTSWEOBDRH-GUDVDZBRSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CC[C@H](C)CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444383804 1071302932 /nfs/dbraw/zinc/30/29/32/1071302932.db2.gz KENICTSWEOBDRH-IPMKNSEASA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CC2)CC1 ZINC000444388926 1071300910 /nfs/dbraw/zinc/30/09/10/1071300910.db2.gz HQXVYOWRVKFQMC-UAFMIMERSA-N 2 2 424.586 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(C)C[C@H]2C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444391488 1071300997 /nfs/dbraw/zinc/30/09/97/1071300997.db2.gz JTBDNTQRZGPJKA-UAFMIMERSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)C[C@@H]2C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444391489 1071300897 /nfs/dbraw/zinc/30/08/97/1071300897.db2.gz JTBDNTQRZGPJKA-WAPOTWQKSA-N 2 2 424.586 -0.301 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(C)C[C@@H]2C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444391490 1071300875 /nfs/dbraw/zinc/30/08/75/1071300875.db2.gz JTBDNTQRZGPJKA-ZRNYENFQSA-N 2 2 424.586 -0.301 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)CC2(O)CCOCC2)CC1 ZINC000444753375 1071351049 /nfs/dbraw/zinc/35/10/49/1071351049.db2.gz YWGFGGDZOIDMER-UHFFFAOYSA-N 2 2 403.487 -0.515 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)CC2(O)CCOCC2)CC1 ZINC000444753375 1071351042 /nfs/dbraw/zinc/35/10/42/1071351042.db2.gz YWGFGGDZOIDMER-UHFFFAOYSA-N 2 2 403.487 -0.515 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](CCO)C2CCOCC2)CC1 ZINC000444775307 1071352906 /nfs/dbraw/zinc/35/29/06/1071352906.db2.gz HIBJRECYAISXJH-UHFFFAOYSA-N 2 2 403.487 -0.515 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](CCO)C2CCOCC2)CC1 ZINC000444775307 1071352896 /nfs/dbraw/zinc/35/28/96/1071352896.db2.gz HIBJRECYAISXJH-UHFFFAOYSA-N 2 2 403.487 -0.515 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)n2)CC1 ZINC000444786808 1071353049 /nfs/dbraw/zinc/35/30/49/1071353049.db2.gz VWPRICNIORVGMO-IAGOWNOFSA-N 2 2 419.526 -0.641 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)cc2)CC1 ZINC000444795146 1071353691 /nfs/dbraw/zinc/35/36/91/1071353691.db2.gz XJFUGYHOSWIJHI-QZTJIDSGSA-N 2 2 418.538 -0.036 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)CC1 ZINC000445034075 1071364049 /nfs/dbraw/zinc/36/40/49/1071364049.db2.gz NUNXPPPIGZQALT-KRWDZBQOSA-N 2 2 405.499 -0.672 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)CC1 ZINC000445034076 1071363925 /nfs/dbraw/zinc/36/39/25/1071363925.db2.gz NUNXPPPIGZQALT-QGZVFWFLSA-N 2 2 405.499 -0.672 20 0 HBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2)CC1 ZINC000445034476 1071364311 /nfs/dbraw/zinc/36/43/11/1071364311.db2.gz ONFIPPSSWSCVIW-GOSISDBHSA-N 2 2 405.499 -0.672 20 0 HBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c2)CC1 ZINC000445034477 1071364000 /nfs/dbraw/zinc/36/40/00/1071364000.db2.gz ONFIPPSSWSCVIW-SFHVURJKSA-N 2 2 405.499 -0.672 20 0 HBADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445082386 1071368843 /nfs/dbraw/zinc/36/88/43/1071368843.db2.gz NHYJNFBPFGACOL-UHFFFAOYSA-N 2 2 419.526 -0.016 20 0 HBADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445082386 1071368828 /nfs/dbraw/zinc/36/88/28/1071368828.db2.gz NHYJNFBPFGACOL-UHFFFAOYSA-N 2 2 419.526 -0.016 20 0 HBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)CC1 ZINC000445103632 1071372531 /nfs/dbraw/zinc/37/25/31/1071372531.db2.gz BROSTQJBYRZLIN-NRFANRHFSA-N 2 2 417.510 -0.528 20 0 HBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)CC1 ZINC000445103632 1071372513 /nfs/dbraw/zinc/37/25/13/1071372513.db2.gz BROSTQJBYRZLIN-NRFANRHFSA-N 2 2 417.510 -0.528 20 0 HBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)CC1 ZINC000445103633 1071372386 /nfs/dbraw/zinc/37/23/86/1071372386.db2.gz BROSTQJBYRZLIN-OAQYLSRUSA-N 2 2 417.510 -0.528 20 0 HBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)CC1 ZINC000445103633 1071372376 /nfs/dbraw/zinc/37/23/76/1071372376.db2.gz BROSTQJBYRZLIN-OAQYLSRUSA-N 2 2 417.510 -0.528 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000445118152 1071377035 /nfs/dbraw/zinc/37/70/35/1071377035.db2.gz PYGIRTBEOQHZGF-NRFANRHFSA-N 2 2 417.510 -0.528 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000445118152 1071377020 /nfs/dbraw/zinc/37/70/20/1071377020.db2.gz PYGIRTBEOQHZGF-NRFANRHFSA-N 2 2 417.510 -0.528 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000445118153 1071377158 /nfs/dbraw/zinc/37/71/58/1071377158.db2.gz PYGIRTBEOQHZGF-OAQYLSRUSA-N 2 2 417.510 -0.528 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000445118153 1071377143 /nfs/dbraw/zinc/37/71/43/1071377143.db2.gz PYGIRTBEOQHZGF-OAQYLSRUSA-N 2 2 417.510 -0.528 20 0 HBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c2)CC1 ZINC000445122385 1071377755 /nfs/dbraw/zinc/37/77/55/1071377755.db2.gz POBLRKWMLFBCDE-NRFANRHFSA-N 2 2 419.526 -0.282 20 0 HBADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c2)CC1 ZINC000445122386 1071377874 /nfs/dbraw/zinc/37/78/74/1071377874.db2.gz POBLRKWMLFBCDE-OAQYLSRUSA-N 2 2 419.526 -0.282 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000445125590 1071374620 /nfs/dbraw/zinc/37/46/20/1071374620.db2.gz XRJVAXOKZKPDRP-NRFANRHFSA-N 2 2 419.526 -0.282 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000445125591 1071375369 /nfs/dbraw/zinc/37/53/69/1071375369.db2.gz XRJVAXOKZKPDRP-OAQYLSRUSA-N 2 2 419.526 -0.282 20 0 HBADLP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445128641 1071379075 /nfs/dbraw/zinc/37/90/75/1071379075.db2.gz FUTQGTLOUVGSQC-UHFFFAOYSA-N 2 2 419.526 -0.280 20 0 HBADLP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445128641 1071379062 /nfs/dbraw/zinc/37/90/62/1071379062.db2.gz FUTQGTLOUVGSQC-UHFFFAOYSA-N 2 2 419.526 -0.280 20 0 HBADLP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445135278 1071379906 /nfs/dbraw/zinc/37/99/06/1071379906.db2.gz MMYHSXCBNOVKCE-UHFFFAOYSA-N 2 2 419.526 -0.280 20 0 HBADLP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445135278 1071379894 /nfs/dbraw/zinc/37/98/94/1071379894.db2.gz MMYHSXCBNOVKCE-UHFFFAOYSA-N 2 2 419.526 -0.280 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000445162701 1071382444 /nfs/dbraw/zinc/38/24/44/1071382444.db2.gz HLUMWKMITRLVQX-CQSZACIVSA-N 2 2 419.482 -0.380 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000445166888 1071383783 /nfs/dbraw/zinc/38/37/83/1071383783.db2.gz POHISWKYFIVWMC-QGZVFWFLSA-N 2 2 403.527 -0.103 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000445765355 1071433840 /nfs/dbraw/zinc/43/38/40/1071433840.db2.gz LTTFMMHUVVXZDB-DZGCQCFKSA-N 2 2 400.487 -0.354 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000445765356 1071433734 /nfs/dbraw/zinc/43/37/34/1071433734.db2.gz LTTFMMHUVVXZDB-HIFRSBDPSA-N 2 2 400.487 -0.354 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000445765357 1071433558 /nfs/dbraw/zinc/43/35/58/1071433558.db2.gz LTTFMMHUVVXZDB-UKRRQHHQSA-N 2 2 400.487 -0.354 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000445765358 1071433827 /nfs/dbraw/zinc/43/38/27/1071433827.db2.gz LTTFMMHUVVXZDB-ZFWWWQNUSA-N 2 2 400.487 -0.354 20 0 HBADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000445995136 1071451559 /nfs/dbraw/zinc/45/15/59/1071451559.db2.gz YBXBBSDEVCTSCO-AWEZNQCLSA-N 2 2 400.549 -0.429 20 0 HBADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000445995136 1071451551 /nfs/dbraw/zinc/45/15/51/1071451551.db2.gz YBXBBSDEVCTSCO-AWEZNQCLSA-N 2 2 400.549 -0.429 20 0 HBADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000445995138 1071451602 /nfs/dbraw/zinc/45/16/02/1071451602.db2.gz YBXBBSDEVCTSCO-CQSZACIVSA-N 2 2 400.549 -0.429 20 0 HBADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000445995138 1071451599 /nfs/dbraw/zinc/45/15/99/1071451599.db2.gz YBXBBSDEVCTSCO-CQSZACIVSA-N 2 2 400.549 -0.429 20 0 HBADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446042949 1071454401 /nfs/dbraw/zinc/45/44/01/1071454401.db2.gz KXFORJADLSONNG-KRWDZBQOSA-N 2 2 406.531 0.487 20 0 HBADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446042949 1071454383 /nfs/dbraw/zinc/45/43/83/1071454383.db2.gz KXFORJADLSONNG-KRWDZBQOSA-N 2 2 406.531 0.487 20 0 HBADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446042950 1071454456 /nfs/dbraw/zinc/45/44/56/1071454456.db2.gz KXFORJADLSONNG-QGZVFWFLSA-N 2 2 406.531 0.487 20 0 HBADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446042950 1071454448 /nfs/dbraw/zinc/45/44/48/1071454448.db2.gz KXFORJADLSONNG-QGZVFWFLSA-N 2 2 406.531 0.487 20 0 HBADLP CN(C(=O)c1cc(C(N)=O)cn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000446055994 1071458254 /nfs/dbraw/zinc/45/82/54/1071458254.db2.gz UIPJQINDADNMBN-UHFFFAOYSA-N 2 2 404.515 -0.566 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000446716475 1071511648 /nfs/dbraw/zinc/51/16/48/1071511648.db2.gz ZXEJQWHQJUJYKZ-INIZCTEOSA-N 2 2 404.515 0.287 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000446716475 1071511637 /nfs/dbraw/zinc/51/16/37/1071511637.db2.gz ZXEJQWHQJUJYKZ-INIZCTEOSA-N 2 2 404.515 0.287 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000446716476 1071511765 /nfs/dbraw/zinc/51/17/65/1071511765.db2.gz ZXEJQWHQJUJYKZ-MRXNPFEDSA-N 2 2 404.515 0.287 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000446716476 1071511757 /nfs/dbraw/zinc/51/17/57/1071511757.db2.gz ZXEJQWHQJUJYKZ-MRXNPFEDSA-N 2 2 404.515 0.287 20 0 HBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000446721010 1071512248 /nfs/dbraw/zinc/51/22/48/1071512248.db2.gz QBEXJBCUBBOVQI-UHFFFAOYSA-N 2 2 420.514 -0.523 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000446722853 1069608640 /nfs/dbraw/zinc/60/86/40/1069608640.db2.gz KEQWYQQSNGKEIW-GOSISDBHSA-N 2 2 418.542 0.488 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000446722854 1069608190 /nfs/dbraw/zinc/60/81/90/1069608190.db2.gz KEQWYQQSNGKEIW-SFHVURJKSA-N 2 2 418.542 0.488 20 0 HBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000446736417 1071515672 /nfs/dbraw/zinc/51/56/72/1071515672.db2.gz OZKFLLVMWRRTFR-KRWDZBQOSA-N 2 2 420.514 -0.666 20 0 HBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000446736418 1071516037 /nfs/dbraw/zinc/51/60/37/1071516037.db2.gz OZKFLLVMWRRTFR-QGZVFWFLSA-N 2 2 420.514 -0.666 20 0 HBADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCSC1 ZINC000446740306 1071514223 /nfs/dbraw/zinc/51/42/23/1071514223.db2.gz CGIJRQZPMDOFKR-GOSISDBHSA-N 2 2 410.544 -0.293 20 0 HBADLP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCSC1 ZINC000446740307 1071514336 /nfs/dbraw/zinc/51/43/36/1071514336.db2.gz CGIJRQZPMDOFKR-SFHVURJKSA-N 2 2 410.544 -0.293 20 0 HBADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCSC1 ZINC000446741852 1071514463 /nfs/dbraw/zinc/51/44/63/1071514463.db2.gz PCCKNURWUNLHFC-GOSISDBHSA-N 2 2 410.544 -0.293 20 0 HBADLP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCSC1 ZINC000446741853 1069548803 /nfs/dbraw/zinc/54/88/03/1069548803.db2.gz PCCKNURWUNLHFC-SFHVURJKSA-N 2 2 410.544 -0.293 20 0 HBADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446743320 1069550822 /nfs/dbraw/zinc/55/08/22/1069550822.db2.gz ULYXJILKCCKIEO-GOSISDBHSA-N 2 2 418.542 0.344 20 0 HBADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446743320 1069550813 /nfs/dbraw/zinc/55/08/13/1069550813.db2.gz ULYXJILKCCKIEO-GOSISDBHSA-N 2 2 418.542 0.344 20 0 HBADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446743321 1071515092 /nfs/dbraw/zinc/51/50/92/1071515092.db2.gz ULYXJILKCCKIEO-SFHVURJKSA-N 2 2 418.542 0.344 20 0 HBADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446743321 1071515084 /nfs/dbraw/zinc/51/50/84/1071515084.db2.gz ULYXJILKCCKIEO-SFHVURJKSA-N 2 2 418.542 0.344 20 0 HBADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446744068 1069598567 /nfs/dbraw/zinc/59/85/67/1069598567.db2.gz IFGNKHXMSLNILV-KRWDZBQOSA-N 2 2 406.531 0.344 20 0 HBADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446744068 1069598557 /nfs/dbraw/zinc/59/85/57/1069598557.db2.gz IFGNKHXMSLNILV-KRWDZBQOSA-N 2 2 406.531 0.344 20 0 HBADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446744069 1069598430 /nfs/dbraw/zinc/59/84/30/1069598430.db2.gz IFGNKHXMSLNILV-QGZVFWFLSA-N 2 2 406.531 0.344 20 0 HBADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446744069 1069598416 /nfs/dbraw/zinc/59/84/16/1069598416.db2.gz IFGNKHXMSLNILV-QGZVFWFLSA-N 2 2 406.531 0.344 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446747436 1071515730 /nfs/dbraw/zinc/51/57/30/1071515730.db2.gz DNPSQRZIXSAFDU-GOSISDBHSA-N 2 2 418.542 0.535 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446747436 1071515716 /nfs/dbraw/zinc/51/57/16/1071515716.db2.gz DNPSQRZIXSAFDU-GOSISDBHSA-N 2 2 418.542 0.535 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446747437 1069608961 /nfs/dbraw/zinc/60/89/61/1069608961.db2.gz DNPSQRZIXSAFDU-SFHVURJKSA-N 2 2 418.542 0.535 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446747437 1069608958 /nfs/dbraw/zinc/60/89/58/1069608958.db2.gz DNPSQRZIXSAFDU-SFHVURJKSA-N 2 2 418.542 0.535 20 0 HBADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446750323 1069611186 /nfs/dbraw/zinc/61/11/86/1069611186.db2.gz GLIUSYOBDZVZJC-KRWDZBQOSA-N 2 2 406.531 0.344 20 0 HBADLP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446750324 1069611203 /nfs/dbraw/zinc/61/12/03/1069611203.db2.gz GLIUSYOBDZVZJC-QGZVFWFLSA-N 2 2 406.531 0.344 20 0 HBADLP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446755224 1069615686 /nfs/dbraw/zinc/61/56/86/1069615686.db2.gz ZALXOUXPASATRO-UHFFFAOYSA-N 2 2 406.531 0.392 20 0 HBADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446770942 1071517056 /nfs/dbraw/zinc/51/70/56/1071517056.db2.gz XKQCTXLSTKOMIN-UHFFFAOYSA-N 2 2 422.530 -0.277 20 0 HBADLP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446773129 1069599116 /nfs/dbraw/zinc/59/91/16/1069599116.db2.gz BMCPLJFBIQRDBA-UHFFFAOYSA-N 2 2 406.531 0.392 20 0 HBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446774739 1071517988 /nfs/dbraw/zinc/51/79/88/1071517988.db2.gz GYAMPIQSHIKLAB-KRWDZBQOSA-N 2 2 408.503 -0.619 20 0 HBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446774739 1071517980 /nfs/dbraw/zinc/51/79/80/1071517980.db2.gz GYAMPIQSHIKLAB-KRWDZBQOSA-N 2 2 408.503 -0.619 20 0 HBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446774740 1071517839 /nfs/dbraw/zinc/51/78/39/1071517839.db2.gz GYAMPIQSHIKLAB-QGZVFWFLSA-N 2 2 408.503 -0.619 20 0 HBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446774740 1071517825 /nfs/dbraw/zinc/51/78/25/1071517825.db2.gz GYAMPIQSHIKLAB-QGZVFWFLSA-N 2 2 408.503 -0.619 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000446777508 1071520538 /nfs/dbraw/zinc/52/05/38/1071520538.db2.gz SFSJZELAKUBQGG-INIZCTEOSA-N 2 2 408.503 -0.762 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000446777510 1071520339 /nfs/dbraw/zinc/52/03/39/1071520339.db2.gz SFSJZELAKUBQGG-MRXNPFEDSA-N 2 2 408.503 -0.762 20 0 HBADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446778941 1069649187 /nfs/dbraw/zinc/64/91/87/1069649187.db2.gz YEFKXOSYGBHIEL-KRWDZBQOSA-N 2 2 406.531 0.535 20 0 HBADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446778944 1069644682 /nfs/dbraw/zinc/64/46/82/1069644682.db2.gz YEFKXOSYGBHIEL-QGZVFWFLSA-N 2 2 406.531 0.535 20 0 HBADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446778944 1069644680 /nfs/dbraw/zinc/64/46/80/1069644680.db2.gz YEFKXOSYGBHIEL-QGZVFWFLSA-N 2 2 406.531 0.535 20 0 HBADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446779991 1069566944 /nfs/dbraw/zinc/56/69/44/1069566944.db2.gz FJYSSGAJGHHALX-KRWDZBQOSA-N 2 2 406.531 0.390 20 0 HBADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446779991 1069566940 /nfs/dbraw/zinc/56/69/40/1069566940.db2.gz FJYSSGAJGHHALX-KRWDZBQOSA-N 2 2 406.531 0.390 20 0 HBADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446779992 1069567629 /nfs/dbraw/zinc/56/76/29/1069567629.db2.gz FJYSSGAJGHHALX-QGZVFWFLSA-N 2 2 406.531 0.390 20 0 HBADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446779992 1069567616 /nfs/dbraw/zinc/56/76/16/1069567616.db2.gz FJYSSGAJGHHALX-QGZVFWFLSA-N 2 2 406.531 0.390 20 0 HBADLP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446787078 1069591559 /nfs/dbraw/zinc/59/15/59/1069591559.db2.gz XAQKBEFDILWNPE-UHFFFAOYSA-N 2 2 406.531 0.535 20 0 HBADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000446798341 1069617251 /nfs/dbraw/zinc/61/72/51/1069617251.db2.gz ZTLDZPLHTAAEKS-DLBZAZTESA-N 2 2 406.531 0.485 20 0 HBADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000446798341 1069617244 /nfs/dbraw/zinc/61/72/44/1069617244.db2.gz ZTLDZPLHTAAEKS-DLBZAZTESA-N 2 2 406.531 0.485 20 0 HBADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000446798342 1069617153 /nfs/dbraw/zinc/61/71/53/1069617153.db2.gz ZTLDZPLHTAAEKS-IAGOWNOFSA-N 2 2 406.531 0.485 20 0 HBADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000446798342 1069617149 /nfs/dbraw/zinc/61/71/49/1069617149.db2.gz ZTLDZPLHTAAEKS-IAGOWNOFSA-N 2 2 406.531 0.485 20 0 HBADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000446798343 1069617298 /nfs/dbraw/zinc/61/72/98/1069617298.db2.gz ZTLDZPLHTAAEKS-IRXDYDNUSA-N 2 2 406.531 0.485 20 0 HBADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000446798343 1069617291 /nfs/dbraw/zinc/61/72/91/1069617291.db2.gz ZTLDZPLHTAAEKS-IRXDYDNUSA-N 2 2 406.531 0.485 20 0 HBADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000446798344 1069617338 /nfs/dbraw/zinc/61/73/38/1069617338.db2.gz ZTLDZPLHTAAEKS-SJORKVTESA-N 2 2 406.531 0.485 20 0 HBADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000446798344 1069617334 /nfs/dbraw/zinc/61/73/34/1069617334.db2.gz ZTLDZPLHTAAEKS-SJORKVTESA-N 2 2 406.531 0.485 20 0 HBADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC[C@H]21 ZINC000446799435 1069554347 /nfs/dbraw/zinc/55/43/47/1069554347.db2.gz NXBMJZIRUVKKBO-DLBZAZTESA-N 2 2 404.515 0.097 20 0 HBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC[C@H]21 ZINC000446799435 1069554342 /nfs/dbraw/zinc/55/43/42/1069554342.db2.gz NXBMJZIRUVKKBO-DLBZAZTESA-N 2 2 404.515 0.097 20 0 HBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC[C@H]21 ZINC000446799436 1071523960 /nfs/dbraw/zinc/52/39/60/1071523960.db2.gz NXBMJZIRUVKKBO-IAGOWNOFSA-N 2 2 404.515 0.097 20 0 HBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC[C@H]21 ZINC000446799436 1071523948 /nfs/dbraw/zinc/52/39/48/1071523948.db2.gz NXBMJZIRUVKKBO-IAGOWNOFSA-N 2 2 404.515 0.097 20 0 HBADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC[C@@H]21 ZINC000446799437 1069554129 /nfs/dbraw/zinc/55/41/29/1069554129.db2.gz NXBMJZIRUVKKBO-IRXDYDNUSA-N 2 2 404.515 0.097 20 0 HBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC[C@@H]21 ZINC000446799437 1069554121 /nfs/dbraw/zinc/55/41/21/1069554121.db2.gz NXBMJZIRUVKKBO-IRXDYDNUSA-N 2 2 404.515 0.097 20 0 HBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC[C@@H]21 ZINC000446799438 1069554289 /nfs/dbraw/zinc/55/42/89/1069554289.db2.gz NXBMJZIRUVKKBO-SJORKVTESA-N 2 2 404.515 0.097 20 0 HBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC[C@@H]21 ZINC000446799438 1069554286 /nfs/dbraw/zinc/55/42/86/1069554286.db2.gz NXBMJZIRUVKKBO-SJORKVTESA-N 2 2 404.515 0.097 20 0 HBADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446804227 1069544494 /nfs/dbraw/zinc/54/44/94/1069544494.db2.gz QEUOZNYQUWERJF-UHFFFAOYSA-N 2 2 418.498 0.337 20 0 HBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000446804389 1071524704 /nfs/dbraw/zinc/52/47/04/1071524704.db2.gz SADLHVAXTXAEKU-KRWDZBQOSA-N 2 2 420.514 -0.666 20 0 HBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000446804390 1071524634 /nfs/dbraw/zinc/52/46/34/1071524634.db2.gz SADLHVAXTXAEKU-QGZVFWFLSA-N 2 2 420.514 -0.666 20 0 HBADLP CN(C(=O)C(=O)Nc1ccc(F)cn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000447151438 1071549866 /nfs/dbraw/zinc/54/98/66/1071549866.db2.gz VYCUGPPHEHMJTC-UHFFFAOYSA-N 2 2 420.489 -0.144 20 0 HBADLP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000447412842 1068978913 /nfs/dbraw/zinc/97/89/13/1068978913.db2.gz IUNNCAGAPGDFPG-UHFFFAOYSA-N 2 2 404.515 0.144 20 0 HBADLP CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000447429336 1068978130 /nfs/dbraw/zinc/97/81/30/1068978130.db2.gz XDMUIOVTSLFVDW-UHFFFAOYSA-N 2 2 406.531 0.392 20 0 HBADLP CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000447429336 1068978120 /nfs/dbraw/zinc/97/81/20/1068978120.db2.gz XDMUIOVTSLFVDW-UHFFFAOYSA-N 2 2 406.531 0.392 20 0 HBADLP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000448126247 1069028678 /nfs/dbraw/zinc/02/86/78/1069028678.db2.gz AZTAHNKFPZGILM-QBPKDAKJSA-N 3 2 406.579 -0.015 20 0 HBADLP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000448126247 1069028661 /nfs/dbraw/zinc/02/86/61/1069028661.db2.gz AZTAHNKFPZGILM-QBPKDAKJSA-N 3 2 406.579 -0.015 20 0 HBADLP COCCNc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000448126247 1069028638 /nfs/dbraw/zinc/02/86/38/1069028638.db2.gz AZTAHNKFPZGILM-QBPKDAKJSA-N 3 2 406.579 -0.015 20 0 HBADLP COCCNc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000448126247 1069028629 /nfs/dbraw/zinc/02/86/29/1069028629.db2.gz AZTAHNKFPZGILM-QBPKDAKJSA-N 3 2 406.579 -0.015 20 0 HBADLP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000448126247 1069028613 /nfs/dbraw/zinc/02/86/13/1069028613.db2.gz AZTAHNKFPZGILM-QBPKDAKJSA-N 3 2 406.579 -0.015 20 0 HBADLP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000448126247 1069028599 /nfs/dbraw/zinc/02/85/99/1069028599.db2.gz AZTAHNKFPZGILM-QBPKDAKJSA-N 3 2 406.579 -0.015 20 0 HBADLP CC[NH+]1CCC(Nc2nc(NCCOC)nc(NC3CC[NH+](CC)CC3)[nH+]2)CC1 ZINC000448131891 1069029598 /nfs/dbraw/zinc/02/95/98/1069029598.db2.gz CLMPHUQTJMIVTH-UHFFFAOYSA-N 3 2 406.579 -0.012 20 0 HBADLP CC[NH+]1CCC(Nc2nc(NCCOC)[nH+]c(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000448131891 1069029587 /nfs/dbraw/zinc/02/95/87/1069029587.db2.gz CLMPHUQTJMIVTH-UHFFFAOYSA-N 3 2 406.579 -0.012 20 0 HBADLP COCCNc1nc(N2CC[NH+](C3CC3)CC2)nc(N2CC[NH+](C3CC3)CC2)n1 ZINC000448132645 1069029637 /nfs/dbraw/zinc/02/96/37/1069029637.db2.gz OBBLWANCXVNLIL-UHFFFAOYSA-N 2 2 402.547 -0.079 20 0 HBADLP CCC(=O)N1CC[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000448246941 1069036044 /nfs/dbraw/zinc/03/60/44/1069036044.db2.gz HGNQOSKMDZOCOM-KRWDZBQOSA-N 2 2 407.559 -0.058 20 0 HBADLP CCC(=O)N1CC[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000448246944 1069036155 /nfs/dbraw/zinc/03/61/55/1069036155.db2.gz HGNQOSKMDZOCOM-QGZVFWFLSA-N 2 2 407.559 -0.058 20 0 HBADLP Cn1cc[nH+]c1N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000448248556 1069034777 /nfs/dbraw/zinc/03/47/77/1069034777.db2.gz KBIGRXOLJKWTTH-KRWDZBQOSA-N 2 2 404.515 -0.218 20 0 HBADLP Cn1cc[nH+]c1N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000448248559 1069034699 /nfs/dbraw/zinc/03/46/99/1069034699.db2.gz KBIGRXOLJKWTTH-QGZVFWFLSA-N 2 2 404.515 -0.218 20 0 HBADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448323609 1069042276 /nfs/dbraw/zinc/04/22/76/1069042276.db2.gz YLKZRKUPSCQEGU-INIZCTEOSA-N 2 2 406.531 0.390 20 0 HBADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448323609 1069042269 /nfs/dbraw/zinc/04/22/69/1069042269.db2.gz YLKZRKUPSCQEGU-INIZCTEOSA-N 2 2 406.531 0.390 20 0 HBADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448323610 1069042250 /nfs/dbraw/zinc/04/22/50/1069042250.db2.gz YLKZRKUPSCQEGU-MRXNPFEDSA-N 2 2 406.531 0.390 20 0 HBADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448323610 1069042244 /nfs/dbraw/zinc/04/22/44/1069042244.db2.gz YLKZRKUPSCQEGU-MRXNPFEDSA-N 2 2 406.531 0.390 20 0 HBADLP C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000448479995 1069547049 /nfs/dbraw/zinc/54/70/49/1069547049.db2.gz XTUWRASGJYYOLW-UHFFFAOYSA-N 2 2 414.510 0.532 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCCC[C@@H]1C ZINC000448488177 1069057592 /nfs/dbraw/zinc/05/75/92/1069057592.db2.gz PRHNFCRRKMUROL-DLBZAZTESA-N 2 2 406.531 0.533 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000448488177 1069057591 /nfs/dbraw/zinc/05/75/91/1069057591.db2.gz PRHNFCRRKMUROL-DLBZAZTESA-N 2 2 406.531 0.533 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCCC[C@H]1C ZINC000448488181 1069057807 /nfs/dbraw/zinc/05/78/07/1069057807.db2.gz PRHNFCRRKMUROL-IAGOWNOFSA-N 2 2 406.531 0.533 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCCC[C@H]1C ZINC000448488181 1069057798 /nfs/dbraw/zinc/05/77/98/1069057798.db2.gz PRHNFCRRKMUROL-IAGOWNOFSA-N 2 2 406.531 0.533 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCCC[C@@H]1C ZINC000448488182 1069057885 /nfs/dbraw/zinc/05/78/85/1069057885.db2.gz PRHNFCRRKMUROL-IRXDYDNUSA-N 2 2 406.531 0.533 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCCC[C@@H]1C ZINC000448488182 1069057878 /nfs/dbraw/zinc/05/78/78/1069057878.db2.gz PRHNFCRRKMUROL-IRXDYDNUSA-N 2 2 406.531 0.533 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCCC[C@H]1C ZINC000448488183 1069057668 /nfs/dbraw/zinc/05/76/68/1069057668.db2.gz PRHNFCRRKMUROL-SJORKVTESA-N 2 2 406.531 0.533 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCCC[C@H]1C ZINC000448488183 1069057662 /nfs/dbraw/zinc/05/76/62/1069057662.db2.gz PRHNFCRRKMUROL-SJORKVTESA-N 2 2 406.531 0.533 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000448491621 1069057622 /nfs/dbraw/zinc/05/76/22/1069057622.db2.gz VYPOMSQRBFLTTG-DLBZAZTESA-N 2 2 406.531 0.390 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000448491621 1069057618 /nfs/dbraw/zinc/05/76/18/1069057618.db2.gz VYPOMSQRBFLTTG-DLBZAZTESA-N 2 2 406.531 0.390 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000448491622 1069057705 /nfs/dbraw/zinc/05/77/05/1069057705.db2.gz VYPOMSQRBFLTTG-IAGOWNOFSA-N 2 2 406.531 0.390 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448491622 1069057698 /nfs/dbraw/zinc/05/76/98/1069057698.db2.gz VYPOMSQRBFLTTG-IAGOWNOFSA-N 2 2 406.531 0.390 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000448491623 1069058637 /nfs/dbraw/zinc/05/86/37/1069058637.db2.gz VYPOMSQRBFLTTG-IRXDYDNUSA-N 2 2 406.531 0.390 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000448491623 1069058635 /nfs/dbraw/zinc/05/86/35/1069058635.db2.gz VYPOMSQRBFLTTG-IRXDYDNUSA-N 2 2 406.531 0.390 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000448491624 1069058612 /nfs/dbraw/zinc/05/86/12/1069058612.db2.gz VYPOMSQRBFLTTG-SJORKVTESA-N 2 2 406.531 0.390 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000448491624 1069058609 /nfs/dbraw/zinc/05/86/09/1069058609.db2.gz VYPOMSQRBFLTTG-SJORKVTESA-N 2 2 406.531 0.390 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+]1CCCC1 ZINC000448498073 1069061313 /nfs/dbraw/zinc/06/13/13/1069061313.db2.gz FKARSSFNDVLXJO-KRWDZBQOSA-N 2 2 406.531 0.390 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+]1CCCC1 ZINC000448498074 1069061353 /nfs/dbraw/zinc/06/13/53/1069061353.db2.gz FKARSSFNDVLXJO-QGZVFWFLSA-N 2 2 406.531 0.390 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448500019 1069610380 /nfs/dbraw/zinc/61/03/80/1069610380.db2.gz WKOUNWCOCODESU-UHFFFAOYSA-N 2 2 421.546 -0.214 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448500019 1069610373 /nfs/dbraw/zinc/61/03/73/1069610373.db2.gz WKOUNWCOCODESU-UHFFFAOYSA-N 2 2 421.546 -0.214 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000448501919 1069062395 /nfs/dbraw/zinc/06/23/95/1069062395.db2.gz VDKZXDIGPASJOQ-KRWDZBQOSA-N 2 2 404.515 0.241 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000448501920 1069062489 /nfs/dbraw/zinc/06/24/89/1069062489.db2.gz VDKZXDIGPASJOQ-QGZVFWFLSA-N 2 2 404.515 0.241 20 0 HBADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448503382 1069549921 /nfs/dbraw/zinc/54/99/21/1069549921.db2.gz CIGRYYIVQGRKKW-DLBZAZTESA-N 2 2 406.531 0.390 20 0 HBADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448503382 1069549917 /nfs/dbraw/zinc/54/99/17/1069549917.db2.gz CIGRYYIVQGRKKW-DLBZAZTESA-N 2 2 406.531 0.390 20 0 HBADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448503383 1069062361 /nfs/dbraw/zinc/06/23/61/1069062361.db2.gz CIGRYYIVQGRKKW-IAGOWNOFSA-N 2 2 406.531 0.390 20 0 HBADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448503383 1069062357 /nfs/dbraw/zinc/06/23/57/1069062357.db2.gz CIGRYYIVQGRKKW-IAGOWNOFSA-N 2 2 406.531 0.390 20 0 HBADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448503384 1069660977 /nfs/dbraw/zinc/66/09/77/1069660977.db2.gz CIGRYYIVQGRKKW-IRXDYDNUSA-N 2 2 406.531 0.390 20 0 HBADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448503384 1069660974 /nfs/dbraw/zinc/66/09/74/1069660974.db2.gz CIGRYYIVQGRKKW-IRXDYDNUSA-N 2 2 406.531 0.390 20 0 HBADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448503385 1069661064 /nfs/dbraw/zinc/66/10/64/1069661064.db2.gz CIGRYYIVQGRKKW-SJORKVTESA-N 2 2 406.531 0.390 20 0 HBADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448503385 1069661060 /nfs/dbraw/zinc/66/10/60/1069661060.db2.gz CIGRYYIVQGRKKW-SJORKVTESA-N 2 2 406.531 0.390 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000448505091 1069062434 /nfs/dbraw/zinc/06/24/34/1069062434.db2.gz VAGYLKBBDPHHGN-UHFFFAOYSA-N 2 2 404.515 0.241 20 0 HBADLP C[N@@H+](CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccccc1 ZINC000448506301 1069062460 /nfs/dbraw/zinc/06/24/60/1069062460.db2.gz UUGRHAAYIZFXRT-UHFFFAOYSA-N 2 2 414.510 0.402 20 0 HBADLP C[N@H+](CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccccc1 ZINC000448506301 1069062456 /nfs/dbraw/zinc/06/24/56/1069062456.db2.gz UUGRHAAYIZFXRT-UHFFFAOYSA-N 2 2 414.510 0.402 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000448506726 1069062471 /nfs/dbraw/zinc/06/24/71/1069062471.db2.gz BESFOMSHERZKRM-UHFFFAOYSA-N 2 2 404.515 0.241 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCCCC1 ZINC000448508745 1069062406 /nfs/dbraw/zinc/06/24/06/1069062406.db2.gz WNVGENNQRLHNMH-KRWDZBQOSA-N 2 2 406.531 0.392 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCCCC1 ZINC000448508746 1069062315 /nfs/dbraw/zinc/06/23/15/1069062315.db2.gz WNVGENNQRLHNMH-QGZVFWFLSA-N 2 2 406.531 0.392 20 0 HBADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000448513427 1069060449 /nfs/dbraw/zinc/06/04/49/1069060449.db2.gz QUQXJAMJTJVACF-KRWDZBQOSA-N 2 2 406.531 0.390 20 0 HBADLP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000448513428 1069060490 /nfs/dbraw/zinc/06/04/90/1069060490.db2.gz QUQXJAMJTJVACF-QGZVFWFLSA-N 2 2 406.531 0.390 20 0 HBADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCCC1 ZINC000448527379 1069542693 /nfs/dbraw/zinc/54/26/93/1069542693.db2.gz BHQFXPXTUIFGKW-UHFFFAOYSA-N 2 2 406.531 0.535 20 0 HBADLP CC(C)(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+]1CCCCC1 ZINC000448530339 1069065252 /nfs/dbraw/zinc/06/52/52/1069065252.db2.gz VNIHDXPFGLRUCO-UHFFFAOYSA-N 2 2 406.531 0.535 20 0 HBADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000448531605 1069066119 /nfs/dbraw/zinc/06/61/19/1069066119.db2.gz UKNAVFZLKNCTNU-UHFFFAOYSA-N 2 2 414.510 0.532 20 0 HBADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448532108 1069065905 /nfs/dbraw/zinc/06/59/05/1069065905.db2.gz LJPALCXGFLIFLY-UHFFFAOYSA-N 2 2 414.510 0.532 20 0 HBADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000448532483 1069545328 /nfs/dbraw/zinc/54/53/28/1069545328.db2.gz NDSBJZOVEONQHU-GOSISDBHSA-N 2 2 414.510 0.400 20 0 HBADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000448532483 1069545319 /nfs/dbraw/zinc/54/53/19/1069545319.db2.gz NDSBJZOVEONQHU-GOSISDBHSA-N 2 2 414.510 0.400 20 0 HBADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000448532484 1069545904 /nfs/dbraw/zinc/54/59/04/1069545904.db2.gz NDSBJZOVEONQHU-SFHVURJKSA-N 2 2 414.510 0.400 20 0 HBADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000448532484 1069545895 /nfs/dbraw/zinc/54/58/95/1069545895.db2.gz NDSBJZOVEONQHU-SFHVURJKSA-N 2 2 414.510 0.400 20 0 HBADLP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000448532679 1069065997 /nfs/dbraw/zinc/06/59/97/1069065997.db2.gz ODWJHAYKVYJQDR-GOSISDBHSA-N 2 2 414.510 0.573 20 0 HBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000448532680 1069066025 /nfs/dbraw/zinc/06/60/25/1069066025.db2.gz ODWJHAYKVYJQDR-SFHVURJKSA-N 2 2 414.510 0.573 20 0 HBADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)O1 ZINC000448534717 1069539526 /nfs/dbraw/zinc/53/95/26/1069539526.db2.gz KLXFGUZSLCWNLQ-CALCHBBNSA-N 2 2 422.530 -0.231 20 0 HBADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)O1 ZINC000448534717 1069539521 /nfs/dbraw/zinc/53/95/21/1069539521.db2.gz KLXFGUZSLCWNLQ-CALCHBBNSA-N 2 2 422.530 -0.231 20 0 HBADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H](C)O1 ZINC000448534718 1069539614 /nfs/dbraw/zinc/53/96/14/1069539614.db2.gz KLXFGUZSLCWNLQ-IAGOWNOFSA-N 2 2 422.530 -0.231 20 0 HBADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)O1 ZINC000448534719 1069559313 /nfs/dbraw/zinc/55/93/13/1069559313.db2.gz KLXFGUZSLCWNLQ-IRXDYDNUSA-N 2 2 422.530 -0.231 20 0 HBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000448535364 1069563280 /nfs/dbraw/zinc/56/32/80/1069563280.db2.gz SMHJSKMCFVZFMC-KRWDZBQOSA-N 2 2 422.530 -0.373 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000448535364 1069563273 /nfs/dbraw/zinc/56/32/73/1069563273.db2.gz SMHJSKMCFVZFMC-KRWDZBQOSA-N 2 2 422.530 -0.373 20 0 HBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000448535365 1069563141 /nfs/dbraw/zinc/56/31/41/1069563141.db2.gz SMHJSKMCFVZFMC-QGZVFWFLSA-N 2 2 422.530 -0.373 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000448535365 1069563136 /nfs/dbraw/zinc/56/31/36/1069563136.db2.gz SMHJSKMCFVZFMC-QGZVFWFLSA-N 2 2 422.530 -0.373 20 0 HBADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000448535734 1069842343 /nfs/dbraw/zinc/84/23/43/1069842343.db2.gz WZFHPIMFNLBHQL-CALCHBBNSA-N 2 2 422.530 -0.231 20 0 HBADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000448535734 1069842317 /nfs/dbraw/zinc/84/23/17/1069842317.db2.gz WZFHPIMFNLBHQL-CALCHBBNSA-N 2 2 422.530 -0.231 20 0 HBADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000448535735 1069842560 /nfs/dbraw/zinc/84/25/60/1069842560.db2.gz WZFHPIMFNLBHQL-IAGOWNOFSA-N 2 2 422.530 -0.231 20 0 HBADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000448535736 1069842824 /nfs/dbraw/zinc/84/28/24/1069842824.db2.gz WZFHPIMFNLBHQL-IRXDYDNUSA-N 2 2 422.530 -0.231 20 0 HBADLP CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448537310 1069587422 /nfs/dbraw/zinc/58/74/22/1069587422.db2.gz JLWNUKOJAZGJSR-UHFFFAOYSA-N 2 2 406.531 0.392 20 0 HBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000448539763 1069063305 /nfs/dbraw/zinc/06/33/05/1069063305.db2.gz WNLOFDANFBXORV-GOSISDBHSA-N 2 2 422.530 -0.373 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000448539763 1069063298 /nfs/dbraw/zinc/06/32/98/1069063298.db2.gz WNLOFDANFBXORV-GOSISDBHSA-N 2 2 422.530 -0.373 20 0 HBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000448539764 1069063328 /nfs/dbraw/zinc/06/33/28/1069063328.db2.gz WNLOFDANFBXORV-SFHVURJKSA-N 2 2 422.530 -0.373 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000448539764 1069063323 /nfs/dbraw/zinc/06/33/23/1069063323.db2.gz WNLOFDANFBXORV-SFHVURJKSA-N 2 2 422.530 -0.373 20 0 HBADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000460257423 1069359527 /nfs/dbraw/zinc/35/95/27/1069359527.db2.gz JINXQOZMBSQRIO-JXFKEZNVSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000460257423 1069359518 /nfs/dbraw/zinc/35/95/18/1069359518.db2.gz JINXQOZMBSQRIO-JXFKEZNVSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000460257423 1069359509 /nfs/dbraw/zinc/35/95/09/1069359509.db2.gz JINXQOZMBSQRIO-JXFKEZNVSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000460257423 1069359498 /nfs/dbraw/zinc/35/94/98/1069359498.db2.gz JINXQOZMBSQRIO-JXFKEZNVSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000460257424 1069359423 /nfs/dbraw/zinc/35/94/23/1069359423.db2.gz JINXQOZMBSQRIO-OXJNMPFZSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000460257424 1069359410 /nfs/dbraw/zinc/35/94/10/1069359410.db2.gz JINXQOZMBSQRIO-OXJNMPFZSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000460257424 1069359398 /nfs/dbraw/zinc/35/93/98/1069359398.db2.gz JINXQOZMBSQRIO-OXJNMPFZSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000460257424 1069359384 /nfs/dbraw/zinc/35/93/84/1069359384.db2.gz JINXQOZMBSQRIO-OXJNMPFZSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000460257425 1069359996 /nfs/dbraw/zinc/35/99/96/1069359996.db2.gz JINXQOZMBSQRIO-OXQOHEQNSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000460257425 1069359985 /nfs/dbraw/zinc/35/99/85/1069359985.db2.gz JINXQOZMBSQRIO-OXQOHEQNSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000460257425 1069359965 /nfs/dbraw/zinc/35/99/65/1069359965.db2.gz JINXQOZMBSQRIO-OXQOHEQNSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000460257425 1069359951 /nfs/dbraw/zinc/35/99/51/1069359951.db2.gz JINXQOZMBSQRIO-OXQOHEQNSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000460257428 1069359683 /nfs/dbraw/zinc/35/96/83/1069359683.db2.gz JINXQOZMBSQRIO-UZLBHIALSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000460257428 1069359667 /nfs/dbraw/zinc/35/96/67/1069359667.db2.gz JINXQOZMBSQRIO-UZLBHIALSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000460257428 1069359652 /nfs/dbraw/zinc/35/96/52/1069359652.db2.gz JINXQOZMBSQRIO-UZLBHIALSA-N 2 2 419.530 -0.352 20 0 HBADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000460257428 1069359640 /nfs/dbraw/zinc/35/96/40/1069359640.db2.gz JINXQOZMBSQRIO-UZLBHIALSA-N 2 2 419.530 -0.352 20 0 HBADLP CN(C(=O)C(C)(C)NS(C)(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000461112845 1069655828 /nfs/dbraw/zinc/65/58/28/1069655828.db2.gz XUEUQCRZFWHALW-UHFFFAOYSA-N 2 2 417.576 -0.989 20 0 HBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461193403 1069658116 /nfs/dbraw/zinc/65/81/16/1069658116.db2.gz LJQIVCOZWPPSAE-MOPGFXCFSA-N 2 2 408.543 -0.120 20 0 HBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461194102 1069659750 /nfs/dbraw/zinc/65/97/50/1069659750.db2.gz LJQIVCOZWPPSAE-OALUTQOASA-N 2 2 408.543 -0.120 20 0 HBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461194103 1069659535 /nfs/dbraw/zinc/65/95/35/1069659535.db2.gz LJQIVCOZWPPSAE-RBUKOAKNSA-N 2 2 408.543 -0.120 20 0 HBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461194104 1069659545 /nfs/dbraw/zinc/65/95/45/1069659545.db2.gz LJQIVCOZWPPSAE-RTBURBONSA-N 2 2 408.543 -0.120 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C[C@H]1C ZINC000461233280 1069662196 /nfs/dbraw/zinc/66/21/96/1069662196.db2.gz GJYHPASZTUGAOU-QGFMHUBQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C[C@H]1C ZINC000461233280 1069662191 /nfs/dbraw/zinc/66/21/91/1069662191.db2.gz GJYHPASZTUGAOU-QGFMHUBQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCCC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C[C@H]1C ZINC000461233280 1069662188 /nfs/dbraw/zinc/66/21/88/1069662188.db2.gz GJYHPASZTUGAOU-QGFMHUBQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C[C@H]1C ZINC000461233280 1069662182 /nfs/dbraw/zinc/66/21/82/1069662182.db2.gz GJYHPASZTUGAOU-QGFMHUBQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C[C@@H]1C ZINC000461233281 1069662101 /nfs/dbraw/zinc/66/21/01/1069662101.db2.gz GJYHPASZTUGAOU-RDGPPVDQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C[C@@H]1C ZINC000461233281 1069662096 /nfs/dbraw/zinc/66/20/96/1069662096.db2.gz GJYHPASZTUGAOU-RDGPPVDQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C[C@H]1C ZINC000461233281 1069662092 /nfs/dbraw/zinc/66/20/92/1069662092.db2.gz GJYHPASZTUGAOU-RDGPPVDQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C[C@H]1C ZINC000461233281 1069662088 /nfs/dbraw/zinc/66/20/88/1069662088.db2.gz GJYHPASZTUGAOU-RDGPPVDQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[NH+]1CCC(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)([NH+]2CCCCC2)CC1 ZINC000461281743 1069668412 /nfs/dbraw/zinc/66/84/12/1069668412.db2.gz BTXNKIBVRPSSRG-UHFFFAOYSA-N 2 2 412.560 -0.013 20 0 HBADLP C[NH+]1CCC(CNC(=O)C2CCN(S(N)(=O)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000461297346 1069672047 /nfs/dbraw/zinc/67/20/47/1069672047.db2.gz RUXRMYXXLXJNIX-UHFFFAOYSA-N 2 2 401.577 -0.032 20 0 HBADLP Cn1cc(S(=O)(=O)NCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000461299926 1069672721 /nfs/dbraw/zinc/67/27/21/1069672721.db2.gz ICRHSGNIOCWUGZ-UHFFFAOYSA-N 2 2 412.560 -0.235 20 0 HBADLP O=C(Cc1ccc(CC(=O)N2CC[NH+](CCO)CC2)cc1)N1CC[NH+](CCO)CC1 ZINC000461353859 1069679935 /nfs/dbraw/zinc/67/99/35/1069679935.db2.gz XBDTYRNKDONYHV-UHFFFAOYSA-N 2 2 418.538 -0.955 20 0 HBADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000461528537 1069689138 /nfs/dbraw/zinc/68/91/38/1069689138.db2.gz JLHBORJAVHWODL-INIZCTEOSA-N 2 2 408.503 -0.651 20 0 HBADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000461528537 1069689128 /nfs/dbraw/zinc/68/91/28/1069689128.db2.gz JLHBORJAVHWODL-INIZCTEOSA-N 2 2 408.503 -0.651 20 0 HBADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000461528538 1069689429 /nfs/dbraw/zinc/68/94/29/1069689429.db2.gz JLHBORJAVHWODL-MRXNPFEDSA-N 2 2 408.503 -0.651 20 0 HBADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000461528538 1069689426 /nfs/dbraw/zinc/68/94/26/1069689426.db2.gz JLHBORJAVHWODL-MRXNPFEDSA-N 2 2 408.503 -0.651 20 0 HBADLP CN(C(=O)CNC(=O)c1ccco1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000461674499 1069703660 /nfs/dbraw/zinc/70/36/60/1069703660.db2.gz MLCWAWGJGPCDNT-UHFFFAOYSA-N 2 2 405.499 -0.294 20 0 HBADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000461793491 1069716471 /nfs/dbraw/zinc/71/64/71/1069716471.db2.gz CMBNYVYKZSARLS-KRWDZBQOSA-N 2 2 418.608 -0.074 20 0 HBADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000461793491 1069716463 /nfs/dbraw/zinc/71/64/63/1069716463.db2.gz CMBNYVYKZSARLS-KRWDZBQOSA-N 2 2 418.608 -0.074 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCOCC2)C1 ZINC000462090186 1069748544 /nfs/dbraw/zinc/74/85/44/1069748544.db2.gz CXGWGFSHLVXAJZ-DLBZAZTESA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCOCC2)C1 ZINC000462090186 1069748534 /nfs/dbraw/zinc/74/85/34/1069748534.db2.gz CXGWGFSHLVXAJZ-DLBZAZTESA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCOCC2)C1 ZINC000462090186 1069748527 /nfs/dbraw/zinc/74/85/27/1069748527.db2.gz CXGWGFSHLVXAJZ-DLBZAZTESA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCOCC2)C1 ZINC000462090186 1069748522 /nfs/dbraw/zinc/74/85/22/1069748522.db2.gz CXGWGFSHLVXAJZ-DLBZAZTESA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCOCC2)C1 ZINC000462090187 1069748272 /nfs/dbraw/zinc/74/82/72/1069748272.db2.gz CXGWGFSHLVXAJZ-IAGOWNOFSA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCOCC2)C1 ZINC000462090187 1069748261 /nfs/dbraw/zinc/74/82/61/1069748261.db2.gz CXGWGFSHLVXAJZ-IAGOWNOFSA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCOCC2)C1 ZINC000462090187 1069748246 /nfs/dbraw/zinc/74/82/46/1069748246.db2.gz CXGWGFSHLVXAJZ-IAGOWNOFSA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCOCC2)C1 ZINC000462090187 1069748231 /nfs/dbraw/zinc/74/82/31/1069748231.db2.gz CXGWGFSHLVXAJZ-IAGOWNOFSA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCOCC2)C1 ZINC000462090188 1069748657 /nfs/dbraw/zinc/74/86/57/1069748657.db2.gz CXGWGFSHLVXAJZ-IRXDYDNUSA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCOCC2)C1 ZINC000462090188 1069748653 /nfs/dbraw/zinc/74/86/53/1069748653.db2.gz CXGWGFSHLVXAJZ-IRXDYDNUSA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCOCC2)C1 ZINC000462090188 1069748644 /nfs/dbraw/zinc/74/86/44/1069748644.db2.gz CXGWGFSHLVXAJZ-IRXDYDNUSA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCOCC2)C1 ZINC000462090188 1069748635 /nfs/dbraw/zinc/74/86/35/1069748635.db2.gz CXGWGFSHLVXAJZ-IRXDYDNUSA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCOCC2)C1 ZINC000462090189 1069748482 /nfs/dbraw/zinc/74/84/82/1069748482.db2.gz CXGWGFSHLVXAJZ-SJORKVTESA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCOCC2)C1 ZINC000462090189 1069748473 /nfs/dbraw/zinc/74/84/73/1069748473.db2.gz CXGWGFSHLVXAJZ-SJORKVTESA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCOCC2)C1 ZINC000462090189 1069748463 /nfs/dbraw/zinc/74/84/63/1069748463.db2.gz CXGWGFSHLVXAJZ-SJORKVTESA-N 2 2 412.531 -0.791 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCOCC2)C1 ZINC000462090189 1069748456 /nfs/dbraw/zinc/74/84/56/1069748456.db2.gz CXGWGFSHLVXAJZ-SJORKVTESA-N 2 2 412.531 -0.791 20 0 HBADLP O=S(=O)(CC[NH2+]C1CCS(=O)(=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000463074456 1069700881 /nfs/dbraw/zinc/70/08/81/1069700881.db2.gz RWPNEMORWXKITB-UHFFFAOYSA-N 2 2 402.542 -0.300 20 0 HBADLP CNS(=O)(=O)NC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000463197455 1071347888 /nfs/dbraw/zinc/34/78/88/1071347888.db2.gz AVMKWYPBYXODES-UHFFFAOYSA-N 2 2 410.544 -0.362 20 0 HBADLP COC(=O)C[C@@]1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCOC1 ZINC000464596956 1071472371 /nfs/dbraw/zinc/47/23/71/1071472371.db2.gz OKEDKHXGQNYMAR-IBGZPJMESA-N 2 2 417.470 -0.676 20 0 HBADLP COC(=O)C[C@]1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCOC1 ZINC000464596958 1071472329 /nfs/dbraw/zinc/47/23/29/1071472329.db2.gz OKEDKHXGQNYMAR-LJQANCHMSA-N 2 2 417.470 -0.676 20 0 HBADLP COCCOC[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000464735743 1071481099 /nfs/dbraw/zinc/48/10/99/1071481099.db2.gz MTCGNWHHOADYAR-INIZCTEOSA-N 2 2 417.514 -0.003 20 0 HBADLP COCCOC[C@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000464735743 1071481097 /nfs/dbraw/zinc/48/10/97/1071481097.db2.gz MTCGNWHHOADYAR-INIZCTEOSA-N 2 2 417.514 -0.003 20 0 HBADLP COCCOC[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000464735744 1071481052 /nfs/dbraw/zinc/48/10/52/1071481052.db2.gz MTCGNWHHOADYAR-MRXNPFEDSA-N 2 2 417.514 -0.003 20 0 HBADLP COCCOC[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000464735744 1071481047 /nfs/dbraw/zinc/48/10/47/1071481047.db2.gz MTCGNWHHOADYAR-MRXNPFEDSA-N 2 2 417.514 -0.003 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000464788959 1071486436 /nfs/dbraw/zinc/48/64/36/1071486436.db2.gz BBARCVVJIFBQFQ-FQEVSTJZSA-N 2 2 412.498 -0.386 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000464788959 1071486431 /nfs/dbraw/zinc/48/64/31/1071486431.db2.gz BBARCVVJIFBQFQ-FQEVSTJZSA-N 2 2 412.498 -0.386 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000464788960 1071486530 /nfs/dbraw/zinc/48/65/30/1071486530.db2.gz BBARCVVJIFBQFQ-HXUWFJFHSA-N 2 2 412.498 -0.386 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000464788960 1071486527 /nfs/dbraw/zinc/48/65/27/1071486527.db2.gz BBARCVVJIFBQFQ-HXUWFJFHSA-N 2 2 412.498 -0.386 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000465123971 1071515978 /nfs/dbraw/zinc/51/59/78/1071515978.db2.gz UIZDLLPBZQIIIG-UHFFFAOYSA-N 2 2 404.515 -0.477 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000465123971 1071515964 /nfs/dbraw/zinc/51/59/64/1071515964.db2.gz UIZDLLPBZQIIIG-UHFFFAOYSA-N 2 2 404.515 -0.477 20 0 HBADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000465143598 1071519002 /nfs/dbraw/zinc/51/90/02/1071519002.db2.gz ARMXXMMWNHPPAJ-KRWDZBQOSA-N 2 2 417.510 -0.034 20 0 HBADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000465143611 1071518962 /nfs/dbraw/zinc/51/89/62/1071518962.db2.gz ARMXXMMWNHPPAJ-QGZVFWFLSA-N 2 2 417.510 -0.034 20 0 HBADLP Cn1c2c(ccn2CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(=O)n(C)c1=O ZINC000465174574 1071523589 /nfs/dbraw/zinc/52/35/89/1071523589.db2.gz DRGAPJFKSFSFLW-UHFFFAOYSA-N 2 2 416.526 -0.287 20 0 HBADLP C[NH+]1CCN(c2cc(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)ccn2)CC1 ZINC000465520639 1071750458 /nfs/dbraw/zinc/75/04/58/1071750458.db2.gz UZTGNDHSSGIPFW-FQEVSTJZSA-N 2 2 406.531 -0.284 20 0 HBADLP C[NH+]1CCN(c2cc(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)ccn2)CC1 ZINC000465520640 1071750550 /nfs/dbraw/zinc/75/05/50/1071750550.db2.gz UZTGNDHSSGIPFW-HXUWFJFHSA-N 2 2 406.531 -0.284 20 0 HBADLP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cn2)CC1 ZINC000465563651 1072133984 /nfs/dbraw/zinc/13/39/84/1072133984.db2.gz DXIOUPZOSCIMKC-FQEVSTJZSA-N 2 2 406.531 -0.284 20 0 HBADLP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cn2)CC1 ZINC000465563652 1072133936 /nfs/dbraw/zinc/13/39/36/1072133936.db2.gz DXIOUPZOSCIMKC-HXUWFJFHSA-N 2 2 406.531 -0.284 20 0 HBADLP C[C@](O)(CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCOCC1 ZINC000465570983 1072169548 /nfs/dbraw/zinc/16/95/48/1072169548.db2.gz MEDXLOCBMUPKEZ-FQEVSTJZSA-N 2 2 421.546 -0.629 20 0 HBADLP C[C@@](O)(CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCOCC1 ZINC000465570986 1072169696 /nfs/dbraw/zinc/16/96/96/1072169696.db2.gz MEDXLOCBMUPKEZ-HXUWFJFHSA-N 2 2 421.546 -0.629 20 0 HBADLP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465768224 1069176335 /nfs/dbraw/zinc/17/63/35/1069176335.db2.gz HFUVJROHEUFQBR-FQEVSTJZSA-N 2 2 406.531 -0.284 20 0 HBADLP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465768225 1069176191 /nfs/dbraw/zinc/17/61/91/1069176191.db2.gz HFUVJROHEUFQBR-HXUWFJFHSA-N 2 2 406.531 -0.284 20 0 HBADLP COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000465802831 1069179949 /nfs/dbraw/zinc/17/99/49/1069179949.db2.gz AZPCWAGTKQIWSL-UHFFFAOYSA-N 2 2 424.590 -0.365 20 0 HBADLP C[C@](O)(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCOCC1 ZINC000465819000 1069181408 /nfs/dbraw/zinc/18/14/08/1069181408.db2.gz VPNLCDBPENYAQV-NRFANRHFSA-N 3 2 420.558 -0.024 20 0 HBADLP C[C@@](O)(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCOCC1 ZINC000465819003 1069181512 /nfs/dbraw/zinc/18/15/12/1069181512.db2.gz VPNLCDBPENYAQV-OAQYLSRUSA-N 3 2 420.558 -0.024 20 0 HBADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000466051294 1069280735 /nfs/dbraw/zinc/28/07/35/1069280735.db2.gz POYDFYLPVVMSRJ-CVEARBPZSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000466051294 1069280729 /nfs/dbraw/zinc/28/07/29/1069280729.db2.gz POYDFYLPVVMSRJ-CVEARBPZSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000466051300 1069280702 /nfs/dbraw/zinc/28/07/02/1069280702.db2.gz POYDFYLPVVMSRJ-HOTGVXAUSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000466051300 1069280693 /nfs/dbraw/zinc/28/06/93/1069280693.db2.gz POYDFYLPVVMSRJ-HOTGVXAUSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000466051302 1069280912 /nfs/dbraw/zinc/28/09/12/1069280912.db2.gz POYDFYLPVVMSRJ-HZPDHXFCSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000466051302 1069280900 /nfs/dbraw/zinc/28/09/00/1069280900.db2.gz POYDFYLPVVMSRJ-HZPDHXFCSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000466051305 1069280790 /nfs/dbraw/zinc/28/07/90/1069280790.db2.gz POYDFYLPVVMSRJ-JKSUJKDBSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000466051305 1069280779 /nfs/dbraw/zinc/28/07/79/1069280779.db2.gz POYDFYLPVVMSRJ-JKSUJKDBSA-N 2 2 402.565 -0.712 20 0 HBADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000466527844 1069349411 /nfs/dbraw/zinc/34/94/11/1069349411.db2.gz FUEPOJHJSJKXSR-UHFFFAOYSA-N 2 2 417.514 -0.103 20 0 HBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466756642 1071812083 /nfs/dbraw/zinc/81/20/83/1071812083.db2.gz CQWPVQBYOOABTB-DOTOQJQBSA-N 2 2 414.576 -0.712 20 0 HBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466756642 1071812075 /nfs/dbraw/zinc/81/20/75/1071812075.db2.gz CQWPVQBYOOABTB-DOTOQJQBSA-N 2 2 414.576 -0.712 20 0 HBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466756643 1071812163 /nfs/dbraw/zinc/81/21/63/1071812163.db2.gz CQWPVQBYOOABTB-NVXWUHKLSA-N 2 2 414.576 -0.712 20 0 HBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466756643 1071812159 /nfs/dbraw/zinc/81/21/59/1071812159.db2.gz CQWPVQBYOOABTB-NVXWUHKLSA-N 2 2 414.576 -0.712 20 0 HBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466756644 1071812224 /nfs/dbraw/zinc/81/22/24/1071812224.db2.gz CQWPVQBYOOABTB-RDJZCZTQSA-N 2 2 414.576 -0.712 20 0 HBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466756644 1071812219 /nfs/dbraw/zinc/81/22/19/1071812219.db2.gz CQWPVQBYOOABTB-RDJZCZTQSA-N 2 2 414.576 -0.712 20 0 HBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466756645 1071811993 /nfs/dbraw/zinc/81/19/93/1071811993.db2.gz CQWPVQBYOOABTB-WBVHZDCISA-N 2 2 414.576 -0.712 20 0 HBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466756645 1071811971 /nfs/dbraw/zinc/81/19/71/1071811971.db2.gz CQWPVQBYOOABTB-WBVHZDCISA-N 2 2 414.576 -0.712 20 0 HBADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467199945 1071990308 /nfs/dbraw/zinc/99/03/08/1071990308.db2.gz BZOGOFCSYMWTOF-AWEZNQCLSA-N 2 2 407.515 -0.186 20 0 HBADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467199946 1071990267 /nfs/dbraw/zinc/99/02/67/1071990267.db2.gz BZOGOFCSYMWTOF-CQSZACIVSA-N 2 2 407.515 -0.186 20 0 HBADLP COCCn1c(N)c(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(=O)[nH]c1=O ZINC000467204035 1071990234 /nfs/dbraw/zinc/99/02/34/1071990234.db2.gz CKYRIKKYFUQZLD-UHFFFAOYSA-N 2 2 423.514 -0.063 20 0 HBADLP CO[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000467248923 1071993484 /nfs/dbraw/zinc/99/34/84/1071993484.db2.gz BNOSBYZSAGRSFB-IBGZPJMESA-N 2 2 406.531 -0.196 20 0 HBADLP CO[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000467248924 1071993453 /nfs/dbraw/zinc/99/34/53/1071993453.db2.gz BNOSBYZSAGRSFB-LJQANCHMSA-N 2 2 406.531 -0.196 20 0 HBADLP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000467517793 1072011584 /nfs/dbraw/zinc/01/15/84/1072011584.db2.gz HUZSWFZPEWVSHB-UHFFFAOYSA-N 2 2 405.547 -0.549 20 0 HBADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467551501 1072013785 /nfs/dbraw/zinc/01/37/85/1072013785.db2.gz BYQPAZKUJICSCR-UHFFFAOYSA-N 2 2 419.592 -0.695 20 0 HBADLP CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000467551501 1072013774 /nfs/dbraw/zinc/01/37/74/1072013774.db2.gz BYQPAZKUJICSCR-UHFFFAOYSA-N 2 2 419.592 -0.695 20 0 HBADLP Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1NC(=O)CC[NH+](C)C ZINC000467580267 1071329674 /nfs/dbraw/zinc/32/96/74/1071329674.db2.gz VNJSQOBTQCPUTP-UHFFFAOYSA-N 2 2 405.499 -0.040 20 0 HBADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000467648106 1072021288 /nfs/dbraw/zinc/02/12/88/1072021288.db2.gz UIYGARCFFFVUFP-UHFFFAOYSA-N 2 2 418.498 -0.595 20 0 HBADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000467658613 1072021636 /nfs/dbraw/zinc/02/16/36/1072021636.db2.gz HQKZLCBOVCMDAE-FQEVSTJZSA-N 2 2 421.498 -0.675 20 0 HBADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000467658614 1072021710 /nfs/dbraw/zinc/02/17/10/1072021710.db2.gz HQKZLCBOVCMDAE-HXUWFJFHSA-N 2 2 421.498 -0.675 20 0 HBADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000467767940 1072026325 /nfs/dbraw/zinc/02/63/25/1072026325.db2.gz FJHBUFQHHJEOGD-CEXWTWQISA-N 2 2 424.634 -0.095 20 0 HBADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000467767941 1072026080 /nfs/dbraw/zinc/02/60/80/1072026080.db2.gz FJHBUFQHHJEOGD-GUDVDZBRSA-N 2 2 424.634 -0.095 20 0 HBADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000467767942 1072025989 /nfs/dbraw/zinc/02/59/89/1072025989.db2.gz FJHBUFQHHJEOGD-QRVBRYPASA-N 2 2 424.634 -0.095 20 0 HBADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000467767943 1072026255 /nfs/dbraw/zinc/02/62/55/1072026255.db2.gz FJHBUFQHHJEOGD-QYZOEREBSA-N 2 2 424.634 -0.095 20 0 HBADLP CNc1nc(NCC2([NH+](C)C)CCOCC2)nc(NCC2([NH+](C)C)CCOCC2)[nH+]1 ZINC000467786594 1072027524 /nfs/dbraw/zinc/02/75/24/1072027524.db2.gz YLCRTLSVWLMYSK-UHFFFAOYSA-N 3 2 422.578 -0.776 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468248227 1072055603 /nfs/dbraw/zinc/05/56/03/1072055603.db2.gz YNIJQNVPNOGQSV-AWEZNQCLSA-N 2 2 400.487 -0.578 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000468248228 1072055462 /nfs/dbraw/zinc/05/54/62/1072055462.db2.gz YNIJQNVPNOGQSV-CQSZACIVSA-N 2 2 400.487 -0.578 20 0 HBADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1=O ZINC000468413908 1072067084 /nfs/dbraw/zinc/06/70/84/1072067084.db2.gz BUGLJNKTKAWUKI-GOSISDBHSA-N 2 2 401.511 -0.160 20 0 HBADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1=O ZINC000468413909 1072066976 /nfs/dbraw/zinc/06/69/76/1072066976.db2.gz BUGLJNKTKAWUKI-SFHVURJKSA-N 2 2 401.511 -0.160 20 0 HBADLP CC(C)[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000468490639 1072073939 /nfs/dbraw/zinc/07/39/39/1072073939.db2.gz AINGQXITNHVWIG-UHFFFAOYSA-N 2 2 401.577 -0.257 20 0 HBADLP CC[NH+](CC)CCSCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000468491470 1072074480 /nfs/dbraw/zinc/07/44/80/1072074480.db2.gz HSJWNBQQXXYVMR-UHFFFAOYSA-N 2 2 421.633 -0.302 20 0 HBADLP CN(C(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468813832 1072095922 /nfs/dbraw/zinc/09/59/22/1072095922.db2.gz DHMFJCZJUHRZCR-DLBZAZTESA-N 2 2 407.559 -0.025 20 0 HBADLP CN(C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468813975 1072095989 /nfs/dbraw/zinc/09/59/89/1072095989.db2.gz DHMFJCZJUHRZCR-IAGOWNOFSA-N 2 2 407.559 -0.025 20 0 HBADLP CN(C(=O)[C@H]1CCC[C@H](C(N)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468814091 1072096017 /nfs/dbraw/zinc/09/60/17/1072096017.db2.gz DHMFJCZJUHRZCR-IRXDYDNUSA-N 2 2 407.559 -0.025 20 0 HBADLP CN(C(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468814155 1072095815 /nfs/dbraw/zinc/09/58/15/1072095815.db2.gz DHMFJCZJUHRZCR-SJORKVTESA-N 2 2 407.559 -0.025 20 0 HBADLP CN(C(=O)[C@@H](O)Cc1cnn(C)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000469013010 1072105026 /nfs/dbraw/zinc/10/50/26/1072105026.db2.gz RLQWSTZYAQERCU-SFHVURJKSA-N 2 2 406.531 -0.980 20 0 HBADLP CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000469032068 1072106160 /nfs/dbraw/zinc/10/61/60/1072106160.db2.gz RTXGAQMSFVTUET-UHFFFAOYSA-N 2 2 422.530 -0.986 20 0 HBADLP C[NH+]1CCC(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000469461639 1072125378 /nfs/dbraw/zinc/12/53/78/1072125378.db2.gz VXJAVNUKFQTQIR-UHFFFAOYSA-N 2 2 415.604 -0.370 20 0 HBADLP CC[NH+]1CCN(CC(=O)NC[C@@](C)(NC(=O)CN2CC[NH+](CC)CC2)C(C)C)CC1 ZINC000469510050 1072129672 /nfs/dbraw/zinc/12/96/72/1072129672.db2.gz GTIPIJFLJJCTLP-JOCHJYFZSA-N 2 2 424.634 -0.092 20 0 HBADLP CC[NH+]1CCN(CC(=O)NC[C@](C)(NC(=O)CN2CC[NH+](CC)CC2)C(C)C)CC1 ZINC000469510051 1072129730 /nfs/dbraw/zinc/12/97/30/1072129730.db2.gz GTIPIJFLJJCTLP-QFIPXVFZSA-N 2 2 424.634 -0.092 20 0 HBADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000471157936 1068247112 /nfs/dbraw/zinc/24/71/12/1068247112.db2.gz WKJQSPBJXPZDJH-UHFFFAOYSA-N 2 2 420.539 -0.062 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)ccn2)CC1 ZINC000471216890 1068269366 /nfs/dbraw/zinc/26/93/66/1068269366.db2.gz SOYCFJPLAMBLED-UHFFFAOYSA-N 2 2 400.483 -0.286 20 0 HBADLP O=C(NCC[NH+]1CCCOCC1)c1ccnc(C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000471396503 1068331086 /nfs/dbraw/zinc/33/10/86/1068331086.db2.gz OXZBBCVWGMXFHH-UHFFFAOYSA-N 2 2 419.526 -0.014 20 0 HBADLP O=C(NCC[NH+]1CCCOCC1)c1ccnc(C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000471396503 1068331072 /nfs/dbraw/zinc/33/10/72/1068331072.db2.gz OXZBBCVWGMXFHH-UHFFFAOYSA-N 2 2 419.526 -0.014 20 0 HBADLP O=C(NCC[N@H+]1CCCOCC1)c1ccnc(C(=O)NCC[NH+]2CCCOCC2)c1 ZINC000471396503 1068331059 /nfs/dbraw/zinc/33/10/59/1068331059.db2.gz OXZBBCVWGMXFHH-UHFFFAOYSA-N 2 2 419.526 -0.014 20 0 HBADLP O=C(NCC[N@@H+]1CCCOCC1)c1ccnc(C(=O)NCC[NH+]2CCCOCC2)c1 ZINC000471396503 1068331046 /nfs/dbraw/zinc/33/10/46/1068331046.db2.gz OXZBBCVWGMXFHH-UHFFFAOYSA-N 2 2 419.526 -0.014 20 0 HBADLP C[NH+](C)CCOCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000471664590 1068492980 /nfs/dbraw/zinc/49/29/80/1068492980.db2.gz NDGGMPJBABXIJA-UHFFFAOYSA-N 2 2 407.519 -0.277 20 0 HBADLP C[NH+](C)CCOCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000471664590 1068492975 /nfs/dbraw/zinc/49/29/75/1068492975.db2.gz NDGGMPJBABXIJA-UHFFFAOYSA-N 2 2 407.519 -0.277 20 0 HBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000472053030 1068626073 /nfs/dbraw/zinc/62/60/73/1068626073.db2.gz NQWZMIFQLNQJIZ-MSOLQXFVSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000472053031 1068625894 /nfs/dbraw/zinc/62/58/94/1068625894.db2.gz NQWZMIFQLNQJIZ-QZTJIDSGSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000472053032 1068625993 /nfs/dbraw/zinc/62/59/93/1068625993.db2.gz NQWZMIFQLNQJIZ-ROUUACIJSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000472053033 1068626150 /nfs/dbraw/zinc/62/61/50/1068626150.db2.gz NQWZMIFQLNQJIZ-ZWKOTPCHSA-N 2 2 424.542 -0.205 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000472146027 1068649427 /nfs/dbraw/zinc/64/94/27/1068649427.db2.gz PVKOYZDKLRUQRV-RBUKOAKNSA-N 2 2 406.531 -0.197 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000472146027 1068649419 /nfs/dbraw/zinc/64/94/19/1068649419.db2.gz PVKOYZDKLRUQRV-RBUKOAKNSA-N 2 2 406.531 -0.197 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000472258187 1068726162 /nfs/dbraw/zinc/72/61/62/1068726162.db2.gz JMDNBQGGOCMCMR-AWEZNQCLSA-N 2 2 400.487 -0.401 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000472258187 1068726152 /nfs/dbraw/zinc/72/61/52/1068726152.db2.gz JMDNBQGGOCMCMR-AWEZNQCLSA-N 2 2 400.487 -0.401 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000472258191 1068726284 /nfs/dbraw/zinc/72/62/84/1068726284.db2.gz JMDNBQGGOCMCMR-CQSZACIVSA-N 2 2 400.487 -0.401 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000472258191 1068726273 /nfs/dbraw/zinc/72/62/73/1068726273.db2.gz JMDNBQGGOCMCMR-CQSZACIVSA-N 2 2 400.487 -0.401 20 0 HBADLP COCC[NH+]1CCN(c2cc(N3CC[NH+](CCOC)CC3)n3ncnc3n2)CC1 ZINC000472355482 1068914483 /nfs/dbraw/zinc/91/44/83/1068914483.db2.gz ZHPUNEKJJBVCOJ-UHFFFAOYSA-N 2 2 404.519 -0.339 20 0 HBADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472444212 1068951600 /nfs/dbraw/zinc/95/16/00/1068951600.db2.gz PFQDTEHXDNTKQF-MRXNPFEDSA-N 2 2 404.581 -0.464 20 0 HBADLP CCC[N@@H+](CC)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000473169518 1069240344 /nfs/dbraw/zinc/24/03/44/1069240344.db2.gz CLYXVQBYHUOVPN-UHFFFAOYSA-N 2 2 404.581 -0.462 20 0 HBADLP CCC[N@H+](CC)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000473169518 1069240327 /nfs/dbraw/zinc/24/03/27/1069240327.db2.gz CLYXVQBYHUOVPN-UHFFFAOYSA-N 2 2 404.581 -0.462 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000473427414 1069379592 /nfs/dbraw/zinc/37/95/92/1069379592.db2.gz MUOIVPSBINWSQE-GOSISDBHSA-N 2 2 423.558 -0.678 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000473427415 1069379282 /nfs/dbraw/zinc/37/92/82/1069379282.db2.gz MUOIVPSBINWSQE-SFHVURJKSA-N 2 2 423.558 -0.678 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000473801663 1070409165 /nfs/dbraw/zinc/40/91/65/1070409165.db2.gz CBJINNZOAGPKLD-UHFFFAOYSA-N 2 2 407.519 -0.157 20 0 HBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000473950750 1070629436 /nfs/dbraw/zinc/62/94/36/1070629436.db2.gz YUJDKXSEVFELHE-UHFFFAOYSA-N 2 2 410.563 -0.218 20 0 HBADLP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000474085624 1071078913 /nfs/dbraw/zinc/07/89/13/1071078913.db2.gz XJRZKBMLQXUDLT-UHFFFAOYSA-N 2 2 412.556 -0.025 20 0 HBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000474098896 1071084560 /nfs/dbraw/zinc/08/45/60/1071084560.db2.gz ONXZXBAYOYCSQQ-KDURUIRLSA-N 2 2 422.618 -0.339 20 0 HBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000474098899 1071084211 /nfs/dbraw/zinc/08/42/11/1071084211.db2.gz ONXZXBAYOYCSQQ-OALUTQOASA-N 2 2 422.618 -0.339 20 0 HBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CCC1 ZINC000474098901 1071084446 /nfs/dbraw/zinc/08/44/46/1071084446.db2.gz ONXZXBAYOYCSQQ-RTBURBONSA-N 2 2 422.618 -0.339 20 0 HBADLP CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000474573106 1071137307 /nfs/dbraw/zinc/13/73/07/1071137307.db2.gz HUCOSHCBTBRFEA-UHFFFAOYSA-N 2 2 400.549 -0.450 20 0 HBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475553488 1071308169 /nfs/dbraw/zinc/30/81/69/1071308169.db2.gz KNLBGQKSCQFHHI-UHFFFAOYSA-N 2 2 419.530 -0.013 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000475705035 1069160714 /nfs/dbraw/zinc/16/07/14/1069160714.db2.gz ZCYOKFOPOKBWBC-INIZCTEOSA-N 2 2 407.519 -0.076 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000475705035 1069160707 /nfs/dbraw/zinc/16/07/07/1069160707.db2.gz ZCYOKFOPOKBWBC-INIZCTEOSA-N 2 2 407.519 -0.076 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000475705036 1069160553 /nfs/dbraw/zinc/16/05/53/1069160553.db2.gz ZCYOKFOPOKBWBC-MRXNPFEDSA-N 2 2 407.519 -0.076 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000475705036 1069160550 /nfs/dbraw/zinc/16/05/50/1069160550.db2.gz ZCYOKFOPOKBWBC-MRXNPFEDSA-N 2 2 407.519 -0.076 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475708981 1069162395 /nfs/dbraw/zinc/16/23/95/1069162395.db2.gz IGSWCQNOQPFETK-UHFFFAOYSA-N 2 2 407.519 -0.111 20 0 HBADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)CC1 ZINC000476517558 1069431455 /nfs/dbraw/zinc/43/14/55/1069431455.db2.gz ZMHRVQAXJYBYPP-GOSISDBHSA-N 2 2 417.620 -0.126 20 0 HBADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)CC1 ZINC000476517558 1069431451 /nfs/dbraw/zinc/43/14/51/1069431451.db2.gz ZMHRVQAXJYBYPP-GOSISDBHSA-N 2 2 417.620 -0.126 20 0 HBADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)CC1 ZINC000476517559 1069431547 /nfs/dbraw/zinc/43/15/47/1069431547.db2.gz ZMHRVQAXJYBYPP-SFHVURJKSA-N 2 2 417.620 -0.126 20 0 HBADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C2)CC1 ZINC000476517559 1069431543 /nfs/dbraw/zinc/43/15/43/1069431543.db2.gz ZMHRVQAXJYBYPP-SFHVURJKSA-N 2 2 417.620 -0.126 20 0 HBADLP COCCCS(=O)(=O)NCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000476823795 1069499486 /nfs/dbraw/zinc/49/94/86/1069499486.db2.gz HLHPEPXIXGXMAX-UHFFFAOYSA-N 2 2 404.577 -0.182 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828592 1069500505 /nfs/dbraw/zinc/50/05/05/1069500505.db2.gz NPBDDDXDWIJCKJ-RDGPPVDQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828592 1069500501 /nfs/dbraw/zinc/50/05/01/1069500501.db2.gz NPBDDDXDWIJCKJ-RDGPPVDQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000476828592 1069500499 /nfs/dbraw/zinc/50/04/99/1069500499.db2.gz NPBDDDXDWIJCKJ-RDGPPVDQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000476828592 1069500494 /nfs/dbraw/zinc/50/04/94/1069500494.db2.gz NPBDDDXDWIJCKJ-RDGPPVDQSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828593 1069500336 /nfs/dbraw/zinc/50/03/36/1069500336.db2.gz NPBDDDXDWIJCKJ-SEXKYXSUSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828593 1069500328 /nfs/dbraw/zinc/50/03/28/1069500328.db2.gz NPBDDDXDWIJCKJ-SEXKYXSUSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCCC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828593 1069500321 /nfs/dbraw/zinc/50/03/21/1069500321.db2.gz NPBDDDXDWIJCKJ-SEXKYXSUSA-N 2 2 412.575 -0.016 20 0 HBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000476828593 1069500311 /nfs/dbraw/zinc/50/03/11/1069500311.db2.gz NPBDDDXDWIJCKJ-SEXKYXSUSA-N 2 2 412.575 -0.016 20 0 HBADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000477027231 1069580530 /nfs/dbraw/zinc/58/05/30/1069580530.db2.gz JZCFRWMOGLROIJ-AWEZNQCLSA-N 2 2 402.503 -0.142 20 0 HBADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000477027243 1069580384 /nfs/dbraw/zinc/58/03/84/1069580384.db2.gz JZCFRWMOGLROIJ-CQSZACIVSA-N 2 2 402.503 -0.142 20 0 HBADLP CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000477221138 1069548394 /nfs/dbraw/zinc/54/83/94/1069548394.db2.gz ZJLCNEILJUGDKE-MSOLQXFVSA-N 2 2 410.559 -0.018 20 0 HBADLP CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000477221139 1069548331 /nfs/dbraw/zinc/54/83/31/1069548331.db2.gz ZJLCNEILJUGDKE-QZTJIDSGSA-N 2 2 410.559 -0.018 20 0 HBADLP CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000477221141 1069548438 /nfs/dbraw/zinc/54/84/38/1069548438.db2.gz ZJLCNEILJUGDKE-ROUUACIJSA-N 2 2 410.559 -0.018 20 0 HBADLP CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000477221143 1069548311 /nfs/dbraw/zinc/54/83/11/1069548311.db2.gz ZJLCNEILJUGDKE-ZWKOTPCHSA-N 2 2 410.559 -0.018 20 0 HBADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000477473922 1069575323 /nfs/dbraw/zinc/57/53/23/1069575323.db2.gz ILJADHNMBZYTJO-UHFFFAOYSA-N 2 2 414.576 -0.154 20 0 HBADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000477587402 1069587439 /nfs/dbraw/zinc/58/74/39/1069587439.db2.gz FHVNPRXUSSYAKP-UHFFFAOYSA-N 2 2 414.576 -0.108 20 0 HBADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000478484369 1069846891 /nfs/dbraw/zinc/84/68/91/1069846891.db2.gz RBSIUJXAZUQHIS-KRWDZBQOSA-N 2 2 417.510 -0.081 20 0 HBADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000478484374 1069846943 /nfs/dbraw/zinc/84/69/43/1069846943.db2.gz RBSIUJXAZUQHIS-QGZVFWFLSA-N 2 2 417.510 -0.081 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478744228 1069891358 /nfs/dbraw/zinc/89/13/58/1069891358.db2.gz HSVOFQIFRBVVTL-UHFFFAOYSA-N 2 2 419.526 -0.349 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478744228 1069891330 /nfs/dbraw/zinc/89/13/30/1069891330.db2.gz HSVOFQIFRBVVTL-UHFFFAOYSA-N 2 2 419.526 -0.349 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000478775943 1069895334 /nfs/dbraw/zinc/89/53/34/1069895334.db2.gz WHBZYZJWSIQOKF-IBGZPJMESA-N 2 2 402.543 -0.266 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000478775943 1069895310 /nfs/dbraw/zinc/89/53/10/1069895310.db2.gz WHBZYZJWSIQOKF-IBGZPJMESA-N 2 2 402.543 -0.266 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000478775945 1069895738 /nfs/dbraw/zinc/89/57/38/1069895738.db2.gz WHBZYZJWSIQOKF-LJQANCHMSA-N 2 2 402.543 -0.266 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000478775945 1069895719 /nfs/dbraw/zinc/89/57/19/1069895719.db2.gz WHBZYZJWSIQOKF-LJQANCHMSA-N 2 2 402.543 -0.266 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000478837630 1069907471 /nfs/dbraw/zinc/90/74/71/1069907471.db2.gz RZILFPDEAQRULR-IBGZPJMESA-N 2 2 403.527 -0.138 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000478837630 1069907464 /nfs/dbraw/zinc/90/74/64/1069907464.db2.gz RZILFPDEAQRULR-IBGZPJMESA-N 2 2 403.527 -0.138 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000478837636 1069907305 /nfs/dbraw/zinc/90/73/05/1069907305.db2.gz RZILFPDEAQRULR-LJQANCHMSA-N 2 2 403.527 -0.138 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000478837636 1069907296 /nfs/dbraw/zinc/90/72/96/1069907296.db2.gz RZILFPDEAQRULR-LJQANCHMSA-N 2 2 403.527 -0.138 20 0 HBADLP C[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000478901481 1069914958 /nfs/dbraw/zinc/91/49/58/1069914958.db2.gz MRWDOBPIKQMJAK-MOPGFXCFSA-N 2 2 424.634 -0.141 20 0 HBADLP C[C@@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000478901485 1069915070 /nfs/dbraw/zinc/91/50/70/1069915070.db2.gz MRWDOBPIKQMJAK-OALUTQOASA-N 2 2 424.634 -0.141 20 0 HBADLP C[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000478901487 1069914760 /nfs/dbraw/zinc/91/47/60/1069914760.db2.gz MRWDOBPIKQMJAK-RBUKOAKNSA-N 2 2 424.634 -0.141 20 0 HBADLP C[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000478901489 1069914802 /nfs/dbraw/zinc/91/48/02/1069914802.db2.gz MRWDOBPIKQMJAK-RTBURBONSA-N 2 2 424.634 -0.141 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000479053728 1069936568 /nfs/dbraw/zinc/93/65/68/1069936568.db2.gz ZWIKZCYEESVFNR-UHFFFAOYSA-N 2 2 403.527 -0.143 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000479053728 1069936562 /nfs/dbraw/zinc/93/65/62/1069936562.db2.gz ZWIKZCYEESVFNR-UHFFFAOYSA-N 2 2 403.527 -0.143 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000479071121 1069940027 /nfs/dbraw/zinc/94/00/27/1069940027.db2.gz NZBVYVVVAIXBSC-UHFFFAOYSA-N 2 2 421.567 -0.109 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000479071121 1069940018 /nfs/dbraw/zinc/94/00/18/1069940018.db2.gz NZBVYVVVAIXBSC-UHFFFAOYSA-N 2 2 421.567 -0.109 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000479594619 1070001760 /nfs/dbraw/zinc/00/17/60/1070001760.db2.gz SOTFAKXHAGQCBZ-PMACEKPBSA-N 2 2 418.538 -0.081 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000479594619 1070001745 /nfs/dbraw/zinc/00/17/45/1070001745.db2.gz SOTFAKXHAGQCBZ-PMACEKPBSA-N 2 2 418.538 -0.081 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000479594622 1070001549 /nfs/dbraw/zinc/00/15/49/1070001549.db2.gz SOTFAKXHAGQCBZ-UXHICEINSA-N 2 2 418.538 -0.081 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000479594622 1070001533 /nfs/dbraw/zinc/00/15/33/1070001533.db2.gz SOTFAKXHAGQCBZ-UXHICEINSA-N 2 2 418.538 -0.081 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000479594625 1070001635 /nfs/dbraw/zinc/00/16/35/1070001635.db2.gz SOTFAKXHAGQCBZ-VQTJNVASSA-N 2 2 418.538 -0.081 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000479594625 1070001618 /nfs/dbraw/zinc/00/16/18/1070001618.db2.gz SOTFAKXHAGQCBZ-VQTJNVASSA-N 2 2 418.538 -0.081 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000479594627 1070001924 /nfs/dbraw/zinc/00/19/24/1070001924.db2.gz SOTFAKXHAGQCBZ-WOJBJXKFSA-N 2 2 418.538 -0.081 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000479594627 1070001914 /nfs/dbraw/zinc/00/19/14/1070001914.db2.gz SOTFAKXHAGQCBZ-WOJBJXKFSA-N 2 2 418.538 -0.081 20 0 HBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000479773719 1070015289 /nfs/dbraw/zinc/01/52/89/1070015289.db2.gz FCAJOWFCRFYQNY-FCEWJHQRSA-N 2 2 400.479 -0.352 20 0 HBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000479773719 1070015277 /nfs/dbraw/zinc/01/52/77/1070015277.db2.gz FCAJOWFCRFYQNY-FCEWJHQRSA-N 2 2 400.479 -0.352 20 0 HBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000479773724 1070016442 /nfs/dbraw/zinc/01/64/42/1070016442.db2.gz FCAJOWFCRFYQNY-JTDSTZFVSA-N 2 2 400.479 -0.352 20 0 HBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000479773724 1070016426 /nfs/dbraw/zinc/01/64/26/1070016426.db2.gz FCAJOWFCRFYQNY-JTDSTZFVSA-N 2 2 400.479 -0.352 20 0 HBADLP c1nc2nc(=NCCC[NH+]3CCOCC3)cc(NCCC[NH+]3CCOCC3)n2[nH]1 ZINC000479854770 1069327045 /nfs/dbraw/zinc/32/70/45/1069327045.db2.gz WRXGSOUUIMWEKM-UHFFFAOYSA-N 2 2 404.519 -0.185 20 0 HBADLP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000480102084 1070065333 /nfs/dbraw/zinc/06/53/33/1070065333.db2.gz ZJDRBWUSZMVSSA-IBGZPJMESA-N 2 2 406.527 -0.094 20 0 HBADLP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000480102084 1070065317 /nfs/dbraw/zinc/06/53/17/1070065317.db2.gz ZJDRBWUSZMVSSA-IBGZPJMESA-N 2 2 406.527 -0.094 20 0 HBADLP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000480102085 1070066075 /nfs/dbraw/zinc/06/60/75/1070066075.db2.gz ZJDRBWUSZMVSSA-LJQANCHMSA-N 2 2 406.527 -0.094 20 0 HBADLP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000480102085 1070066058 /nfs/dbraw/zinc/06/60/58/1070066058.db2.gz ZJDRBWUSZMVSSA-LJQANCHMSA-N 2 2 406.527 -0.094 20 0 HBADLP c1nc2nc(N3CC[NH+]4CCOC[C@H]4C3)cc(N3CC[N@H+]4CCOC[C@@H]4C3)n2n1 ZINC000480118178 1069331081 /nfs/dbraw/zinc/33/10/81/1069331081.db2.gz NSNJNKNZSAKLGW-CVEARBPZSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[NH+]4CCOC[C@H]4C3)cc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2n1 ZINC000480118178 1069331066 /nfs/dbraw/zinc/33/10/66/1069331066.db2.gz NSNJNKNZSAKLGW-CVEARBPZSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[N@@H+]4CCOC[C@H]4C3)cc(N3CC[NH+]4CCOC[C@@H]4C3)n2n1 ZINC000480118178 1069331052 /nfs/dbraw/zinc/33/10/52/1069331052.db2.gz NSNJNKNZSAKLGW-CVEARBPZSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[N@H+]4CCOC[C@H]4C3)cc(N3CC[NH+]4CCOC[C@@H]4C3)n2n1 ZINC000480118178 1069331038 /nfs/dbraw/zinc/33/10/38/1069331038.db2.gz NSNJNKNZSAKLGW-CVEARBPZSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[NH+]4CCOC[C@@H]4C3)cc(N3CC[N@H+]4CCOC[C@@H]4C3)n2n1 ZINC000480118180 1069330381 /nfs/dbraw/zinc/33/03/81/1069330381.db2.gz NSNJNKNZSAKLGW-HOTGVXAUSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[NH+]4CCOC[C@@H]4C3)cc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2n1 ZINC000480118180 1069330367 /nfs/dbraw/zinc/33/03/67/1069330367.db2.gz NSNJNKNZSAKLGW-HOTGVXAUSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[N@@H+]4CCOC[C@@H]4C3)cc(N3CC[NH+]4CCOC[C@@H]4C3)n2n1 ZINC000480118180 1069330352 /nfs/dbraw/zinc/33/03/52/1069330352.db2.gz NSNJNKNZSAKLGW-HOTGVXAUSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[N@H+]4CCOC[C@@H]4C3)cc(N3CC[NH+]4CCOC[C@@H]4C3)n2n1 ZINC000480118180 1069330342 /nfs/dbraw/zinc/33/03/42/1069330342.db2.gz NSNJNKNZSAKLGW-HOTGVXAUSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[NH+]4CCOC[C@H]4C3)cc(N3CC[N@H+]4CCOC[C@H]4C3)n2n1 ZINC000480118183 1069330605 /nfs/dbraw/zinc/33/06/05/1069330605.db2.gz NSNJNKNZSAKLGW-HZPDHXFCSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[NH+]4CCOC[C@H]4C3)cc(N3CC[N@@H+]4CCOC[C@H]4C3)n2n1 ZINC000480118183 1069330590 /nfs/dbraw/zinc/33/05/90/1069330590.db2.gz NSNJNKNZSAKLGW-HZPDHXFCSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[N@@H+]4CCOC[C@H]4C3)cc(N3CC[NH+]4CCOC[C@H]4C3)n2n1 ZINC000480118183 1069330576 /nfs/dbraw/zinc/33/05/76/1069330576.db2.gz NSNJNKNZSAKLGW-HZPDHXFCSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[N@H+]4CCOC[C@H]4C3)cc(N3CC[NH+]4CCOC[C@H]4C3)n2n1 ZINC000480118183 1069330564 /nfs/dbraw/zinc/33/05/64/1069330564.db2.gz NSNJNKNZSAKLGW-HZPDHXFCSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[NH+]4CCOC[C@@H]4C3)cc(N3CC[N@H+]4CCOC[C@H]4C3)n2n1 ZINC000480118186 1069330890 /nfs/dbraw/zinc/33/08/90/1069330890.db2.gz NSNJNKNZSAKLGW-JKSUJKDBSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[NH+]4CCOC[C@@H]4C3)cc(N3CC[N@@H+]4CCOC[C@H]4C3)n2n1 ZINC000480118186 1069330878 /nfs/dbraw/zinc/33/08/78/1069330878.db2.gz NSNJNKNZSAKLGW-JKSUJKDBSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[N@@H+]4CCOC[C@@H]4C3)cc(N3CC[NH+]4CCOC[C@H]4C3)n2n1 ZINC000480118186 1069330863 /nfs/dbraw/zinc/33/08/63/1069330863.db2.gz NSNJNKNZSAKLGW-JKSUJKDBSA-N 2 2 400.487 -0.834 20 0 HBADLP c1nc2nc(N3CC[N@H+]4CCOC[C@@H]4C3)cc(N3CC[NH+]4CCOC[C@H]4C3)n2n1 ZINC000480118186 1069330851 /nfs/dbraw/zinc/33/08/51/1069330851.db2.gz NSNJNKNZSAKLGW-JKSUJKDBSA-N 2 2 400.487 -0.834 20 0 HBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[C@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000480170251 1070077118 /nfs/dbraw/zinc/07/71/18/1070077118.db2.gz NQRZWLHZTNEOIG-FGYAAKKASA-N 2 2 424.634 -0.237 20 0 HBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000480170254 1070076669 /nfs/dbraw/zinc/07/66/69/1070076669.db2.gz NQRZWLHZTNEOIG-IYWMVGAKSA-N 2 2 424.634 -0.237 20 0 HBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000480170257 1070076878 /nfs/dbraw/zinc/07/68/78/1070076878.db2.gz NQRZWLHZTNEOIG-UAFMIMERSA-N 2 2 424.634 -0.237 20 0 HBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[C@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000480170262 1070076972 /nfs/dbraw/zinc/07/69/72/1070076972.db2.gz NQRZWLHZTNEOIG-WTGUMLROSA-N 2 2 424.634 -0.237 20 0 HBADLP CNc1nc(N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194629 1070077918 /nfs/dbraw/zinc/07/79/18/1070077918.db2.gz IHRUNAXPURCUSR-LUKYLMHMSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194629 1070077898 /nfs/dbraw/zinc/07/78/98/1070077898.db2.gz IHRUNAXPURCUSR-LUKYLMHMSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000480194629 1070077881 /nfs/dbraw/zinc/07/78/81/1070077881.db2.gz IHRUNAXPURCUSR-LUKYLMHMSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000480194629 1070077853 /nfs/dbraw/zinc/07/78/53/1070077853.db2.gz IHRUNAXPURCUSR-LUKYLMHMSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[NH+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194692 1070078329 /nfs/dbraw/zinc/07/83/29/1070078329.db2.gz IHRUNAXPURCUSR-WNKDZCFJSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[NH+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194692 1070078313 /nfs/dbraw/zinc/07/83/13/1070078313.db2.gz IHRUNAXPURCUSR-WNKDZCFJSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194692 1070078299 /nfs/dbraw/zinc/07/82/99/1070078299.db2.gz IHRUNAXPURCUSR-WNKDZCFJSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194692 1070078282 /nfs/dbraw/zinc/07/82/82/1070078282.db2.gz IHRUNAXPURCUSR-WNKDZCFJSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[NH+](C[C@H](C)O)C[C@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194693 1070079109 /nfs/dbraw/zinc/07/91/09/1070079109.db2.gz IHRUNAXPURCUSR-YVSFHVDLSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[NH+](C[C@H](C)O)C[C@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194693 1070079088 /nfs/dbraw/zinc/07/90/88/1070079088.db2.gz IHRUNAXPURCUSR-YVSFHVDLSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194693 1070079069 /nfs/dbraw/zinc/07/90/69/1070079069.db2.gz IHRUNAXPURCUSR-YVSFHVDLSA-N 2 2 422.578 -0.882 20 0 HBADLP CNc1nc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194693 1070079049 /nfs/dbraw/zinc/07/90/49/1070079049.db2.gz IHRUNAXPURCUSR-YVSFHVDLSA-N 2 2 422.578 -0.882 20 0 HBADLP COc1nc(N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195446 1070077659 /nfs/dbraw/zinc/07/76/59/1070077659.db2.gz ILULGTNKCRDBMR-LUKYLMHMSA-N 2 2 423.562 -0.337 20 0 HBADLP COc1nc(N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195446 1070077644 /nfs/dbraw/zinc/07/76/44/1070077644.db2.gz ILULGTNKCRDBMR-LUKYLMHMSA-N 2 2 423.562 -0.337 20 0 HBADLP COc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000480195446 1070077626 /nfs/dbraw/zinc/07/76/26/1070077626.db2.gz ILULGTNKCRDBMR-LUKYLMHMSA-N 2 2 423.562 -0.337 20 0 HBADLP COc1nc(N2CC[NH+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195448 1070077434 /nfs/dbraw/zinc/07/74/34/1070077434.db2.gz ILULGTNKCRDBMR-WNKDZCFJSA-N 2 2 423.562 -0.337 20 0 HBADLP COc1nc(N2CC[NH+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195448 1070077413 /nfs/dbraw/zinc/07/74/13/1070077413.db2.gz ILULGTNKCRDBMR-WNKDZCFJSA-N 2 2 423.562 -0.337 20 0 HBADLP COc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195448 1070077392 /nfs/dbraw/zinc/07/73/92/1070077392.db2.gz ILULGTNKCRDBMR-WNKDZCFJSA-N 2 2 423.562 -0.337 20 0 HBADLP COc1nc(N2CC[NH+](C[C@H](C)O)C[C@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195449 1070078043 /nfs/dbraw/zinc/07/80/43/1070078043.db2.gz ILULGTNKCRDBMR-YVSFHVDLSA-N 2 2 423.562 -0.337 20 0 HBADLP COc1nc(N2CC[NH+](C[C@H](C)O)C[C@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195449 1070078021 /nfs/dbraw/zinc/07/80/21/1070078021.db2.gz ILULGTNKCRDBMR-YVSFHVDLSA-N 2 2 423.562 -0.337 20 0 HBADLP COc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195449 1070078003 /nfs/dbraw/zinc/07/80/03/1070078003.db2.gz ILULGTNKCRDBMR-YVSFHVDLSA-N 2 2 423.562 -0.337 20 0 HBADLP c1nc2nc(=NCC[N@H+]3CCCOCC3)cc(NCC[NH+]3CCCOCC3)n2[nH]1 ZINC000480325867 1069333379 /nfs/dbraw/zinc/33/33/79/1069333379.db2.gz JUMLHYRTLPKTGT-UHFFFAOYSA-N 2 2 404.519 -0.185 20 0 HBADLP c1nc2nc(=NCC[N@@H+]3CCCOCC3)cc(NCC[NH+]3CCCOCC3)n2[nH]1 ZINC000480325867 1069333374 /nfs/dbraw/zinc/33/33/74/1069333374.db2.gz JUMLHYRTLPKTGT-UHFFFAOYSA-N 2 2 404.519 -0.185 20 0 HBADLP c1nc2nc(=NCC[NH+]3CCCOCC3)cc(NCC[N@H+]3CCCOCC3)n2[nH]1 ZINC000480325867 1069333355 /nfs/dbraw/zinc/33/33/55/1069333355.db2.gz JUMLHYRTLPKTGT-UHFFFAOYSA-N 2 2 404.519 -0.185 20 0 HBADLP c1nc2nc(=NCC[NH+]3CCCOCC3)cc(NCC[N@@H+]3CCCOCC3)n2[nH]1 ZINC000480325867 1069333333 /nfs/dbraw/zinc/33/33/33/1069333333.db2.gz JUMLHYRTLPKTGT-UHFFFAOYSA-N 2 2 404.519 -0.185 20 0 HBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000480583148 1070120571 /nfs/dbraw/zinc/12/05/71/1070120571.db2.gz OCLKORWOTSZLMM-KRWDZBQOSA-N 2 2 422.555 -0.961 20 0 HBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000480583148 1070120566 /nfs/dbraw/zinc/12/05/66/1070120566.db2.gz OCLKORWOTSZLMM-KRWDZBQOSA-N 2 2 422.555 -0.961 20 0 HBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000480583161 1070120519 /nfs/dbraw/zinc/12/05/19/1070120519.db2.gz OCLKORWOTSZLMM-QGZVFWFLSA-N 2 2 422.555 -0.961 20 0 HBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000480583161 1070120511 /nfs/dbraw/zinc/12/05/11/1070120511.db2.gz OCLKORWOTSZLMM-QGZVFWFLSA-N 2 2 422.555 -0.961 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481756362 1070256034 /nfs/dbraw/zinc/25/60/34/1070256034.db2.gz MSIOHTUYVZMUGS-KRWDZBQOSA-N 2 2 416.526 -0.034 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481756362 1070256028 /nfs/dbraw/zinc/25/60/28/1070256028.db2.gz MSIOHTUYVZMUGS-KRWDZBQOSA-N 2 2 416.526 -0.034 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481756363 1070256345 /nfs/dbraw/zinc/25/63/45/1070256345.db2.gz MSIOHTUYVZMUGS-QGZVFWFLSA-N 2 2 416.526 -0.034 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481756363 1070256331 /nfs/dbraw/zinc/25/63/31/1070256331.db2.gz MSIOHTUYVZMUGS-QGZVFWFLSA-N 2 2 416.526 -0.034 20 0 HBADLP CN(C(=O)CNC(=O)c1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000481765374 1070262172 /nfs/dbraw/zinc/26/21/72/1070262172.db2.gz SONRRTMAFMXYKN-UHFFFAOYSA-N 2 2 416.526 -0.492 20 0 HBADLP Cc1cccc(N2CCC(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2)[nH+]1 ZINC000481777165 1070263347 /nfs/dbraw/zinc/26/33/47/1070263347.db2.gz HYRQRMXDRIZRTM-GOSISDBHSA-N 2 2 419.526 -0.373 20 0 HBADLP Cc1cccc(N2CCC(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2)[nH+]1 ZINC000481777172 1070263449 /nfs/dbraw/zinc/26/34/49/1070263449.db2.gz HYRQRMXDRIZRTM-SFHVURJKSA-N 2 2 419.526 -0.373 20 0 HBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000483165476 1069554179 /nfs/dbraw/zinc/55/41/79/1069554179.db2.gz CBTVKSYHFOFLHN-KRWDZBQOSA-N 2 2 419.530 -0.014 20 0 HBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000483165476 1069554169 /nfs/dbraw/zinc/55/41/69/1069554169.db2.gz CBTVKSYHFOFLHN-KRWDZBQOSA-N 2 2 419.530 -0.014 20 0 HBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000483165477 1070325006 /nfs/dbraw/zinc/32/50/06/1070325006.db2.gz CBTVKSYHFOFLHN-QGZVFWFLSA-N 2 2 419.530 -0.014 20 0 HBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000483165477 1070324985 /nfs/dbraw/zinc/32/49/85/1070324985.db2.gz CBTVKSYHFOFLHN-QGZVFWFLSA-N 2 2 419.530 -0.014 20 0 HBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000483221740 1070327184 /nfs/dbraw/zinc/32/71/84/1070327184.db2.gz AOCPOFHEBGYNDP-GOSISDBHSA-N 2 2 419.530 -0.014 20 0 HBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000483221740 1070327167 /nfs/dbraw/zinc/32/71/67/1070327167.db2.gz AOCPOFHEBGYNDP-GOSISDBHSA-N 2 2 419.530 -0.014 20 0 HBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000483221761 1070326874 /nfs/dbraw/zinc/32/68/74/1070326874.db2.gz AOCPOFHEBGYNDP-SFHVURJKSA-N 2 2 419.530 -0.014 20 0 HBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000483221761 1070326855 /nfs/dbraw/zinc/32/68/55/1070326855.db2.gz AOCPOFHEBGYNDP-SFHVURJKSA-N 2 2 419.530 -0.014 20 0 HBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000483479929 1070337666 /nfs/dbraw/zinc/33/76/66/1070337666.db2.gz WWIWYRCVXJIGLE-GOSISDBHSA-N 2 2 415.542 -0.246 20 0 HBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000483479929 1070337645 /nfs/dbraw/zinc/33/76/45/1070337645.db2.gz WWIWYRCVXJIGLE-GOSISDBHSA-N 2 2 415.542 -0.246 20 0 HBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000483479932 1070336994 /nfs/dbraw/zinc/33/69/94/1070336994.db2.gz WWIWYRCVXJIGLE-SFHVURJKSA-N 2 2 415.542 -0.246 20 0 HBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000483479932 1070336981 /nfs/dbraw/zinc/33/69/81/1070336981.db2.gz WWIWYRCVXJIGLE-SFHVURJKSA-N 2 2 415.542 -0.246 20 0 HBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483259 1069398261 /nfs/dbraw/zinc/39/82/61/1069398261.db2.gz FHQGIGDENQTYFP-MOPGFXCFSA-N 2 2 407.559 -0.595 20 0 HBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483259 1069398251 /nfs/dbraw/zinc/39/82/51/1069398251.db2.gz FHQGIGDENQTYFP-MOPGFXCFSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483259 1069398248 /nfs/dbraw/zinc/39/82/48/1069398248.db2.gz FHQGIGDENQTYFP-MOPGFXCFSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483259 1069398238 /nfs/dbraw/zinc/39/82/38/1069398238.db2.gz FHQGIGDENQTYFP-MOPGFXCFSA-N 2 2 407.559 -0.595 20 0 HBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483260 1069398776 /nfs/dbraw/zinc/39/87/76/1069398776.db2.gz FHQGIGDENQTYFP-OALUTQOASA-N 2 2 407.559 -0.595 20 0 HBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483260 1069398762 /nfs/dbraw/zinc/39/87/62/1069398762.db2.gz FHQGIGDENQTYFP-OALUTQOASA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483260 1069398751 /nfs/dbraw/zinc/39/87/51/1069398751.db2.gz FHQGIGDENQTYFP-OALUTQOASA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@@H]21 ZINC000483483260 1069398739 /nfs/dbraw/zinc/39/87/39/1069398739.db2.gz FHQGIGDENQTYFP-OALUTQOASA-N 2 2 407.559 -0.595 20 0 HBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483261 1069399044 /nfs/dbraw/zinc/39/90/44/1069399044.db2.gz FHQGIGDENQTYFP-RBUKOAKNSA-N 2 2 407.559 -0.595 20 0 HBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483261 1069399035 /nfs/dbraw/zinc/39/90/35/1069399035.db2.gz FHQGIGDENQTYFP-RBUKOAKNSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483261 1069399026 /nfs/dbraw/zinc/39/90/26/1069399026.db2.gz FHQGIGDENQTYFP-RBUKOAKNSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483261 1069399018 /nfs/dbraw/zinc/39/90/18/1069399018.db2.gz FHQGIGDENQTYFP-RBUKOAKNSA-N 2 2 407.559 -0.595 20 0 HBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483262 1069398913 /nfs/dbraw/zinc/39/89/13/1069398913.db2.gz FHQGIGDENQTYFP-RTBURBONSA-N 2 2 407.559 -0.595 20 0 HBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483262 1069398901 /nfs/dbraw/zinc/39/89/01/1069398901.db2.gz FHQGIGDENQTYFP-RTBURBONSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483262 1069398893 /nfs/dbraw/zinc/39/88/93/1069398893.db2.gz FHQGIGDENQTYFP-RTBURBONSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC[C@H]21 ZINC000483483262 1069398881 /nfs/dbraw/zinc/39/88/81/1069398881.db2.gz FHQGIGDENQTYFP-RTBURBONSA-N 2 2 407.559 -0.595 20 0 HBADLP COC(=O)Cn1ncc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484326888 1070374814 /nfs/dbraw/zinc/37/48/14/1070374814.db2.gz TVVJCDANQNKFGY-UHFFFAOYSA-N 2 2 408.503 -0.213 20 0 HBADLP COC(=O)Cn1ncc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000484326888 1070374796 /nfs/dbraw/zinc/37/47/96/1070374796.db2.gz TVVJCDANQNKFGY-UHFFFAOYSA-N 2 2 408.503 -0.213 20 0 HBADLP CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000484629242 1070394913 /nfs/dbraw/zinc/39/49/13/1070394913.db2.gz ACNCXRYOEGJHNZ-CVEARBPZSA-N 2 2 403.487 -0.205 20 0 HBADLP CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000484629243 1070395267 /nfs/dbraw/zinc/39/52/67/1070395267.db2.gz ACNCXRYOEGJHNZ-HOTGVXAUSA-N 2 2 403.487 -0.205 20 0 HBADLP CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000484629244 1070395217 /nfs/dbraw/zinc/39/52/17/1070395217.db2.gz ACNCXRYOEGJHNZ-HZPDHXFCSA-N 2 2 403.487 -0.205 20 0 HBADLP CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000484629245 1070395005 /nfs/dbraw/zinc/39/50/05/1070395005.db2.gz ACNCXRYOEGJHNZ-JKSUJKDBSA-N 2 2 403.487 -0.205 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)C2(CO)CCOCC2)CC1 ZINC000484651097 1070396449 /nfs/dbraw/zinc/39/64/49/1070396449.db2.gz HDWPJUWAGYDWDN-UHFFFAOYSA-N 2 2 403.487 -0.515 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)C2(CO)CCOCC2)CC1 ZINC000484651097 1070396431 /nfs/dbraw/zinc/39/64/31/1070396431.db2.gz HDWPJUWAGYDWDN-UHFFFAOYSA-N 2 2 403.487 -0.515 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCC[N@@H+]3CC=CCC3)ccn2)CC1 ZINC000484990977 1070418406 /nfs/dbraw/zinc/41/84/06/1070418406.db2.gz ZZOADKYJECEBSY-UHFFFAOYSA-N 2 2 400.483 -0.214 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCC[N@H+]3CC=CCC3)ccn2)CC1 ZINC000484990977 1070418399 /nfs/dbraw/zinc/41/83/99/1070418399.db2.gz ZZOADKYJECEBSY-UHFFFAOYSA-N 2 2 400.483 -0.214 20 0 HBADLP C[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000485456199 1070455207 /nfs/dbraw/zinc/45/52/07/1070455207.db2.gz VMAOMZVLJZEELZ-UHFFFAOYSA-N 2 2 417.514 -0.828 20 0 HBADLP C[N@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000485456199 1070455204 /nfs/dbraw/zinc/45/52/04/1070455204.db2.gz VMAOMZVLJZEELZ-UHFFFAOYSA-N 2 2 417.514 -0.828 20 0 HBADLP C[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000485456199 1070455199 /nfs/dbraw/zinc/45/51/99/1070455199.db2.gz VMAOMZVLJZEELZ-UHFFFAOYSA-N 2 2 417.514 -0.828 20 0 HBADLP C[N@H+](CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000485456199 1070455186 /nfs/dbraw/zinc/45/51/86/1070455186.db2.gz VMAOMZVLJZEELZ-UHFFFAOYSA-N 2 2 417.514 -0.828 20 0 HBADLP 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O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000487618450 1070543076 /nfs/dbraw/zinc/54/30/76/1070543076.db2.gz FNIAGALKYNQIQT-ROUUACIJSA-N 2 2 415.542 -0.212 20 0 HBADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000487618450 1070543065 /nfs/dbraw/zinc/54/30/65/1070543065.db2.gz FNIAGALKYNQIQT-ROUUACIJSA-N 2 2 415.542 -0.212 20 0 HBADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000487618450 1070543055 /nfs/dbraw/zinc/54/30/55/1070543055.db2.gz FNIAGALKYNQIQT-ROUUACIJSA-N 2 2 415.542 -0.212 20 0 HBADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000487618451 1070542740 /nfs/dbraw/zinc/54/27/40/1070542740.db2.gz FNIAGALKYNQIQT-ZWKOTPCHSA-N 2 2 415.542 -0.212 20 0 HBADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000487618451 1070542725 /nfs/dbraw/zinc/54/27/25/1070542725.db2.gz FNIAGALKYNQIQT-ZWKOTPCHSA-N 2 2 415.542 -0.212 20 0 HBADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000487618451 1070542716 /nfs/dbraw/zinc/54/27/16/1070542716.db2.gz FNIAGALKYNQIQT-ZWKOTPCHSA-N 2 2 415.542 -0.212 20 0 HBADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000487618451 1070542703 /nfs/dbraw/zinc/54/27/03/1070542703.db2.gz FNIAGALKYNQIQT-ZWKOTPCHSA-N 2 2 415.542 -0.212 20 0 HBADLP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000487684333 1070547066 /nfs/dbraw/zinc/54/70/66/1070547066.db2.gz MJFUTPUGRWUWHK-GOSISDBHSA-N 2 2 424.542 -0.442 20 0 HBADLP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000487684334 1070547147 /nfs/dbraw/zinc/54/71/47/1070547147.db2.gz MJFUTPUGRWUWHK-SFHVURJKSA-N 2 2 424.542 -0.442 20 0 HBADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCN(c2cnccn2)CC1 ZINC000488112722 1070562835 /nfs/dbraw/zinc/56/28/35/1070562835.db2.gz IFBPGZVXMNGEFI-UHFFFAOYSA-N 2 2 404.515 -0.716 20 0 HBADLP COCCOCCN1C(=O)C[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000489032140 1070590440 /nfs/dbraw/zinc/59/04/40/1070590440.db2.gz CAQMRTXVFVXYNV-GOSISDBHSA-N 2 2 424.542 -0.347 20 0 HBADLP COCCOCCN1C(=O)C[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000489032141 1070591071 /nfs/dbraw/zinc/59/10/71/1070591071.db2.gz CAQMRTXVFVXYNV-SFHVURJKSA-N 2 2 424.542 -0.347 20 0 HBADLP O=C(CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000489121453 1070594194 /nfs/dbraw/zinc/59/41/94/1070594194.db2.gz HIQWSJPAFHOTBI-UHFFFAOYSA-N 2 2 415.542 -0.245 20 0 HBADLP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)C[NH+]3CCCC3)CC1)c(=O)n2C ZINC000489126340 1070593457 /nfs/dbraw/zinc/59/34/57/1070593457.db2.gz HZPKNEBMJANHMC-UHFFFAOYSA-N 2 2 417.514 -0.936 20 0 HBADLP COCCOCCN1C(=O)C[C@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000489138387 1070595535 /nfs/dbraw/zinc/59/55/35/1070595535.db2.gz LMSPZFGCUOYDIE-KRWDZBQOSA-N 2 2 410.515 -0.737 20 0 HBADLP COCCOCCN1C(=O)C[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000489138394 1070595596 /nfs/dbraw/zinc/59/55/96/1070595596.db2.gz LMSPZFGCUOYDIE-QGZVFWFLSA-N 2 2 410.515 -0.737 20 0 HBADLP NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000489152700 1070596128 /nfs/dbraw/zinc/59/61/28/1070596128.db2.gz CLFVUOQOCIKDET-UHFFFAOYSA-N 2 2 423.539 -0.097 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489252967 1070600562 /nfs/dbraw/zinc/60/05/62/1070600562.db2.gz MWEWEPWNIPMZSM-GOSISDBHSA-N 2 2 403.531 -0.038 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489252969 1070600629 /nfs/dbraw/zinc/60/06/29/1070600629.db2.gz MWEWEPWNIPMZSM-SFHVURJKSA-N 2 2 403.531 -0.038 20 0 HBADLP CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000489294224 1070602949 /nfs/dbraw/zinc/60/29/49/1070602949.db2.gz RATXHEBAGOWATI-CALCHBBNSA-N 2 2 424.633 -0.101 20 0 HBADLP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000489294224 1070602941 /nfs/dbraw/zinc/60/29/41/1070602941.db2.gz RATXHEBAGOWATI-CALCHBBNSA-N 2 2 424.633 -0.101 20 0 HBADLP CS(=O)(=O)NC[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000489294224 1070602934 /nfs/dbraw/zinc/60/29/34/1070602934.db2.gz RATXHEBAGOWATI-CALCHBBNSA-N 2 2 424.633 -0.101 20 0 HBADLP CS(=O)(=O)NC[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000489294224 1070602926 /nfs/dbraw/zinc/60/29/26/1070602926.db2.gz RATXHEBAGOWATI-CALCHBBNSA-N 2 2 424.633 -0.101 20 0 HBADLP CS(=O)(=O)NC[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000489294240 1070603011 /nfs/dbraw/zinc/60/30/11/1070603011.db2.gz RATXHEBAGOWATI-IAGOWNOFSA-N 2 2 424.633 -0.101 20 0 HBADLP CS(=O)(=O)NC[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000489294240 1070603002 /nfs/dbraw/zinc/60/30/02/1070603002.db2.gz RATXHEBAGOWATI-IAGOWNOFSA-N 2 2 424.633 -0.101 20 0 HBADLP CS(=O)(=O)NC[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000489294243 1070603144 /nfs/dbraw/zinc/60/31/44/1070603144.db2.gz RATXHEBAGOWATI-IRXDYDNUSA-N 2 2 424.633 -0.101 20 0 HBADLP CS(=O)(=O)NC[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000489294243 1070603137 /nfs/dbraw/zinc/60/31/37/1070603137.db2.gz RATXHEBAGOWATI-IRXDYDNUSA-N 2 2 424.633 -0.101 20 0 HBADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000489576188 1070618202 /nfs/dbraw/zinc/61/82/02/1070618202.db2.gz CMWOSMQYLZIAND-KRWDZBQOSA-N 2 2 401.515 -0.648 20 0 HBADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000489576188 1070618194 /nfs/dbraw/zinc/61/81/94/1070618194.db2.gz CMWOSMQYLZIAND-KRWDZBQOSA-N 2 2 401.515 -0.648 20 0 HBADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000489576188 1070618190 /nfs/dbraw/zinc/61/81/90/1070618190.db2.gz CMWOSMQYLZIAND-KRWDZBQOSA-N 2 2 401.515 -0.648 20 0 HBADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000489576188 1070618185 /nfs/dbraw/zinc/61/81/85/1070618185.db2.gz CMWOSMQYLZIAND-KRWDZBQOSA-N 2 2 401.515 -0.648 20 0 HBADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000489576193 1070617988 /nfs/dbraw/zinc/61/79/88/1070617988.db2.gz CMWOSMQYLZIAND-QGZVFWFLSA-N 2 2 401.515 -0.648 20 0 HBADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000489576193 1070617987 /nfs/dbraw/zinc/61/79/87/1070617987.db2.gz CMWOSMQYLZIAND-QGZVFWFLSA-N 2 2 401.515 -0.648 20 0 HBADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000489576193 1070617983 /nfs/dbraw/zinc/61/79/83/1070617983.db2.gz CMWOSMQYLZIAND-QGZVFWFLSA-N 2 2 401.515 -0.648 20 0 HBADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000489576193 1070617979 /nfs/dbraw/zinc/61/79/79/1070617979.db2.gz CMWOSMQYLZIAND-QGZVFWFLSA-N 2 2 401.515 -0.648 20 0 HBADLP CC(C)[C@H](CN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000489582565 1070618001 /nfs/dbraw/zinc/61/80/01/1070618001.db2.gz VKZCUXHSQPDGEG-AABGKKOBSA-N 2 2 424.634 -0.143 20 0 HBADLP CC(C)[C@H](CN(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000489582566 1070617950 /nfs/dbraw/zinc/61/79/50/1070617950.db2.gz VKZCUXHSQPDGEG-AQNXPRMDSA-N 2 2 424.634 -0.143 20 0 HBADLP CC(C)[C@H](CN(C)C(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000489582567 1070618115 /nfs/dbraw/zinc/61/81/15/1070618115.db2.gz VKZCUXHSQPDGEG-UFYCRDLUSA-N 2 2 424.634 -0.143 20 0 HBADLP CC(C)[C@H](CN(C)C(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000489582568 1070618076 /nfs/dbraw/zinc/61/80/76/1070618076.db2.gz VKZCUXHSQPDGEG-ZCNNSNEGSA-N 2 2 424.634 -0.143 20 0 HBADLP C[N@@H+](CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000490864540 1070690448 /nfs/dbraw/zinc/69/04/48/1070690448.db2.gz ZOXVIIXZIQHTFB-UHFFFAOYSA-N 2 2 410.544 -0.073 20 0 HBADLP C[N@H+](CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000490864540 1070690438 /nfs/dbraw/zinc/69/04/38/1070690438.db2.gz ZOXVIIXZIQHTFB-UHFFFAOYSA-N 2 2 410.544 -0.073 20 0 HBADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490998862 1070696571 /nfs/dbraw/zinc/69/65/71/1070696571.db2.gz RCYTYXRGXWAXGN-MOPGFXCFSA-N 2 2 408.591 -0.823 20 0 HBADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490998862 1070696569 /nfs/dbraw/zinc/69/65/69/1070696569.db2.gz RCYTYXRGXWAXGN-MOPGFXCFSA-N 2 2 408.591 -0.823 20 0 HBADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490998869 1070696383 /nfs/dbraw/zinc/69/63/83/1070696383.db2.gz RCYTYXRGXWAXGN-OALUTQOASA-N 2 2 408.591 -0.823 20 0 HBADLP C[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490998869 1070696378 /nfs/dbraw/zinc/69/63/78/1070696378.db2.gz RCYTYXRGXWAXGN-OALUTQOASA-N 2 2 408.591 -0.823 20 0 HBADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490998870 1070696362 /nfs/dbraw/zinc/69/63/62/1070696362.db2.gz RCYTYXRGXWAXGN-RBUKOAKNSA-N 2 2 408.591 -0.823 20 0 HBADLP C[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490998870 1070696357 /nfs/dbraw/zinc/69/63/57/1070696357.db2.gz RCYTYXRGXWAXGN-RBUKOAKNSA-N 2 2 408.591 -0.823 20 0 HBADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490998872 1070696656 /nfs/dbraw/zinc/69/66/56/1070696656.db2.gz RCYTYXRGXWAXGN-RTBURBONSA-N 2 2 408.591 -0.823 20 0 HBADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490998872 1070696646 /nfs/dbraw/zinc/69/66/46/1070696646.db2.gz RCYTYXRGXWAXGN-RTBURBONSA-N 2 2 408.591 -0.823 20 0 HBADLP CCCC[N@@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000491034531 1070697894 /nfs/dbraw/zinc/69/78/94/1070697894.db2.gz HGBVTLDCLKXQIY-UHFFFAOYSA-N 2 2 404.581 -0.462 20 0 HBADLP CCCC[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000491034531 1070697891 /nfs/dbraw/zinc/69/78/91/1070697891.db2.gz HGBVTLDCLKXQIY-UHFFFAOYSA-N 2 2 404.581 -0.462 20 0 HBADLP COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000491112499 1070700229 /nfs/dbraw/zinc/70/02/29/1070700229.db2.gz YHXAQHRSKLTWNM-UHFFFAOYSA-N 2 2 419.482 -0.115 20 0 HBADLP CC(C)C[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000493231207 1071572254 /nfs/dbraw/zinc/57/22/54/1071572254.db2.gz QDVWJLGZQOWKMA-HSALFYBXSA-N 2 2 424.634 -0.095 20 0 HBADLP CC(C)C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000493231208 1071572110 /nfs/dbraw/zinc/57/21/10/1071572110.db2.gz QDVWJLGZQOWKMA-SLFFLAALSA-N 2 2 424.634 -0.095 20 0 HBADLP CC(C)C[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000493231209 1071572189 /nfs/dbraw/zinc/57/21/89/1071572189.db2.gz QDVWJLGZQOWKMA-VAMGGRTRSA-N 2 2 424.634 -0.095 20 0 HBADLP CC(C)C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000493231210 1071572214 /nfs/dbraw/zinc/57/22/14/1071572214.db2.gz QDVWJLGZQOWKMA-XUVXKRRUSA-N 2 2 424.634 -0.095 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CC(C)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494746925 1071622490 /nfs/dbraw/zinc/62/24/90/1071622490.db2.gz RFISZGNRUJIOLG-HOTGVXAUSA-N 2 2 410.606 -0.350 20 0 HBADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CC(C)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494746925 1071622486 /nfs/dbraw/zinc/62/24/86/1071622486.db2.gz RFISZGNRUJIOLG-HOTGVXAUSA-N 2 2 410.606 -0.350 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1CC(C)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494746926 1071622436 /nfs/dbraw/zinc/62/24/36/1071622436.db2.gz RFISZGNRUJIOLG-HZPDHXFCSA-N 2 2 410.606 -0.350 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1CC(C)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494746926 1071622433 /nfs/dbraw/zinc/62/24/33/1071622433.db2.gz RFISZGNRUJIOLG-HZPDHXFCSA-N 2 2 410.606 -0.350 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@H](C)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494746927 1071622317 /nfs/dbraw/zinc/62/23/17/1071622317.db2.gz RFISZGNRUJIOLG-MUJYYYPQSA-N 2 2 410.606 -0.350 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@H](C)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494746927 1071622314 /nfs/dbraw/zinc/62/23/14/1071622314.db2.gz RFISZGNRUJIOLG-MUJYYYPQSA-N 2 2 410.606 -0.350 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](C)C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494746927 1071622303 /nfs/dbraw/zinc/62/23/03/1071622303.db2.gz RFISZGNRUJIOLG-MUJYYYPQSA-N 2 2 410.606 -0.350 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](C)C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494746927 1071622299 /nfs/dbraw/zinc/62/22/99/1071622299.db2.gz RFISZGNRUJIOLG-MUJYYYPQSA-N 2 2 410.606 -0.350 20 0 HBADLP Cc1nn(C)c(=O)c(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000495100416 1071647592 /nfs/dbraw/zinc/64/75/92/1071647592.db2.gz UDXQPIKXJUOCOM-UHFFFAOYSA-N 2 2 418.542 -0.292 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000495804276 1071713124 /nfs/dbraw/zinc/71/31/24/1071713124.db2.gz MZZNYKSUPIQVPK-UHFFFAOYSA-N 2 2 419.530 -0.692 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000495804276 1071713113 /nfs/dbraw/zinc/71/31/13/1071713113.db2.gz MZZNYKSUPIQVPK-UHFFFAOYSA-N 2 2 419.530 -0.692 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)ccn2)CC1 ZINC000496057443 1071723037 /nfs/dbraw/zinc/72/30/37/1071723037.db2.gz YNIHKTALZOCAKC-CRAIPNDOSA-N 2 2 414.510 -0.040 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)ccn2)CC1 ZINC000496057443 1071723035 /nfs/dbraw/zinc/72/30/35/1071723035.db2.gz YNIHKTALZOCAKC-CRAIPNDOSA-N 2 2 414.510 -0.040 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)ccn2)CC1 ZINC000496057446 1071723005 /nfs/dbraw/zinc/72/30/05/1071723005.db2.gz YNIHKTALZOCAKC-MAUKXSAKSA-N 2 2 414.510 -0.040 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)ccn2)CC1 ZINC000496057446 1071723001 /nfs/dbraw/zinc/72/30/01/1071723001.db2.gz YNIHKTALZOCAKC-MAUKXSAKSA-N 2 2 414.510 -0.040 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)ccn2)CC1 ZINC000496057447 1071723113 /nfs/dbraw/zinc/72/31/13/1071723113.db2.gz YNIHKTALZOCAKC-QAPCUYQASA-N 2 2 414.510 -0.040 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)ccn2)CC1 ZINC000496057447 1071723108 /nfs/dbraw/zinc/72/31/08/1071723108.db2.gz YNIHKTALZOCAKC-QAPCUYQASA-N 2 2 414.510 -0.040 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)ccn2)CC1 ZINC000496057448 1071722962 /nfs/dbraw/zinc/72/29/62/1071722962.db2.gz YNIHKTALZOCAKC-YJBOKZPZSA-N 2 2 414.510 -0.040 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)ccn2)CC1 ZINC000496057448 1071722959 /nfs/dbraw/zinc/72/29/59/1071722959.db2.gz YNIHKTALZOCAKC-YJBOKZPZSA-N 2 2 414.510 -0.040 20 0 HBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000496361989 1071752050 /nfs/dbraw/zinc/75/20/50/1071752050.db2.gz NWWXUUMMBQPMNV-INIZCTEOSA-N 2 2 411.547 -0.776 20 0 HBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000496361989 1071752046 /nfs/dbraw/zinc/75/20/46/1071752046.db2.gz NWWXUUMMBQPMNV-INIZCTEOSA-N 2 2 411.547 -0.776 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000496361989 1071752031 /nfs/dbraw/zinc/75/20/31/1071752031.db2.gz NWWXUUMMBQPMNV-INIZCTEOSA-N 2 2 411.547 -0.776 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000496361989 1071752025 /nfs/dbraw/zinc/75/20/25/1071752025.db2.gz NWWXUUMMBQPMNV-INIZCTEOSA-N 2 2 411.547 -0.776 20 0 HBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000496361992 1071751849 /nfs/dbraw/zinc/75/18/49/1071751849.db2.gz NWWXUUMMBQPMNV-MRXNPFEDSA-N 2 2 411.547 -0.776 20 0 HBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000496361992 1071751846 /nfs/dbraw/zinc/75/18/46/1071751846.db2.gz NWWXUUMMBQPMNV-MRXNPFEDSA-N 2 2 411.547 -0.776 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC000496361992 1071751842 /nfs/dbraw/zinc/75/18/42/1071751842.db2.gz NWWXUUMMBQPMNV-MRXNPFEDSA-N 2 2 411.547 -0.776 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC000496361992 1071751838 /nfs/dbraw/zinc/75/18/38/1071751838.db2.gz NWWXUUMMBQPMNV-MRXNPFEDSA-N 2 2 411.547 -0.776 20 0 HBADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496395553 1071753427 /nfs/dbraw/zinc/75/34/27/1071753427.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 3 2 410.607 -0.387 20 0 HBADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496395553 1071753422 /nfs/dbraw/zinc/75/34/22/1071753422.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 3 2 410.607 -0.387 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496395553 1071753419 /nfs/dbraw/zinc/75/34/19/1071753419.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 3 2 410.607 -0.387 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496395553 1071753410 /nfs/dbraw/zinc/75/34/10/1071753410.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 3 2 410.607 -0.387 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497725751 1071817306 /nfs/dbraw/zinc/81/73/06/1071817306.db2.gz ONUQSCSQAHDZHV-KRWDZBQOSA-N 2 2 419.574 -0.011 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497725751 1071817301 /nfs/dbraw/zinc/81/73/01/1071817301.db2.gz ONUQSCSQAHDZHV-KRWDZBQOSA-N 2 2 419.574 -0.011 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497725752 1071817214 /nfs/dbraw/zinc/81/72/14/1071817214.db2.gz ONUQSCSQAHDZHV-QGZVFWFLSA-N 2 2 419.574 -0.011 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497725752 1071817208 /nfs/dbraw/zinc/81/72/08/1071817208.db2.gz ONUQSCSQAHDZHV-QGZVFWFLSA-N 2 2 419.574 -0.011 20 0 HBADLP CSCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000497782964 1071821766 /nfs/dbraw/zinc/82/17/66/1071821766.db2.gz CDKREUWDLHHBPB-AWEZNQCLSA-N 2 2 401.558 -0.270 20 0 HBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000498139205 1071849425 /nfs/dbraw/zinc/84/94/25/1071849425.db2.gz YTHNWZNWUOPUKH-MSOLQXFVSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498139205 1071849421 /nfs/dbraw/zinc/84/94/21/1071849421.db2.gz YTHNWZNWUOPUKH-MSOLQXFVSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)CC1 ZINC000498139205 1071849415 /nfs/dbraw/zinc/84/94/15/1071849415.db2.gz YTHNWZNWUOPUKH-MSOLQXFVSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)CC1 ZINC000498139205 1071849407 /nfs/dbraw/zinc/84/94/07/1071849407.db2.gz YTHNWZNWUOPUKH-MSOLQXFVSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000498139206 1071849317 /nfs/dbraw/zinc/84/93/17/1071849317.db2.gz YTHNWZNWUOPUKH-QZTJIDSGSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498139206 1071849312 /nfs/dbraw/zinc/84/93/12/1071849312.db2.gz YTHNWZNWUOPUKH-QZTJIDSGSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)CC1 ZINC000498139206 1071849305 /nfs/dbraw/zinc/84/93/05/1071849305.db2.gz YTHNWZNWUOPUKH-QZTJIDSGSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)CC1 ZINC000498139206 1071849291 /nfs/dbraw/zinc/84/92/91/1071849291.db2.gz YTHNWZNWUOPUKH-QZTJIDSGSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000498139207 1071848944 /nfs/dbraw/zinc/84/89/44/1071848944.db2.gz YTHNWZNWUOPUKH-ROUUACIJSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498139207 1071848935 /nfs/dbraw/zinc/84/89/35/1071848935.db2.gz YTHNWZNWUOPUKH-ROUUACIJSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)CC1 ZINC000498139207 1071848923 /nfs/dbraw/zinc/84/89/23/1071848923.db2.gz YTHNWZNWUOPUKH-ROUUACIJSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)CC1 ZINC000498139207 1071848913 /nfs/dbraw/zinc/84/89/13/1071848913.db2.gz YTHNWZNWUOPUKH-ROUUACIJSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000498139208 1071849388 /nfs/dbraw/zinc/84/93/88/1071849388.db2.gz YTHNWZNWUOPUKH-ZWKOTPCHSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000498139208 1071849374 /nfs/dbraw/zinc/84/93/74/1071849374.db2.gz YTHNWZNWUOPUKH-ZWKOTPCHSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)CC1 ZINC000498139208 1071849369 /nfs/dbraw/zinc/84/93/69/1071849369.db2.gz YTHNWZNWUOPUKH-ZWKOTPCHSA-N 2 2 407.559 -0.010 20 0 HBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)CC1 ZINC000498139208 1071849364 /nfs/dbraw/zinc/84/93/64/1071849364.db2.gz YTHNWZNWUOPUKH-ZWKOTPCHSA-N 2 2 407.559 -0.010 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000498414637 1071908227 /nfs/dbraw/zinc/90/82/27/1071908227.db2.gz LDESJNGWSGORHV-UHFFFAOYSA-N 2 2 405.503 -0.221 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000498414637 1071908215 /nfs/dbraw/zinc/90/82/15/1071908215.db2.gz LDESJNGWSGORHV-UHFFFAOYSA-N 2 2 405.503 -0.221 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000498414920 1070900370 /nfs/dbraw/zinc/90/03/70/1070900370.db2.gz STLVPGVMJCIPFZ-UHFFFAOYSA-N 2 2 402.499 -0.270 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000498414920 1070900359 /nfs/dbraw/zinc/90/03/59/1070900359.db2.gz STLVPGVMJCIPFZ-UHFFFAOYSA-N 2 2 402.499 -0.270 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000498421234 1071908111 /nfs/dbraw/zinc/90/81/11/1071908111.db2.gz IDCYKCWCOBPUMR-UHFFFAOYSA-N 2 2 402.499 -0.270 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000498421234 1071908089 /nfs/dbraw/zinc/90/80/89/1071908089.db2.gz IDCYKCWCOBPUMR-UHFFFAOYSA-N 2 2 402.499 -0.270 20 0 HBADLP C[NH+](C)Cc1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498569091 1070988443 /nfs/dbraw/zinc/98/84/43/1070988443.db2.gz FJLUTCONZNIZKL-UHFFFAOYSA-N 2 2 409.556 -0.002 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000498777105 1071970774 /nfs/dbraw/zinc/97/07/74/1071970774.db2.gz ZGMWXRFPNZEFPJ-DOTOQJQBSA-N 2 2 414.572 -0.494 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000498777105 1071970767 /nfs/dbraw/zinc/97/07/67/1071970767.db2.gz ZGMWXRFPNZEFPJ-DOTOQJQBSA-N 2 2 414.572 -0.494 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000498777106 1071970647 /nfs/dbraw/zinc/97/06/47/1071970647.db2.gz ZGMWXRFPNZEFPJ-NVXWUHKLSA-N 2 2 414.572 -0.494 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000498777106 1071970641 /nfs/dbraw/zinc/97/06/41/1071970641.db2.gz ZGMWXRFPNZEFPJ-NVXWUHKLSA-N 2 2 414.572 -0.494 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000498777107 1071970911 /nfs/dbraw/zinc/97/09/11/1071970911.db2.gz ZGMWXRFPNZEFPJ-RDJZCZTQSA-N 2 2 414.572 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C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000501552823 1069567197 /nfs/dbraw/zinc/56/71/97/1069567197.db2.gz QKXMBLICXWVZJG-QGZVFWFLSA-N 2 2 416.592 -0.462 20 0 HBADLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000501552823 1069567193 /nfs/dbraw/zinc/56/71/93/1069567193.db2.gz QKXMBLICXWVZJG-QGZVFWFLSA-N 2 2 416.592 -0.462 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000501597670 1069569326 /nfs/dbraw/zinc/56/93/26/1069569326.db2.gz NVJXSVVHNMNDRZ-DLBZAZTESA-N 2 2 424.542 -0.301 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000501597670 1069569319 /nfs/dbraw/zinc/56/93/19/1069569319.db2.gz NVJXSVVHNMNDRZ-DLBZAZTESA-N 2 2 424.542 -0.301 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000501597671 1069569205 /nfs/dbraw/zinc/56/92/05/1069569205.db2.gz NVJXSVVHNMNDRZ-IAGOWNOFSA-N 2 2 424.542 -0.301 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000501597671 1069569199 /nfs/dbraw/zinc/56/91/99/1069569199.db2.gz NVJXSVVHNMNDRZ-IAGOWNOFSA-N 2 2 424.542 -0.301 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000501597672 1069569265 /nfs/dbraw/zinc/56/92/65/1069569265.db2.gz NVJXSVVHNMNDRZ-IRXDYDNUSA-N 2 2 424.542 -0.301 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000501597672 1069569257 /nfs/dbraw/zinc/56/92/57/1069569257.db2.gz NVJXSVVHNMNDRZ-IRXDYDNUSA-N 2 2 424.542 -0.301 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000501597674 1069569395 /nfs/dbraw/zinc/56/93/95/1069569395.db2.gz NVJXSVVHNMNDRZ-SJORKVTESA-N 2 2 424.542 -0.301 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000501597674 1069569389 /nfs/dbraw/zinc/56/93/89/1069569389.db2.gz NVJXSVVHNMNDRZ-SJORKVTESA-N 2 2 424.542 -0.301 20 0 HBADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501638798 1069571048 /nfs/dbraw/zinc/57/10/48/1069571048.db2.gz MLTDREBACZSLCW-DLBZAZTESA-N 2 2 409.531 -0.988 20 0 HBADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501638798 1069571041 /nfs/dbraw/zinc/57/10/41/1069571041.db2.gz MLTDREBACZSLCW-DLBZAZTESA-N 2 2 409.531 -0.988 20 0 HBADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000501638798 1069571033 /nfs/dbraw/zinc/57/10/33/1069571033.db2.gz MLTDREBACZSLCW-DLBZAZTESA-N 2 2 409.531 -0.988 20 0 HBADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000501638798 1069571028 /nfs/dbraw/zinc/57/10/28/1069571028.db2.gz MLTDREBACZSLCW-DLBZAZTESA-N 2 2 409.531 -0.988 20 0 HBADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501638799 1069571244 /nfs/dbraw/zinc/57/12/44/1069571244.db2.gz MLTDREBACZSLCW-IAGOWNOFSA-N 2 2 409.531 -0.988 20 0 HBADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501638799 1069571241 /nfs/dbraw/zinc/57/12/41/1069571241.db2.gz MLTDREBACZSLCW-IAGOWNOFSA-N 2 2 409.531 -0.988 20 0 HBADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000501638799 1069571238 /nfs/dbraw/zinc/57/12/38/1069571238.db2.gz MLTDREBACZSLCW-IAGOWNOFSA-N 2 2 409.531 -0.988 20 0 HBADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000501638799 1069571233 /nfs/dbraw/zinc/57/12/33/1069571233.db2.gz MLTDREBACZSLCW-IAGOWNOFSA-N 2 2 409.531 -0.988 20 0 HBADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501638800 1069570948 /nfs/dbraw/zinc/57/09/48/1069570948.db2.gz MLTDREBACZSLCW-IRXDYDNUSA-N 2 2 409.531 -0.988 20 0 HBADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501638800 1069570944 /nfs/dbraw/zinc/57/09/44/1069570944.db2.gz MLTDREBACZSLCW-IRXDYDNUSA-N 2 2 409.531 -0.988 20 0 HBADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000501638800 1069570936 /nfs/dbraw/zinc/57/09/36/1069570936.db2.gz MLTDREBACZSLCW-IRXDYDNUSA-N 2 2 409.531 -0.988 20 0 HBADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000501638800 1069570931 /nfs/dbraw/zinc/57/09/31/1069570931.db2.gz MLTDREBACZSLCW-IRXDYDNUSA-N 2 2 409.531 -0.988 20 0 HBADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000501638801 1069571152 /nfs/dbraw/zinc/57/11/52/1069571152.db2.gz MLTDREBACZSLCW-SJORKVTESA-N 2 2 409.531 -0.988 20 0 HBADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000501638801 1069571141 /nfs/dbraw/zinc/57/11/41/1069571141.db2.gz MLTDREBACZSLCW-SJORKVTESA-N 2 2 409.531 -0.988 20 0 HBADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000501638801 1069571131 /nfs/dbraw/zinc/57/11/31/1069571131.db2.gz MLTDREBACZSLCW-SJORKVTESA-N 2 2 409.531 -0.988 20 0 HBADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCO1 ZINC000501638801 1069571117 /nfs/dbraw/zinc/57/11/17/1069571117.db2.gz MLTDREBACZSLCW-SJORKVTESA-N 2 2 409.531 -0.988 20 0 HBADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000501832515 1069575602 /nfs/dbraw/zinc/57/56/02/1069575602.db2.gz QSHKHPAXULREGO-KRWDZBQOSA-N 2 2 416.592 -0.320 20 0 HBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000501832516 1069575642 /nfs/dbraw/zinc/57/56/42/1069575642.db2.gz QSHKHPAXULREGO-QGZVFWFLSA-N 2 2 416.592 -0.320 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073444 1069589036 /nfs/dbraw/zinc/58/90/36/1069589036.db2.gz WOADYFADYVBSCA-BZSNNMDCSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073444 1069589030 /nfs/dbraw/zinc/58/90/30/1069589030.db2.gz WOADYFADYVBSCA-BZSNNMDCSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073444 1069589026 /nfs/dbraw/zinc/58/90/26/1069589026.db2.gz WOADYFADYVBSCA-BZSNNMDCSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073444 1069589021 /nfs/dbraw/zinc/58/90/21/1069589021.db2.gz WOADYFADYVBSCA-BZSNNMDCSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073448 1069588748 /nfs/dbraw/zinc/58/87/48/1069588748.db2.gz WOADYFADYVBSCA-FGTMMUONSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073448 1069588738 /nfs/dbraw/zinc/58/87/38/1069588738.db2.gz WOADYFADYVBSCA-FGTMMUONSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073448 1069588733 /nfs/dbraw/zinc/58/87/33/1069588733.db2.gz WOADYFADYVBSCA-FGTMMUONSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073448 1069588723 /nfs/dbraw/zinc/58/87/23/1069588723.db2.gz WOADYFADYVBSCA-FGTMMUONSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073450 1069588973 /nfs/dbraw/zinc/58/89/73/1069588973.db2.gz WOADYFADYVBSCA-OKZBNKHCSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073450 1069588967 /nfs/dbraw/zinc/58/89/67/1069588967.db2.gz WOADYFADYVBSCA-OKZBNKHCSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073450 1069588963 /nfs/dbraw/zinc/58/89/63/1069588963.db2.gz WOADYFADYVBSCA-OKZBNKHCSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073450 1069588958 /nfs/dbraw/zinc/58/89/58/1069588958.db2.gz WOADYFADYVBSCA-OKZBNKHCSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073452 1069588928 /nfs/dbraw/zinc/58/89/28/1069588928.db2.gz WOADYFADYVBSCA-SQNIBIBYSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073452 1069588920 /nfs/dbraw/zinc/58/89/20/1069588920.db2.gz WOADYFADYVBSCA-SQNIBIBYSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073452 1069588916 /nfs/dbraw/zinc/58/89/16/1069588916.db2.gz WOADYFADYVBSCA-SQNIBIBYSA-N 2 2 422.530 -0.865 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)c2cnn(C)c2)C1 ZINC000502073452 1069588902 /nfs/dbraw/zinc/58/89/02/1069588902.db2.gz WOADYFADYVBSCA-SQNIBIBYSA-N 2 2 422.530 -0.865 20 0 HBADLP CN(C(=O)CC(=O)NCC(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000502084359 1069590108 /nfs/dbraw/zinc/59/01/08/1069590108.db2.gz JYOXNLWSVMSNHS-UHFFFAOYSA-N 2 2 421.464 -0.248 20 0 HBADLP CCC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000502167170 1069595000 /nfs/dbraw/zinc/59/50/00/1069595000.db2.gz KLMUUZRJVJUZRF-UHFFFAOYSA-N 2 2 416.592 -0.320 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(CCC(N)=O)CC2)CC1 ZINC000502531420 1069616407 /nfs/dbraw/zinc/61/64/07/1069616407.db2.gz VJBVDWMAXPOMIR-UHFFFAOYSA-N 2 2 414.514 -0.011 20 0 HBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503078525 1068881296 /nfs/dbraw/zinc/88/12/96/1068881296.db2.gz ZDPDVDVRBDSWML-MOPGFXCFSA-N 2 2 418.542 -0.231 20 0 HBADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503078525 1068881287 /nfs/dbraw/zinc/88/12/87/1068881287.db2.gz ZDPDVDVRBDSWML-MOPGFXCFSA-N 2 2 418.542 -0.231 20 0 HBADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503078526 1068881096 /nfs/dbraw/zinc/88/10/96/1068881096.db2.gz ZDPDVDVRBDSWML-OALUTQOASA-N 2 2 418.542 -0.231 20 0 HBADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000503078526 1068881085 /nfs/dbraw/zinc/88/10/85/1068881085.db2.gz ZDPDVDVRBDSWML-OALUTQOASA-N 2 2 418.542 -0.231 20 0 HBADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000503078527 1068880834 /nfs/dbraw/zinc/88/08/34/1068880834.db2.gz ZDPDVDVRBDSWML-RBUKOAKNSA-N 2 2 418.542 -0.231 20 0 HBADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000503078527 1068880823 /nfs/dbraw/zinc/88/08/23/1068880823.db2.gz ZDPDVDVRBDSWML-RBUKOAKNSA-N 2 2 418.542 -0.231 20 0 HBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000503078528 1068881157 /nfs/dbraw/zinc/88/11/57/1068881157.db2.gz ZDPDVDVRBDSWML-RTBURBONSA-N 2 2 418.542 -0.231 20 0 HBADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000503078528 1068881149 /nfs/dbraw/zinc/88/11/49/1068881149.db2.gz ZDPDVDVRBDSWML-RTBURBONSA-N 2 2 418.542 -0.231 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000503209248 1069658769 /nfs/dbraw/zinc/65/87/69/1069658769.db2.gz VQYSUELQCKROGF-UHFFFAOYSA-N 2 2 403.531 -0.157 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(n3cncn3)CC2)CC1 ZINC000503216518 1069658070 /nfs/dbraw/zinc/65/80/70/1069658070.db2.gz CKUVZOCRLNDTRD-UHFFFAOYSA-N 2 2 410.486 -0.060 20 0 HBADLP CN(C)C(=O)C1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000503218734 1069659378 /nfs/dbraw/zinc/65/93/78/1069659378.db2.gz KVQNJPWHTVEZRM-UHFFFAOYSA-N 2 2 414.514 -0.188 20 0 HBADLP CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000503237173 1069659305 /nfs/dbraw/zinc/65/93/05/1069659305.db2.gz QANMJLLDURHLBA-INIZCTEOSA-N 2 2 414.514 -0.140 20 0 HBADLP CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000503237173 1069659302 /nfs/dbraw/zinc/65/93/02/1069659302.db2.gz QANMJLLDURHLBA-INIZCTEOSA-N 2 2 414.514 -0.140 20 0 HBADLP CC(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000503237174 1069659278 /nfs/dbraw/zinc/65/92/78/1069659278.db2.gz QANMJLLDURHLBA-MRXNPFEDSA-N 2 2 414.514 -0.140 20 0 HBADLP CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000503237174 1069659272 /nfs/dbraw/zinc/65/92/72/1069659272.db2.gz QANMJLLDURHLBA-MRXNPFEDSA-N 2 2 414.514 -0.140 20 0 HBADLP C[N@H+]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503241941 1069660952 /nfs/dbraw/zinc/66/09/52/1069660952.db2.gz KLSXTFOWZCVFHW-UHFFFAOYSA-N 2 2 410.544 -0.120 20 0 HBADLP C[N@@H+]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503241941 1069660948 /nfs/dbraw/zinc/66/09/48/1069660948.db2.gz KLSXTFOWZCVFHW-UHFFFAOYSA-N 2 2 410.544 -0.120 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000503262082 1069662423 /nfs/dbraw/zinc/66/24/23/1069662423.db2.gz JTSHSVWVGSHFEG-UHFFFAOYSA-N 2 2 410.563 -0.218 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000503262082 1069662419 /nfs/dbraw/zinc/66/24/19/1069662419.db2.gz JTSHSVWVGSHFEG-UHFFFAOYSA-N 2 2 410.563 -0.218 20 0 HBADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000503571536 1069677933 /nfs/dbraw/zinc/67/79/33/1069677933.db2.gz PSKZKUJEGXAHRU-IBGZPJMESA-N 2 2 422.618 -0.243 20 0 HBADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000503571537 1069677861 /nfs/dbraw/zinc/67/78/61/1069677861.db2.gz PSKZKUJEGXAHRU-LJQANCHMSA-N 2 2 422.618 -0.243 20 0 HBADLP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[NH+]3CCC3)c2)CC1 ZINC000503655526 1069685245 /nfs/dbraw/zinc/68/52/45/1069685245.db2.gz UDRIQSFMBAFGEO-UHFFFAOYSA-N 2 2 423.539 -0.227 20 0 HBADLP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC[NH+]3CCC3)c2)CC1 ZINC000503655526 1069685244 /nfs/dbraw/zinc/68/52/44/1069685244.db2.gz UDRIQSFMBAFGEO-UHFFFAOYSA-N 2 2 423.539 -0.227 20 0 HBADLP Cn1cnc(S(=O)(=O)NCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000503683062 1069687588 /nfs/dbraw/zinc/68/75/88/1069687588.db2.gz JYUDRIFKOXASQK-UHFFFAOYSA-N 2 2 412.560 -0.235 20 0 HBADLP C[NH+]1CCC(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000503736785 1069691747 /nfs/dbraw/zinc/69/17/47/1069691747.db2.gz UPEVMQJVDZFNRZ-UHFFFAOYSA-N 2 2 416.592 -0.462 20 0 HBADLP CCOC(CNC(=O)[C@H]1C[NH+](CC)CCO1)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000504258945 1069708921 /nfs/dbraw/zinc/70/89/21/1069708921.db2.gz UCULIWVVEVMKGE-IAGOWNOFSA-N 2 2 400.520 -0.935 20 0 HBADLP CCOC(CNC(=O)[C@H]1C[NH+](CC)CCO1)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000504258945 1069708914 /nfs/dbraw/zinc/70/89/14/1069708914.db2.gz UCULIWVVEVMKGE-IAGOWNOFSA-N 2 2 400.520 -0.935 20 0 HBADLP CCOC(CNC(=O)[C@@H]1C[NH+](CC)CCO1)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000504258946 1069708809 /nfs/dbraw/zinc/70/88/09/1069708809.db2.gz UCULIWVVEVMKGE-IRXDYDNUSA-N 2 2 400.520 -0.935 20 0 HBADLP CCOC(CNC(=O)[C@@H]1C[NH+](CC)CCO1)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000504258946 1069708803 /nfs/dbraw/zinc/70/88/03/1069708803.db2.gz UCULIWVVEVMKGE-IRXDYDNUSA-N 2 2 400.520 -0.935 20 0 HBADLP CCO[C@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000504258947 1069709075 /nfs/dbraw/zinc/70/90/75/1069709075.db2.gz UCULIWVVEVMKGE-OSYLJGHBSA-N 2 2 400.520 -0.935 20 0 HBADLP CCO[C@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000504258947 1069709060 /nfs/dbraw/zinc/70/90/60/1069709060.db2.gz UCULIWVVEVMKGE-OSYLJGHBSA-N 2 2 400.520 -0.935 20 0 HBADLP CCO[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000504258947 1069709048 /nfs/dbraw/zinc/70/90/48/1069709048.db2.gz UCULIWVVEVMKGE-OSYLJGHBSA-N 2 2 400.520 -0.935 20 0 HBADLP CCO[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000504258947 1069709038 /nfs/dbraw/zinc/70/90/38/1069709038.db2.gz UCULIWVVEVMKGE-OSYLJGHBSA-N 2 2 400.520 -0.935 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577195 1069729946 /nfs/dbraw/zinc/72/99/46/1069729946.db2.gz HNFWDOMVOLLUMX-KRWDZBQOSA-N 2 2 419.530 -0.874 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577195 1069729930 /nfs/dbraw/zinc/72/99/30/1069729930.db2.gz HNFWDOMVOLLUMX-KRWDZBQOSA-N 2 2 419.530 -0.874 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577196 1069729792 /nfs/dbraw/zinc/72/97/92/1069729792.db2.gz HNFWDOMVOLLUMX-QGZVFWFLSA-N 2 2 419.530 -0.874 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504577196 1069729770 /nfs/dbraw/zinc/72/97/70/1069729770.db2.gz HNFWDOMVOLLUMX-QGZVFWFLSA-N 2 2 419.530 -0.874 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506437111 1070207233 /nfs/dbraw/zinc/20/72/33/1070207233.db2.gz IBTHXQNUVLPVRD-IBGZPJMESA-N 2 2 418.538 -0.647 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000506437112 1070207443 /nfs/dbraw/zinc/20/74/43/1070207443.db2.gz IBTHXQNUVLPVRD-LJQANCHMSA-N 2 2 418.538 -0.647 20 0 HBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000506715458 1070314746 /nfs/dbraw/zinc/31/47/46/1070314746.db2.gz JUHFTWSTUGBENM-JXFKEZNVSA-N 2 2 421.546 -0.106 20 0 HBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000506715458 1070314730 /nfs/dbraw/zinc/31/47/30/1070314730.db2.gz JUHFTWSTUGBENM-JXFKEZNVSA-N 2 2 421.546 -0.106 20 0 HBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000506715459 1070314974 /nfs/dbraw/zinc/31/49/74/1070314974.db2.gz JUHFTWSTUGBENM-OXJNMPFZSA-N 2 2 421.546 -0.106 20 0 HBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000506715459 1070314959 /nfs/dbraw/zinc/31/49/59/1070314959.db2.gz JUHFTWSTUGBENM-OXJNMPFZSA-N 2 2 421.546 -0.106 20 0 HBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000506715460 1070314698 /nfs/dbraw/zinc/31/46/98/1070314698.db2.gz JUHFTWSTUGBENM-OXQOHEQNSA-N 2 2 421.546 -0.106 20 0 HBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000506715460 1070314680 /nfs/dbraw/zinc/31/46/80/1070314680.db2.gz JUHFTWSTUGBENM-OXQOHEQNSA-N 2 2 421.546 -0.106 20 0 HBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000506715461 1070314910 /nfs/dbraw/zinc/31/49/10/1070314910.db2.gz JUHFTWSTUGBENM-UZLBHIALSA-N 2 2 421.546 -0.106 20 0 HBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000506715461 1070314893 /nfs/dbraw/zinc/31/48/93/1070314893.db2.gz JUHFTWSTUGBENM-UZLBHIALSA-N 2 2 421.546 -0.106 20 0 HBADLP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000507375172 1070475133 /nfs/dbraw/zinc/47/51/33/1070475133.db2.gz MPEGVLJPGAEAIY-UHFFFAOYSA-N 2 2 411.528 -0.338 20 0 HBADLP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000507376042 1070474969 /nfs/dbraw/zinc/47/49/69/1070474969.db2.gz RUMXRLNFGGLMSA-UHFFFAOYSA-N 2 2 411.528 -0.338 20 0 HBADLP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000507394224 1070476946 /nfs/dbraw/zinc/47/69/46/1070476946.db2.gz YLMCTPWDFFQEBL-UHFFFAOYSA-N 2 2 422.530 -0.240 20 0 HBADLP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 ZINC000507402708 1070485645 /nfs/dbraw/zinc/48/56/45/1070485645.db2.gz KVWRTTDBYQGJDA-UHFFFAOYSA-N 2 2 406.487 -0.562 20 0 HBADLP CCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000507440645 1070486334 /nfs/dbraw/zinc/48/63/34/1070486334.db2.gz JZVOOMYQMZJQKU-UHFFFAOYSA-N 2 2 408.503 -0.486 20 0 HBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507442584 1070489354 /nfs/dbraw/zinc/48/93/54/1070489354.db2.gz RVMJCWMAOVQTAG-IBGZPJMESA-N 3 2 411.591 -0.151 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507442584 1070489349 /nfs/dbraw/zinc/48/93/49/1070489349.db2.gz RVMJCWMAOVQTAG-IBGZPJMESA-N 3 2 411.591 -0.151 20 0 HBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507442586 1070489481 /nfs/dbraw/zinc/48/94/81/1070489481.db2.gz RVMJCWMAOVQTAG-LJQANCHMSA-N 3 2 411.591 -0.151 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507442586 1070489475 /nfs/dbraw/zinc/48/94/75/1070489475.db2.gz RVMJCWMAOVQTAG-LJQANCHMSA-N 3 2 411.591 -0.151 20 0 HBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000507690604 1070522679 /nfs/dbraw/zinc/52/26/79/1070522679.db2.gz XLRKXZFVBPHRLS-UHFFFAOYSA-N 2 2 419.530 -0.690 20 0 HBADLP C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508194676 1070767234 /nfs/dbraw/zinc/76/72/34/1070767234.db2.gz OUEWKVYFIAAMPK-BBWFWOEESA-N 2 2 401.577 -0.116 20 0 HBADLP C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508194676 1070767221 /nfs/dbraw/zinc/76/72/21/1070767221.db2.gz OUEWKVYFIAAMPK-BBWFWOEESA-N 2 2 401.577 -0.116 20 0 HBADLP C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508194681 1070767169 /nfs/dbraw/zinc/76/71/69/1070767169.db2.gz OUEWKVYFIAAMPK-BRWVUGGUSA-N 2 2 401.577 -0.116 20 0 HBADLP C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508194688 1070767353 /nfs/dbraw/zinc/76/73/53/1070767353.db2.gz OUEWKVYFIAAMPK-IXDOHACOSA-N 2 2 401.577 -0.116 20 0 HBADLP C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508194688 1070767340 /nfs/dbraw/zinc/76/73/40/1070767340.db2.gz OUEWKVYFIAAMPK-IXDOHACOSA-N 2 2 401.577 -0.116 20 0 HBADLP C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508194694 1070767421 /nfs/dbraw/zinc/76/74/21/1070767421.db2.gz OUEWKVYFIAAMPK-ZACQAIPSSA-N 2 2 401.577 -0.116 20 0 HBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508500305 1071331704 /nfs/dbraw/zinc/33/17/04/1071331704.db2.gz IPTGVMLVYQZXPN-GOSISDBHSA-N 2 2 423.558 -0.820 20 0 HBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508500306 1071331867 /nfs/dbraw/zinc/33/18/67/1071331867.db2.gz IPTGVMLVYQZXPN-SFHVURJKSA-N 2 2 423.558 -0.820 20 0 HBADLP C[NH+](C)Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000508605026 1068992610 /nfs/dbraw/zinc/99/26/10/1068992610.db2.gz QVVMGVXDFCDGRY-UHFFFAOYSA-N 2 2 409.556 -0.002 20 0 HBADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000509318423 1069589118 /nfs/dbraw/zinc/58/91/18/1069589118.db2.gz ICJHBHBHTUGYQR-UHFFFAOYSA-N 2 2 415.498 -0.255 20 0 HBADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000509716747 1071226296 /nfs/dbraw/zinc/22/62/96/1071226296.db2.gz RHFRQINALXPNBC-UHFFFAOYSA-N 2 2 418.502 -0.904 20 0 HBADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000509716747 1071226290 /nfs/dbraw/zinc/22/62/90/1071226290.db2.gz RHFRQINALXPNBC-UHFFFAOYSA-N 2 2 418.502 -0.904 20 0 HBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000510214993 1068296503 /nfs/dbraw/zinc/29/65/03/1068296503.db2.gz SXJXXXCXHKWQBP-KRWDZBQOSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000510214993 1068296488 /nfs/dbraw/zinc/29/64/88/1068296488.db2.gz SXJXXXCXHKWQBP-KRWDZBQOSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000510215006 1068296609 /nfs/dbraw/zinc/29/66/09/1068296609.db2.gz SXJXXXCXHKWQBP-QGZVFWFLSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000510215006 1068296599 /nfs/dbraw/zinc/29/65/99/1068296599.db2.gz SXJXXXCXHKWQBP-QGZVFWFLSA-N 2 2 404.577 -0.279 20 0 HBADLP CS(=O)(=O)NCC1CC[NH+](CCC[NH+]2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000510245613 1068304559 /nfs/dbraw/zinc/30/45/59/1068304559.db2.gz UXKQAMDSTLPTJS-UHFFFAOYSA-N 2 2 424.633 -0.101 20 0 HBADLP C[NH+](C)CCN1C[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000510401286 1068482651 /nfs/dbraw/zinc/48/26/51/1068482651.db2.gz YLPDBRZKMJFQBV-KRWDZBQOSA-N 2 2 416.526 -0.353 20 0 HBADLP C[NH+](C)CCN1C[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000510401287 1068482795 /nfs/dbraw/zinc/48/27/95/1068482795.db2.gz YLPDBRZKMJFQBV-QGZVFWFLSA-N 2 2 416.526 -0.353 20 0 HBADLP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000511042211 1068640364 /nfs/dbraw/zinc/64/03/64/1068640364.db2.gz CALVUXDSBUOJML-MOPGFXCFSA-N 2 2 409.575 -0.301 20 0 HBADLP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000511042213 1068640247 /nfs/dbraw/zinc/64/02/47/1068640247.db2.gz CALVUXDSBUOJML-OALUTQOASA-N 2 2 409.575 -0.301 20 0 HBADLP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000511042214 1068640276 /nfs/dbraw/zinc/64/02/76/1068640276.db2.gz CALVUXDSBUOJML-RBUKOAKNSA-N 2 2 409.575 -0.301 20 0 HBADLP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000511042216 1068640328 /nfs/dbraw/zinc/64/03/28/1068640328.db2.gz CALVUXDSBUOJML-RTBURBONSA-N 2 2 409.575 -0.301 20 0 HBADLP Cc1noc(COCC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000511141619 1068698301 /nfs/dbraw/zinc/69/83/01/1068698301.db2.gz CIQYRIZMNSRPOZ-UHFFFAOYSA-N 2 2 408.503 -0.409 20 0 HBADLP C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511250663 1071537261 /nfs/dbraw/zinc/53/72/61/1071537261.db2.gz OHANFZKSSVVRJR-INIZCTEOSA-N 2 2 414.576 -0.544 20 0 HBADLP C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511250663 1071537256 /nfs/dbraw/zinc/53/72/56/1071537256.db2.gz OHANFZKSSVVRJR-INIZCTEOSA-N 2 2 414.576 -0.544 20 0 HBADLP C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511250666 1068853388 /nfs/dbraw/zinc/85/33/88/1068853388.db2.gz OHANFZKSSVVRJR-MRXNPFEDSA-N 2 2 414.576 -0.544 20 0 HBADLP C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511250666 1068853373 /nfs/dbraw/zinc/85/33/73/1068853373.db2.gz OHANFZKSSVVRJR-MRXNPFEDSA-N 2 2 414.576 -0.544 20 0 HBADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000511595023 1069093775 /nfs/dbraw/zinc/09/37/75/1069093775.db2.gz LGHQBBCNHJUZQF-HOJAQTOUSA-N 2 2 418.538 -0.225 20 0 HBADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000511595023 1069093764 /nfs/dbraw/zinc/09/37/64/1069093764.db2.gz LGHQBBCNHJUZQF-HOJAQTOUSA-N 2 2 418.538 -0.225 20 0 HBADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000511595024 1069093589 /nfs/dbraw/zinc/09/35/89/1069093589.db2.gz LGHQBBCNHJUZQF-MISYRCLQSA-N 2 2 418.538 -0.225 20 0 HBADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000511595024 1069093581 /nfs/dbraw/zinc/09/35/81/1069093581.db2.gz LGHQBBCNHJUZQF-MISYRCLQSA-N 2 2 418.538 -0.225 20 0 HBADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000511595025 1069093420 /nfs/dbraw/zinc/09/34/20/1069093420.db2.gz LGHQBBCNHJUZQF-RLLQIKCJSA-N 2 2 418.538 -0.225 20 0 HBADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000511595025 1069093406 /nfs/dbraw/zinc/09/34/06/1069093406.db2.gz LGHQBBCNHJUZQF-RLLQIKCJSA-N 2 2 418.538 -0.225 20 0 HBADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000511595028 1069093258 /nfs/dbraw/zinc/09/32/58/1069093258.db2.gz LGHQBBCNHJUZQF-YZGWKJHDSA-N 2 2 418.538 -0.225 20 0 HBADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000511595028 1069093238 /nfs/dbraw/zinc/09/32/38/1069093238.db2.gz LGHQBBCNHJUZQF-YZGWKJHDSA-N 2 2 418.538 -0.225 20 0 HBADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000511914551 1069230168 /nfs/dbraw/zinc/23/01/68/1069230168.db2.gz ACCJNXKRFXADCR-KRWDZBQOSA-N 2 2 416.592 -0.320 20 0 HBADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000511914551 1069230159 /nfs/dbraw/zinc/23/01/59/1069230159.db2.gz ACCJNXKRFXADCR-KRWDZBQOSA-N 2 2 416.592 -0.320 20 0 HBADLP Cc1[nH+]ccn1CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000512252479 1069298857 /nfs/dbraw/zinc/29/88/57/1069298857.db2.gz WCGXGMFBZVCRDA-UHFFFAOYSA-N 2 2 413.548 -0.599 20 0 HBADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C1CC1)N1CC[NH+](C)CC1 ZINC000512358644 1069312529 /nfs/dbraw/zinc/31/25/29/1069312529.db2.gz UZWSCFLCNFNEMZ-AOIWGVFYSA-N 2 2 408.591 -0.731 20 0 HBADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C1CC1)N1CC[NH+](C)CC1 ZINC000512358645 1069312272 /nfs/dbraw/zinc/31/22/72/1069312272.db2.gz UZWSCFLCNFNEMZ-LMMKCTJWSA-N 2 2 408.591 -0.731 20 0 HBADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C1CC1)N1CC[NH+](C)CC1 ZINC000512358646 1069312471 /nfs/dbraw/zinc/31/24/71/1069312471.db2.gz UZWSCFLCNFNEMZ-ZHALLVOQSA-N 2 2 408.591 -0.731 20 0 HBADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C1CC1)N1CC[NH+](C)CC1 ZINC000512358647 1069312644 /nfs/dbraw/zinc/31/26/44/1069312644.db2.gz UZWSCFLCNFNEMZ-ZIFCJYIRSA-N 2 2 408.591 -0.731 20 0 HBADLP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000512534313 1069355126 /nfs/dbraw/zinc/35/51/26/1069355126.db2.gz PGIBFHYPTOFUDV-KRWDZBQOSA-N 2 2 405.499 -0.315 20 0 HBADLP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000512534314 1069355073 /nfs/dbraw/zinc/35/50/73/1069355073.db2.gz PGIBFHYPTOFUDV-QGZVFWFLSA-N 2 2 405.499 -0.315 20 0 HBADLP Cc1nc(S(=O)(=O)NCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1C ZINC000512602208 1069391681 /nfs/dbraw/zinc/39/16/81/1069391681.db2.gz MOTHFHMQXIYBIA-UHFFFAOYSA-N 2 2 412.560 -0.318 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000512710854 1069405863 /nfs/dbraw/zinc/40/58/63/1069405863.db2.gz AUZLXQXSZZHIHZ-MRXNPFEDSA-N 2 2 418.608 -0.075 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000512710854 1069405857 /nfs/dbraw/zinc/40/58/57/1069405857.db2.gz AUZLXQXSZZHIHZ-MRXNPFEDSA-N 2 2 418.608 -0.075 20 0 HBADLP COCC[NH+](CCOC)C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000512811734 1069424663 /nfs/dbraw/zinc/42/46/63/1069424663.db2.gz KJTXFNJXGQAUAP-UHFFFAOYSA-N 2 2 422.530 -0.507 20 0 HBADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000513973424 1069779665 /nfs/dbraw/zinc/77/96/65/1069779665.db2.gz WFNXIZDHEZOPOJ-CALCHBBNSA-N 2 2 417.576 -0.878 20 0 HBADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000513973425 1069779741 /nfs/dbraw/zinc/77/97/41/1069779741.db2.gz WFNXIZDHEZOPOJ-IAGOWNOFSA-N 2 2 417.576 -0.878 20 0 HBADLP C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000513973426 1069779837 /nfs/dbraw/zinc/77/98/37/1069779837.db2.gz WFNXIZDHEZOPOJ-IRXDYDNUSA-N 2 2 417.576 -0.878 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000514112530 1069791757 /nfs/dbraw/zinc/79/17/57/1069791757.db2.gz ZEMXLAIWWOPJHW-UHFFFAOYSA-N 2 2 403.531 -0.157 20 0 HBADLP CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000514302797 1069808881 /nfs/dbraw/zinc/80/88/81/1069808881.db2.gz DCTCFDCLNRSNBW-UHFFFAOYSA-N 2 2 422.574 -0.077 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000514304182 1069809811 /nfs/dbraw/zinc/80/98/11/1069809811.db2.gz MYWQKPCAEJPKQV-GOSISDBHSA-N 2 2 401.511 -0.343 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514304182 1069809780 /nfs/dbraw/zinc/80/97/80/1069809780.db2.gz MYWQKPCAEJPKQV-GOSISDBHSA-N 2 2 401.511 -0.343 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000514304183 1069810402 /nfs/dbraw/zinc/81/04/02/1069810402.db2.gz MYWQKPCAEJPKQV-SFHVURJKSA-N 2 2 401.511 -0.343 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000514304183 1069810376 /nfs/dbraw/zinc/81/03/76/1069810376.db2.gz MYWQKPCAEJPKQV-SFHVURJKSA-N 2 2 401.511 -0.343 20 0 HBADLP C[N@@H+](CCNC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000514310343 1069812406 /nfs/dbraw/zinc/81/24/06/1069812406.db2.gz WCNZVMNJDGSIRY-UHFFFAOYSA-N 2 2 401.511 -0.099 20 0 HBADLP C[N@H+](CCNC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000514310343 1069812380 /nfs/dbraw/zinc/81/23/80/1069812380.db2.gz WCNZVMNJDGSIRY-UHFFFAOYSA-N 2 2 401.511 -0.099 20 0 HBADLP CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000514324270 1069818026 /nfs/dbraw/zinc/81/80/26/1069818026.db2.gz BHLPFVHBWLYDRD-INIZCTEOSA-N 2 2 416.526 -0.334 20 0 HBADLP CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000514324270 1069818004 /nfs/dbraw/zinc/81/80/04/1069818004.db2.gz BHLPFVHBWLYDRD-INIZCTEOSA-N 2 2 416.526 -0.334 20 0 HBADLP CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000514324271 1069817343 /nfs/dbraw/zinc/81/73/43/1069817343.db2.gz BHLPFVHBWLYDRD-MRXNPFEDSA-N 2 2 416.526 -0.334 20 0 HBADLP CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000514324271 1069817319 /nfs/dbraw/zinc/81/73/19/1069817319.db2.gz BHLPFVHBWLYDRD-MRXNPFEDSA-N 2 2 416.526 -0.334 20 0 HBADLP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000514439951 1069849437 /nfs/dbraw/zinc/84/94/37/1069849437.db2.gz HSRNZYJHYJRIPQ-MOPGFXCFSA-N 2 2 409.575 -0.110 20 0 HBADLP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000514439957 1069849002 /nfs/dbraw/zinc/84/90/02/1069849002.db2.gz HSRNZYJHYJRIPQ-OALUTQOASA-N 2 2 409.575 -0.110 20 0 HBADLP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000514439958 1069849335 /nfs/dbraw/zinc/84/93/35/1069849335.db2.gz HSRNZYJHYJRIPQ-RBUKOAKNSA-N 2 2 409.575 -0.110 20 0 HBADLP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000514439960 1069849225 /nfs/dbraw/zinc/84/92/25/1069849225.db2.gz HSRNZYJHYJRIPQ-RTBURBONSA-N 2 2 409.575 -0.110 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000514443214 1069844852 /nfs/dbraw/zinc/84/48/52/1069844852.db2.gz DKZUICLVUNXSEC-KRWDZBQOSA-N 2 2 418.542 -0.466 20 0 HBADLP C[C@H](CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000514443220 1069844398 /nfs/dbraw/zinc/84/43/98/1069844398.db2.gz DKZUICLVUNXSEC-QGZVFWFLSA-N 2 2 418.542 -0.466 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000514443381 1069723670 /nfs/dbraw/zinc/72/36/70/1069723670.db2.gz LZCKZAMUFQASCH-UHFFFAOYSA-N 2 2 416.526 -0.211 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000514446908 1069846375 /nfs/dbraw/zinc/84/63/75/1069846375.db2.gz CJVQPARKHBIIRP-UHFFFAOYSA-N 2 2 401.511 -0.513 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000514446908 1069846359 /nfs/dbraw/zinc/84/63/59/1069846359.db2.gz CJVQPARKHBIIRP-UHFFFAOYSA-N 2 2 401.511 -0.513 20 0 HBADLP CC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000514458115 1069849914 /nfs/dbraw/zinc/84/99/14/1069849914.db2.gz DWIXXUNIUOHZAR-UHFFFAOYSA-N 2 2 402.565 -0.710 20 0 HBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000514607873 1069870278 /nfs/dbraw/zinc/87/02/78/1069870278.db2.gz DVRREEGYZNHVOO-INIZCTEOSA-N 2 2 411.547 -0.741 20 0 HBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000514607873 1069870260 /nfs/dbraw/zinc/87/02/60/1069870260.db2.gz DVRREEGYZNHVOO-INIZCTEOSA-N 2 2 411.547 -0.741 20 0 HBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000514607873 1069870241 /nfs/dbraw/zinc/87/02/41/1069870241.db2.gz DVRREEGYZNHVOO-INIZCTEOSA-N 2 2 411.547 -0.741 20 0 HBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000514607873 1069870220 /nfs/dbraw/zinc/87/02/20/1069870220.db2.gz DVRREEGYZNHVOO-INIZCTEOSA-N 2 2 411.547 -0.741 20 0 HBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000514607876 1069870564 /nfs/dbraw/zinc/87/05/64/1069870564.db2.gz DVRREEGYZNHVOO-MRXNPFEDSA-N 2 2 411.547 -0.741 20 0 HBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000514607876 1069870545 /nfs/dbraw/zinc/87/05/45/1069870545.db2.gz DVRREEGYZNHVOO-MRXNPFEDSA-N 2 2 411.547 -0.741 20 0 HBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000514607876 1069870523 /nfs/dbraw/zinc/87/05/23/1069870523.db2.gz DVRREEGYZNHVOO-MRXNPFEDSA-N 2 2 411.547 -0.741 20 0 HBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000514607876 1069870505 /nfs/dbraw/zinc/87/05/05/1069870505.db2.gz DVRREEGYZNHVOO-MRXNPFEDSA-N 2 2 411.547 -0.741 20 0 HBADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000515238510 1069930565 /nfs/dbraw/zinc/93/05/65/1069930565.db2.gz VGGDUDXWRCKACH-UHFFFAOYSA-N 3 2 418.542 -0.452 20 0 HBADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000515439051 1069945769 /nfs/dbraw/zinc/94/57/69/1069945769.db2.gz IHJGELPURDOMST-SFHVURJKSA-N 2 2 409.575 -0.301 20 0 HBADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516124832 1069999588 /nfs/dbraw/zinc/99/95/88/1069999588.db2.gz CMBNYVYKZSARLS-QGZVFWFLSA-N 2 2 418.608 -0.074 20 0 HBADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516124832 1069999582 /nfs/dbraw/zinc/99/95/82/1069999582.db2.gz CMBNYVYKZSARLS-QGZVFWFLSA-N 2 2 418.608 -0.074 20 0 HBADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000516601879 1070031550 /nfs/dbraw/zinc/03/15/50/1070031550.db2.gz WWZCFIKWPUXSGU-KRWDZBQOSA-N 2 2 416.592 -0.462 20 0 HBADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000516601879 1070031531 /nfs/dbraw/zinc/03/15/31/1070031531.db2.gz WWZCFIKWPUXSGU-KRWDZBQOSA-N 2 2 416.592 -0.462 20 0 HBADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000516601880 1070031857 /nfs/dbraw/zinc/03/18/57/1070031857.db2.gz WWZCFIKWPUXSGU-QGZVFWFLSA-N 2 2 416.592 -0.462 20 0 HBADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000516601880 1070031840 /nfs/dbraw/zinc/03/18/40/1070031840.db2.gz WWZCFIKWPUXSGU-QGZVFWFLSA-N 2 2 416.592 -0.462 20 0 HBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000517104256 1070072455 /nfs/dbraw/zinc/07/24/55/1070072455.db2.gz GYFDANGIJASEDL-INIZCTEOSA-N 2 2 400.487 -0.494 20 0 HBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000517104259 1070072740 /nfs/dbraw/zinc/07/27/40/1070072740.db2.gz GYFDANGIJASEDL-MRXNPFEDSA-N 2 2 400.487 -0.494 20 0 HBADLP CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517307499 1070087482 /nfs/dbraw/zinc/08/74/82/1070087482.db2.gz NVTWZNWVUFTHNR-UHFFFAOYSA-N 2 2 422.530 -0.986 20 0 HBADLP COC(=O)CSCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517388982 1070095544 /nfs/dbraw/zinc/09/55/44/1070095544.db2.gz ONVCQMYSNFLRQT-UHFFFAOYSA-N 2 2 414.572 -0.021 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000517666089 1070125726 /nfs/dbraw/zinc/12/57/26/1070125726.db2.gz SHLSIWZNJWJIFD-KRWDZBQOSA-N 2 2 409.531 -0.974 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000517666090 1070125759 /nfs/dbraw/zinc/12/57/59/1070125759.db2.gz SHLSIWZNJWJIFD-QGZVFWFLSA-N 2 2 409.531 -0.974 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)N1CC[NH+](C)CC1 ZINC000517763064 1070139665 /nfs/dbraw/zinc/13/96/65/1070139665.db2.gz JCXPZQUALIPYGA-MOPGFXCFSA-N 2 2 410.607 -0.626 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)N1CC[NH+](C)CC1 ZINC000517763071 1070140476 /nfs/dbraw/zinc/14/04/76/1070140476.db2.gz JCXPZQUALIPYGA-OALUTQOASA-N 2 2 410.607 -0.626 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)N1CC[NH+](C)CC1 ZINC000517763072 1070140550 /nfs/dbraw/zinc/14/05/50/1070140550.db2.gz JCXPZQUALIPYGA-RBUKOAKNSA-N 2 2 410.607 -0.626 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)N1CC[NH+](C)CC1 ZINC000517763194 1070139635 /nfs/dbraw/zinc/13/96/35/1070139635.db2.gz JCXPZQUALIPYGA-RTBURBONSA-N 2 2 410.607 -0.626 20 0 HBADLP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000517782558 1070143746 /nfs/dbraw/zinc/14/37/46/1070143746.db2.gz QVIUFOBECGRQPZ-UHFFFAOYSA-N 2 2 419.526 -0.167 20 0 HBADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000517838983 1070151592 /nfs/dbraw/zinc/15/15/92/1070151592.db2.gz ROIQYWAMWIODLW-GOSISDBHSA-N 2 2 408.543 -0.072 20 0 HBADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000517838992 1070151515 /nfs/dbraw/zinc/15/15/15/1070151515.db2.gz ROIQYWAMWIODLW-SFHVURJKSA-N 2 2 408.543 -0.072 20 0 HBADLP COCCN1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000517985044 1070164840 /nfs/dbraw/zinc/16/48/40/1070164840.db2.gz FTBZTFMFAWJMEW-KRWDZBQOSA-N 2 2 423.558 -0.822 20 0 HBADLP COCCN1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000517985047 1070164713 /nfs/dbraw/zinc/16/47/13/1070164713.db2.gz FTBZTFMFAWJMEW-QGZVFWFLSA-N 2 2 423.558 -0.822 20 0 HBADLP CC(=O)N1CCC[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000517985324 1070165670 /nfs/dbraw/zinc/16/56/70/1070165670.db2.gz KJAVCHLHTYFZJX-GOSISDBHSA-N 2 2 407.559 -0.058 20 0 HBADLP CC(=O)N1CCC[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000517985329 1070165727 /nfs/dbraw/zinc/16/57/27/1070165727.db2.gz KJAVCHLHTYFZJX-SFHVURJKSA-N 2 2 407.559 -0.058 20 0 HBADLP CN(C(=O)CCC(=O)N1CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517985794 1070164737 /nfs/dbraw/zinc/16/47/37/1070164737.db2.gz QJNXFBQCSJYFLB-UHFFFAOYSA-N 2 2 423.558 -0.678 20 0 HBADLP CN(C(=O)[C@H]1CCCN(C(N)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517986162 1070162776 /nfs/dbraw/zinc/16/27/76/1070162776.db2.gz YGRRLIJOMCAFNK-INIZCTEOSA-N 2 2 408.547 -0.526 20 0 HBADLP CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517986168 1070162782 /nfs/dbraw/zinc/16/27/82/1070162782.db2.gz YGRRLIJOMCAFNK-MRXNPFEDSA-N 2 2 408.547 -0.526 20 0 HBADLP CN1CC[NH+](CCCCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000518395250 1070231562 /nfs/dbraw/zinc/23/15/62/1070231562.db2.gz GGGQNCGRDVJEJQ-IBGZPJMESA-N 2 2 409.575 -0.157 20 0 HBADLP CN1CC[NH+](CCCCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000518395251 1070231384 /nfs/dbraw/zinc/23/13/84/1070231384.db2.gz GGGQNCGRDVJEJQ-LJQANCHMSA-N 2 2 409.575 -0.157 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518447813 1070237487 /nfs/dbraw/zinc/23/74/87/1070237487.db2.gz SWTOXWDVNQTIFE-GOSISDBHSA-N 2 2 404.563 -0.076 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518447813 1070237477 /nfs/dbraw/zinc/23/74/77/1070237477.db2.gz SWTOXWDVNQTIFE-GOSISDBHSA-N 2 2 404.563 -0.076 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518447814 1070237388 /nfs/dbraw/zinc/23/73/88/1070237388.db2.gz SWTOXWDVNQTIFE-SFHVURJKSA-N 2 2 404.563 -0.076 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518447814 1070237372 /nfs/dbraw/zinc/23/73/72/1070237372.db2.gz SWTOXWDVNQTIFE-SFHVURJKSA-N 2 2 404.563 -0.076 20 0 HBADLP CN(C(=O)CCCNC(=O)C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499645 1070247712 /nfs/dbraw/zinc/24/77/12/1070247712.db2.gz WALVFTKTLAMPFS-UHFFFAOYSA-N 2 2 407.559 -0.010 20 0 HBADLP C[NH+](C)C1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CC([NH+](C)C)C3)cc2)C1 ZINC000518841721 1070293447 /nfs/dbraw/zinc/29/34/47/1070293447.db2.gz ZNVJFWPJAUHBLK-UHFFFAOYSA-N 2 2 402.542 -0.444 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000518947458 1070304416 /nfs/dbraw/zinc/30/44/16/1070304416.db2.gz IHQPBZKCFOSOQI-GOSISDBHSA-N 2 2 423.558 -0.632 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000518947459 1070304828 /nfs/dbraw/zinc/30/48/28/1070304828.db2.gz IHQPBZKCFOSOQI-SFHVURJKSA-N 2 2 423.558 -0.632 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000519269953 1070340474 /nfs/dbraw/zinc/34/04/74/1070340474.db2.gz SILFYTAOCOCCDO-UHFFFAOYSA-N 2 2 403.531 -0.203 20 0 HBADLP CN(C(=O)CCCN1C(=O)CNC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000519273018 1070341018 /nfs/dbraw/zinc/34/10/18/1070341018.db2.gz CTTVLPYHGAGTLO-UHFFFAOYSA-N 2 2 422.530 -0.985 20 0 HBADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000519632947 1070531604 /nfs/dbraw/zinc/53/16/04/1070531604.db2.gz ODWHGKUBGXVIOQ-KRWDZBQOSA-N 2 2 405.499 -0.991 20 0 HBADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000519632947 1070531596 /nfs/dbraw/zinc/53/15/96/1070531596.db2.gz ODWHGKUBGXVIOQ-KRWDZBQOSA-N 2 2 405.499 -0.991 20 0 HBADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000519632955 1070531498 /nfs/dbraw/zinc/53/14/98/1070531498.db2.gz ODWHGKUBGXVIOQ-QGZVFWFLSA-N 2 2 405.499 -0.991 20 0 HBADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000519632955 1070531487 /nfs/dbraw/zinc/53/14/87/1070531487.db2.gz ODWHGKUBGXVIOQ-QGZVFWFLSA-N 2 2 405.499 -0.991 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCOCC1 ZINC000519768958 1070539954 /nfs/dbraw/zinc/53/99/54/1070539954.db2.gz JXCYYXWNWICTKD-KRWDZBQOSA-N 2 2 418.542 -0.466 20 0 HBADLP C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C[NH+]1CCOCC1 ZINC000519769042 1070539915 /nfs/dbraw/zinc/53/99/15/1070539915.db2.gz JXCYYXWNWICTKD-QGZVFWFLSA-N 2 2 418.542 -0.466 20 0 HBADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519974442 1070559838 /nfs/dbraw/zinc/55/98/38/1070559838.db2.gz ZQBVSFXSXIEAJD-INIZCTEOSA-N 2 2 404.581 -0.464 20 0 HBADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519974443 1070559735 /nfs/dbraw/zinc/55/97/35/1070559735.db2.gz ZQBVSFXSXIEAJD-MRXNPFEDSA-N 2 2 404.581 -0.464 20 0 HBADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000520440975 1070639626 /nfs/dbraw/zinc/63/96/26/1070639626.db2.gz DBOIAKSRKRDUKZ-UHFFFAOYSA-N 2 2 402.503 -0.140 20 0 HBADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000520440975 1070639622 /nfs/dbraw/zinc/63/96/22/1070639622.db2.gz DBOIAKSRKRDUKZ-UHFFFAOYSA-N 2 2 402.503 -0.140 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCC(=O)N3CCCC3)CC2)CC1 ZINC000520929889 1070809798 /nfs/dbraw/zinc/80/97/98/1070809798.db2.gz MNRIJBJZZBELNG-UHFFFAOYSA-N 2 2 407.559 -0.009 20 0 HBADLP COCc1cc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n2ncnc2n1 ZINC000521013485 1070855315 /nfs/dbraw/zinc/85/53/15/1070855315.db2.gz JXQQCTFCWKBCLJ-UHFFFAOYSA-N 2 2 416.530 -0.055 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000521113442 1070870433 /nfs/dbraw/zinc/87/04/33/1070870433.db2.gz HEVABCRWGLMHJN-MRXNPFEDSA-N 2 2 417.576 -0.989 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000521113442 1070870408 /nfs/dbraw/zinc/87/04/08/1070870408.db2.gz HEVABCRWGLMHJN-MRXNPFEDSA-N 2 2 417.576 -0.989 20 0 HBADLP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)CC1 ZINC000521141873 1070873105 /nfs/dbraw/zinc/87/31/05/1070873105.db2.gz JORDZTJDVDZGPP-FQEVSTJZSA-N 2 2 421.586 -0.347 20 0 HBADLP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)CC1 ZINC000521141874 1070872898 /nfs/dbraw/zinc/87/28/98/1070872898.db2.gz JORDZTJDVDZGPP-HXUWFJFHSA-N 2 2 421.586 -0.347 20 0 HBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000521164280 1070885760 /nfs/dbraw/zinc/88/57/60/1070885760.db2.gz QZZXIGHKCPVZSM-KRWDZBQOSA-N 2 2 416.592 -0.320 20 0 HBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000521164280 1070885737 /nfs/dbraw/zinc/88/57/37/1070885737.db2.gz QZZXIGHKCPVZSM-KRWDZBQOSA-N 2 2 416.592 -0.320 20 0 HBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000521164281 1070885442 /nfs/dbraw/zinc/88/54/42/1070885442.db2.gz QZZXIGHKCPVZSM-QGZVFWFLSA-N 2 2 416.592 -0.320 20 0 HBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000521164281 1070885435 /nfs/dbraw/zinc/88/54/35/1070885435.db2.gz QZZXIGHKCPVZSM-QGZVFWFLSA-N 2 2 416.592 -0.320 20 0 HBADLP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2)CCO1 ZINC000521452451 1070928303 /nfs/dbraw/zinc/92/83/03/1070928303.db2.gz KBUIIPLCWBJFKY-FXAWDEMLSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)CCO1 ZINC000521452451 1070928296 /nfs/dbraw/zinc/92/82/96/1070928296.db2.gz KBUIIPLCWBJFKY-FXAWDEMLSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)c2)CCO1 ZINC000521452451 1070928285 /nfs/dbraw/zinc/92/82/85/1070928285.db2.gz KBUIIPLCWBJFKY-FXAWDEMLSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)c2)CCO1 ZINC000521452451 1070928275 /nfs/dbraw/zinc/92/82/75/1070928275.db2.gz KBUIIPLCWBJFKY-FXAWDEMLSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c2)CCO1 ZINC000521452452 1070928405 /nfs/dbraw/zinc/92/84/05/1070928405.db2.gz KBUIIPLCWBJFKY-PXNSSMCTSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)CCO1 ZINC000521452452 1070928402 /nfs/dbraw/zinc/92/84/02/1070928402.db2.gz KBUIIPLCWBJFKY-PXNSSMCTSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)c2)CCO1 ZINC000521452452 1070928390 /nfs/dbraw/zinc/92/83/90/1070928390.db2.gz KBUIIPLCWBJFKY-PXNSSMCTSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)c2)CCO1 ZINC000521452452 1070928381 /nfs/dbraw/zinc/92/83/81/1070928381.db2.gz KBUIIPLCWBJFKY-PXNSSMCTSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c2)CCO1 ZINC000521452453 1070929059 /nfs/dbraw/zinc/92/90/59/1070929059.db2.gz KBUIIPLCWBJFKY-XLIONFOSSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)CCO1 ZINC000521452453 1070929042 /nfs/dbraw/zinc/92/90/42/1070929042.db2.gz KBUIIPLCWBJFKY-XLIONFOSSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)c2)CCO1 ZINC000521452453 1070929026 /nfs/dbraw/zinc/92/90/26/1070929026.db2.gz KBUIIPLCWBJFKY-XLIONFOSSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)c2)CCO1 ZINC000521452453 1070929015 /nfs/dbraw/zinc/92/90/15/1070929015.db2.gz KBUIIPLCWBJFKY-XLIONFOSSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2)CCO1 ZINC000521452454 1070928973 /nfs/dbraw/zinc/92/89/73/1070928973.db2.gz KBUIIPLCWBJFKY-YLJYHZDGSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)CCO1 ZINC000521452454 1070928970 /nfs/dbraw/zinc/92/89/70/1070928970.db2.gz KBUIIPLCWBJFKY-YLJYHZDGSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)c2)CCO1 ZINC000521452454 1070928953 /nfs/dbraw/zinc/92/89/53/1070928953.db2.gz KBUIIPLCWBJFKY-YLJYHZDGSA-N 2 2 417.554 -0.115 20 0 HBADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)c2)CCO1 ZINC000521452454 1070928946 /nfs/dbraw/zinc/92/89/46/1070928946.db2.gz KBUIIPLCWBJFKY-YLJYHZDGSA-N 2 2 417.554 -0.115 20 0 HBADLP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC000521508551 1070932701 /nfs/dbraw/zinc/93/27/01/1070932701.db2.gz VFKAAFPBQQZWMK-KRWDZBQOSA-N 2 2 417.510 -0.081 20 0 HBADLP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC000521508557 1070932554 /nfs/dbraw/zinc/93/25/54/1070932554.db2.gz VFKAAFPBQQZWMK-QGZVFWFLSA-N 2 2 417.510 -0.081 20 0 HBADLP CN(C(=O)CCCN1C(=O)CCC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521575130 1070937373 /nfs/dbraw/zinc/93/73/73/1070937373.db2.gz OQUMIHCHFBOIJB-UHFFFAOYSA-N 2 2 421.542 -0.388 20 0 HBADLP CN(C(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521575661 1070937167 /nfs/dbraw/zinc/93/71/67/1070937167.db2.gz XQGOFWOBKLZVAB-INIZCTEOSA-N 2 2 405.543 -0.306 20 0 HBADLP CN(C(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521575662 1070937274 /nfs/dbraw/zinc/93/72/74/1070937274.db2.gz XQGOFWOBKLZVAB-MRXNPFEDSA-N 2 2 405.543 -0.306 20 0 HBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000521651053 1070941846 /nfs/dbraw/zinc/94/18/46/1070941846.db2.gz PEYAGZFMBBMNRX-MSOLQXFVSA-N 2 2 411.591 -0.320 20 0 HBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000521651053 1070941837 /nfs/dbraw/zinc/94/18/37/1070941837.db2.gz PEYAGZFMBBMNRX-MSOLQXFVSA-N 2 2 411.591 -0.320 20 0 HBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000521651054 1070941974 /nfs/dbraw/zinc/94/19/74/1070941974.db2.gz PEYAGZFMBBMNRX-QZTJIDSGSA-N 2 2 411.591 -0.320 20 0 HBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000521651054 1070941971 /nfs/dbraw/zinc/94/19/71/1070941971.db2.gz PEYAGZFMBBMNRX-QZTJIDSGSA-N 2 2 411.591 -0.320 20 0 HBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000521651055 1070942195 /nfs/dbraw/zinc/94/21/95/1070942195.db2.gz PEYAGZFMBBMNRX-ROUUACIJSA-N 2 2 411.591 -0.320 20 0 HBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000521651055 1070942187 /nfs/dbraw/zinc/94/21/87/1070942187.db2.gz PEYAGZFMBBMNRX-ROUUACIJSA-N 2 2 411.591 -0.320 20 0 HBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000521651056 1070942047 /nfs/dbraw/zinc/94/20/47/1070942047.db2.gz PEYAGZFMBBMNRX-ZWKOTPCHSA-N 2 2 411.591 -0.320 20 0 HBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000521651056 1070942038 /nfs/dbraw/zinc/94/20/38/1070942038.db2.gz PEYAGZFMBBMNRX-ZWKOTPCHSA-N 2 2 411.591 -0.320 20 0 HBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000521876510 1070975106 /nfs/dbraw/zinc/97/51/06/1070975106.db2.gz IQAHFPNHNGIPOT-UHFFFAOYSA-N 2 2 410.563 -0.171 20 0 HBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000521917982 1070977263 /nfs/dbraw/zinc/97/72/63/1070977263.db2.gz PCUHEBSUHVABHY-KRWDZBQOSA-N 2 2 423.558 -0.726 20 0 HBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000521917983 1070977068 /nfs/dbraw/zinc/97/70/68/1070977068.db2.gz PCUHEBSUHVABHY-QGZVFWFLSA-N 2 2 423.558 -0.726 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)CC1 ZINC000522114686 1071016125 /nfs/dbraw/zinc/01/61/25/1071016125.db2.gz KKYHDYRALWJEHN-UHFFFAOYSA-N 2 2 420.558 -0.323 20 0 HBADLP Cc1nc(S(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1C ZINC000522190108 1071060377 /nfs/dbraw/zinc/06/03/77/1071060377.db2.gz NCKDZSFRDSVWDL-UHFFFAOYSA-N 2 2 400.549 -0.509 20 0 HBADLP Cc1nc(S(=O)(=O)NCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1C ZINC000522190108 1071060368 /nfs/dbraw/zinc/06/03/68/1071060368.db2.gz NCKDZSFRDSVWDL-UHFFFAOYSA-N 2 2 400.549 -0.509 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000522191304 1071063076 /nfs/dbraw/zinc/06/30/76/1071063076.db2.gz WHOWSSPIFDXALB-UHFFFAOYSA-N 2 2 404.515 -0.326 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000522191304 1071063066 /nfs/dbraw/zinc/06/30/66/1071063066.db2.gz WHOWSSPIFDXALB-UHFFFAOYSA-N 2 2 404.515 -0.326 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)CC1 ZINC000522693534 1071197289 /nfs/dbraw/zinc/19/72/89/1071197289.db2.gz KDMXLVLWQCTSNR-UHFFFAOYSA-N 2 2 419.534 -0.915 20 0 HBADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522935358 1071239936 /nfs/dbraw/zinc/23/99/36/1071239936.db2.gz OAWDPLUTTLDVQL-MSOLQXFVSA-N 2 2 408.543 -0.216 20 0 HBADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522935359 1071240232 /nfs/dbraw/zinc/24/02/32/1071240232.db2.gz OAWDPLUTTLDVQL-QZTJIDSGSA-N 2 2 408.543 -0.216 20 0 HBADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522935360 1071239917 /nfs/dbraw/zinc/23/99/17/1071239917.db2.gz OAWDPLUTTLDVQL-ROUUACIJSA-N 2 2 408.543 -0.216 20 0 HBADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522935361 1071240184 /nfs/dbraw/zinc/24/01/84/1071240184.db2.gz OAWDPLUTTLDVQL-ZWKOTPCHSA-N 2 2 408.543 -0.216 20 0 HBADLP Cn1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000523649619 1071367169 /nfs/dbraw/zinc/36/71/69/1071367169.db2.gz YGAAGBZAFBIXFX-UHFFFAOYSA-N 2 2 416.526 -0.136 20 0 HBADLP Cc1nc(S(=O)(=O)NCCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1C ZINC000523663303 1071371008 /nfs/dbraw/zinc/37/10/08/1071371008.db2.gz FZURDYNBVMLYPQ-UHFFFAOYSA-N 2 2 414.576 -0.119 20 0 HBADLP Cc1nc(S(=O)(=O)NCCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1C ZINC000523663303 1071370996 /nfs/dbraw/zinc/37/09/96/1071370996.db2.gz FZURDYNBVMLYPQ-UHFFFAOYSA-N 2 2 414.576 -0.119 20 0 HBADLP CC[N@@H+](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000523918816 1071399908 /nfs/dbraw/zinc/39/99/08/1071399908.db2.gz SJQIPZNWBWIZPT-UHFFFAOYSA-N 2 2 402.565 -0.710 20 0 HBADLP CC[N@H+](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000523918816 1071399892 /nfs/dbraw/zinc/39/98/92/1071399892.db2.gz SJQIPZNWBWIZPT-UHFFFAOYSA-N 2 2 402.565 -0.710 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000524496293 1071446278 /nfs/dbraw/zinc/44/62/78/1071446278.db2.gz LPTVBWMYMNZAOZ-UHFFFAOYSA-N 2 2 422.574 -0.264 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CCN([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000524575414 1071453663 /nfs/dbraw/zinc/45/36/63/1071453663.db2.gz RSDNJJIQLZKBEF-GOSISDBHSA-N 2 2 407.559 -0.058 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000524575414 1071453656 /nfs/dbraw/zinc/45/36/56/1071453656.db2.gz RSDNJJIQLZKBEF-GOSISDBHSA-N 3 2 407.559 -0.058 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CCN([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000524575415 1071453707 /nfs/dbraw/zinc/45/37/07/1071453707.db2.gz RSDNJJIQLZKBEF-SFHVURJKSA-N 2 2 407.559 -0.058 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)CC1 ZINC000524575415 1071453703 /nfs/dbraw/zinc/45/37/03/1071453703.db2.gz RSDNJJIQLZKBEF-SFHVURJKSA-N 3 2 407.559 -0.058 20 0 HBADLP C[NH+]1CCC(O)(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000524930126 1071486389 /nfs/dbraw/zinc/48/63/89/1071486389.db2.gz IQMOUOCKUVTUNF-UHFFFAOYSA-N 2 2 404.515 -0.124 20 0 HBADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)c2)CC1 ZINC000525429000 1071529458 /nfs/dbraw/zinc/52/94/58/1071529458.db2.gz HRNWCVHCMSIRSZ-UHFFFAOYSA-N 2 2 403.527 -0.055 20 0 HBADLP OCC[NH+]1CCN(c2cc(C(F)(F)F)nc(N3CC[NH+](CCO)CC3)n2)CC1 ZINC000525642449 1068784859 /nfs/dbraw/zinc/78/48/59/1068784859.db2.gz WOTLSBRKJZQGMW-UHFFFAOYSA-N 2 2 404.437 -0.276 20 0 HBADLP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000525688608 1068965230 /nfs/dbraw/zinc/96/52/30/1068965230.db2.gz GVFBSRQXIRWRHD-GOSISDBHSA-N 3 2 407.559 -0.058 20 0 HBADLP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000525688609 1068965378 /nfs/dbraw/zinc/96/53/78/1068965378.db2.gz GVFBSRQXIRWRHD-SFHVURJKSA-N 3 2 407.559 -0.058 20 0 HBADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000525902137 1068983751 /nfs/dbraw/zinc/98/37/51/1068983751.db2.gz YSSKAVYPRGVKIF-INIZCTEOSA-N 2 2 408.499 -0.153 20 0 HBADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000525902138 1068984452 /nfs/dbraw/zinc/98/44/52/1068984452.db2.gz YSSKAVYPRGVKIF-MRXNPFEDSA-N 2 2 408.499 -0.153 20 0 HBADLP O=C(CC1(CC(=O)N2CC[NH+](CCO)CC2)CCCC1)N1CC[NH+](CCO)CC1 ZINC000530906783 1069096094 /nfs/dbraw/zinc/09/60/94/1069096094.db2.gz YUIVAWYSONTOFO-UHFFFAOYSA-N 2 2 410.559 -0.400 20 0 HBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531062878 1069100866 /nfs/dbraw/zinc/10/08/66/1069100866.db2.gz PFQJIMBVKYUJBN-DENIHFKCSA-N 2 2 416.522 -0.327 20 0 HBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062878 1069100860 /nfs/dbraw/zinc/10/08/60/1069100860.db2.gz PFQJIMBVKYUJBN-DENIHFKCSA-N 2 2 416.522 -0.327 20 0 HBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531062884 1069100567 /nfs/dbraw/zinc/10/05/67/1069100567.db2.gz PFQJIMBVKYUJBN-KNQAVFIVSA-N 2 2 416.522 -0.327 20 0 HBADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062884 1069100559 /nfs/dbraw/zinc/10/05/59/1069100559.db2.gz PFQJIMBVKYUJBN-KNQAVFIVSA-N 2 2 416.522 -0.327 20 0 HBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531062887 1069100672 /nfs/dbraw/zinc/10/06/72/1069100672.db2.gz PFQJIMBVKYUJBN-SIKLNZKXSA-N 2 2 416.522 -0.327 20 0 HBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062887 1069100664 /nfs/dbraw/zinc/10/06/64/1069100664.db2.gz PFQJIMBVKYUJBN-SIKLNZKXSA-N 2 2 416.522 -0.327 20 0 HBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531062888 1069101598 /nfs/dbraw/zinc/10/15/98/1069101598.db2.gz PFQJIMBVKYUJBN-UGKGYDQZSA-N 2 2 416.522 -0.327 20 0 HBADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062888 1069101594 /nfs/dbraw/zinc/10/15/94/1069101594.db2.gz PFQJIMBVKYUJBN-UGKGYDQZSA-N 2 2 416.522 -0.327 20 0 HBADLP CC(=O)N1CC[C@](C)(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000531090169 1068646602 /nfs/dbraw/zinc/64/66/02/1068646602.db2.gz VZNAMTCTIVWZRQ-NRFANRHFSA-N 2 2 407.559 -0.058 20 0 HBADLP CC(=O)N1CC[C@@](C)(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000531090171 1069102106 /nfs/dbraw/zinc/10/21/06/1069102106.db2.gz VZNAMTCTIVWZRQ-OAQYLSRUSA-N 2 2 407.559 -0.058 20 0 HBADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000531246049 1069106925 /nfs/dbraw/zinc/10/69/25/1069106925.db2.gz CGGROZAFNVDBJB-KRWDZBQOSA-N 2 2 416.592 -0.464 20 0 HBADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000531246049 1069106917 /nfs/dbraw/zinc/10/69/17/1069106917.db2.gz CGGROZAFNVDBJB-KRWDZBQOSA-N 2 2 416.592 -0.464 20 0 HBADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000531246050 1069107440 /nfs/dbraw/zinc/10/74/40/1069107440.db2.gz CGGROZAFNVDBJB-QGZVFWFLSA-N 2 2 416.592 -0.464 20 0 HBADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000531246050 1069107436 /nfs/dbraw/zinc/10/74/36/1069107436.db2.gz CGGROZAFNVDBJB-QGZVFWFLSA-N 2 2 416.592 -0.464 20 0 HBADLP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000531267778 1069108269 /nfs/dbraw/zinc/10/82/69/1069108269.db2.gz DGPNCBDXZRHVQZ-GOSISDBHSA-N 2 2 423.558 -0.917 20 0 HBADLP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000531267779 1069108424 /nfs/dbraw/zinc/10/84/24/1069108424.db2.gz DGPNCBDXZRHVQZ-SFHVURJKSA-N 2 2 423.558 -0.917 20 0 HBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000531357597 1069111770 /nfs/dbraw/zinc/11/17/70/1069111770.db2.gz GXVPFXILUPAKAS-UHFFFAOYSA-N 2 2 407.500 -0.337 20 0 HBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC000532093580 1069142181 /nfs/dbraw/zinc/14/21/81/1069142181.db2.gz OYLCLFUGTRRTMT-PMACEKPBSA-N 2 2 421.586 -0.206 20 0 HBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC000532093581 1069142462 /nfs/dbraw/zinc/14/24/62/1069142462.db2.gz OYLCLFUGTRRTMT-UXHICEINSA-N 2 2 421.586 -0.206 20 0 HBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC000532093582 1069142551 /nfs/dbraw/zinc/14/25/51/1069142551.db2.gz OYLCLFUGTRRTMT-VQTJNVASSA-N 2 2 421.586 -0.206 20 0 HBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC000532093583 1069142352 /nfs/dbraw/zinc/14/23/52/1069142352.db2.gz OYLCLFUGTRRTMT-WOJBJXKFSA-N 2 2 421.586 -0.206 20 0 HBADLP C[NH+]1CCN(c2ncc(C[NH2+]CCS(=O)(=O)NC[C@@H]3CCCCO3)cn2)CC1 ZINC000532139727 1069145752 /nfs/dbraw/zinc/14/57/52/1069145752.db2.gz LSHLSCJHTRTLJU-KRWDZBQOSA-N 2 2 412.560 -0.194 20 0 HBADLP C[NH+]1CCN(c2ncc(C[NH2+]CCS(=O)(=O)NC[C@H]3CCCCO3)cn2)CC1 ZINC000532139728 1069145641 /nfs/dbraw/zinc/14/56/41/1069145641.db2.gz LSHLSCJHTRTLJU-QGZVFWFLSA-N 2 2 412.560 -0.194 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000532539622 1069203466 /nfs/dbraw/zinc/20/34/66/1069203466.db2.gz GCSVOMSHYFYMRA-AWEZNQCLSA-N 2 2 400.487 -0.258 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000532539622 1069203456 /nfs/dbraw/zinc/20/34/56/1069203456.db2.gz GCSVOMSHYFYMRA-AWEZNQCLSA-N 2 2 400.487 -0.258 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000532539623 1069203337 /nfs/dbraw/zinc/20/33/37/1069203337.db2.gz GCSVOMSHYFYMRA-CQSZACIVSA-N 2 2 400.487 -0.258 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000532539623 1069203321 /nfs/dbraw/zinc/20/33/21/1069203321.db2.gz GCSVOMSHYFYMRA-CQSZACIVSA-N 2 2 400.487 -0.258 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000532547308 1069203922 /nfs/dbraw/zinc/20/39/22/1069203922.db2.gz MSIYXNLQZVUCLC-UHFFFAOYSA-N 2 2 416.530 -0.600 20 0 HBADLP Cn1c2ncn(CC[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000532556674 1069205358 /nfs/dbraw/zinc/20/53/58/1069205358.db2.gz VNSIUEOZWXIQJC-INIZCTEOSA-N 2 2 403.531 -0.464 20 0 HBADLP Cn1c2ncn(CC[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000532556674 1069205353 /nfs/dbraw/zinc/20/53/53/1069205353.db2.gz VNSIUEOZWXIQJC-INIZCTEOSA-N 2 2 403.531 -0.464 20 0 HBADLP Cn1c2ncn(CC[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000532556675 1069205517 /nfs/dbraw/zinc/20/55/17/1069205517.db2.gz VNSIUEOZWXIQJC-MRXNPFEDSA-N 2 2 403.531 -0.464 20 0 HBADLP Cn1c2ncn(CC[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2c(=O)n(C)c1=O ZINC000532556675 1069205504 /nfs/dbraw/zinc/20/55/04/1069205504.db2.gz VNSIUEOZWXIQJC-MRXNPFEDSA-N 2 2 403.531 -0.464 20 0 HBADLP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000532557503 1069204143 /nfs/dbraw/zinc/20/41/43/1069204143.db2.gz IRWMISACAWJKJP-AWEZNQCLSA-N 2 2 400.487 -0.530 20 0 HBADLP CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000532557503 1069204135 /nfs/dbraw/zinc/20/41/35/1069204135.db2.gz IRWMISACAWJKJP-AWEZNQCLSA-N 2 2 400.487 -0.530 20 0 HBADLP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000532557515 1069204930 /nfs/dbraw/zinc/20/49/30/1069204930.db2.gz IRWMISACAWJKJP-CQSZACIVSA-N 2 2 400.487 -0.530 20 0 HBADLP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000532557515 1069204924 /nfs/dbraw/zinc/20/49/24/1069204924.db2.gz IRWMISACAWJKJP-CQSZACIVSA-N 2 2 400.487 -0.530 20 0 HBADLP C[NH+](CCn1cccn1)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCn2cccn2)CC1 ZINC000532581525 1069205638 /nfs/dbraw/zinc/20/56/38/1069205638.db2.gz WVFDISANMAWJRA-UHFFFAOYSA-N 2 2 416.530 -0.686 20 0 HBADLP C[NH+](CCn1cccn1)CC(=O)N1CCN(C(=O)C[N@H+](C)CCn2cccn2)CC1 ZINC000532581525 1069205626 /nfs/dbraw/zinc/20/56/26/1069205626.db2.gz WVFDISANMAWJRA-UHFFFAOYSA-N 2 2 416.530 -0.686 20 0 HBADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCCCN3CCCC3=O)CC2)CC1 ZINC000532702185 1069225125 /nfs/dbraw/zinc/22/51/25/1069225125.db2.gz HREKRWPPDUPYSY-UHFFFAOYSA-N 2 2 407.559 -0.009 20 0 HBADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000532703509 1069225641 /nfs/dbraw/zinc/22/56/41/1069225641.db2.gz WGFMAEREUFAKNB-IBGZPJMESA-N 2 2 407.559 -0.010 20 0 HBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000532703510 1069225599 /nfs/dbraw/zinc/22/55/99/1069225599.db2.gz WGFMAEREUFAKNB-LJQANCHMSA-N 2 2 407.559 -0.010 20 0 HBADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)CC1 ZINC000532704085 1069226285 /nfs/dbraw/zinc/22/62/85/1069226285.db2.gz YJTKCUKKGKUOSK-UHFFFAOYSA-N 2 2 419.570 -0.057 20 0 HBADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CC(=O)N(CCN4CCOCC4)C3)cn2)CC1 ZINC000532931628 1069246437 /nfs/dbraw/zinc/24/64/37/1069246437.db2.gz WMUXIPYEQGINLI-GOSISDBHSA-N 2 2 403.531 -0.749 20 0 HBADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CC(=O)N(CCN4CCOCC4)C3)cn2)CC1 ZINC000532931634 1069246346 /nfs/dbraw/zinc/24/63/46/1069246346.db2.gz WMUXIPYEQGINLI-SFHVURJKSA-N 2 2 403.531 -0.749 20 0 HBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532944680 1069247626 /nfs/dbraw/zinc/24/76/26/1069247626.db2.gz OYQKONAFYHTLAY-CALCHBBNSA-N 2 2 417.558 -0.076 20 0 HBADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532944680 1069247616 /nfs/dbraw/zinc/24/76/16/1069247616.db2.gz OYQKONAFYHTLAY-CALCHBBNSA-N 2 2 417.558 -0.076 20 0 HBADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532944681 1069247393 /nfs/dbraw/zinc/24/73/93/1069247393.db2.gz OYQKONAFYHTLAY-IAGOWNOFSA-N 2 2 417.558 -0.076 20 0 HBADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532944682 1069247238 /nfs/dbraw/zinc/24/72/38/1069247238.db2.gz OYQKONAFYHTLAY-IRXDYDNUSA-N 2 2 417.558 -0.076 20 0 HBADLP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000532957187 1069248638 /nfs/dbraw/zinc/24/86/38/1069248638.db2.gz PUHKPORFNKLEIF-KBPBESRZSA-N 2 2 407.515 -0.330 20 0 HBADLP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000532957188 1069248558 /nfs/dbraw/zinc/24/85/58/1069248558.db2.gz PUHKPORFNKLEIF-OKILXGFUSA-N 2 2 407.515 -0.330 20 0 HBADLP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000532957188 1069248546 /nfs/dbraw/zinc/24/85/46/1069248546.db2.gz PUHKPORFNKLEIF-OKILXGFUSA-N 2 2 407.515 -0.330 20 0 HBADLP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000532957189 1069248770 /nfs/dbraw/zinc/24/87/70/1069248770.db2.gz PUHKPORFNKLEIF-ZIAGYGMSSA-N 2 2 407.515 -0.330 20 0 HBADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533270693 1069270221 /nfs/dbraw/zinc/27/02/21/1069270221.db2.gz HWUFVDXVRJGJMN-KBPBESRZSA-N 2 2 400.487 -0.402 20 0 HBADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533270693 1069270212 /nfs/dbraw/zinc/27/02/12/1069270212.db2.gz HWUFVDXVRJGJMN-KBPBESRZSA-N 2 2 400.487 -0.402 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533270695 1069270058 /nfs/dbraw/zinc/27/00/58/1069270058.db2.gz HWUFVDXVRJGJMN-KGLIPLIRSA-N 2 2 400.487 -0.402 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533270695 1069270050 /nfs/dbraw/zinc/27/00/50/1069270050.db2.gz HWUFVDXVRJGJMN-KGLIPLIRSA-N 2 2 400.487 -0.402 20 0 HBADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533270697 1069270348 /nfs/dbraw/zinc/27/03/48/1069270348.db2.gz HWUFVDXVRJGJMN-UONOGXRCSA-N 2 2 400.487 -0.402 20 0 HBADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533270697 1069270340 /nfs/dbraw/zinc/27/03/40/1069270340.db2.gz HWUFVDXVRJGJMN-UONOGXRCSA-N 2 2 400.487 -0.402 20 0 HBADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533270698 1069271037 /nfs/dbraw/zinc/27/10/37/1069271037.db2.gz HWUFVDXVRJGJMN-ZIAGYGMSSA-N 2 2 400.487 -0.402 20 0 HBADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533270698 1069271026 /nfs/dbraw/zinc/27/10/26/1069271026.db2.gz HWUFVDXVRJGJMN-ZIAGYGMSSA-N 2 2 400.487 -0.402 20 0 HBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000533320028 1069543709 /nfs/dbraw/zinc/54/37/09/1069543709.db2.gz KJSMUKGICPHDSH-KRWDZBQOSA-N 2 2 422.530 -0.277 20 0 HBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000533320029 1069543902 /nfs/dbraw/zinc/54/39/02/1069543902.db2.gz KJSMUKGICPHDSH-QGZVFWFLSA-N 2 2 422.530 -0.277 20 0 HBADLP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533455678 1069287014 /nfs/dbraw/zinc/28/70/14/1069287014.db2.gz CRWCIGJUCFMCLZ-GOSISDBHSA-N 2 2 422.530 -0.637 20 0 HBADLP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533455680 1069287097 /nfs/dbraw/zinc/28/70/97/1069287097.db2.gz CRWCIGJUCFMCLZ-SFHVURJKSA-N 2 2 422.530 -0.637 20 0 HBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000533457459 1069286855 /nfs/dbraw/zinc/28/68/55/1069286855.db2.gz QRKWCAVJIIEEHJ-GOSISDBHSA-N 2 2 422.530 -0.277 20 0 HBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000533457460 1069287499 /nfs/dbraw/zinc/28/74/99/1069287499.db2.gz QRKWCAVJIIEEHJ-SFHVURJKSA-N 2 2 422.530 -0.277 20 0 HBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495011 1069289569 /nfs/dbraw/zinc/28/95/69/1069289569.db2.gz OBTANJMSMUOFOB-DLBZAZTESA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495011 1069289560 /nfs/dbraw/zinc/28/95/60/1069289560.db2.gz OBTANJMSMUOFOB-DLBZAZTESA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495011 1069289551 /nfs/dbraw/zinc/28/95/51/1069289551.db2.gz OBTANJMSMUOFOB-DLBZAZTESA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495011 1069289543 /nfs/dbraw/zinc/28/95/43/1069289543.db2.gz OBTANJMSMUOFOB-DLBZAZTESA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495018 1069289367 /nfs/dbraw/zinc/28/93/67/1069289367.db2.gz OBTANJMSMUOFOB-IRXDYDNUSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495018 1069289358 /nfs/dbraw/zinc/28/93/58/1069289358.db2.gz OBTANJMSMUOFOB-IRXDYDNUSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495018 1069289352 /nfs/dbraw/zinc/28/93/52/1069289352.db2.gz OBTANJMSMUOFOB-IRXDYDNUSA-N 2 2 404.577 -0.279 20 0 HBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000533495018 1069289343 /nfs/dbraw/zinc/28/93/43/1069289343.db2.gz OBTANJMSMUOFOB-IRXDYDNUSA-N 2 2 404.577 -0.279 20 0 HBADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000533812234 1068435013 /nfs/dbraw/zinc/43/50/13/1068435013.db2.gz AQYZRGIOLGMDAK-GOSISDBHSA-N 2 2 405.547 -0.009 20 0 HBADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000533812236 1068434937 /nfs/dbraw/zinc/43/49/37/1068434937.db2.gz AQYZRGIOLGMDAK-SFHVURJKSA-N 2 2 405.547 -0.009 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000533812393 1068435638 /nfs/dbraw/zinc/43/56/38/1068435638.db2.gz GABHUTFQQFHGDJ-UHFFFAOYSA-N 2 2 418.546 -0.550 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000533813250 1069320100 /nfs/dbraw/zinc/32/01/00/1069320100.db2.gz WDUOYIHSZCLFMP-INIZCTEOSA-N 2 2 404.519 -0.762 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000533813250 1069320084 /nfs/dbraw/zinc/32/00/84/1069320084.db2.gz WDUOYIHSZCLFMP-INIZCTEOSA-N 2 2 404.519 -0.762 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000533813255 1069320459 /nfs/dbraw/zinc/32/04/59/1069320459.db2.gz WDUOYIHSZCLFMP-MRXNPFEDSA-N 2 2 404.519 -0.762 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000533813255 1069320445 /nfs/dbraw/zinc/32/04/45/1069320445.db2.gz WDUOYIHSZCLFMP-MRXNPFEDSA-N 2 2 404.519 -0.762 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(OCCO)CC2)CC1 ZINC000533834380 1069322274 /nfs/dbraw/zinc/32/22/74/1069322274.db2.gz INNQNAIURJAZAR-UHFFFAOYSA-N 2 2 403.487 -0.515 20 0 HBADLP O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000534099383 1071198735 /nfs/dbraw/zinc/19/87/35/1071198735.db2.gz VWCDDKTUPLDOAG-UHFFFAOYSA-N 2 2 407.515 -0.188 20 0 HBADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000534219170 1071205567 /nfs/dbraw/zinc/20/55/67/1071205567.db2.gz OEPLTAYVWZGCFA-UHFFFAOYSA-N 2 2 409.556 -0.208 20 0 HBADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000534219170 1071205559 /nfs/dbraw/zinc/20/55/59/1071205559.db2.gz OEPLTAYVWZGCFA-UHFFFAOYSA-N 2 2 409.556 -0.208 20 0 HBADLP Nc1nsc(N2CC[NH+](CCCC[NH+]3CCN(c4nc(N)ns4)CC3)CC2)n1 ZINC000534273599 1071208518 /nfs/dbraw/zinc/20/85/18/1071208518.db2.gz VPACILODDRDIFN-UHFFFAOYSA-N 2 2 424.604 -0.061 20 0 HBADLP CN(C)c1[nH+]cc(CNC(=O)CSCC(=O)NCc2c[nH+]c(N(C)C)n2C)n1C ZINC000534524807 1071217998 /nfs/dbraw/zinc/21/79/98/1071217998.db2.gz BDJJCXHPVOJYDX-UHFFFAOYSA-N 2 2 422.559 -0.049 20 0 HBADLP CC[C@H](CO)[NH+]1CCN(C(=O)C2(C(=O)N3CC[NH+]([C@@H](CC)CO)CC3)CCC2)CC1 ZINC000534713759 1071226997 /nfs/dbraw/zinc/22/69/97/1071226997.db2.gz FNGRDEDHNRTMDE-KDURUIRLSA-N 2 2 424.586 -0.013 20 0 HBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C2(C(=O)N3CC[NH+]([C@@H](CC)CO)CC3)CCC2)CC1 ZINC000534713775 1071227127 /nfs/dbraw/zinc/22/71/27/1071227127.db2.gz FNGRDEDHNRTMDE-OALUTQOASA-N 2 2 424.586 -0.013 20 0 HBADLP CC[C@H](CO)[NH+]1CCN(C(=O)C2(C(=O)N3CC[NH+]([C@H](CC)CO)CC3)CCC2)CC1 ZINC000534713777 1071227245 /nfs/dbraw/zinc/22/72/45/1071227245.db2.gz FNGRDEDHNRTMDE-RTBURBONSA-N 2 2 424.586 -0.013 20 0 HBADLP C[NH+](C)C1CCN(CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000534718554 1071227326 /nfs/dbraw/zinc/22/73/26/1071227326.db2.gz ROJGKLCLTXHYJK-UHFFFAOYSA-N 2 2 404.563 -0.076 20 0 HBADLP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000534981009 1071239422 /nfs/dbraw/zinc/23/94/22/1071239422.db2.gz WWMQBVSUHJBLHE-GOSISDBHSA-N 2 2 419.526 -0.181 20 0 HBADLP C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000534981010 1071239503 /nfs/dbraw/zinc/23/95/03/1071239503.db2.gz WWMQBVSUHJBLHE-SFHVURJKSA-N 2 2 419.526 -0.181 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535261653 1071246686 /nfs/dbraw/zinc/24/66/86/1071246686.db2.gz OUCSNAGAAXDKHJ-KRWDZBQOSA-N 2 2 418.546 -0.515 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535261653 1071246682 /nfs/dbraw/zinc/24/66/82/1071246682.db2.gz OUCSNAGAAXDKHJ-KRWDZBQOSA-N 2 2 418.546 -0.515 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535261668 1071246617 /nfs/dbraw/zinc/24/66/17/1071246617.db2.gz OUCSNAGAAXDKHJ-QGZVFWFLSA-N 2 2 418.546 -0.515 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535261668 1071246614 /nfs/dbraw/zinc/24/66/14/1071246614.db2.gz OUCSNAGAAXDKHJ-QGZVFWFLSA-N 2 2 418.546 -0.515 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000535320953 1071249261 /nfs/dbraw/zinc/24/92/61/1071249261.db2.gz JOMWGDLRQMDFJL-IYWMVGAKSA-N 2 2 422.618 -0.483 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000535320953 1071249236 /nfs/dbraw/zinc/24/92/36/1071249236.db2.gz JOMWGDLRQMDFJL-IYWMVGAKSA-N 2 2 422.618 -0.483 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000535320953 1071249227 /nfs/dbraw/zinc/24/92/27/1071249227.db2.gz JOMWGDLRQMDFJL-IYWMVGAKSA-N 2 2 422.618 -0.483 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000535320953 1071249212 /nfs/dbraw/zinc/24/92/12/1071249212.db2.gz JOMWGDLRQMDFJL-IYWMVGAKSA-N 2 2 422.618 -0.483 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000535320962 1071249109 /nfs/dbraw/zinc/24/91/09/1071249109.db2.gz JOMWGDLRQMDFJL-UAFMIMERSA-N 2 2 422.618 -0.483 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000535320962 1071249095 /nfs/dbraw/zinc/24/90/95/1071249095.db2.gz JOMWGDLRQMDFJL-UAFMIMERSA-N 2 2 422.618 -0.483 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000535320963 1071248997 /nfs/dbraw/zinc/24/89/97/1071248997.db2.gz JOMWGDLRQMDFJL-VNTMZGSJSA-N 2 2 422.618 -0.483 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000535320963 1071248978 /nfs/dbraw/zinc/24/89/78/1071248978.db2.gz JOMWGDLRQMDFJL-VNTMZGSJSA-N 2 2 422.618 -0.483 20 0 HBADLP C[NH+]1CCN(c2cc(C(=O)NCCCCN3CC[NH+](CCO)CC3)ccn2)CC1 ZINC000535431096 1071254860 /nfs/dbraw/zinc/25/48/60/1071254860.db2.gz RUGIOQKLOVCKOP-UHFFFAOYSA-N 2 2 404.559 -0.047 20 0 HBADLP C[NH+]1CCN(c2cc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)ccn2)CC1 ZINC000535431096 1071254849 /nfs/dbraw/zinc/25/48/49/1071254849.db2.gz RUGIOQKLOVCKOP-UHFFFAOYSA-N 2 2 404.559 -0.047 20 0 HBADLP CN(C(=O)c1ccc2n[nH]c(=O)n2c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000535703372 1068593944 /nfs/dbraw/zinc/59/39/44/1068593944.db2.gz ZCYCUZURUSMFCI-UHFFFAOYSA-N 2 2 415.498 -0.255 20 0 HBADLP CC[C@H](CO)[NH+]1CCN(C(=O)CCCC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000536224736 1069198639 /nfs/dbraw/zinc/19/86/39/1069198639.db2.gz GVLRHIDSBZLMGA-KDURUIRLSA-N 2 2 412.575 -0.013 20 0 HBADLP CN(c1nc2c(cnn2C)c(=O)[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000536646811 1069326452 /nfs/dbraw/zinc/32/64/52/1069326452.db2.gz UMNPCUJIXFHWRJ-UHFFFAOYSA-N 2 2 402.503 -0.257 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)ccn2)CC1 ZINC000537277487 1069348644 /nfs/dbraw/zinc/34/86/44/1069348644.db2.gz HLBWDDXODNKVIK-KRWDZBQOSA-N 2 2 412.494 -0.120 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)ccn2)CC1 ZINC000537277488 1069348713 /nfs/dbraw/zinc/34/87/13/1069348713.db2.gz HLBWDDXODNKVIK-QGZVFWFLSA-N 2 2 412.494 -0.120 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)ccn2)CC1 ZINC000537279194 1069348975 /nfs/dbraw/zinc/34/89/75/1069348975.db2.gz JBUHHCGCNFSZAM-UHFFFAOYSA-N 2 2 411.466 -0.547 20 0 HBADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000537281644 1069349156 /nfs/dbraw/zinc/34/91/56/1069349156.db2.gz SQNJXPWARWGXAT-INIZCTEOSA-N 2 2 402.499 -0.040 20 0 HBADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000537281649 1069349212 /nfs/dbraw/zinc/34/92/12/1069349212.db2.gz SQNJXPWARWGXAT-MRXNPFEDSA-N 2 2 402.499 -0.040 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[NH+](CC4CC4)CC3)ccn2)CC1 ZINC000537287205 1069349555 /nfs/dbraw/zinc/34/95/55/1069349555.db2.gz ZHWIIHXYYRKKQY-UHFFFAOYSA-N 2 2 414.510 -0.038 20 0 HBADLP CC(C)[NH+]1CCC(NC(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)CC1 ZINC000537426602 1069359720 /nfs/dbraw/zinc/35/97/20/1069359720.db2.gz GTSPVLVACXXFDM-UHFFFAOYSA-N 2 2 423.514 -0.512 20 0 HBADLP O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC1CC[NH+](C2CC2)CC1 ZINC000537427057 1069359248 /nfs/dbraw/zinc/35/92/48/1069359248.db2.gz KBWKBZWYPOCEGX-UHFFFAOYSA-N 2 2 421.498 -0.758 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000537437978 1069358807 /nfs/dbraw/zinc/35/88/07/1069358807.db2.gz IRLHNGZSIIDUHB-NRFANRHFSA-N 2 2 419.526 -0.282 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000537437979 1069359017 /nfs/dbraw/zinc/35/90/17/1069359017.db2.gz IRLHNGZSIIDUHB-OAQYLSRUSA-N 2 2 419.526 -0.282 20 0 HBADLP CCNS(=O)(=O)[C@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000537798549 1069609460 /nfs/dbraw/zinc/60/94/60/1069609460.db2.gz FKJFILIWVMLOPA-HOTGVXAUSA-N 2 2 410.606 -0.350 20 0 HBADLP CCNS(=O)(=O)[C@H]1CC[NH+](CC(C)C[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000537798549 1069609454 /nfs/dbraw/zinc/60/94/54/1069609454.db2.gz FKJFILIWVMLOPA-HOTGVXAUSA-N 2 2 410.606 -0.350 20 0 HBADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000537798550 1069609515 /nfs/dbraw/zinc/60/95/15/1069609515.db2.gz FKJFILIWVMLOPA-HZPDHXFCSA-N 2 2 410.606 -0.350 20 0 HBADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CC(C)C[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000537798550 1069609504 /nfs/dbraw/zinc/60/95/04/1069609504.db2.gz FKJFILIWVMLOPA-HZPDHXFCSA-N 2 2 410.606 -0.350 20 0 HBADLP COCCNc1nc(NC[C@H]2CCC[NH+](C)C2)[nH+]c(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000538086531 1069633378 /nfs/dbraw/zinc/63/33/78/1069633378.db2.gz KEMWJBZWKBNKBG-IAGOWNOFSA-N 3 2 406.579 -0.297 20 0 HBADLP COCCNc1nc(NC[C@H]2CCC[NH+](C)C2)[nH+]c(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000538086531 1069633371 /nfs/dbraw/zinc/63/33/71/1069633371.db2.gz KEMWJBZWKBNKBG-IAGOWNOFSA-N 3 2 406.579 -0.297 20 0 HBADLP COCCNc1nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]c(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000538086532 1069633527 /nfs/dbraw/zinc/63/35/27/1069633527.db2.gz KEMWJBZWKBNKBG-IRXDYDNUSA-N 3 2 406.579 -0.297 20 0 HBADLP COCCNc1nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]c(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000538086532 1069633522 /nfs/dbraw/zinc/63/35/22/1069633522.db2.gz KEMWJBZWKBNKBG-IRXDYDNUSA-N 3 2 406.579 -0.297 20 0 HBADLP CS[C@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1[NH+](C)C ZINC000538376725 1069661315 /nfs/dbraw/zinc/66/13/15/1069661315.db2.gz OCWUYQQIAAQYRC-CVEARBPZSA-N 2 2 418.571 -0.011 20 0 HBADLP CS[C@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1[NH+](C)C ZINC000538376726 1069661348 /nfs/dbraw/zinc/66/13/48/1069661348.db2.gz OCWUYQQIAAQYRC-HOTGVXAUSA-N 2 2 418.571 -0.011 20 0 HBADLP CS[C@@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1[NH+](C)C ZINC000538376727 1069661408 /nfs/dbraw/zinc/66/14/08/1069661408.db2.gz OCWUYQQIAAQYRC-HZPDHXFCSA-N 2 2 418.571 -0.011 20 0 HBADLP CS[C@@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1[NH+](C)C ZINC000538376728 1069661340 /nfs/dbraw/zinc/66/13/40/1069661340.db2.gz OCWUYQQIAAQYRC-JKSUJKDBSA-N 2 2 418.571 -0.011 20 0 HBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000538377191 1069660576 /nfs/dbraw/zinc/66/05/76/1069660576.db2.gz WRDFGRFEDKQFKQ-KRWDZBQOSA-N 2 2 402.499 -0.136 20 0 HBADLP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000538377192 1069661358 /nfs/dbraw/zinc/66/13/58/1069661358.db2.gz WRDFGRFEDKQFKQ-QGZVFWFLSA-N 2 2 402.499 -0.136 20 0 HBADLP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000538382037 1069658863 /nfs/dbraw/zinc/65/88/63/1069658863.db2.gz HTSOLXPAVFEROL-HNNXBMFYSA-N 2 2 402.499 -0.134 20 0 HBADLP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000538382037 1069658857 /nfs/dbraw/zinc/65/88/57/1069658857.db2.gz HTSOLXPAVFEROL-HNNXBMFYSA-N 2 2 402.499 -0.134 20 0 HBADLP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000538382038 1069659029 /nfs/dbraw/zinc/65/90/29/1069659029.db2.gz HTSOLXPAVFEROL-OAHLLOKOSA-N 2 2 402.499 -0.134 20 0 HBADLP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000538382038 1069659025 /nfs/dbraw/zinc/65/90/25/1069659025.db2.gz HTSOLXPAVFEROL-OAHLLOKOSA-N 2 2 402.499 -0.134 20 0 HBADLP Cn1cc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(=O)n(C)c1=O ZINC000538409966 1069664931 /nfs/dbraw/zinc/66/49/31/1069664931.db2.gz ICKHTYULJIKPFE-INIZCTEOSA-N 2 2 415.498 -0.531 20 0 HBADLP Cn1cc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(=O)n(C)c1=O ZINC000538409967 1069665011 /nfs/dbraw/zinc/66/50/11/1069665011.db2.gz ICKHTYULJIKPFE-MRXNPFEDSA-N 2 2 415.498 -0.531 20 0 HBADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000538961936 1069717425 /nfs/dbraw/zinc/71/74/25/1069717425.db2.gz MNDVAFYVJGTKJF-GOSISDBHSA-N 2 2 406.527 -0.062 20 0 HBADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000538961936 1069717414 /nfs/dbraw/zinc/71/74/14/1069717414.db2.gz MNDVAFYVJGTKJF-GOSISDBHSA-N 2 2 406.527 -0.062 20 0 HBADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000538961937 1069717029 /nfs/dbraw/zinc/71/70/29/1069717029.db2.gz MNDVAFYVJGTKJF-SFHVURJKSA-N 2 2 406.527 -0.062 20 0 HBADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000538961937 1069717021 /nfs/dbraw/zinc/71/70/21/1069717021.db2.gz MNDVAFYVJGTKJF-SFHVURJKSA-N 2 2 406.527 -0.062 20 0 HBADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000539198779 1069736629 /nfs/dbraw/zinc/73/66/29/1069736629.db2.gz SBUIASBVDBHSMN-GOSISDBHSA-N 2 2 418.542 -0.327 20 0 HBADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000539198780 1069736667 /nfs/dbraw/zinc/73/66/67/1069736667.db2.gz SBUIASBVDBHSMN-SFHVURJKSA-N 2 2 418.542 -0.327 20 0 HBADLP O=S(=O)(CC[NH2+][C@H]1CCCS(=O)(=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000539307305 1069756701 /nfs/dbraw/zinc/75/67/01/1069756701.db2.gz SGYLMPVVZXVOKA-HNNXBMFYSA-N 2 2 402.542 -0.300 20 0 HBADLP O=S(=O)(CC[NH2+][C@@H]1CCCS(=O)(=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000539307306 1069756761 /nfs/dbraw/zinc/75/67/61/1069756761.db2.gz SGYLMPVVZXVOKA-OAHLLOKOSA-N 2 2 402.542 -0.300 20 0 HBADLP C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000539479715 1071271938 /nfs/dbraw/zinc/27/19/38/1071271938.db2.gz PGCNHHNWPLFPEG-INIZCTEOSA-N 2 2 418.498 -0.803 20 0 HBADLP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCO1 ZINC000539479716 1071271752 /nfs/dbraw/zinc/27/17/52/1071271752.db2.gz PGCNHHNWPLFPEG-MRXNPFEDSA-N 2 2 418.498 -0.803 20 0 HBADLP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539481318 1071271676 /nfs/dbraw/zinc/27/16/76/1071271676.db2.gz GHKOURIWFHLQRX-UHFFFAOYSA-N 2 2 420.514 -0.508 20 0 HBADLP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539481318 1071271668 /nfs/dbraw/zinc/27/16/68/1071271668.db2.gz GHKOURIWFHLQRX-UHFFFAOYSA-N 2 2 420.514 -0.508 20 0 HBADLP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539484203 1071270981 /nfs/dbraw/zinc/27/09/81/1071270981.db2.gz ZTKCFYSIHCLDFP-UHFFFAOYSA-N 2 2 420.514 -0.556 20 0 HBADLP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539487686 1071272610 /nfs/dbraw/zinc/27/26/10/1071272610.db2.gz YCVRGXCOENGYEX-UHFFFAOYSA-N 2 2 420.514 -0.508 20 0 HBADLP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000539487686 1071272603 /nfs/dbraw/zinc/27/26/03/1071272603.db2.gz YCVRGXCOENGYEX-UHFFFAOYSA-N 2 2 420.514 -0.508 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2)CC1 ZINC000539595647 1071287699 /nfs/dbraw/zinc/28/76/99/1071287699.db2.gz CQSICXPSXMFUJN-GOSISDBHSA-N 2 2 405.499 -0.672 20 0 HBADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)CC1 ZINC000539595648 1071287582 /nfs/dbraw/zinc/28/75/82/1071287582.db2.gz CQSICXPSXMFUJN-SFHVURJKSA-N 2 2 405.499 -0.672 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CSCCN2C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000540051970 1071322902 /nfs/dbraw/zinc/32/29/02/1071322902.db2.gz ZQXZXOIKUMORPH-IKGGRYGDSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CSCCN2C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000540051970 1071322884 /nfs/dbraw/zinc/32/28/84/1071322884.db2.gz ZQXZXOIKUMORPH-IKGGRYGDSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)N2CCSC[C@H]2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000540051970 1071322870 /nfs/dbraw/zinc/32/28/70/1071322870.db2.gz ZQXZXOIKUMORPH-IKGGRYGDSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)N2CCSC[C@H]2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000540051970 1071322860 /nfs/dbraw/zinc/32/28/60/1071322860.db2.gz ZQXZXOIKUMORPH-IKGGRYGDSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CSCCN2C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000540051971 1071324098 /nfs/dbraw/zinc/32/40/98/1071324098.db2.gz ZQXZXOIKUMORPH-IXDOHACOSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CSCCN2C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000540051971 1071324081 /nfs/dbraw/zinc/32/40/81/1071324081.db2.gz ZQXZXOIKUMORPH-IXDOHACOSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCSC[C@H]2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000540051971 1071324067 /nfs/dbraw/zinc/32/40/67/1071324067.db2.gz ZQXZXOIKUMORPH-IXDOHACOSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCSC[C@H]2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000540051971 1071324049 /nfs/dbraw/zinc/32/40/49/1071324049.db2.gz ZQXZXOIKUMORPH-IXDOHACOSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CSCCN2C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000540051972 1071323775 /nfs/dbraw/zinc/32/37/75/1071323775.db2.gz ZQXZXOIKUMORPH-ULQDDVLXSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CSCCN2C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000540051972 1071323756 /nfs/dbraw/zinc/32/37/56/1071323756.db2.gz ZQXZXOIKUMORPH-ULQDDVLXSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)N2CCSC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000540051972 1071323737 /nfs/dbraw/zinc/32/37/37/1071323737.db2.gz ZQXZXOIKUMORPH-ULQDDVLXSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)N2CCSC[C@@H]2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000540051972 1071323719 /nfs/dbraw/zinc/32/37/19/1071323719.db2.gz ZQXZXOIKUMORPH-ULQDDVLXSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CSCCN2C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000540051973 1071323403 /nfs/dbraw/zinc/32/34/03/1071323403.db2.gz ZQXZXOIKUMORPH-YESZJQIVSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CSCCN2C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000540051973 1071323386 /nfs/dbraw/zinc/32/33/86/1071323386.db2.gz ZQXZXOIKUMORPH-YESZJQIVSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCSC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000540051973 1071323369 /nfs/dbraw/zinc/32/33/69/1071323369.db2.gz ZQXZXOIKUMORPH-YESZJQIVSA-N 2 2 414.572 -0.512 20 0 HBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCSC[C@@H]2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000540051973 1071323350 /nfs/dbraw/zinc/32/33/50/1071323350.db2.gz ZQXZXOIKUMORPH-YESZJQIVSA-N 2 2 414.572 -0.512 20 0 HBADLP NS(=O)(=O)[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060867 1071323974 /nfs/dbraw/zinc/32/39/74/1071323974.db2.gz IPKRCJFCTZJUEY-HOTGVXAUSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060867 1071323955 /nfs/dbraw/zinc/32/39/55/1071323955.db2.gz IPKRCJFCTZJUEY-HOTGVXAUSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060870 1071323866 /nfs/dbraw/zinc/32/38/66/1071323866.db2.gz IPKRCJFCTZJUEY-HZPDHXFCSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060870 1071323848 /nfs/dbraw/zinc/32/38/48/1071323848.db2.gz IPKRCJFCTZJUEY-HZPDHXFCSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060872 1071323504 /nfs/dbraw/zinc/32/35/04/1071323504.db2.gz IPKRCJFCTZJUEY-IYBDPMFKSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060872 1071323485 /nfs/dbraw/zinc/32/34/85/1071323485.db2.gz IPKRCJFCTZJUEY-IYBDPMFKSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060872 1071323466 /nfs/dbraw/zinc/32/34/66/1071323466.db2.gz IPKRCJFCTZJUEY-IYBDPMFKSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060872 1071323449 /nfs/dbraw/zinc/32/34/49/1071323449.db2.gz IPKRCJFCTZJUEY-IYBDPMFKSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063667 1071324677 /nfs/dbraw/zinc/32/46/77/1071324677.db2.gz YBDSROALSFSCNE-HOTGVXAUSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063667 1071324661 /nfs/dbraw/zinc/32/46/61/1071324661.db2.gz YBDSROALSFSCNE-HOTGVXAUSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000540063668 1071324523 /nfs/dbraw/zinc/32/45/23/1071324523.db2.gz YBDSROALSFSCNE-HZPDHXFCSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000540063668 1071324505 /nfs/dbraw/zinc/32/45/05/1071324505.db2.gz YBDSROALSFSCNE-HZPDHXFCSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063669 1071324851 /nfs/dbraw/zinc/32/48/51/1071324851.db2.gz YBDSROALSFSCNE-IYBDPMFKSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063669 1071324843 /nfs/dbraw/zinc/32/48/43/1071324843.db2.gz YBDSROALSFSCNE-IYBDPMFKSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063669 1071324833 /nfs/dbraw/zinc/32/48/33/1071324833.db2.gz YBDSROALSFSCNE-IYBDPMFKSA-N 2 2 402.542 -0.588 20 0 HBADLP NS(=O)(=O)[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063669 1071324828 /nfs/dbraw/zinc/32/48/28/1071324828.db2.gz YBDSROALSFSCNE-IYBDPMFKSA-N 2 2 402.542 -0.588 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000540478568 1071357711 /nfs/dbraw/zinc/35/77/11/1071357711.db2.gz MNZWJOFMJLBROW-MSOLQXFVSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000540478568 1071357696 /nfs/dbraw/zinc/35/76/96/1071357696.db2.gz MNZWJOFMJLBROW-MSOLQXFVSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000540478569 1071358063 /nfs/dbraw/zinc/35/80/63/1071358063.db2.gz MNZWJOFMJLBROW-QZTJIDSGSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000540478569 1071358050 /nfs/dbraw/zinc/35/80/50/1071358050.db2.gz MNZWJOFMJLBROW-QZTJIDSGSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000540478570 1071358021 /nfs/dbraw/zinc/35/80/21/1071358021.db2.gz MNZWJOFMJLBROW-ROUUACIJSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000540478570 1071358008 /nfs/dbraw/zinc/35/80/08/1071358008.db2.gz MNZWJOFMJLBROW-ROUUACIJSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000540478571 1071357807 /nfs/dbraw/zinc/35/78/07/1071357807.db2.gz MNZWJOFMJLBROW-ZWKOTPCHSA-N 2 2 424.542 -0.205 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000540478571 1071357795 /nfs/dbraw/zinc/35/77/95/1071357795.db2.gz MNZWJOFMJLBROW-ZWKOTPCHSA-N 2 2 424.542 -0.205 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H]1[NH+](C)C ZINC000540577435 1071370285 /nfs/dbraw/zinc/37/02/85/1071370285.db2.gz MNSWSIJROZKGGL-PBHICJAKSA-N 2 2 402.499 -0.184 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H]1[NH+](C)C ZINC000540577438 1071370304 /nfs/dbraw/zinc/37/03/04/1071370304.db2.gz MNSWSIJROZKGGL-RHSMWYFYSA-N 2 2 402.499 -0.184 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H]1[NH+](C)C ZINC000540577439 1071370171 /nfs/dbraw/zinc/37/01/71/1071370171.db2.gz MNSWSIJROZKGGL-WMLDXEAASA-N 2 2 402.499 -0.184 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H]1[NH+](C)C ZINC000540577441 1071370358 /nfs/dbraw/zinc/37/03/58/1071370358.db2.gz MNSWSIJROZKGGL-YOEHRIQHSA-N 2 2 402.499 -0.184 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000540579497 1071370247 /nfs/dbraw/zinc/37/02/47/1071370247.db2.gz QTRXTVFXYDEJPN-INIZCTEOSA-N 2 2 400.483 -0.286 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000540579497 1071370237 /nfs/dbraw/zinc/37/02/37/1071370237.db2.gz QTRXTVFXYDEJPN-INIZCTEOSA-N 2 2 400.483 -0.286 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000540579499 1071370132 /nfs/dbraw/zinc/37/01/32/1071370132.db2.gz QTRXTVFXYDEJPN-MRXNPFEDSA-N 2 2 400.483 -0.286 20 0 HBADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000540579499 1071370121 /nfs/dbraw/zinc/37/01/21/1071370121.db2.gz QTRXTVFXYDEJPN-MRXNPFEDSA-N 2 2 400.483 -0.286 20 0 HBADLP C[C@H]1C[NH+](CCCC[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CCN1S(C)(=O)=O ZINC000540672945 1071380756 /nfs/dbraw/zinc/38/07/56/1071380756.db2.gz MYQJMEAYCQIFIS-HOTGVXAUSA-N 2 2 410.606 -0.302 20 0 HBADLP C[C@H]1C[NH+](CCCC[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CCN1S(C)(=O)=O ZINC000540672945 1071380751 /nfs/dbraw/zinc/38/07/51/1071380751.db2.gz MYQJMEAYCQIFIS-HOTGVXAUSA-N 2 2 410.606 -0.302 20 0 HBADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540739843 1071384898 /nfs/dbraw/zinc/38/48/98/1071384898.db2.gz RGKWPDISMVBUDP-UHFFFAOYSA-N 2 2 419.526 -0.016 20 0 HBADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540739843 1071384884 /nfs/dbraw/zinc/38/48/84/1071384884.db2.gz RGKWPDISMVBUDP-UHFFFAOYSA-N 2 2 419.526 -0.016 20 0 HBADLP CN(C(=O)c1cnc2c(c1)nnn2C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000541665237 1071465235 /nfs/dbraw/zinc/46/52/35/1071465235.db2.gz IWKRSYPXYBETHL-UHFFFAOYSA-N 2 2 414.514 -0.326 20 0 HBADLP CC(C)[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000541729077 1071475559 /nfs/dbraw/zinc/47/55/59/1071475559.db2.gz DBDIQSJERPTFBY-FHWLQOOXSA-N 2 2 410.607 -0.485 20 0 HBADLP CC(C)[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000541729078 1071475462 /nfs/dbraw/zinc/47/54/62/1071475462.db2.gz DBDIQSJERPTFBY-OTWHNJEPSA-N 2 2 410.607 -0.485 20 0 HBADLP CC(C)[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000541729079 1071475537 /nfs/dbraw/zinc/47/55/37/1071475537.db2.gz DBDIQSJERPTFBY-QRVBRYPASA-N 2 2 410.607 -0.485 20 0 HBADLP CC(C)[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000541729080 1071475549 /nfs/dbraw/zinc/47/55/49/1071475549.db2.gz DBDIQSJERPTFBY-QYZOEREBSA-N 2 2 410.607 -0.485 20 0 HBADLP O=C(C[NH+]1CCOCC2(CC2)C1)N1CCN(C(=O)C[N@H+]2CCOCC3(CC3)C2)CC1 ZINC000542055033 1071503781 /nfs/dbraw/zinc/50/37/81/1071503781.db2.gz JSWXJGNTZVXKAG-UHFFFAOYSA-N 2 2 420.554 -0.118 20 0 HBADLP O=C(C[NH+]1CCOCC2(CC2)C1)N1CCN(C(=O)C[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000542055033 1071503775 /nfs/dbraw/zinc/50/37/75/1071503775.db2.gz JSWXJGNTZVXKAG-UHFFFAOYSA-N 2 2 420.554 -0.118 20 0 HBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000542182736 1071515108 /nfs/dbraw/zinc/51/51/08/1071515108.db2.gz PQGRNRHAXNULQI-FHWLQOOXSA-N 2 2 410.559 -0.018 20 0 HBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000542182741 1071515158 /nfs/dbraw/zinc/51/51/58/1071515158.db2.gz PQGRNRHAXNULQI-OTWHNJEPSA-N 2 2 410.559 -0.018 20 0 HBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000542182743 1071514890 /nfs/dbraw/zinc/51/48/90/1071514890.db2.gz PQGRNRHAXNULQI-QRVBRYPASA-N 2 2 410.559 -0.018 20 0 HBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000542182745 1071515206 /nfs/dbraw/zinc/51/52/06/1071515206.db2.gz PQGRNRHAXNULQI-QYZOEREBSA-N 2 2 410.559 -0.018 20 0 HBADLP CC[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000542594820 1071767063 /nfs/dbraw/zinc/76/70/63/1071767063.db2.gz GSPQHQKTBSVAFG-DLBZAZTESA-N 2 2 407.559 -0.012 20 0 HBADLP CC[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000542594834 1071766962 /nfs/dbraw/zinc/76/69/62/1071766962.db2.gz GSPQHQKTBSVAFG-IAGOWNOFSA-N 2 2 407.559 -0.012 20 0 HBADLP CC[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000542594837 1071766877 /nfs/dbraw/zinc/76/68/77/1071766877.db2.gz GSPQHQKTBSVAFG-IRXDYDNUSA-N 2 2 407.559 -0.012 20 0 HBADLP CC[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000542594842 1071766800 /nfs/dbraw/zinc/76/68/00/1071766800.db2.gz GSPQHQKTBSVAFG-SJORKVTESA-N 2 2 407.559 -0.012 20 0 HBADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc21 ZINC000543527899 1069421996 /nfs/dbraw/zinc/42/19/96/1069421996.db2.gz BZOWRRBABCSKET-UHFFFAOYSA-N 2 2 405.455 -0.769 20 0 HBADLP CC(C)[C@](C)(CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000543585229 1069540067 /nfs/dbraw/zinc/54/00/67/1069540067.db2.gz CZTZVCLLUGAXSR-DXIQSLLYSA-N 2 2 424.634 -0.095 20 0 HBADLP CC(C)[C@](C)(CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000543585230 1069540104 /nfs/dbraw/zinc/54/01/04/1069540104.db2.gz CZTZVCLLUGAXSR-KNKQGSTJSA-N 2 2 424.634 -0.095 20 0 HBADLP CC(C)[C@@](C)(CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000543585231 1069540219 /nfs/dbraw/zinc/54/02/19/1069540219.db2.gz CZTZVCLLUGAXSR-WOIUINJBSA-N 2 2 424.634 -0.095 20 0 HBADLP CC(C)[C@@](C)(CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000543585232 1069540281 /nfs/dbraw/zinc/54/02/81/1069540281.db2.gz CZTZVCLLUGAXSR-XQBPLPMBSA-N 2 2 424.634 -0.095 20 0 HBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000544038788 1068730732 /nfs/dbraw/zinc/73/07/32/1068730732.db2.gz PQGRNRHAXNULQI-CEXWTWQISA-N 2 2 410.559 -0.018 20 0 HBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000544038789 1068730546 /nfs/dbraw/zinc/73/05/46/1068730546.db2.gz PQGRNRHAXNULQI-GBESFXJTSA-N 2 2 410.559 -0.018 20 0 HBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000544038790 1068730588 /nfs/dbraw/zinc/73/05/88/1068730588.db2.gz PQGRNRHAXNULQI-GUDVDZBRSA-N 2 2 410.559 -0.018 20 0 HBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000544038791 1068730694 /nfs/dbraw/zinc/73/06/94/1068730694.db2.gz PQGRNRHAXNULQI-IPMKNSEASA-N 2 2 410.559 -0.018 20 0 HBADLP CCC[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000544503978 1072018399 /nfs/dbraw/zinc/01/83/99/1072018399.db2.gz GOCYXOIJRCKENJ-CEXWTWQISA-N 2 2 410.607 -0.341 20 0 HBADLP CCC[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000544503979 1072018213 /nfs/dbraw/zinc/01/82/13/1072018213.db2.gz GOCYXOIJRCKENJ-GBESFXJTSA-N 2 2 410.607 -0.341 20 0 HBADLP CCC[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000544503980 1072018124 /nfs/dbraw/zinc/01/81/24/1072018124.db2.gz GOCYXOIJRCKENJ-GUDVDZBRSA-N 2 2 410.607 -0.341 20 0 HBADLP CCC[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000544503981 1072018263 /nfs/dbraw/zinc/01/82/63/1072018263.db2.gz GOCYXOIJRCKENJ-IPMKNSEASA-N 2 2 410.607 -0.341 20 0 HBADLP CC1=CC[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000545859951 1069543775 /nfs/dbraw/zinc/54/37/75/1069543775.db2.gz KZQVPUZHCABQFW-UHFFFAOYSA-N 2 2 414.576 -0.542 20 0 HBADLP CC1=CC[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000545859951 1069543768 /nfs/dbraw/zinc/54/37/68/1069543768.db2.gz KZQVPUZHCABQFW-UHFFFAOYSA-N 2 2 414.576 -0.542 20 0 HBADLP C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000546794703 1069543857 /nfs/dbraw/zinc/54/38/57/1069543857.db2.gz BSOBIVIKIFOZMZ-UHFFFAOYSA-N 2 2 406.531 0.392 20 0 HBADLP CNc1nnc(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000546794897 1069574963 /nfs/dbraw/zinc/57/49/63/1069574963.db2.gz NENGIGUYGIXUIK-UHFFFAOYSA-N 2 2 409.560 -0.181 20 0 HBADLP CNS(=O)(=O)c1ccccc1N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000548918113 1068937661 /nfs/dbraw/zinc/93/76/61/1068937661.db2.gz AVEGOJORWXKTAN-UHFFFAOYSA-N 2 2 409.556 -0.119 20 0 HBADLP CCNC(=O)[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000549786971 1069372137 /nfs/dbraw/zinc/37/21/37/1069372137.db2.gz QYBZMYGKDUNQDA-INIZCTEOSA-N 2 2 402.503 -0.238 20 0 HBADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840607 1069380275 /nfs/dbraw/zinc/38/02/75/1069380275.db2.gz LGHPAFRABFVCCP-NRFANRHFSA-N 2 2 407.559 -0.593 20 0 HBADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840607 1069380271 /nfs/dbraw/zinc/38/02/71/1069380271.db2.gz LGHPAFRABFVCCP-NRFANRHFSA-N 2 2 407.559 -0.593 20 0 HBADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840607 1069380267 /nfs/dbraw/zinc/38/02/67/1069380267.db2.gz LGHPAFRABFVCCP-NRFANRHFSA-N 2 2 407.559 -0.593 20 0 HBADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840607 1069380259 /nfs/dbraw/zinc/38/02/59/1069380259.db2.gz LGHPAFRABFVCCP-NRFANRHFSA-N 2 2 407.559 -0.593 20 0 HBADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840608 1069380038 /nfs/dbraw/zinc/38/00/38/1069380038.db2.gz LGHPAFRABFVCCP-OAQYLSRUSA-N 2 2 407.559 -0.593 20 0 HBADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840608 1069380026 /nfs/dbraw/zinc/38/00/26/1069380026.db2.gz LGHPAFRABFVCCP-OAQYLSRUSA-N 2 2 407.559 -0.593 20 0 HBADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840608 1069380013 /nfs/dbraw/zinc/38/00/13/1069380013.db2.gz LGHPAFRABFVCCP-OAQYLSRUSA-N 2 2 407.559 -0.593 20 0 HBADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)C1 ZINC000549840608 1069380008 /nfs/dbraw/zinc/38/00/08/1069380008.db2.gz LGHPAFRABFVCCP-OAQYLSRUSA-N 2 2 407.559 -0.593 20 0 HBADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000549875116 1069408514 /nfs/dbraw/zinc/40/85/14/1069408514.db2.gz DHJYIXSXIZOPQS-UHFFFAOYSA-N 2 2 417.554 -0.241 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000549933659 1069502272 /nfs/dbraw/zinc/50/22/72/1069502272.db2.gz XIDXPVITVAUQNP-FQEVSTJZSA-N 2 2 418.538 -0.081 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000549933660 1069502361 /nfs/dbraw/zinc/50/23/61/1069502361.db2.gz XIDXPVITVAUQNP-HXUWFJFHSA-N 2 2 418.538 -0.081 20 0 HBADLP C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000549991926 1070064478 /nfs/dbraw/zinc/06/44/78/1070064478.db2.gz YVCRSZBNVWZISS-UHFFFAOYSA-N 2 2 417.514 -0.828 20 0 HBADLP 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COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000550002772 1070143921 /nfs/dbraw/zinc/14/39/21/1070143921.db2.gz VFIJWUICZAIQAQ-RBUKOAKNSA-N 2 2 404.511 -0.160 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000550002772 1070143917 /nfs/dbraw/zinc/14/39/17/1070143917.db2.gz VFIJWUICZAIQAQ-RBUKOAKNSA-N 2 2 404.511 -0.160 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000550002772 1070143908 /nfs/dbraw/zinc/14/39/08/1070143908.db2.gz VFIJWUICZAIQAQ-RBUKOAKNSA-N 2 2 404.511 -0.160 20 0 HBADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000550002773 1070143668 /nfs/dbraw/zinc/14/36/68/1070143668.db2.gz VFIJWUICZAIQAQ-RTBURBONSA-N 2 2 404.511 -0.160 20 0 HBADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000550002773 1070143664 /nfs/dbraw/zinc/14/36/64/1070143664.db2.gz VFIJWUICZAIQAQ-RTBURBONSA-N 2 2 404.511 -0.160 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000550002773 1070143657 /nfs/dbraw/zinc/14/36/57/1070143657.db2.gz VFIJWUICZAIQAQ-RTBURBONSA-N 2 2 404.511 -0.160 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000550002773 1070143654 /nfs/dbraw/zinc/14/36/54/1070143654.db2.gz VFIJWUICZAIQAQ-RTBURBONSA-N 2 2 404.511 -0.160 20 0 HBADLP COc1cccc([C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000550027472 1070348372 /nfs/dbraw/zinc/34/83/72/1070348372.db2.gz DPDLTYCVIQHYBZ-GOSISDBHSA-N 2 2 419.526 -0.306 20 0 HBADLP COc1cccc([C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000550027476 1070348747 /nfs/dbraw/zinc/34/87/47/1070348747.db2.gz DPDLTYCVIQHYBZ-SFHVURJKSA-N 2 2 419.526 -0.306 20 0 HBADLP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000550031793 1070375001 /nfs/dbraw/zinc/37/50/01/1070375001.db2.gz ADJNXDAPCKKXCU-UHFFFAOYSA-N 2 2 400.487 -0.388 20 0 HBADLP 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CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000550132211 1070391183 /nfs/dbraw/zinc/39/11/83/1070391183.db2.gz CVFLOZUEXFGIIR-LJQANCHMSA-N 2 2 403.527 -0.503 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000550132211 1070391165 /nfs/dbraw/zinc/39/11/65/1070391165.db2.gz CVFLOZUEXFGIIR-LJQANCHMSA-N 2 2 403.527 -0.503 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000550275452 1070418535 /nfs/dbraw/zinc/41/85/35/1070418535.db2.gz DSROUKBJECABSC-MSOLQXFVSA-N 2 2 423.558 -0.776 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000550275452 1070418530 /nfs/dbraw/zinc/41/85/30/1070418530.db2.gz DSROUKBJECABSC-MSOLQXFVSA-N 2 2 423.558 -0.776 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000550275453 1070417402 /nfs/dbraw/zinc/41/74/02/1070417402.db2.gz DSROUKBJECABSC-QZTJIDSGSA-N 2 2 423.558 -0.776 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000550275453 1070417396 /nfs/dbraw/zinc/41/73/96/1070417396.db2.gz DSROUKBJECABSC-QZTJIDSGSA-N 2 2 423.558 -0.776 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000550275454 1070417426 /nfs/dbraw/zinc/41/74/26/1070417426.db2.gz DSROUKBJECABSC-ROUUACIJSA-N 2 2 423.558 -0.776 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000550275454 1070417423 /nfs/dbraw/zinc/41/74/23/1070417423.db2.gz DSROUKBJECABSC-ROUUACIJSA-N 2 2 423.558 -0.776 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000550275455 1070417600 /nfs/dbraw/zinc/41/76/00/1070417600.db2.gz DSROUKBJECABSC-ZWKOTPCHSA-N 2 2 423.558 -0.776 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000550275455 1070417592 /nfs/dbraw/zinc/41/75/92/1070417592.db2.gz DSROUKBJECABSC-ZWKOTPCHSA-N 2 2 423.558 -0.776 20 0 HBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550292615 1070519489 /nfs/dbraw/zinc/51/94/89/1070519489.db2.gz WDTOTZMPJJTFIL-UHFFFAOYSA-N 2 2 418.542 -0.370 20 0 HBADLP CC[NH+](CC)CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550328647 1070614980 /nfs/dbraw/zinc/61/49/80/1070614980.db2.gz VYXNDCBDEDGOER-UHFFFAOYSA-N 2 2 404.515 -0.306 20 0 HBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccco1 ZINC000550343882 1070619728 /nfs/dbraw/zinc/61/97/28/1070619728.db2.gz YWURQWUNXNSEFH-INIZCTEOSA-N 2 2 405.499 -0.235 20 0 HBADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccco1 ZINC000550343888 1070619697 /nfs/dbraw/zinc/61/96/97/1070619697.db2.gz YWURQWUNXNSEFH-MRXNPFEDSA-N 2 2 405.499 -0.235 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000550372085 1070626096 /nfs/dbraw/zinc/62/60/96/1070626096.db2.gz FOAJNUZYZGNXGC-INIZCTEOSA-N 2 2 405.499 -0.187 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000550372086 1070626891 /nfs/dbraw/zinc/62/68/91/1070626891.db2.gz FOAJNUZYZGNXGC-MRXNPFEDSA-N 2 2 405.499 -0.187 20 0 HBADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550372985 1070626858 /nfs/dbraw/zinc/62/68/58/1070626858.db2.gz OBVOEKKCJROPEW-UHFFFAOYSA-N 2 2 414.514 -0.184 20 0 HBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCC[NH+]1CCSCC1 ZINC000550373725 1070627818 /nfs/dbraw/zinc/62/78/18/1070627818.db2.gz BFQHNBLIOJFPBW-UHFFFAOYSA-N 2 2 421.571 -0.730 20 0 HBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000550374870 1070632023 /nfs/dbraw/zinc/63/20/23/1070632023.db2.gz OYHMVLNMFCVTPN-UHFFFAOYSA-N 2 2 417.558 -0.095 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381097 1070630294 /nfs/dbraw/zinc/63/02/94/1070630294.db2.gz GEEYRKFEMVNTCS-CEXWTWQISA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381097 1070630287 /nfs/dbraw/zinc/63/02/87/1070630287.db2.gz GEEYRKFEMVNTCS-CEXWTWQISA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381097 1070630285 /nfs/dbraw/zinc/63/02/85/1070630285.db2.gz GEEYRKFEMVNTCS-CEXWTWQISA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381097 1070630279 /nfs/dbraw/zinc/63/02/79/1070630279.db2.gz GEEYRKFEMVNTCS-CEXWTWQISA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381098 1070630545 /nfs/dbraw/zinc/63/05/45/1070630545.db2.gz GEEYRKFEMVNTCS-GUDVDZBRSA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381098 1070630542 /nfs/dbraw/zinc/63/05/42/1070630542.db2.gz GEEYRKFEMVNTCS-GUDVDZBRSA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381099 1070630413 /nfs/dbraw/zinc/63/04/13/1070630413.db2.gz GEEYRKFEMVNTCS-OTWHNJEPSA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381099 1070630392 /nfs/dbraw/zinc/63/03/92/1070630392.db2.gz GEEYRKFEMVNTCS-OTWHNJEPSA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381099 1070630386 /nfs/dbraw/zinc/63/03/86/1070630386.db2.gz GEEYRKFEMVNTCS-OTWHNJEPSA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381099 1070630382 /nfs/dbraw/zinc/63/03/82/1070630382.db2.gz GEEYRKFEMVNTCS-OTWHNJEPSA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381100 1070630434 /nfs/dbraw/zinc/63/04/34/1070630434.db2.gz GEEYRKFEMVNTCS-QRVBRYPASA-N 2 2 411.591 -0.010 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381100 1070630428 /nfs/dbraw/zinc/63/04/28/1070630428.db2.gz GEEYRKFEMVNTCS-QRVBRYPASA-N 2 2 411.591 -0.010 20 0 HBADLP CN(C(=O)CCn1cnccc1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550381336 1070634771 /nfs/dbraw/zinc/63/47/71/1070634771.db2.gz GHTPUSFCIAMQSS-UHFFFAOYSA-N 2 2 404.515 -0.670 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381959 1070634558 /nfs/dbraw/zinc/63/45/58/1070634558.db2.gz OSWWCYHTJXYJOY-MOPGFXCFSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381959 1070634554 /nfs/dbraw/zinc/63/45/54/1070634554.db2.gz OSWWCYHTJXYJOY-MOPGFXCFSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381960 1070634804 /nfs/dbraw/zinc/63/48/04/1070634804.db2.gz OSWWCYHTJXYJOY-OALUTQOASA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381960 1070634801 /nfs/dbraw/zinc/63/48/01/1070634801.db2.gz OSWWCYHTJXYJOY-OALUTQOASA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381961 1070634595 /nfs/dbraw/zinc/63/45/95/1070634595.db2.gz OSWWCYHTJXYJOY-RBUKOAKNSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381961 1070634590 /nfs/dbraw/zinc/63/45/90/1070634590.db2.gz OSWWCYHTJXYJOY-RBUKOAKNSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381962 1070634720 /nfs/dbraw/zinc/63/47/20/1070634720.db2.gz OSWWCYHTJXYJOY-RTBURBONSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000550381962 1070634712 /nfs/dbraw/zinc/63/47/12/1070634712.db2.gz OSWWCYHTJXYJOY-RTBURBONSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550382082 1070634684 /nfs/dbraw/zinc/63/46/84/1070634684.db2.gz QMIMHHCEUCVGDB-MSOLQXFVSA-N 2 2 411.591 -0.322 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550382082 1070634677 /nfs/dbraw/zinc/63/46/77/1070634677.db2.gz QMIMHHCEUCVGDB-MSOLQXFVSA-N 2 2 411.591 -0.322 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550382083 1070634871 /nfs/dbraw/zinc/63/48/71/1070634871.db2.gz QMIMHHCEUCVGDB-QZTJIDSGSA-N 2 2 411.591 -0.322 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550382083 1070634859 /nfs/dbraw/zinc/63/48/59/1070634859.db2.gz QMIMHHCEUCVGDB-QZTJIDSGSA-N 2 2 411.591 -0.322 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550382084 1070634884 /nfs/dbraw/zinc/63/48/84/1070634884.db2.gz QMIMHHCEUCVGDB-ROUUACIJSA-N 2 2 411.591 -0.322 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550382084 1070634879 /nfs/dbraw/zinc/63/48/79/1070634879.db2.gz QMIMHHCEUCVGDB-ROUUACIJSA-N 2 2 411.591 -0.322 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550382085 1070634656 /nfs/dbraw/zinc/63/46/56/1070634656.db2.gz QMIMHHCEUCVGDB-ZWKOTPCHSA-N 2 2 411.591 -0.322 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550382085 1070634651 /nfs/dbraw/zinc/63/46/51/1070634651.db2.gz QMIMHHCEUCVGDB-ZWKOTPCHSA-N 2 2 411.591 -0.322 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000550382381 1070633008 /nfs/dbraw/zinc/63/30/08/1070633008.db2.gz SMKLILHKXRVEPU-FQEVSTJZSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000550382381 1070633003 /nfs/dbraw/zinc/63/30/03/1070633003.db2.gz SMKLILHKXRVEPU-FQEVSTJZSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000550382382 1070632868 /nfs/dbraw/zinc/63/28/68/1070632868.db2.gz SMKLILHKXRVEPU-HXUWFJFHSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000550382382 1070632856 /nfs/dbraw/zinc/63/28/56/1070632856.db2.gz SMKLILHKXRVEPU-HXUWFJFHSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000550382599 1070633721 /nfs/dbraw/zinc/63/37/21/1070633721.db2.gz WMFXALMBDTVPJD-MOPGFXCFSA-N 2 2 411.591 -0.056 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000550382600 1070633628 /nfs/dbraw/zinc/63/36/28/1070633628.db2.gz WMFXALMBDTVPJD-OALUTQOASA-N 2 2 411.591 -0.056 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000550382601 1070633758 /nfs/dbraw/zinc/63/37/58/1070633758.db2.gz WMFXALMBDTVPJD-RBUKOAKNSA-N 2 2 411.591 -0.056 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000550382602 1070633839 /nfs/dbraw/zinc/63/38/39/1070633839.db2.gz WMFXALMBDTVPJD-RTBURBONSA-N 2 2 411.591 -0.056 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550398268 1070636585 /nfs/dbraw/zinc/63/65/85/1070636585.db2.gz CBRWNTDTTXZXJL-MOPGFXCFSA-N 2 2 404.511 -0.471 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550398268 1070636572 /nfs/dbraw/zinc/63/65/72/1070636572.db2.gz CBRWNTDTTXZXJL-MOPGFXCFSA-N 2 2 404.511 -0.471 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550398269 1070636384 /nfs/dbraw/zinc/63/63/84/1070636384.db2.gz CBRWNTDTTXZXJL-OALUTQOASA-N 2 2 404.511 -0.471 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550398269 1070636378 /nfs/dbraw/zinc/63/63/78/1070636378.db2.gz CBRWNTDTTXZXJL-OALUTQOASA-N 2 2 404.511 -0.471 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550398270 1070636359 /nfs/dbraw/zinc/63/63/59/1070636359.db2.gz CBRWNTDTTXZXJL-RBUKOAKNSA-N 2 2 404.511 -0.471 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550398270 1070636356 /nfs/dbraw/zinc/63/63/56/1070636356.db2.gz CBRWNTDTTXZXJL-RBUKOAKNSA-N 2 2 404.511 -0.471 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550398271 1070636634 /nfs/dbraw/zinc/63/66/34/1070636634.db2.gz CBRWNTDTTXZXJL-RTBURBONSA-N 2 2 404.511 -0.471 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550398271 1070636625 /nfs/dbraw/zinc/63/66/25/1070636625.db2.gz CBRWNTDTTXZXJL-RTBURBONSA-N 2 2 404.511 -0.471 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000550656305 1069408357 /nfs/dbraw/zinc/40/83/57/1069408357.db2.gz GGBKAKUPBNIFEL-UHFFFAOYSA-N 2 2 401.511 -0.559 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000550656305 1069408348 /nfs/dbraw/zinc/40/83/48/1069408348.db2.gz GGBKAKUPBNIFEL-UHFFFAOYSA-N 2 2 401.511 -0.559 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000550664206 1069409920 /nfs/dbraw/zinc/40/99/20/1069409920.db2.gz SPYKAXDCDDVIRQ-GOSISDBHSA-N 2 2 423.558 -0.774 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000550664207 1069409745 /nfs/dbraw/zinc/40/97/45/1069409745.db2.gz SPYKAXDCDDVIRQ-SFHVURJKSA-N 2 2 423.558 -0.774 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCOCC1 ZINC000550667153 1069410472 /nfs/dbraw/zinc/41/04/72/1069410472.db2.gz CAMVEMWVVXBHQK-AABGKKOBSA-N 2 2 423.602 -0.056 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+]1CCOCC1 ZINC000550667155 1069410693 /nfs/dbraw/zinc/41/06/93/1069410693.db2.gz CAMVEMWVVXBHQK-AQNXPRMDSA-N 2 2 423.602 -0.056 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000550667156 1069410570 /nfs/dbraw/zinc/41/05/70/1069410570.db2.gz CAMVEMWVVXBHQK-UFYCRDLUSA-N 2 2 423.602 -0.056 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000550667157 1069410450 /nfs/dbraw/zinc/41/04/50/1069410450.db2.gz CAMVEMWVVXBHQK-ZCNNSNEGSA-N 2 2 423.602 -0.056 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000550668073 1069412632 /nfs/dbraw/zinc/41/26/32/1069412632.db2.gz LARDHEQYXHEYCK-KRWDZBQOSA-N 2 2 411.547 -0.872 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000550668074 1069412554 /nfs/dbraw/zinc/41/25/54/1069412554.db2.gz LARDHEQYXHEYCK-QGZVFWFLSA-N 2 2 411.547 -0.872 20 0 HBADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1F ZINC000550674204 1069411316 /nfs/dbraw/zinc/41/13/16/1069411316.db2.gz GAUJNPDVVPMRSR-UHFFFAOYSA-N 2 2 407.490 -0.216 20 0 HBADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)cn2)CC1 ZINC000550685626 1069414754 /nfs/dbraw/zinc/41/47/54/1069414754.db2.gz RBLYVOYDXXUFNX-UHFFFAOYSA-N 2 2 418.542 -0.635 20 0 HBADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550772490 1069433719 /nfs/dbraw/zinc/43/37/19/1069433719.db2.gz QHYZRFPWNPVEAI-UHFFFAOYSA-N 2 2 400.487 -0.574 20 0 HBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000550773036 1069434862 /nfs/dbraw/zinc/43/48/62/1069434862.db2.gz YLKMXHKULAHDJS-UHFFFAOYSA-N 2 2 415.542 -0.341 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000550779003 1069437257 /nfs/dbraw/zinc/43/72/57/1069437257.db2.gz ZPNFEIIWUSRLBS-GOSISDBHSA-N 2 2 410.607 -0.483 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000550779003 1069437253 /nfs/dbraw/zinc/43/72/53/1069437253.db2.gz ZPNFEIIWUSRLBS-GOSISDBHSA-N 2 2 410.607 -0.483 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000550779004 1069437212 /nfs/dbraw/zinc/43/72/12/1069437212.db2.gz ZPNFEIIWUSRLBS-SFHVURJKSA-N 2 2 410.607 -0.483 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000550779004 1069437209 /nfs/dbraw/zinc/43/72/09/1069437209.db2.gz ZPNFEIIWUSRLBS-SFHVURJKSA-N 2 2 410.607 -0.483 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000550779661 1069436642 /nfs/dbraw/zinc/43/66/42/1069436642.db2.gz WQVYGCGUGAZXPO-PMACEKPBSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000550779661 1069436641 /nfs/dbraw/zinc/43/66/41/1069436641.db2.gz WQVYGCGUGAZXPO-PMACEKPBSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000550779662 1069436679 /nfs/dbraw/zinc/43/66/79/1069436679.db2.gz WQVYGCGUGAZXPO-VQTJNVASSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000550779662 1069436677 /nfs/dbraw/zinc/43/66/77/1069436677.db2.gz WQVYGCGUGAZXPO-VQTJNVASSA-N 2 2 423.602 -0.055 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000550780825 1069438533 /nfs/dbraw/zinc/43/85/33/1069438533.db2.gz LBQADZRKHXAZHW-IBGZPJMESA-N 2 2 409.575 -0.299 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000550780825 1069438524 /nfs/dbraw/zinc/43/85/24/1069438524.db2.gz LBQADZRKHXAZHW-IBGZPJMESA-N 2 2 409.575 -0.299 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000550780826 1069438447 /nfs/dbraw/zinc/43/84/47/1069438447.db2.gz LBQADZRKHXAZHW-LJQANCHMSA-N 2 2 409.575 -0.299 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000550780826 1069438438 /nfs/dbraw/zinc/43/84/38/1069438438.db2.gz LBQADZRKHXAZHW-LJQANCHMSA-N 2 2 409.575 -0.299 20 0 HBADLP CN(C(=O)[C@H]1CCc2nncn2C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550783284 1069440204 /nfs/dbraw/zinc/44/02/04/1069440204.db2.gz WMJMWYFEWREBFA-INIZCTEOSA-N 2 2 403.531 -0.463 20 0 HBADLP CN(C(=O)[C@@H]1CCc2nncn2C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000550783445 1069440455 /nfs/dbraw/zinc/44/04/55/1069440455.db2.gz WMJMWYFEWREBFA-MRXNPFEDSA-N 2 2 403.531 -0.463 20 0 HBADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000550783696 1069440353 /nfs/dbraw/zinc/44/03/53/1069440353.db2.gz JBBABBSQPYSOIH-UHFFFAOYSA-N 2 2 418.542 -0.322 20 0 HBADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000550785025 1069439533 /nfs/dbraw/zinc/43/95/33/1069439533.db2.gz NWZHEIDHMYNMCN-UHFFFAOYSA-N 2 2 411.591 -0.053 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000550807648 1069448257 /nfs/dbraw/zinc/44/82/57/1069448257.db2.gz FJLKOWAVTYVWJH-INIZCTEOSA-N 2 2 415.538 -0.124 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000550807648 1069448254 /nfs/dbraw/zinc/44/82/54/1069448254.db2.gz FJLKOWAVTYVWJH-INIZCTEOSA-N 2 2 415.538 -0.124 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000550807649 1069448362 /nfs/dbraw/zinc/44/83/62/1069448362.db2.gz FJLKOWAVTYVWJH-MRXNPFEDSA-N 2 2 415.538 -0.124 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000550807649 1069448358 /nfs/dbraw/zinc/44/83/58/1069448358.db2.gz FJLKOWAVTYVWJH-MRXNPFEDSA-N 2 2 415.538 -0.124 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000550808557 1069448710 /nfs/dbraw/zinc/44/87/10/1069448710.db2.gz WIVYOEXCPXBMRY-INIZCTEOSA-N 2 2 405.499 -0.141 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000550808558 1069449016 /nfs/dbraw/zinc/44/90/16/1069449016.db2.gz WIVYOEXCPXBMRY-MRXNPFEDSA-N 2 2 405.499 -0.141 20 0 HBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000550812807 1069450161 /nfs/dbraw/zinc/45/01/61/1069450161.db2.gz JTZFYIQNQRRJHN-UHFFFAOYSA-N 2 2 411.547 -0.992 20 0 HBADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000550879065 1069464626 /nfs/dbraw/zinc/46/46/26/1069464626.db2.gz PQSOVGFXHNNPIK-QGZVFWFLSA-N 2 2 409.575 -0.160 20 0 HBADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000550879065 1069464622 /nfs/dbraw/zinc/46/46/22/1069464622.db2.gz PQSOVGFXHNNPIK-QGZVFWFLSA-N 2 2 409.575 -0.160 20 0 HBADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)ccn2)CC1 ZINC000550906031 1069467765 /nfs/dbraw/zinc/46/77/65/1069467765.db2.gz ONSXZPHBADLQEG-UHFFFAOYSA-N 2 2 418.542 -0.635 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000550927917 1069476281 /nfs/dbraw/zinc/47/62/81/1069476281.db2.gz KVVAYSQYCXQMQY-IBGZPJMESA-N 2 2 403.527 -0.503 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000550927917 1069476275 /nfs/dbraw/zinc/47/62/75/1069476275.db2.gz KVVAYSQYCXQMQY-IBGZPJMESA-N 2 2 403.527 -0.503 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000550927918 1069476314 /nfs/dbraw/zinc/47/63/14/1069476314.db2.gz KVVAYSQYCXQMQY-LJQANCHMSA-N 2 2 403.527 -0.503 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000550927918 1069476308 /nfs/dbraw/zinc/47/63/08/1069476308.db2.gz KVVAYSQYCXQMQY-LJQANCHMSA-N 2 2 403.527 -0.503 20 0 HBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000550946004 1069478674 /nfs/dbraw/zinc/47/86/74/1069478674.db2.gz BQTZGLMJBUMKGY-UHFFFAOYSA-N 2 2 416.526 -0.558 20 0 HBADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000550946531 1069478718 /nfs/dbraw/zinc/47/87/18/1069478718.db2.gz IHJGELPURDOMST-GOSISDBHSA-N 2 2 409.575 -0.301 20 0 HBADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000551030025 1069490515 /nfs/dbraw/zinc/49/05/15/1069490515.db2.gz CZOGOHAAEOMDAH-UHFFFAOYSA-N 2 2 402.499 -0.681 20 0 HBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000551037314 1069491736 /nfs/dbraw/zinc/49/17/36/1069491736.db2.gz DUINJDRPPLBYFX-HNNXBMFYSA-N 2 2 400.483 -0.004 20 0 HBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000551037319 1069491752 /nfs/dbraw/zinc/49/17/52/1069491752.db2.gz DUINJDRPPLBYFX-OAHLLOKOSA-N 2 2 400.483 -0.004 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000551045136 1069492867 /nfs/dbraw/zinc/49/28/67/1069492867.db2.gz JIJXHCOKWMNNMU-UHFFFAOYSA-N 2 2 415.538 -0.170 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000551045136 1069492862 /nfs/dbraw/zinc/49/28/62/1069492862.db2.gz JIJXHCOKWMNNMU-UHFFFAOYSA-N 2 2 415.538 -0.170 20 0 HBADLP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000551059908 1069496907 /nfs/dbraw/zinc/49/69/07/1069496907.db2.gz MYOICCHNQGLKAH-HKUYNNGSSA-N 2 2 401.511 -0.172 20 0 HBADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000551059908 1069496905 /nfs/dbraw/zinc/49/69/05/1069496905.db2.gz MYOICCHNQGLKAH-HKUYNNGSSA-N 2 2 401.511 -0.172 20 0 HBADLP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000551059910 1069497020 /nfs/dbraw/zinc/49/70/20/1069497020.db2.gz MYOICCHNQGLKAH-IEBWSBKVSA-N 2 2 401.511 -0.172 20 0 HBADLP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000551059910 1069497018 /nfs/dbraw/zinc/49/70/18/1069497018.db2.gz MYOICCHNQGLKAH-IEBWSBKVSA-N 2 2 401.511 -0.172 20 0 HBADLP C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000551059912 1069496973 /nfs/dbraw/zinc/49/69/73/1069496973.db2.gz MYOICCHNQGLKAH-MJGOQNOKSA-N 2 2 401.511 -0.172 20 0 HBADLP C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000551059912 1069496970 /nfs/dbraw/zinc/49/69/70/1069496970.db2.gz MYOICCHNQGLKAH-MJGOQNOKSA-N 2 2 401.511 -0.172 20 0 HBADLP C[N@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000551059913 1069497079 /nfs/dbraw/zinc/49/70/79/1069497079.db2.gz MYOICCHNQGLKAH-PKOBYXMFSA-N 2 2 401.511 -0.172 20 0 HBADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000551059913 1069497074 /nfs/dbraw/zinc/49/70/74/1069497074.db2.gz MYOICCHNQGLKAH-PKOBYXMFSA-N 2 2 401.511 -0.172 20 0 HBADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000551062301 1069498143 /nfs/dbraw/zinc/49/81/43/1069498143.db2.gz KURIASMZGHNYFM-UHFFFAOYSA-N 2 2 411.547 -0.917 20 0 HBADLP Cc1onc(NC(=O)C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000551094645 1069504351 /nfs/dbraw/zinc/50/43/51/1069504351.db2.gz AHCHEOFZGCZIED-UHFFFAOYSA-N 2 2 420.514 -0.073 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000551111132 1069505448 /nfs/dbraw/zinc/50/54/48/1069505448.db2.gz HLIURMOJUZOIOH-RBUKOAKNSA-N 2 2 409.575 -0.443 20 0 HBADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000551111137 1069505498 /nfs/dbraw/zinc/50/54/98/1069505498.db2.gz HLIURMOJUZOIOH-RTBURBONSA-N 2 2 409.575 -0.443 20 0 HBADLP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000551121675 1069508997 /nfs/dbraw/zinc/50/89/97/1069508997.db2.gz JOAYJBBRGXABPR-MOPGFXCFSA-N 2 2 411.591 -0.055 20 0 HBADLP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000551121675 1069508991 /nfs/dbraw/zinc/50/89/91/1069508991.db2.gz JOAYJBBRGXABPR-MOPGFXCFSA-N 2 2 411.591 -0.055 20 0 HBADLP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000551121676 1069508929 /nfs/dbraw/zinc/50/89/29/1069508929.db2.gz JOAYJBBRGXABPR-OALUTQOASA-N 2 2 411.591 -0.055 20 0 HBADLP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000551121676 1069508922 /nfs/dbraw/zinc/50/89/22/1069508922.db2.gz JOAYJBBRGXABPR-OALUTQOASA-N 2 2 411.591 -0.055 20 0 HBADLP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000551121677 1069508819 /nfs/dbraw/zinc/50/88/19/1069508819.db2.gz JOAYJBBRGXABPR-RBUKOAKNSA-N 2 2 411.591 -0.055 20 0 HBADLP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000551121677 1069508815 /nfs/dbraw/zinc/50/88/15/1069508815.db2.gz JOAYJBBRGXABPR-RBUKOAKNSA-N 2 2 411.591 -0.055 20 0 HBADLP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000551121678 1069509106 /nfs/dbraw/zinc/50/91/06/1069509106.db2.gz JOAYJBBRGXABPR-RTBURBONSA-N 2 2 411.591 -0.055 20 0 HBADLP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000551121678 1069509096 /nfs/dbraw/zinc/50/90/96/1069509096.db2.gz JOAYJBBRGXABPR-RTBURBONSA-N 2 2 411.591 -0.055 20 0 HBADLP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000551124324 1069507424 /nfs/dbraw/zinc/50/74/24/1069507424.db2.gz VWOUQLBETZHANR-MSOLQXFVSA-N 2 2 409.575 -0.302 20 0 HBADLP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000551124324 1069507417 /nfs/dbraw/zinc/50/74/17/1069507417.db2.gz VWOUQLBETZHANR-MSOLQXFVSA-N 2 2 409.575 -0.302 20 0 HBADLP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000551124325 1069507204 /nfs/dbraw/zinc/50/72/04/1069507204.db2.gz VWOUQLBETZHANR-QZTJIDSGSA-N 2 2 409.575 -0.302 20 0 HBADLP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000551124325 1069507201 /nfs/dbraw/zinc/50/72/01/1069507201.db2.gz VWOUQLBETZHANR-QZTJIDSGSA-N 2 2 409.575 -0.302 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000551124326 1069507050 /nfs/dbraw/zinc/50/70/50/1069507050.db2.gz VWOUQLBETZHANR-ROUUACIJSA-N 2 2 409.575 -0.302 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000551124326 1069507046 /nfs/dbraw/zinc/50/70/46/1069507046.db2.gz VWOUQLBETZHANR-ROUUACIJSA-N 2 2 409.575 -0.302 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000551124327 1069507349 /nfs/dbraw/zinc/50/73/49/1069507349.db2.gz VWOUQLBETZHANR-ZWKOTPCHSA-N 2 2 409.575 -0.302 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000551124327 1069507340 /nfs/dbraw/zinc/50/73/40/1069507340.db2.gz VWOUQLBETZHANR-ZWKOTPCHSA-N 2 2 409.575 -0.302 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000551124727 1069507184 /nfs/dbraw/zinc/50/71/84/1069507184.db2.gz AGNLCUDLSPVELL-DLBZAZTESA-N 2 2 411.547 -0.918 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000551124727 1069507180 /nfs/dbraw/zinc/50/71/80/1069507180.db2.gz AGNLCUDLSPVELL-DLBZAZTESA-N 2 2 411.547 -0.918 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000551124728 1069507288 /nfs/dbraw/zinc/50/72/88/1069507288.db2.gz AGNLCUDLSPVELL-IAGOWNOFSA-N 2 2 411.547 -0.918 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000551124728 1069507283 /nfs/dbraw/zinc/50/72/83/1069507283.db2.gz AGNLCUDLSPVELL-IAGOWNOFSA-N 2 2 411.547 -0.918 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000551124729 1069507087 /nfs/dbraw/zinc/50/70/87/1069507087.db2.gz AGNLCUDLSPVELL-IRXDYDNUSA-N 2 2 411.547 -0.918 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000551124729 1069507085 /nfs/dbraw/zinc/50/70/85/1069507085.db2.gz AGNLCUDLSPVELL-IRXDYDNUSA-N 2 2 411.547 -0.918 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000551124730 1069507124 /nfs/dbraw/zinc/50/71/24/1069507124.db2.gz AGNLCUDLSPVELL-SJORKVTESA-N 2 2 411.547 -0.918 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000551124730 1069507121 /nfs/dbraw/zinc/50/71/21/1069507121.db2.gz AGNLCUDLSPVELL-SJORKVTESA-N 2 2 411.547 -0.918 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000551158743 1069512894 /nfs/dbraw/zinc/51/28/94/1069512894.db2.gz CYZSPSBEHSPFPD-UHFFFAOYSA-N 2 2 409.575 -0.157 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000551158743 1069512879 /nfs/dbraw/zinc/51/28/79/1069512879.db2.gz CYZSPSBEHSPFPD-UHFFFAOYSA-N 2 2 409.575 -0.157 20 0 HBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)CC2)c1 ZINC000551162086 1069513608 /nfs/dbraw/zinc/51/36/08/1069513608.db2.gz CTWGMEOZCHSRCV-UHFFFAOYSA-N 2 2 418.542 -0.117 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551172817 1069512372 /nfs/dbraw/zinc/51/23/72/1069512372.db2.gz QFPTXVHPVDSUPL-GOSISDBHSA-N 2 2 411.591 -0.176 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551172817 1069512366 /nfs/dbraw/zinc/51/23/66/1069512366.db2.gz QFPTXVHPVDSUPL-GOSISDBHSA-N 2 2 411.591 -0.176 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551172817 1069512356 /nfs/dbraw/zinc/51/23/56/1069512356.db2.gz QFPTXVHPVDSUPL-GOSISDBHSA-N 2 2 411.591 -0.176 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000551172817 1069512348 /nfs/dbraw/zinc/51/23/48/1069512348.db2.gz QFPTXVHPVDSUPL-GOSISDBHSA-N 2 2 411.591 -0.176 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551172818 1069512140 /nfs/dbraw/zinc/51/21/40/1069512140.db2.gz QFPTXVHPVDSUPL-SFHVURJKSA-N 2 2 411.591 -0.176 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551172818 1069512137 /nfs/dbraw/zinc/51/21/37/1069512137.db2.gz QFPTXVHPVDSUPL-SFHVURJKSA-N 2 2 411.591 -0.176 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551172818 1069512132 /nfs/dbraw/zinc/51/21/32/1069512132.db2.gz QFPTXVHPVDSUPL-SFHVURJKSA-N 2 2 411.591 -0.176 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000551172818 1069512128 /nfs/dbraw/zinc/51/21/28/1069512128.db2.gz QFPTXVHPVDSUPL-SFHVURJKSA-N 2 2 411.591 -0.176 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000551187604 1069515006 /nfs/dbraw/zinc/51/50/06/1069515006.db2.gz KHUQLIMTPNRTBR-UHFFFAOYSA-N 2 2 407.490 -0.170 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000551187941 1069514635 /nfs/dbraw/zinc/51/46/35/1069514635.db2.gz PWFDQYMWPULLNQ-UHFFFAOYSA-N 2 2 407.490 -0.300 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000551187941 1069514629 /nfs/dbraw/zinc/51/46/29/1069514629.db2.gz PWFDQYMWPULLNQ-UHFFFAOYSA-N 2 2 407.490 -0.300 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551188034 1069514598 /nfs/dbraw/zinc/51/45/98/1069514598.db2.gz YTXLKWKUXOMEJS-GASCZTMLSA-N 2 2 411.547 -0.683 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551188034 1069514591 /nfs/dbraw/zinc/51/45/91/1069514591.db2.gz YTXLKWKUXOMEJS-GASCZTMLSA-N 2 2 411.547 -0.683 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000551188035 1069514515 /nfs/dbraw/zinc/51/45/15/1069514515.db2.gz YTXLKWKUXOMEJS-GJZGRUSLSA-N 2 2 411.547 -0.683 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551188036 1069514572 /nfs/dbraw/zinc/51/45/72/1069514572.db2.gz YTXLKWKUXOMEJS-HUUCEWRRSA-N 2 2 411.547 -0.683 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000551188942 1069515635 /nfs/dbraw/zinc/51/56/35/1069515635.db2.gz LHIJUXPRANOTII-UHFFFAOYSA-N 2 2 415.538 -0.034 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000551189219 1069515577 /nfs/dbraw/zinc/51/55/77/1069515577.db2.gz SLZLRAXQRDQRHH-KRWDZBQOSA-N 2 2 407.490 -0.129 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000551189220 1069515835 /nfs/dbraw/zinc/51/58/35/1069515835.db2.gz SLZLRAXQRDQRHH-QGZVFWFLSA-N 2 2 407.490 -0.129 20 0 HBADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000551190555 1069516270 /nfs/dbraw/zinc/51/62/70/1069516270.db2.gz JJKLKCRVEZQPQQ-INIZCTEOSA-N 2 2 404.515 -0.237 20 0 HBADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000551190556 1069516187 /nfs/dbraw/zinc/51/61/87/1069516187.db2.gz JJKLKCRVEZQPQQ-MRXNPFEDSA-N 2 2 404.515 -0.237 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000551198235 1069519086 /nfs/dbraw/zinc/51/90/86/1069519086.db2.gz WOGOPVUTNYEUGC-GOSISDBHSA-N 2 2 421.517 -0.099 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000551198235 1069519082 /nfs/dbraw/zinc/51/90/82/1069519082.db2.gz WOGOPVUTNYEUGC-GOSISDBHSA-N 2 2 421.517 -0.099 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000551198236 1069519000 /nfs/dbraw/zinc/51/90/00/1069519000.db2.gz WOGOPVUTNYEUGC-SFHVURJKSA-N 2 2 421.517 -0.099 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000551198236 1069518995 /nfs/dbraw/zinc/51/89/95/1069518995.db2.gz WOGOPVUTNYEUGC-SFHVURJKSA-N 2 2 421.517 -0.099 20 0 HBADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000551322406 1069536285 /nfs/dbraw/zinc/53/62/85/1069536285.db2.gz OHOQGDDAGMHALA-UHFFFAOYSA-N 2 2 418.502 -0.904 20 0 HBADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000551322406 1069536280 /nfs/dbraw/zinc/53/62/80/1069536280.db2.gz OHOQGDDAGMHALA-UHFFFAOYSA-N 2 2 418.502 -0.904 20 0 HBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000551331305 1069536718 /nfs/dbraw/zinc/53/67/18/1069536718.db2.gz OENAGXNHJBITFD-UHFFFAOYSA-N 2 2 418.542 -0.109 20 0 HBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000551334189 1069535606 /nfs/dbraw/zinc/53/56/06/1069535606.db2.gz NJOGAIGGBPVNAR-KRWDZBQOSA-N 2 2 416.526 -0.357 20 0 HBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000551334189 1069535602 /nfs/dbraw/zinc/53/56/02/1069535602.db2.gz NJOGAIGGBPVNAR-KRWDZBQOSA-N 2 2 416.526 -0.357 20 0 HBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000551334193 1069535719 /nfs/dbraw/zinc/53/57/19/1069535719.db2.gz NJOGAIGGBPVNAR-QGZVFWFLSA-N 2 2 416.526 -0.357 20 0 HBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000551334193 1069535713 /nfs/dbraw/zinc/53/57/13/1069535713.db2.gz NJOGAIGGBPVNAR-QGZVFWFLSA-N 2 2 416.526 -0.357 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551472360 1069548842 /nfs/dbraw/zinc/54/88/42/1069548842.db2.gz RJKOIMNTDFUQNE-MOPGFXCFSA-N 2 2 410.607 -0.624 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551472361 1069548913 /nfs/dbraw/zinc/54/89/13/1069548913.db2.gz RJKOIMNTDFUQNE-OALUTQOASA-N 2 2 410.607 -0.624 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551472362 1069548937 /nfs/dbraw/zinc/54/89/37/1069548937.db2.gz RJKOIMNTDFUQNE-RBUKOAKNSA-N 2 2 410.607 -0.624 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551472363 1069548904 /nfs/dbraw/zinc/54/89/04/1069548904.db2.gz RJKOIMNTDFUQNE-RTBURBONSA-N 2 2 410.607 -0.624 20 0 HBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000551482060 1069551048 /nfs/dbraw/zinc/55/10/48/1069551048.db2.gz DKFVKHRXTZHYMK-KRWDZBQOSA-N 2 2 418.542 -0.262 20 0 HBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000551482061 1069551103 /nfs/dbraw/zinc/55/11/03/1069551103.db2.gz DKFVKHRXTZHYMK-QGZVFWFLSA-N 2 2 418.542 -0.262 20 0 HBADLP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000551506011 1069556319 /nfs/dbraw/zinc/55/63/19/1069556319.db2.gz WFGWOULUHSNXSK-MSOLQXFVSA-N 2 2 424.590 -0.955 20 0 HBADLP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000551506011 1069556310 /nfs/dbraw/zinc/55/63/10/1069556310.db2.gz WFGWOULUHSNXSK-MSOLQXFVSA-N 2 2 424.590 -0.955 20 0 HBADLP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000551506012 1069556372 /nfs/dbraw/zinc/55/63/72/1069556372.db2.gz WFGWOULUHSNXSK-QZTJIDSGSA-N 2 2 424.590 -0.955 20 0 HBADLP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000551506012 1069556363 /nfs/dbraw/zinc/55/63/63/1069556363.db2.gz WFGWOULUHSNXSK-QZTJIDSGSA-N 2 2 424.590 -0.955 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000551506013 1069556626 /nfs/dbraw/zinc/55/66/26/1069556626.db2.gz WFGWOULUHSNXSK-ROUUACIJSA-N 2 2 424.590 -0.955 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000551506013 1069556619 /nfs/dbraw/zinc/55/66/19/1069556619.db2.gz WFGWOULUHSNXSK-ROUUACIJSA-N 2 2 424.590 -0.955 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000551506014 1069556667 /nfs/dbraw/zinc/55/66/67/1069556667.db2.gz WFGWOULUHSNXSK-ZWKOTPCHSA-N 2 2 424.590 -0.955 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000551506014 1069556662 /nfs/dbraw/zinc/55/66/62/1069556662.db2.gz WFGWOULUHSNXSK-ZWKOTPCHSA-N 2 2 424.590 -0.955 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551506097 1069556556 /nfs/dbraw/zinc/55/65/56/1069556556.db2.gz XWXXRVQPRDZVKM-GBESFXJTSA-N 2 2 411.591 -0.008 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551506097 1069556548 /nfs/dbraw/zinc/55/65/48/1069556548.db2.gz XWXXRVQPRDZVKM-GBESFXJTSA-N 2 2 411.591 -0.008 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551506098 1069556392 /nfs/dbraw/zinc/55/63/92/1069556392.db2.gz XWXXRVQPRDZVKM-GUDVDZBRSA-N 2 2 411.591 -0.008 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551506099 1069556593 /nfs/dbraw/zinc/55/65/93/1069556593.db2.gz XWXXRVQPRDZVKM-QRVBRYPASA-N 2 2 411.591 -0.008 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551506099 1069556583 /nfs/dbraw/zinc/55/65/83/1069556583.db2.gz XWXXRVQPRDZVKM-QRVBRYPASA-N 2 2 411.591 -0.008 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000551506100 1069556683 /nfs/dbraw/zinc/55/66/83/1069556683.db2.gz XWXXRVQPRDZVKM-QYZOEREBSA-N 2 2 411.591 -0.008 20 0 HBADLP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000551506179 1069556414 /nfs/dbraw/zinc/55/64/14/1069556414.db2.gz ZORALIDDPGGLNR-GOSISDBHSA-N 2 2 409.575 -0.443 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000551506180 1069556675 /nfs/dbraw/zinc/55/66/75/1069556675.db2.gz ZORALIDDPGGLNR-SFHVURJKSA-N 2 2 409.575 -0.443 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000551506937 1069554778 /nfs/dbraw/zinc/55/47/78/1069554778.db2.gz GROHOGHJXIOXPJ-MOPGFXCFSA-N 2 2 409.575 -0.443 20 0 HBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000551506937 1069554767 /nfs/dbraw/zinc/55/47/67/1069554767.db2.gz GROHOGHJXIOXPJ-MOPGFXCFSA-N 2 2 409.575 -0.443 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000551506939 1069555378 /nfs/dbraw/zinc/55/53/78/1069555378.db2.gz GROHOGHJXIOXPJ-OALUTQOASA-N 2 2 409.575 -0.443 20 0 HBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000551506939 1069555373 /nfs/dbraw/zinc/55/53/73/1069555373.db2.gz GROHOGHJXIOXPJ-OALUTQOASA-N 2 2 409.575 -0.443 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000551506940 1069555440 /nfs/dbraw/zinc/55/54/40/1069555440.db2.gz GROHOGHJXIOXPJ-RBUKOAKNSA-N 2 2 409.575 -0.443 20 0 HBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000551506940 1069555432 /nfs/dbraw/zinc/55/54/32/1069555432.db2.gz GROHOGHJXIOXPJ-RBUKOAKNSA-N 2 2 409.575 -0.443 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000551506941 1069555236 /nfs/dbraw/zinc/55/52/36/1069555236.db2.gz GROHOGHJXIOXPJ-RTBURBONSA-N 2 2 409.575 -0.443 20 0 HBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000551506941 1069555222 /nfs/dbraw/zinc/55/52/22/1069555222.db2.gz GROHOGHJXIOXPJ-RTBURBONSA-N 2 2 409.575 -0.443 20 0 HBADLP CCN(CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000551635270 1069568705 /nfs/dbraw/zinc/56/87/05/1069568705.db2.gz SSHXZYRSFHEAOX-UHFFFAOYSA-N 2 2 419.592 -0.741 20 0 HBADLP CCN(CCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000551635270 1069568700 /nfs/dbraw/zinc/56/87/00/1069568700.db2.gz SSHXZYRSFHEAOX-UHFFFAOYSA-N 2 2 419.592 -0.741 20 0 HBADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000552316655 1069784705 /nfs/dbraw/zinc/78/47/05/1069784705.db2.gz XKMXBWWYLDVFPD-UHFFFAOYSA-N 2 2 418.542 -0.635 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000552317223 1069784778 /nfs/dbraw/zinc/78/47/78/1069784778.db2.gz ITYNMUPMDQUNRB-KRWDZBQOSA-N 2 2 404.515 -0.714 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000552317223 1069784771 /nfs/dbraw/zinc/78/47/71/1069784771.db2.gz ITYNMUPMDQUNRB-KRWDZBQOSA-N 2 2 404.515 -0.714 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000552317224 1069784810 /nfs/dbraw/zinc/78/48/10/1069784810.db2.gz ITYNMUPMDQUNRB-QGZVFWFLSA-N 2 2 404.515 -0.714 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000552317224 1069784805 /nfs/dbraw/zinc/78/48/05/1069784805.db2.gz ITYNMUPMDQUNRB-QGZVFWFLSA-N 2 2 404.515 -0.714 20 0 HBADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1C ZINC000552317750 1069785004 /nfs/dbraw/zinc/78/50/04/1069785004.db2.gz XYXWDGDAURFZSL-UHFFFAOYSA-N 2 2 414.514 -0.435 20 0 HBADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1=O ZINC000552352878 1069785516 /nfs/dbraw/zinc/78/55/16/1069785516.db2.gz WLIHBNYSVFIPOZ-GOSISDBHSA-N 2 2 420.558 -0.073 20 0 HBADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1=O ZINC000552352878 1069785503 /nfs/dbraw/zinc/78/55/03/1069785503.db2.gz WLIHBNYSVFIPOZ-GOSISDBHSA-N 2 2 420.558 -0.073 20 0 HBADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1=O ZINC000552352879 1069785643 /nfs/dbraw/zinc/78/56/43/1069785643.db2.gz WLIHBNYSVFIPOZ-SFHVURJKSA-N 2 2 420.558 -0.073 20 0 HBADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1=O ZINC000552352879 1069785636 /nfs/dbraw/zinc/78/56/36/1069785636.db2.gz WLIHBNYSVFIPOZ-SFHVURJKSA-N 2 2 420.558 -0.073 20 0 HBADLP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CC2)CC1 ZINC000552513912 1069805529 /nfs/dbraw/zinc/80/55/29/1069805529.db2.gz IPSYTGNUBCFUDI-UHFFFAOYSA-N 2 2 421.586 -0.016 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)CC2)CC1 ZINC000552515483 1069805432 /nfs/dbraw/zinc/80/54/32/1069805432.db2.gz NNARADCWIFWHDH-UHFFFAOYSA-N 2 2 415.542 -0.200 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)CC2)CC1 ZINC000552519663 1069806948 /nfs/dbraw/zinc/80/69/48/1069806948.db2.gz SFHAXSQIEOPOQP-GOSISDBHSA-N 3 2 421.586 -0.158 20 0 HBADLP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)CC2)CC1 ZINC000552519663 1069806926 /nfs/dbraw/zinc/80/69/26/1069806926.db2.gz SFHAXSQIEOPOQP-GOSISDBHSA-N 2 2 421.586 -0.158 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)CC1 ZINC000552519664 1069807116 /nfs/dbraw/zinc/80/71/16/1069807116.db2.gz SFHAXSQIEOPOQP-SFHVURJKSA-N 3 2 421.586 -0.158 20 0 HBADLP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)CC1 ZINC000552519664 1069807091 /nfs/dbraw/zinc/80/70/91/1069807091.db2.gz SFHAXSQIEOPOQP-SFHVURJKSA-N 2 2 421.586 -0.158 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3CCOCC3(C)C)CC2)CC1 ZINC000552521003 1069806561 /nfs/dbraw/zinc/80/65/61/1069806561.db2.gz PPPURMCGQCXSPN-UHFFFAOYSA-N 2 2 409.575 -0.112 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)CC2)CC1 ZINC000552521060 1069806528 /nfs/dbraw/zinc/80/65/28/1069806528.db2.gz RFDDBVLQVOZSBG-UHFFFAOYSA-N 2 2 417.558 -0.271 20 0 HBADLP CC(C)CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000552521165 1069807039 /nfs/dbraw/zinc/80/70/39/1069807039.db2.gz VLKAOAQIWUYWEA-UHFFFAOYSA-N 2 2 407.559 -0.012 20 0 HBADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000552542253 1069810821 /nfs/dbraw/zinc/81/08/21/1069810821.db2.gz FCQDCNHJWRQORS-UHFFFAOYSA-N 2 2 404.515 -0.290 20 0 HBADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000552558270 1069812809 /nfs/dbraw/zinc/81/28/09/1069812809.db2.gz DGVKZLAQCZUPIO-INIZCTEOSA-N 2 2 421.567 -0.074 20 0 HBADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000552558270 1069812786 /nfs/dbraw/zinc/81/27/86/1069812786.db2.gz DGVKZLAQCZUPIO-INIZCTEOSA-N 2 2 421.567 -0.074 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000552558270 1069812765 /nfs/dbraw/zinc/81/27/65/1069812765.db2.gz DGVKZLAQCZUPIO-INIZCTEOSA-N 2 2 421.567 -0.074 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000552558270 1069812746 /nfs/dbraw/zinc/81/27/46/1069812746.db2.gz DGVKZLAQCZUPIO-INIZCTEOSA-N 2 2 421.567 -0.074 20 0 HBADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000552558271 1069812404 /nfs/dbraw/zinc/81/24/04/1069812404.db2.gz DGVKZLAQCZUPIO-MRXNPFEDSA-N 2 2 421.567 -0.074 20 0 HBADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000552558271 1069812375 /nfs/dbraw/zinc/81/23/75/1069812375.db2.gz DGVKZLAQCZUPIO-MRXNPFEDSA-N 2 2 421.567 -0.074 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000552558271 1069812349 /nfs/dbraw/zinc/81/23/49/1069812349.db2.gz DGVKZLAQCZUPIO-MRXNPFEDSA-N 2 2 421.567 -0.074 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000552558271 1069812324 /nfs/dbraw/zinc/81/23/24/1069812324.db2.gz DGVKZLAQCZUPIO-MRXNPFEDSA-N 2 2 421.567 -0.074 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000552568812 1069816559 /nfs/dbraw/zinc/81/65/59/1069816559.db2.gz WOKMXWVLRLDNBV-FGTMMUONSA-N 2 2 423.558 -0.550 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000552568812 1069816537 /nfs/dbraw/zinc/81/65/37/1069816537.db2.gz WOKMXWVLRLDNBV-FGTMMUONSA-N 2 2 423.558 -0.550 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000552568813 1069816143 /nfs/dbraw/zinc/81/61/43/1069816143.db2.gz WOKMXWVLRLDNBV-KURKYZTESA-N 2 2 423.558 -0.550 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000552568813 1069816130 /nfs/dbraw/zinc/81/61/30/1069816130.db2.gz WOKMXWVLRLDNBV-KURKYZTESA-N 2 2 423.558 -0.550 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000552568814 1069816072 /nfs/dbraw/zinc/81/60/72/1069816072.db2.gz WOKMXWVLRLDNBV-KZNAEPCWSA-N 2 2 423.558 -0.550 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000552568814 1069816046 /nfs/dbraw/zinc/81/60/46/1069816046.db2.gz WOKMXWVLRLDNBV-KZNAEPCWSA-N 2 2 423.558 -0.550 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000552568815 1069816633 /nfs/dbraw/zinc/81/66/33/1069816633.db2.gz WOKMXWVLRLDNBV-SQNIBIBYSA-N 2 2 423.558 -0.550 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000552568815 1069816618 /nfs/dbraw/zinc/81/66/18/1069816618.db2.gz WOKMXWVLRLDNBV-SQNIBIBYSA-N 2 2 423.558 -0.550 20 0 HBADLP CC[N@@H+](CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000552581410 1069817461 /nfs/dbraw/zinc/81/74/61/1069817461.db2.gz UMDSMQAJAQNZHY-UHFFFAOYSA-N 2 2 416.526 -0.163 20 0 HBADLP CC[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000552581410 1069817441 /nfs/dbraw/zinc/81/74/41/1069817441.db2.gz UMDSMQAJAQNZHY-UHFFFAOYSA-N 2 2 416.526 -0.163 20 0 HBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590624 1069822558 /nfs/dbraw/zinc/82/25/58/1069822558.db2.gz QBILFDYTPXUUSL-UHFFFAOYSA-N 2 2 416.526 -0.211 20 0 HBADLP CN(CCC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552591821 1069823552 /nfs/dbraw/zinc/82/35/52/1069823552.db2.gz LILMECVLWUHNKZ-UHFFFAOYSA-N 2 2 404.515 -0.353 20 0 HBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000552747654 1069846457 /nfs/dbraw/zinc/84/64/57/1069846457.db2.gz SAELJSURFFGZAC-AWEZNQCLSA-N 2 2 402.503 -0.142 20 0 HBADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000552747654 1069846431 /nfs/dbraw/zinc/84/64/31/1069846431.db2.gz SAELJSURFFGZAC-AWEZNQCLSA-N 2 2 402.503 -0.142 20 0 HBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000552747655 1069846093 /nfs/dbraw/zinc/84/60/93/1069846093.db2.gz SAELJSURFFGZAC-CQSZACIVSA-N 2 2 402.503 -0.142 20 0 HBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000552747655 1069846079 /nfs/dbraw/zinc/84/60/79/1069846079.db2.gz SAELJSURFFGZAC-CQSZACIVSA-N 2 2 402.503 -0.142 20 0 HBADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000552761449 1069847617 /nfs/dbraw/zinc/84/76/17/1069847617.db2.gz SRRMNPHJXJWDEY-UHFFFAOYSA-N 2 2 419.526 -0.615 20 0 HBADLP C[C@H](C(=O)NCC1(NC(=O)[C@H](C)N2CC[NH+](C)CC2)CCC1)N1CC[NH+](C)CC1 ZINC000552777013 1069850595 /nfs/dbraw/zinc/85/05/95/1069850595.db2.gz URIXFPHEDMJCQF-MSOLQXFVSA-N 2 2 408.591 -0.587 20 0 HBADLP C[C@H](C(=O)NCC1(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CCC1)N1CC[NH+](C)CC1 ZINC000552777015 1069850944 /nfs/dbraw/zinc/85/09/44/1069850944.db2.gz URIXFPHEDMJCQF-QZTJIDSGSA-N 2 2 408.591 -0.587 20 0 HBADLP C[C@@H](C(=O)NCC1(NC(=O)[C@H](C)N2CC[NH+](C)CC2)CCC1)N1CC[NH+](C)CC1 ZINC000552777017 1069850756 /nfs/dbraw/zinc/85/07/56/1069850756.db2.gz URIXFPHEDMJCQF-ROUUACIJSA-N 2 2 408.591 -0.587 20 0 HBADLP C[C@H](C(=O)NC1(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)CCC1)N1CC[NH+](C)CC1 ZINC000552777019 1069850640 /nfs/dbraw/zinc/85/06/40/1069850640.db2.gz URIXFPHEDMJCQF-ZWKOTPCHSA-N 2 2 408.591 -0.587 20 0 HBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000552802128 1069856747 /nfs/dbraw/zinc/85/67/47/1069856747.db2.gz YWPKXJJKJCOOCV-KRWDZBQOSA-N 2 2 411.547 -0.774 20 0 HBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000552802128 1069856725 /nfs/dbraw/zinc/85/67/25/1069856725.db2.gz YWPKXJJKJCOOCV-KRWDZBQOSA-N 2 2 411.547 -0.774 20 0 HBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000552802129 1069855523 /nfs/dbraw/zinc/85/55/23/1069855523.db2.gz YWPKXJJKJCOOCV-QGZVFWFLSA-N 2 2 411.547 -0.774 20 0 HBADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000552802129 1069855493 /nfs/dbraw/zinc/85/54/93/1069855493.db2.gz YWPKXJJKJCOOCV-QGZVFWFLSA-N 2 2 411.547 -0.774 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000552826900 1069860930 /nfs/dbraw/zinc/86/09/30/1069860930.db2.gz GIBMEIRXCDTSLS-FXAWDEMLSA-N 2 2 418.538 -0.299 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000552826900 1069860914 /nfs/dbraw/zinc/86/09/14/1069860914.db2.gz GIBMEIRXCDTSLS-FXAWDEMLSA-N 2 2 418.538 -0.299 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000552826902 1069861088 /nfs/dbraw/zinc/86/10/88/1069861088.db2.gz GIBMEIRXCDTSLS-PXNSSMCTSA-N 2 2 418.538 -0.299 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000552826902 1069861070 /nfs/dbraw/zinc/86/10/70/1069861070.db2.gz GIBMEIRXCDTSLS-PXNSSMCTSA-N 2 2 418.538 -0.299 20 0 HBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000552826903 1069860733 /nfs/dbraw/zinc/86/07/33/1069860733.db2.gz GIBMEIRXCDTSLS-XLIONFOSSA-N 2 2 418.538 -0.299 20 0 HBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000552826903 1069860706 /nfs/dbraw/zinc/86/07/06/1069860706.db2.gz GIBMEIRXCDTSLS-XLIONFOSSA-N 2 2 418.538 -0.299 20 0 HBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000552826904 1069860472 /nfs/dbraw/zinc/86/04/72/1069860472.db2.gz GIBMEIRXCDTSLS-YLJYHZDGSA-N 2 2 418.538 -0.299 20 0 HBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000552826904 1069860457 /nfs/dbraw/zinc/86/04/57/1069860457.db2.gz GIBMEIRXCDTSLS-YLJYHZDGSA-N 2 2 418.538 -0.299 20 0 HBADLP C[C@H]([C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)N1CCOCC1 ZINC000552861858 1069864316 /nfs/dbraw/zinc/86/43/16/1069864316.db2.gz VDPKJUWERCXIMT-DLBZAZTESA-N 2 2 409.575 -0.113 20 0 HBADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)N1CCOCC1 ZINC000552861859 1069864144 /nfs/dbraw/zinc/86/41/44/1069864144.db2.gz VDPKJUWERCXIMT-IAGOWNOFSA-N 2 2 409.575 -0.113 20 0 HBADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)N1CCOCC1 ZINC000552861860 1069864289 /nfs/dbraw/zinc/86/42/89/1069864289.db2.gz VDPKJUWERCXIMT-IRXDYDNUSA-N 2 2 409.575 -0.113 20 0 HBADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)N1CCOCC1 ZINC000552861861 1069864105 /nfs/dbraw/zinc/86/41/05/1069864105.db2.gz VDPKJUWERCXIMT-SJORKVTESA-N 2 2 409.575 -0.113 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)CC1 ZINC000552863213 1069864778 /nfs/dbraw/zinc/86/47/78/1069864778.db2.gz PANONIWCKOKONE-UHFFFAOYSA-N 3 2 422.618 -0.197 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CC1 ZINC000552863213 1069864754 /nfs/dbraw/zinc/86/47/54/1069864754.db2.gz PANONIWCKOKONE-UHFFFAOYSA-N 3 2 422.618 -0.197 20 0 HBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552864479 1069865242 /nfs/dbraw/zinc/86/52/42/1069865242.db2.gz HSDYTEJLDJBXBG-IBGZPJMESA-N 3 2 409.575 -0.112 20 0 HBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552864479 1069865231 /nfs/dbraw/zinc/86/52/31/1069865231.db2.gz HSDYTEJLDJBXBG-IBGZPJMESA-N 3 2 409.575 -0.112 20 0 HBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552864480 1069865031 /nfs/dbraw/zinc/86/50/31/1069865031.db2.gz HSDYTEJLDJBXBG-LJQANCHMSA-N 3 2 409.575 -0.112 20 0 HBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552864480 1069865023 /nfs/dbraw/zinc/86/50/23/1069865023.db2.gz HSDYTEJLDJBXBG-LJQANCHMSA-N 3 2 409.575 -0.112 20 0 HBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552864777 1069865098 /nfs/dbraw/zinc/86/50/98/1069865098.db2.gz PPMHSQWRXHEXDP-UHFFFAOYSA-N 4 2 410.607 -0.387 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)CC2)CC1 ZINC000552864914 1069864613 /nfs/dbraw/zinc/86/46/13/1069864613.db2.gz UPTYIJNZNYUDGT-UHFFFAOYSA-N 2 2 419.448 -0.148 20 0 HBADLP CCCC[C@H](NC(N)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000552888444 1069866796 /nfs/dbraw/zinc/86/67/96/1069866796.db2.gz IIHYJPRWKAMMPB-KRWDZBQOSA-N 2 2 410.563 -0.090 20 0 HBADLP CCCC[C@@H](NC(N)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000552888445 1069867250 /nfs/dbraw/zinc/86/72/50/1069867250.db2.gz IIHYJPRWKAMMPB-QGZVFWFLSA-N 2 2 410.563 -0.090 20 0 HBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552891867 1069867532 /nfs/dbraw/zinc/86/75/32/1069867532.db2.gz NNXJGGUQASIFDF-KRWDZBQOSA-N 2 2 411.547 -0.741 20 0 HBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552891867 1069867503 /nfs/dbraw/zinc/86/75/03/1069867503.db2.gz NNXJGGUQASIFDF-KRWDZBQOSA-N 2 2 411.547 -0.741 20 0 HBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552891868 1069868205 /nfs/dbraw/zinc/86/82/05/1069868205.db2.gz NNXJGGUQASIFDF-QGZVFWFLSA-N 2 2 411.547 -0.741 20 0 HBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552891868 1069868185 /nfs/dbraw/zinc/86/81/85/1069868185.db2.gz NNXJGGUQASIFDF-QGZVFWFLSA-N 2 2 411.547 -0.741 20 0 HBADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552894409 1069868734 /nfs/dbraw/zinc/86/87/34/1069868734.db2.gz RCAQGSNCTDSAKB-HNNXBMFYSA-N 2 2 404.515 -0.119 20 0 HBADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552894409 1069868707 /nfs/dbraw/zinc/86/87/07/1069868707.db2.gz RCAQGSNCTDSAKB-HNNXBMFYSA-N 2 2 404.515 -0.119 20 0 HBADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552894410 1069868570 /nfs/dbraw/zinc/86/85/70/1069868570.db2.gz RCAQGSNCTDSAKB-OAHLLOKOSA-N 2 2 404.515 -0.119 20 0 HBADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552894410 1069868551 /nfs/dbraw/zinc/86/85/51/1069868551.db2.gz RCAQGSNCTDSAKB-OAHLLOKOSA-N 2 2 404.515 -0.119 20 0 HBADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872808 /nfs/dbraw/zinc/87/28/08/1069872808.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 3 2 424.590 -0.826 20 0 HBADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872782 /nfs/dbraw/zinc/87/27/82/1069872782.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 3 2 424.590 -0.826 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872757 /nfs/dbraw/zinc/87/27/57/1069872757.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 3 2 424.590 -0.826 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872736 /nfs/dbraw/zinc/87/27/36/1069872736.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 3 2 424.590 -0.826 20 0 HBADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873958 /nfs/dbraw/zinc/87/39/58/1069873958.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 3 2 424.590 -0.826 20 0 HBADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873938 /nfs/dbraw/zinc/87/39/38/1069873938.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 3 2 424.590 -0.826 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873917 /nfs/dbraw/zinc/87/39/17/1069873917.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 3 2 424.590 -0.826 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873905 /nfs/dbraw/zinc/87/39/05/1069873905.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 3 2 424.590 -0.826 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000552901584 1069874991 /nfs/dbraw/zinc/87/49/91/1069874991.db2.gz PBDQQMBUCOLCMW-DLBZAZTESA-N 2 2 411.547 -0.837 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000552901584 1069874970 /nfs/dbraw/zinc/87/49/70/1069874970.db2.gz PBDQQMBUCOLCMW-DLBZAZTESA-N 2 2 411.547 -0.837 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000552901585 1069874455 /nfs/dbraw/zinc/87/44/55/1069874455.db2.gz PBDQQMBUCOLCMW-IAGOWNOFSA-N 2 2 411.547 -0.837 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000552901585 1069874444 /nfs/dbraw/zinc/87/44/44/1069874444.db2.gz PBDQQMBUCOLCMW-IAGOWNOFSA-N 2 2 411.547 -0.837 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000552901586 1069874281 /nfs/dbraw/zinc/87/42/81/1069874281.db2.gz PBDQQMBUCOLCMW-IRXDYDNUSA-N 2 2 411.547 -0.837 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000552901586 1069874274 /nfs/dbraw/zinc/87/42/74/1069874274.db2.gz PBDQQMBUCOLCMW-IRXDYDNUSA-N 2 2 411.547 -0.837 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000552901587 1069874883 /nfs/dbraw/zinc/87/48/83/1069874883.db2.gz PBDQQMBUCOLCMW-SJORKVTESA-N 2 2 411.547 -0.837 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000552901587 1069874859 /nfs/dbraw/zinc/87/48/59/1069874859.db2.gz PBDQQMBUCOLCMW-SJORKVTESA-N 2 2 411.547 -0.837 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000552910469 1069871482 /nfs/dbraw/zinc/87/14/82/1069871482.db2.gz OUBSXGKIOHMQQR-MSOLQXFVSA-N 2 2 423.558 -0.597 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000552910469 1069871467 /nfs/dbraw/zinc/87/14/67/1069871467.db2.gz OUBSXGKIOHMQQR-MSOLQXFVSA-N 2 2 423.558 -0.597 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000552910470 1069871911 /nfs/dbraw/zinc/87/19/11/1069871911.db2.gz OUBSXGKIOHMQQR-QZTJIDSGSA-N 2 2 423.558 -0.597 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000552910470 1069871891 /nfs/dbraw/zinc/87/18/91/1069871891.db2.gz OUBSXGKIOHMQQR-QZTJIDSGSA-N 2 2 423.558 -0.597 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000552910471 1069872226 /nfs/dbraw/zinc/87/22/26/1069872226.db2.gz OUBSXGKIOHMQQR-ROUUACIJSA-N 2 2 423.558 -0.597 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000552910471 1069872200 /nfs/dbraw/zinc/87/22/00/1069872200.db2.gz OUBSXGKIOHMQQR-ROUUACIJSA-N 2 2 423.558 -0.597 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000552910472 1069872430 /nfs/dbraw/zinc/87/24/30/1069872430.db2.gz OUBSXGKIOHMQQR-ZWKOTPCHSA-N 2 2 423.558 -0.597 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000552910472 1069872407 /nfs/dbraw/zinc/87/24/07/1069872407.db2.gz OUBSXGKIOHMQQR-ZWKOTPCHSA-N 2 2 423.558 -0.597 20 0 HBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552934025 1069883962 /nfs/dbraw/zinc/88/39/62/1069883962.db2.gz MNEOXWGXBJGOBM-KRWDZBQOSA-N 2 2 416.526 -0.211 20 0 HBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552934025 1069883929 /nfs/dbraw/zinc/88/39/29/1069883929.db2.gz MNEOXWGXBJGOBM-KRWDZBQOSA-N 2 2 416.526 -0.211 20 0 HBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552934026 1069883755 /nfs/dbraw/zinc/88/37/55/1069883755.db2.gz MNEOXWGXBJGOBM-QGZVFWFLSA-N 2 2 416.526 -0.211 20 0 HBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552934026 1069883741 /nfs/dbraw/zinc/88/37/41/1069883741.db2.gz MNEOXWGXBJGOBM-QGZVFWFLSA-N 2 2 416.526 -0.211 20 0 HBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552935133 1069884249 /nfs/dbraw/zinc/88/42/49/1069884249.db2.gz CNYBWBRBOFNAMV-UHFFFAOYSA-N 2 2 416.526 -0.209 20 0 HBADLP CC(C)Nc1nc(NCC[NH+]2CCN(c3ccccc3)CC2)nc(NCCO)[nH+]1 ZINC000552972971 1069889776 /nfs/dbraw/zinc/88/97/76/1069889776.db2.gz ASWAGXXZQTVVAG-UHFFFAOYSA-N 2 2 400.531 -0.404 20 0 HBADLP C[C@](O)(CNc1cncc(NC[C@](C)(O)C[NH+]2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000553078591 1069910743 /nfs/dbraw/zinc/91/07/43/1069910743.db2.gz UBVVASZPGTZXFF-PMACEKPBSA-N 2 2 424.546 -0.533 20 0 HBADLP C[C@@](O)(CNc1cncc(NC[C@@](C)(O)C[NH+]2CCOCC2)n1)C[NH+]1CCOCC1 ZINC000553078592 1069910882 /nfs/dbraw/zinc/91/08/82/1069910882.db2.gz UBVVASZPGTZXFF-WOJBJXKFSA-N 2 2 424.546 -0.533 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000553148439 1069916678 /nfs/dbraw/zinc/91/66/78/1069916678.db2.gz QQGHLCZAUPQUBW-HNNXBMFYSA-N 2 2 407.519 -0.839 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000553148439 1069916670 /nfs/dbraw/zinc/91/66/70/1069916670.db2.gz QQGHLCZAUPQUBW-HNNXBMFYSA-N 2 2 407.519 -0.839 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000553148440 1069916572 /nfs/dbraw/zinc/91/65/72/1069916572.db2.gz QQGHLCZAUPQUBW-OAHLLOKOSA-N 2 2 407.519 -0.839 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000553148440 1069916558 /nfs/dbraw/zinc/91/65/58/1069916558.db2.gz QQGHLCZAUPQUBW-OAHLLOKOSA-N 2 2 407.519 -0.839 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000553157317 1069922448 /nfs/dbraw/zinc/92/24/48/1069922448.db2.gz BQNOZJMLOVETFP-UHFFFAOYSA-N 2 2 403.527 -0.071 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000553157317 1069922436 /nfs/dbraw/zinc/92/24/36/1069922436.db2.gz BQNOZJMLOVETFP-UHFFFAOYSA-N 2 2 403.527 -0.071 20 0 HBADLP CC(C)Nc1nc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc(NCCO)[nH+]1 ZINC000553160202 1069922504 /nfs/dbraw/zinc/92/25/04/1069922504.db2.gz BLSACDADXOGTKU-KRWDZBQOSA-N 2 2 401.515 -0.460 20 0 HBADLP CC(C)Nc1nc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc(NCCO)[nH+]1 ZINC000553160202 1069922486 /nfs/dbraw/zinc/92/24/86/1069922486.db2.gz BLSACDADXOGTKU-KRWDZBQOSA-N 2 2 401.515 -0.460 20 0 HBADLP CC(C)Nc1nc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000553160203 1069922637 /nfs/dbraw/zinc/92/26/37/1069922637.db2.gz BLSACDADXOGTKU-QGZVFWFLSA-N 2 2 401.515 -0.460 20 0 HBADLP CC(C)Nc1nc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc(NCCO)[nH+]1 ZINC000553160203 1069922630 /nfs/dbraw/zinc/92/26/30/1069922630.db2.gz BLSACDADXOGTKU-QGZVFWFLSA-N 2 2 401.515 -0.460 20 0 HBADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000553278026 1069938221 /nfs/dbraw/zinc/93/82/21/1069938221.db2.gz DVRUVGLMUMAPLE-INIZCTEOSA-N 2 2 412.531 -0.301 20 0 HBADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000553278026 1069938203 /nfs/dbraw/zinc/93/82/03/1069938203.db2.gz DVRUVGLMUMAPLE-INIZCTEOSA-N 2 2 412.531 -0.301 20 0 HBADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000553278027 1069938430 /nfs/dbraw/zinc/93/84/30/1069938430.db2.gz DVRUVGLMUMAPLE-MRXNPFEDSA-N 2 2 412.531 -0.301 20 0 HBADLP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000553278027 1069938427 /nfs/dbraw/zinc/93/84/27/1069938427.db2.gz DVRUVGLMUMAPLE-MRXNPFEDSA-N 2 2 412.531 -0.301 20 0 HBADLP CNC(=O)C[NH+]1CCC(Nc2cncc(NC3CC[NH+](CC(=O)NC)CC3)n2)CC1 ZINC000553308396 1069944340 /nfs/dbraw/zinc/94/43/40/1069944340.db2.gz UJQNYHIBLQDPCM-UHFFFAOYSA-N 2 2 418.546 -0.279 20 0 HBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[N@@H+](C)C1CC1 ZINC000553367236 1069951955 /nfs/dbraw/zinc/95/19/55/1069951955.db2.gz GDOWEQRAIDBZIU-CYBMUJFWSA-N 2 2 400.487 -0.389 20 0 HBADLP C[C@H](CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[N@H+](C)C1CC1 ZINC000553367236 1069951947 /nfs/dbraw/zinc/95/19/47/1069951947.db2.gz GDOWEQRAIDBZIU-CYBMUJFWSA-N 2 2 400.487 -0.389 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[N@@H+](C)C1CC1 ZINC000553367237 1069951606 /nfs/dbraw/zinc/95/16/06/1069951606.db2.gz GDOWEQRAIDBZIU-ZDUSSCGKSA-N 2 2 400.487 -0.389 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[N@H+](C)C1CC1 ZINC000553367237 1069951592 /nfs/dbraw/zinc/95/15/92/1069951592.db2.gz GDOWEQRAIDBZIU-ZDUSSCGKSA-N 2 2 400.487 -0.389 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNc1nc(NC[C@H]2C[NH+](C)CCN2C)nc2c1SCC2 ZINC000553387406 1069953538 /nfs/dbraw/zinc/95/35/38/1069953538.db2.gz BQDNCFFZHCIVKX-CVEARBPZSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNc1nc(NC[C@H]2C[NH+](C)CCN2C)nc2c1SCC2 ZINC000553387406 1069953532 /nfs/dbraw/zinc/95/35/32/1069953532.db2.gz BQDNCFFZHCIVKX-CVEARBPZSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@H]2C[N@H+](C)CCN2C)nc2c1SCC2 ZINC000553387406 1069953521 /nfs/dbraw/zinc/95/35/21/1069953521.db2.gz BQDNCFFZHCIVKX-CVEARBPZSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@H]2C[N@@H+](C)CCN2C)nc2c1SCC2 ZINC000553387406 1069953510 /nfs/dbraw/zinc/95/35/10/1069953510.db2.gz BQDNCFFZHCIVKX-CVEARBPZSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNc1nc2c(c(NC[C@H]3C[N@@H+](C)CCN3C)n1)SCC2 ZINC000553387409 1069953597 /nfs/dbraw/zinc/95/35/97/1069953597.db2.gz BQDNCFFZHCIVKX-HOTGVXAUSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNc1nc2c(c(NC[C@H]3C[N@H+](C)CCN3C)n1)SCC2 ZINC000553387409 1069953588 /nfs/dbraw/zinc/95/35/88/1069953588.db2.gz BQDNCFFZHCIVKX-HOTGVXAUSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNc1nc(NC[C@H]2C[N@H+](C)CCN2C)nc2c1SCC2 ZINC000553387409 1069953580 /nfs/dbraw/zinc/95/35/80/1069953580.db2.gz BQDNCFFZHCIVKX-HOTGVXAUSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNc1nc(NC[C@H]2C[N@@H+](C)CCN2C)nc2c1SCC2 ZINC000553387409 1069953572 /nfs/dbraw/zinc/95/35/72/1069953572.db2.gz BQDNCFFZHCIVKX-HOTGVXAUSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNc1nc2c(c(NC[C@@H]3C[N@@H+](C)CCN3C)n1)SCC2 ZINC000553387410 1069953637 /nfs/dbraw/zinc/95/36/37/1069953637.db2.gz BQDNCFFZHCIVKX-HZPDHXFCSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNc1nc2c(c(NC[C@@H]3C[N@H+](C)CCN3C)n1)SCC2 ZINC000553387410 1069953631 /nfs/dbraw/zinc/95/36/31/1069953631.db2.gz BQDNCFFZHCIVKX-HZPDHXFCSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@@H]2C[N@H+](C)CCN2C)nc2c1SCC2 ZINC000553387410 1069953623 /nfs/dbraw/zinc/95/36/23/1069953623.db2.gz BQDNCFFZHCIVKX-HZPDHXFCSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)nc2c1SCC2 ZINC000553387410 1069953617 /nfs/dbraw/zinc/95/36/17/1069953617.db2.gz BQDNCFFZHCIVKX-HZPDHXFCSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNc1nc2c(c(NC[C@H]3C[N@@H+](C)CCN3C)n1)SCC2 ZINC000553387411 1069953427 /nfs/dbraw/zinc/95/34/27/1069953427.db2.gz BQDNCFFZHCIVKX-JKSUJKDBSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNc1nc2c(c(NC[C@H]3C[N@H+](C)CCN3C)n1)SCC2 ZINC000553387411 1069953420 /nfs/dbraw/zinc/95/34/20/1069953420.db2.gz BQDNCFFZHCIVKX-JKSUJKDBSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNc1nc2c(c(NC[C@H]3C[NH+](C)CCN3C)n1)SCC2 ZINC000553387411 1069953411 /nfs/dbraw/zinc/95/34/11/1069953411.db2.gz BQDNCFFZHCIVKX-JKSUJKDBSA-N 2 2 420.631 -0.716 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNc1nc2c(c(NC[C@H]3C[NH+](C)CCN3C)n1)SCC2 ZINC000553387411 1069953397 /nfs/dbraw/zinc/95/33/97/1069953397.db2.gz BQDNCFFZHCIVKX-JKSUJKDBSA-N 2 2 420.631 -0.716 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000553393866 1069954502 /nfs/dbraw/zinc/95/45/02/1069954502.db2.gz AJRHDGUPOPYZBC-DLBZAZTESA-N 2 2 423.583 -0.010 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000553393866 1069954491 /nfs/dbraw/zinc/95/44/91/1069954491.db2.gz AJRHDGUPOPYZBC-DLBZAZTESA-N 2 2 423.583 -0.010 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000553393867 1069954257 /nfs/dbraw/zinc/95/42/57/1069954257.db2.gz AJRHDGUPOPYZBC-IAGOWNOFSA-N 2 2 423.583 -0.010 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000553393867 1069954247 /nfs/dbraw/zinc/95/42/47/1069954247.db2.gz AJRHDGUPOPYZBC-IAGOWNOFSA-N 2 2 423.583 -0.010 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000553393868 1069954733 /nfs/dbraw/zinc/95/47/33/1069954733.db2.gz AJRHDGUPOPYZBC-IRXDYDNUSA-N 2 2 423.583 -0.010 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000553393868 1069954722 /nfs/dbraw/zinc/95/47/22/1069954722.db2.gz AJRHDGUPOPYZBC-IRXDYDNUSA-N 2 2 423.583 -0.010 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000553393869 1069954378 /nfs/dbraw/zinc/95/43/78/1069954378.db2.gz AJRHDGUPOPYZBC-SJORKVTESA-N 2 2 423.583 -0.010 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000553393869 1069954365 /nfs/dbraw/zinc/95/43/65/1069954365.db2.gz AJRHDGUPOPYZBC-SJORKVTESA-N 2 2 423.583 -0.010 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000553397209 1069955284 /nfs/dbraw/zinc/95/52/84/1069955284.db2.gz NSAHSOGVBWSVQL-MSOLQXFVSA-N 2 2 418.542 -0.455 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000553397209 1069955278 /nfs/dbraw/zinc/95/52/78/1069955278.db2.gz NSAHSOGVBWSVQL-MSOLQXFVSA-N 2 2 418.542 -0.455 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000553397210 1069955241 /nfs/dbraw/zinc/95/52/41/1069955241.db2.gz NSAHSOGVBWSVQL-QZTJIDSGSA-N 2 2 418.542 -0.455 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000553397210 1069955233 /nfs/dbraw/zinc/95/52/33/1069955233.db2.gz NSAHSOGVBWSVQL-QZTJIDSGSA-N 2 2 418.542 -0.455 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000553397211 1069955517 /nfs/dbraw/zinc/95/55/17/1069955517.db2.gz NSAHSOGVBWSVQL-ROUUACIJSA-N 2 2 418.542 -0.455 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000553397211 1069955502 /nfs/dbraw/zinc/95/55/02/1069955502.db2.gz NSAHSOGVBWSVQL-ROUUACIJSA-N 2 2 418.542 -0.455 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000553397212 1069955649 /nfs/dbraw/zinc/95/56/49/1069955649.db2.gz NSAHSOGVBWSVQL-ZWKOTPCHSA-N 2 2 418.542 -0.455 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000553397212 1069955641 /nfs/dbraw/zinc/95/56/41/1069955641.db2.gz NSAHSOGVBWSVQL-ZWKOTPCHSA-N 2 2 418.542 -0.455 20 0 HBADLP CC(C)Nc1nc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)nc(NCCO)[nH+]1 ZINC000553416378 1069956970 /nfs/dbraw/zinc/95/69/70/1069956970.db2.gz HSLQEJJJOFZVAQ-KRWDZBQOSA-N 2 2 414.558 -0.016 20 0 HBADLP CC(C)Nc1nc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)nc(NCCO)[nH+]1 ZINC000553416379 1069957231 /nfs/dbraw/zinc/95/72/31/1069957231.db2.gz HSLQEJJJOFZVAQ-QGZVFWFLSA-N 2 2 414.558 -0.016 20 0 HBADLP CC(C)Nc1nc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc(NCCO)[nH+]1 ZINC000553494715 1069968443 /nfs/dbraw/zinc/96/84/43/1069968443.db2.gz METAPLGESQRLHR-UHFFFAOYSA-N 2 2 406.579 -0.206 20 0 HBADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000553703358 1069993122 /nfs/dbraw/zinc/99/31/22/1069993122.db2.gz QJSXZOMDBCATSM-UHFFFAOYSA-N 2 2 408.503 -0.075 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000553732615 1069994143 /nfs/dbraw/zinc/99/41/43/1069994143.db2.gz GYYUKFGICUPUHB-KRWDZBQOSA-N 2 2 411.547 -0.774 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000553732615 1069994137 /nfs/dbraw/zinc/99/41/37/1069994137.db2.gz GYYUKFGICUPUHB-KRWDZBQOSA-N 2 2 411.547 -0.774 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)CC1 ZINC000553732615 1069994126 /nfs/dbraw/zinc/99/41/26/1069994126.db2.gz GYYUKFGICUPUHB-KRWDZBQOSA-N 2 2 411.547 -0.774 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)CC1 ZINC000553732615 1069994113 /nfs/dbraw/zinc/99/41/13/1069994113.db2.gz GYYUKFGICUPUHB-KRWDZBQOSA-N 2 2 411.547 -0.774 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000553732618 1069994273 /nfs/dbraw/zinc/99/42/73/1069994273.db2.gz GYYUKFGICUPUHB-QGZVFWFLSA-N 2 2 411.547 -0.774 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000553732618 1069994264 /nfs/dbraw/zinc/99/42/64/1069994264.db2.gz GYYUKFGICUPUHB-QGZVFWFLSA-N 2 2 411.547 -0.774 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)CC1 ZINC000553732618 1069994256 /nfs/dbraw/zinc/99/42/56/1069994256.db2.gz GYYUKFGICUPUHB-QGZVFWFLSA-N 2 2 411.547 -0.774 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)CC1 ZINC000553732618 1069994244 /nfs/dbraw/zinc/99/42/44/1069994244.db2.gz GYYUKFGICUPUHB-QGZVFWFLSA-N 2 2 411.547 -0.774 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000553763111 1070000925 /nfs/dbraw/zinc/00/09/25/1070000925.db2.gz GKHDCCCSQPXHIB-KRWDZBQOSA-N 2 2 404.515 -0.067 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000553763112 1070000969 /nfs/dbraw/zinc/00/09/69/1070000969.db2.gz GKHDCCCSQPXHIB-QGZVFWFLSA-N 2 2 404.515 -0.067 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000553779521 1069999918 /nfs/dbraw/zinc/99/99/18/1069999918.db2.gz UVKUPZVUWRVCGV-QGZVFWFLSA-N 2 2 423.558 -0.774 20 0 HBADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000553782752 1070000232 /nfs/dbraw/zinc/00/02/32/1070000232.db2.gz NBBCUFFVUAAOQW-UHFFFAOYSA-N 2 2 411.547 -0.776 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000553814746 1070004954 /nfs/dbraw/zinc/00/49/54/1070004954.db2.gz PFMQULMQSPKKEV-KRWDZBQOSA-N 2 2 423.558 -0.774 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000553814748 1070004555 /nfs/dbraw/zinc/00/45/55/1070004555.db2.gz PFMQULMQSPKKEV-QGZVFWFLSA-N 2 2 423.558 -0.774 20 0 HBADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1C ZINC000553829665 1070006116 /nfs/dbraw/zinc/00/61/16/1070006116.db2.gz DHYVSFOWNCFWFS-UHFFFAOYSA-N 2 2 419.574 -0.022 20 0 HBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3c[nH+]c(N(C)C)n3C)C2)CC1 ZINC000553834627 1070004710 /nfs/dbraw/zinc/00/47/10/1070004710.db2.gz HJTFEGUPOUUPGI-INIZCTEOSA-N 2 2 405.547 -0.271 20 0 HBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3c[nH+]c(N(C)C)n3C)C2)CC1 ZINC000553834629 1070004902 /nfs/dbraw/zinc/00/49/02/1070004902.db2.gz HJTFEGUPOUUPGI-MRXNPFEDSA-N 2 2 405.547 -0.271 20 0 HBADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCc3c[nH+]c(N(C)C)n3C)CC2)c1 ZINC000553835359 1070004492 /nfs/dbraw/zinc/00/44/92/1070004492.db2.gz QZQMLKCREHAKCM-UHFFFAOYSA-N 2 2 401.471 -0.145 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000554042201 1070026436 /nfs/dbraw/zinc/02/64/36/1070026436.db2.gz OZFYZBDWXSIQCL-GOSISDBHSA-N 2 2 409.575 -0.253 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000554042201 1070026431 /nfs/dbraw/zinc/02/64/31/1070026431.db2.gz OZFYZBDWXSIQCL-GOSISDBHSA-N 2 2 409.575 -0.253 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000554042202 1070026130 /nfs/dbraw/zinc/02/61/30/1070026130.db2.gz OZFYZBDWXSIQCL-SFHVURJKSA-N 2 2 409.575 -0.253 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000554042202 1070026112 /nfs/dbraw/zinc/02/61/12/1070026112.db2.gz OZFYZBDWXSIQCL-SFHVURJKSA-N 2 2 409.575 -0.253 20 0 HBADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000554043231 1070026949 /nfs/dbraw/zinc/02/69/49/1070026949.db2.gz KHUHXEJSJXUDOS-AZUAARDMSA-N 2 2 416.570 -0.325 20 0 HBADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554043231 1070026934 /nfs/dbraw/zinc/02/69/34/1070026934.db2.gz KHUHXEJSJXUDOS-AZUAARDMSA-N 2 2 416.570 -0.325 20 0 HBADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000554043236 1070026870 /nfs/dbraw/zinc/02/68/70/1070026870.db2.gz KHUHXEJSJXUDOS-ICSRJNTNSA-N 2 2 416.570 -0.325 20 0 HBADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554043236 1070026851 /nfs/dbraw/zinc/02/68/51/1070026851.db2.gz KHUHXEJSJXUDOS-ICSRJNTNSA-N 2 2 416.570 -0.325 20 0 HBADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000554043238 1070027134 /nfs/dbraw/zinc/02/71/34/1070027134.db2.gz KHUHXEJSJXUDOS-QUCCMNQESA-N 2 2 416.570 -0.325 20 0 HBADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554043238 1070027122 /nfs/dbraw/zinc/02/71/22/1070027122.db2.gz KHUHXEJSJXUDOS-QUCCMNQESA-N 2 2 416.570 -0.325 20 0 HBADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000554043240 1070027333 /nfs/dbraw/zinc/02/73/33/1070027333.db2.gz KHUHXEJSJXUDOS-UYAOXDASSA-N 2 2 416.570 -0.325 20 0 HBADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554043240 1070027314 /nfs/dbraw/zinc/02/73/14/1070027314.db2.gz KHUHXEJSJXUDOS-UYAOXDASSA-N 2 2 416.570 -0.325 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000554123554 1070042759 /nfs/dbraw/zinc/04/27/59/1070042759.db2.gz MPFYADXWCKWGEX-UHFFFAOYSA-N 2 2 423.558 -0.774 20 0 HBADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000554181717 1070053943 /nfs/dbraw/zinc/05/39/43/1070053943.db2.gz INWPCIXWINHGTK-GOSISDBHSA-N 2 2 411.591 -0.271 20 0 HBADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000554181717 1070053927 /nfs/dbraw/zinc/05/39/27/1070053927.db2.gz INWPCIXWINHGTK-GOSISDBHSA-N 2 2 411.591 -0.271 20 0 HBADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000554181719 1070053848 /nfs/dbraw/zinc/05/38/48/1070053848.db2.gz INWPCIXWINHGTK-SFHVURJKSA-N 2 2 411.591 -0.271 20 0 HBADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000554181719 1070053835 /nfs/dbraw/zinc/05/38/35/1070053835.db2.gz INWPCIXWINHGTK-SFHVURJKSA-N 2 2 411.591 -0.271 20 0 HBADLP O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCC[NH+]1CCCCCC1 ZINC000554232469 1070061522 /nfs/dbraw/zinc/06/15/22/1070061522.db2.gz IEGDCMRVUXWZJG-GOSISDBHSA-N 2 2 423.558 -0.725 20 0 HBADLP O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCC[NH+]1CCCCCC1 ZINC000554232470 1070061546 /nfs/dbraw/zinc/06/15/46/1070061546.db2.gz IEGDCMRVUXWZJG-SFHVURJKSA-N 2 2 423.558 -0.725 20 0 HBADLP CSCC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000554287530 1070066713 /nfs/dbraw/zinc/06/67/13/1070066713.db2.gz CDKREUWDLHHBPB-CQSZACIVSA-N 2 2 401.558 -0.270 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000554324782 1070069924 /nfs/dbraw/zinc/06/99/24/1070069924.db2.gz IMROZLZUFKOVSD-HKUYNNGSSA-N 2 2 406.527 -0.225 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000554324782 1070069910 /nfs/dbraw/zinc/06/99/10/1070069910.db2.gz IMROZLZUFKOVSD-HKUYNNGSSA-N 2 2 406.527 -0.225 20 0 HBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000554324790 1070070308 /nfs/dbraw/zinc/07/03/08/1070070308.db2.gz IMROZLZUFKOVSD-IEBWSBKVSA-N 2 2 406.527 -0.225 20 0 HBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000554324790 1070070289 /nfs/dbraw/zinc/07/02/89/1070070289.db2.gz IMROZLZUFKOVSD-IEBWSBKVSA-N 2 2 406.527 -0.225 20 0 HBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000554324792 1070070113 /nfs/dbraw/zinc/07/01/13/1070070113.db2.gz IMROZLZUFKOVSD-MJGOQNOKSA-N 2 2 406.527 -0.225 20 0 HBADLP C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000554324792 1070070091 /nfs/dbraw/zinc/07/00/91/1070070091.db2.gz IMROZLZUFKOVSD-MJGOQNOKSA-N 2 2 406.527 -0.225 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000554324794 1070070427 /nfs/dbraw/zinc/07/04/27/1070070427.db2.gz IMROZLZUFKOVSD-PKOBYXMFSA-N 2 2 406.527 -0.225 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000554324794 1070070411 /nfs/dbraw/zinc/07/04/11/1070070411.db2.gz IMROZLZUFKOVSD-PKOBYXMFSA-N 2 2 406.527 -0.225 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000554333154 1070070788 /nfs/dbraw/zinc/07/07/88/1070070788.db2.gz FDUGNVWIIVTPQG-DFQSSKMNSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000554333154 1070070769 /nfs/dbraw/zinc/07/07/69/1070070769.db2.gz FDUGNVWIIVTPQG-DFQSSKMNSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000554333154 1070070749 /nfs/dbraw/zinc/07/07/49/1070070749.db2.gz FDUGNVWIIVTPQG-DFQSSKMNSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000554333154 1070070730 /nfs/dbraw/zinc/07/07/30/1070070730.db2.gz FDUGNVWIIVTPQG-DFQSSKMNSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000554333156 1070071492 /nfs/dbraw/zinc/07/14/92/1070071492.db2.gz FDUGNVWIIVTPQG-IHPCNDPISA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000554333156 1070071475 /nfs/dbraw/zinc/07/14/75/1070071475.db2.gz FDUGNVWIIVTPQG-IHPCNDPISA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000554333156 1070071459 /nfs/dbraw/zinc/07/14/59/1070071459.db2.gz FDUGNVWIIVTPQG-IHPCNDPISA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000554333156 1070071448 /nfs/dbraw/zinc/07/14/48/1070071448.db2.gz FDUGNVWIIVTPQG-IHPCNDPISA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000554333158 1070071295 /nfs/dbraw/zinc/07/12/95/1070071295.db2.gz FDUGNVWIIVTPQG-SXLOBPIMSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000554333158 1070071277 /nfs/dbraw/zinc/07/12/77/1070071277.db2.gz FDUGNVWIIVTPQG-SXLOBPIMSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000554333158 1070071260 /nfs/dbraw/zinc/07/12/60/1070071260.db2.gz FDUGNVWIIVTPQG-SXLOBPIMSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000554333158 1070071242 /nfs/dbraw/zinc/07/12/42/1070071242.db2.gz FDUGNVWIIVTPQG-SXLOBPIMSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000554333160 1070071166 /nfs/dbraw/zinc/07/11/66/1070071166.db2.gz FDUGNVWIIVTPQG-YSIASYRMSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000554333160 1070071143 /nfs/dbraw/zinc/07/11/43/1070071143.db2.gz FDUGNVWIIVTPQG-YSIASYRMSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000554333160 1070071121 /nfs/dbraw/zinc/07/11/21/1070071121.db2.gz FDUGNVWIIVTPQG-YSIASYRMSA-N 2 2 417.554 -0.246 20 0 HBADLP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000554333160 1070071103 /nfs/dbraw/zinc/07/11/03/1070071103.db2.gz FDUGNVWIIVTPQG-YSIASYRMSA-N 2 2 417.554 -0.246 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000554342944 1070073925 /nfs/dbraw/zinc/07/39/25/1070073925.db2.gz IBRGOYNFEAKRBJ-DLBZAZTESA-N 2 2 422.599 -0.485 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000554342944 1070073906 /nfs/dbraw/zinc/07/39/06/1070073906.db2.gz IBRGOYNFEAKRBJ-DLBZAZTESA-N 2 2 422.599 -0.485 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000554342946 1070073556 /nfs/dbraw/zinc/07/35/56/1070073556.db2.gz IBRGOYNFEAKRBJ-IAGOWNOFSA-N 2 2 422.599 -0.485 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000554342946 1070073537 /nfs/dbraw/zinc/07/35/37/1070073537.db2.gz IBRGOYNFEAKRBJ-IAGOWNOFSA-N 2 2 422.599 -0.485 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000554342948 1070073674 /nfs/dbraw/zinc/07/36/74/1070073674.db2.gz IBRGOYNFEAKRBJ-IRXDYDNUSA-N 2 2 422.599 -0.485 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000554342948 1070073662 /nfs/dbraw/zinc/07/36/62/1070073662.db2.gz IBRGOYNFEAKRBJ-IRXDYDNUSA-N 2 2 422.599 -0.485 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000554342950 1070074018 /nfs/dbraw/zinc/07/40/18/1070074018.db2.gz IBRGOYNFEAKRBJ-SJORKVTESA-N 2 2 422.599 -0.485 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000554342950 1070074001 /nfs/dbraw/zinc/07/40/01/1070074001.db2.gz IBRGOYNFEAKRBJ-SJORKVTESA-N 2 2 422.599 -0.485 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000554343414 1070076002 /nfs/dbraw/zinc/07/60/02/1070076002.db2.gz PDSPSKPCNPFCLZ-HNNXBMFYSA-N 2 2 423.480 -0.538 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000554343414 1070075983 /nfs/dbraw/zinc/07/59/83/1070075983.db2.gz PDSPSKPCNPFCLZ-HNNXBMFYSA-N 2 2 423.480 -0.538 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000554343420 1070075583 /nfs/dbraw/zinc/07/55/83/1070075583.db2.gz PDSPSKPCNPFCLZ-OAHLLOKOSA-N 2 2 423.480 -0.538 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000554343420 1070075566 /nfs/dbraw/zinc/07/55/66/1070075566.db2.gz PDSPSKPCNPFCLZ-OAHLLOKOSA-N 2 2 423.480 -0.538 20 0 HBADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000554344375 1070075815 /nfs/dbraw/zinc/07/58/15/1070075815.db2.gz NWBGFMKNYRRVIC-FQEVSTJZSA-N 2 2 416.570 -0.371 20 0 HBADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000554344375 1070075795 /nfs/dbraw/zinc/07/57/95/1070075795.db2.gz NWBGFMKNYRRVIC-FQEVSTJZSA-N 2 2 416.570 -0.371 20 0 HBADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000554344376 1070076171 /nfs/dbraw/zinc/07/61/71/1070076171.db2.gz NWBGFMKNYRRVIC-HXUWFJFHSA-N 2 2 416.570 -0.371 20 0 HBADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000554344376 1070076153 /nfs/dbraw/zinc/07/61/53/1070076153.db2.gz NWBGFMKNYRRVIC-HXUWFJFHSA-N 2 2 416.570 -0.371 20 0 HBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)C2)CC1 ZINC000554353778 1070072772 /nfs/dbraw/zinc/07/27/72/1070072772.db2.gz BRVZIJWHMZLFAC-AABGKKOBSA-N 2 2 421.586 -0.016 20 0 HBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)C2)CC1 ZINC000554353780 1070072969 /nfs/dbraw/zinc/07/29/69/1070072969.db2.gz BRVZIJWHMZLFAC-AQNXPRMDSA-N 2 2 421.586 -0.016 20 0 HBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)C2)CC1 ZINC000554353782 1070072692 /nfs/dbraw/zinc/07/26/92/1070072692.db2.gz BRVZIJWHMZLFAC-HSALFYBXSA-N 2 2 421.586 -0.016 20 0 HBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)C2)CC1 ZINC000554353784 1070073021 /nfs/dbraw/zinc/07/30/21/1070073021.db2.gz BRVZIJWHMZLFAC-VAMGGRTRSA-N 2 2 421.586 -0.016 20 0 HBADLP CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000554374575 1070078828 /nfs/dbraw/zinc/07/88/28/1070078828.db2.gz ZARJCGWDWLLSGV-GOSISDBHSA-N 2 2 403.593 -0.357 20 0 HBADLP O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000554437194 1070084627 /nfs/dbraw/zinc/08/46/27/1070084627.db2.gz HYCDDUZFERMXMJ-UHFFFAOYSA-N 2 2 409.575 -0.421 20 0 HBADLP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000554437194 1070084612 /nfs/dbraw/zinc/08/46/12/1070084612.db2.gz HYCDDUZFERMXMJ-UHFFFAOYSA-N 2 2 409.575 -0.421 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000554678387 1070105727 /nfs/dbraw/zinc/10/57/27/1070105727.db2.gz CLLWVSDMFMSPEK-KRWDZBQOSA-N 2 2 419.574 -0.011 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000554678387 1070105719 /nfs/dbraw/zinc/10/57/19/1070105719.db2.gz CLLWVSDMFMSPEK-KRWDZBQOSA-N 2 2 419.574 -0.011 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000554678388 1070105806 /nfs/dbraw/zinc/10/58/06/1070105806.db2.gz CLLWVSDMFMSPEK-QGZVFWFLSA-N 2 2 419.574 -0.011 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000554678388 1070105797 /nfs/dbraw/zinc/10/57/97/1070105797.db2.gz CLLWVSDMFMSPEK-QGZVFWFLSA-N 2 2 419.574 -0.011 20 0 HBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@H+]1C1CC1 ZINC000554802753 1070123028 /nfs/dbraw/zinc/12/30/28/1070123028.db2.gz QANKHBGGNJCMNK-KBPBESRZSA-N 2 2 412.498 -0.247 20 0 HBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000554802753 1070123021 /nfs/dbraw/zinc/12/30/21/1070123021.db2.gz QANKHBGGNJCMNK-KBPBESRZSA-N 2 2 412.498 -0.247 20 0 HBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@H+]1C1CC1 ZINC000554802754 1070122908 /nfs/dbraw/zinc/12/29/08/1070122908.db2.gz QANKHBGGNJCMNK-KGLIPLIRSA-N 2 2 412.498 -0.247 20 0 HBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000554802754 1070122906 /nfs/dbraw/zinc/12/29/06/1070122906.db2.gz QANKHBGGNJCMNK-KGLIPLIRSA-N 2 2 412.498 -0.247 20 0 HBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@H+]1C1CC1 ZINC000554802755 1070123188 /nfs/dbraw/zinc/12/31/88/1070123188.db2.gz QANKHBGGNJCMNK-UONOGXRCSA-N 2 2 412.498 -0.247 20 0 HBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000554802755 1070123183 /nfs/dbraw/zinc/12/31/83/1070123183.db2.gz QANKHBGGNJCMNK-UONOGXRCSA-N 2 2 412.498 -0.247 20 0 HBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@H+]1C1CC1 ZINC000554802756 1070123248 /nfs/dbraw/zinc/12/32/48/1070123248.db2.gz QANKHBGGNJCMNK-ZIAGYGMSSA-N 2 2 412.498 -0.247 20 0 HBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[N@@H+]1C1CC1 ZINC000554802756 1070123242 /nfs/dbraw/zinc/12/32/42/1070123242.db2.gz QANKHBGGNJCMNK-ZIAGYGMSSA-N 2 2 412.498 -0.247 20 0 HBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000554803498 1070123943 /nfs/dbraw/zinc/12/39/43/1070123943.db2.gz MYUIWGHJADKOQW-DOTOQJQBSA-N 2 2 405.543 -0.260 20 0 HBADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000554803498 1070123937 /nfs/dbraw/zinc/12/39/37/1070123937.db2.gz MYUIWGHJADKOQW-DOTOQJQBSA-N 2 2 405.543 -0.260 20 0 HBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000554803499 1070124118 /nfs/dbraw/zinc/12/41/18/1070124118.db2.gz MYUIWGHJADKOQW-NVXWUHKLSA-N 2 2 405.543 -0.260 20 0 HBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000554803499 1070124112 /nfs/dbraw/zinc/12/41/12/1070124112.db2.gz MYUIWGHJADKOQW-NVXWUHKLSA-N 2 2 405.543 -0.260 20 0 HBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000554803500 1070124063 /nfs/dbraw/zinc/12/40/63/1070124063.db2.gz MYUIWGHJADKOQW-RDJZCZTQSA-N 2 2 405.543 -0.260 20 0 HBADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000554803500 1070124058 /nfs/dbraw/zinc/12/40/58/1070124058.db2.gz MYUIWGHJADKOQW-RDJZCZTQSA-N 2 2 405.543 -0.260 20 0 HBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000554803501 1070123975 /nfs/dbraw/zinc/12/39/75/1070123975.db2.gz MYUIWGHJADKOQW-WBVHZDCISA-N 2 2 405.543 -0.260 20 0 HBADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000554803501 1070123970 /nfs/dbraw/zinc/12/39/70/1070123970.db2.gz MYUIWGHJADKOQW-WBVHZDCISA-N 2 2 405.543 -0.260 20 0 HBADLP CC(C)[N@@H+](CCOCCO)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000555074808 1070165321 /nfs/dbraw/zinc/16/53/21/1070165321.db2.gz FFKBCWYMDKGCCJ-UHFFFAOYSA-N 2 2 405.503 -0.269 20 0 HBADLP CC(C)[N@H+](CCOCCO)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000555074808 1070165309 /nfs/dbraw/zinc/16/53/09/1070165309.db2.gz FFKBCWYMDKGCCJ-UHFFFAOYSA-N 2 2 405.503 -0.269 20 0 HBADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000555167511 1070175118 /nfs/dbraw/zinc/17/51/18/1070175118.db2.gz FIWXLQGRQSRPCI-INIZCTEOSA-N 2 2 404.581 -0.466 20 0 HBADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000555167511 1070175113 /nfs/dbraw/zinc/17/51/13/1070175113.db2.gz FIWXLQGRQSRPCI-INIZCTEOSA-N 2 2 404.581 -0.466 20 0 HBADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555634327 1070221524 /nfs/dbraw/zinc/22/15/24/1070221524.db2.gz XSMAUXNMBPHZDN-UHFFFAOYSA-N 2 2 400.487 -0.492 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC(C)(C)N3CCOCC3)CC2)CC1 ZINC000555669317 1070227301 /nfs/dbraw/zinc/22/73/01/1070227301.db2.gz NZURNCACPCJOIB-UHFFFAOYSA-N 2 2 409.575 -0.112 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000555676836 1070226362 /nfs/dbraw/zinc/22/63/62/1070226362.db2.gz KMVFXTAVOINWFA-MOPGFXCFSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000555676836 1070226358 /nfs/dbraw/zinc/22/63/58/1070226358.db2.gz KMVFXTAVOINWFA-MOPGFXCFSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000555676836 1070226354 /nfs/dbraw/zinc/22/63/54/1070226354.db2.gz KMVFXTAVOINWFA-MOPGFXCFSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000555676836 1070226350 /nfs/dbraw/zinc/22/63/50/1070226350.db2.gz KMVFXTAVOINWFA-MOPGFXCFSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000555676837 1070226688 /nfs/dbraw/zinc/22/66/88/1070226688.db2.gz KMVFXTAVOINWFA-OALUTQOASA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000555676837 1070226677 /nfs/dbraw/zinc/22/66/77/1070226677.db2.gz KMVFXTAVOINWFA-OALUTQOASA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000555676837 1070226670 /nfs/dbraw/zinc/22/66/70/1070226670.db2.gz KMVFXTAVOINWFA-OALUTQOASA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000555676837 1070226659 /nfs/dbraw/zinc/22/66/59/1070226659.db2.gz KMVFXTAVOINWFA-OALUTQOASA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000555676838 1070226459 /nfs/dbraw/zinc/22/64/59/1070226459.db2.gz KMVFXTAVOINWFA-RBUKOAKNSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000555676838 1070226450 /nfs/dbraw/zinc/22/64/50/1070226450.db2.gz KMVFXTAVOINWFA-RBUKOAKNSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000555676838 1070226446 /nfs/dbraw/zinc/22/64/46/1070226446.db2.gz KMVFXTAVOINWFA-RBUKOAKNSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000555676838 1070226432 /nfs/dbraw/zinc/22/64/32/1070226432.db2.gz KMVFXTAVOINWFA-RBUKOAKNSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000555676839 1070226786 /nfs/dbraw/zinc/22/67/86/1070226786.db2.gz KMVFXTAVOINWFA-RTBURBONSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000555676839 1070226772 /nfs/dbraw/zinc/22/67/72/1070226772.db2.gz KMVFXTAVOINWFA-RTBURBONSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000555676839 1070226759 /nfs/dbraw/zinc/22/67/59/1070226759.db2.gz KMVFXTAVOINWFA-RTBURBONSA-N 2 2 403.527 -0.634 20 0 HBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000555676839 1070226750 /nfs/dbraw/zinc/22/67/50/1070226750.db2.gz KMVFXTAVOINWFA-RTBURBONSA-N 2 2 403.527 -0.634 20 0 HBADLP COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000555695673 1070229392 /nfs/dbraw/zinc/22/93/92/1070229392.db2.gz MAHZYMOOVJHROR-HKUYNNGSSA-N 2 2 422.526 -0.434 20 0 HBADLP COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000555695676 1070229035 /nfs/dbraw/zinc/22/90/35/1070229035.db2.gz MAHZYMOOVJHROR-IEBWSBKVSA-N 2 2 422.526 -0.434 20 0 HBADLP COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000555695677 1070229289 /nfs/dbraw/zinc/22/92/89/1070229289.db2.gz MAHZYMOOVJHROR-MJGOQNOKSA-N 2 2 422.526 -0.434 20 0 HBADLP COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000555695680 1070229256 /nfs/dbraw/zinc/22/92/56/1070229256.db2.gz MAHZYMOOVJHROR-PKOBYXMFSA-N 2 2 422.526 -0.434 20 0 HBADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000555722597 1070232113 /nfs/dbraw/zinc/23/21/13/1070232113.db2.gz PHLKYYRSOKTYRL-UHFFFAOYSA-N 2 2 404.515 -0.160 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000555722623 1070232344 /nfs/dbraw/zinc/23/23/44/1070232344.db2.gz PWXZFUSLHWCTMK-UHFFFAOYSA-N 2 2 404.515 -0.208 20 0 HBADLP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000555722815 1070232845 /nfs/dbraw/zinc/23/28/45/1070232845.db2.gz QBUIGWNLLLLEIX-UHFFFAOYSA-N 2 2 406.531 -0.058 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000555741094 1070236230 /nfs/dbraw/zinc/23/62/30/1070236230.db2.gz RKALMDDQOIWGFZ-IBGZPJMESA-N 2 2 404.511 -0.028 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000555741094 1070236217 /nfs/dbraw/zinc/23/62/17/1070236217.db2.gz RKALMDDQOIWGFZ-IBGZPJMESA-N 2 2 404.511 -0.028 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000555741095 1070236107 /nfs/dbraw/zinc/23/61/07/1070236107.db2.gz RKALMDDQOIWGFZ-LJQANCHMSA-N 2 2 404.511 -0.028 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000555741095 1070236103 /nfs/dbraw/zinc/23/61/03/1070236103.db2.gz RKALMDDQOIWGFZ-LJQANCHMSA-N 2 2 404.511 -0.028 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCOCC1 ZINC000555854720 1070244376 /nfs/dbraw/zinc/24/43/76/1070244376.db2.gz BPTQHLQRGFNIRH-FQEVSTJZSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCOCC1 ZINC000555854721 1070244521 /nfs/dbraw/zinc/24/45/21/1070244521.db2.gz BPTQHLQRGFNIRH-HXUWFJFHSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)C[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000555907791 1070255260 /nfs/dbraw/zinc/25/52/60/1070255260.db2.gz CWWKHJXUOQNPBH-GOSISDBHSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)C[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000555907791 1070255249 /nfs/dbraw/zinc/25/52/49/1070255249.db2.gz CWWKHJXUOQNPBH-GOSISDBHSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)C[C@@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000555907792 1070255382 /nfs/dbraw/zinc/25/53/82/1070255382.db2.gz CWWKHJXUOQNPBH-SFHVURJKSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)C[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000555907792 1070255367 /nfs/dbraw/zinc/25/53/67/1070255367.db2.gz CWWKHJXUOQNPBH-SFHVURJKSA-N 2 2 411.591 -0.008 20 0 HBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555915639 1070258500 /nfs/dbraw/zinc/25/85/00/1070258500.db2.gz NTZBCJRWPJBIKY-GOSISDBHSA-N 2 2 417.558 -0.097 20 0 HBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555915639 1070258491 /nfs/dbraw/zinc/25/84/91/1070258491.db2.gz NTZBCJRWPJBIKY-GOSISDBHSA-N 2 2 417.558 -0.097 20 0 HBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555915640 1070258834 /nfs/dbraw/zinc/25/88/34/1070258834.db2.gz NTZBCJRWPJBIKY-SFHVURJKSA-N 2 2 417.558 -0.097 20 0 HBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555915640 1070258823 /nfs/dbraw/zinc/25/88/23/1070258823.db2.gz NTZBCJRWPJBIKY-SFHVURJKSA-N 2 2 417.558 -0.097 20 0 HBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000555916510 1070258949 /nfs/dbraw/zinc/25/89/49/1070258949.db2.gz BLHLJNCEYRDIEE-UHFFFAOYSA-N 2 2 414.514 -0.150 20 0 HBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000555917702 1070259753 /nfs/dbraw/zinc/25/97/53/1070259753.db2.gz YJNZHBHOXVIUDA-UHFFFAOYSA-N 2 2 401.515 -0.589 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000555920937 1070256946 /nfs/dbraw/zinc/25/69/46/1070256946.db2.gz HYGFGHZNZDGTPN-IBGZPJMESA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000555920940 1070256919 /nfs/dbraw/zinc/25/69/19/1070256919.db2.gz HYGFGHZNZDGTPN-LJQANCHMSA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000555923042 1070258219 /nfs/dbraw/zinc/25/82/19/1070258219.db2.gz WQVYGCGUGAZXPO-UXHICEINSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000555923042 1070258211 /nfs/dbraw/zinc/25/82/11/1070258211.db2.gz WQVYGCGUGAZXPO-UXHICEINSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000555923043 1070257829 /nfs/dbraw/zinc/25/78/29/1070257829.db2.gz WQVYGCGUGAZXPO-WOJBJXKFSA-N 2 2 423.602 -0.055 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000555923043 1070257817 /nfs/dbraw/zinc/25/78/17/1070257817.db2.gz WQVYGCGUGAZXPO-WOJBJXKFSA-N 2 2 423.602 -0.055 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000556005075 1070275065 /nfs/dbraw/zinc/27/50/65/1070275065.db2.gz DSGOIMPKRLNTDG-IBGZPJMESA-N 2 2 404.511 -0.028 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000556005075 1070275045 /nfs/dbraw/zinc/27/50/45/1070275045.db2.gz DSGOIMPKRLNTDG-IBGZPJMESA-N 2 2 404.511 -0.028 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000556005076 1070274902 /nfs/dbraw/zinc/27/49/02/1070274902.db2.gz DSGOIMPKRLNTDG-LJQANCHMSA-N 2 2 404.511 -0.028 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000556005076 1070274889 /nfs/dbraw/zinc/27/48/89/1070274889.db2.gz DSGOIMPKRLNTDG-LJQANCHMSA-N 2 2 404.511 -0.028 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000556015754 1070276267 /nfs/dbraw/zinc/27/62/67/1070276267.db2.gz FNLFJYBCJITRHF-IBGZPJMESA-N 2 2 410.607 -0.483 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000556015755 1070276474 /nfs/dbraw/zinc/27/64/74/1070276474.db2.gz FNLFJYBCJITRHF-LJQANCHMSA-N 2 2 410.607 -0.483 20 0 HBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000556069710 1071863030 /nfs/dbraw/zinc/86/30/30/1071863030.db2.gz DNIOEYWBFILZGK-KRWDZBQOSA-N 2 2 407.490 -0.175 20 0 HBADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000556069721 1071863573 /nfs/dbraw/zinc/86/35/73/1071863573.db2.gz DNIOEYWBFILZGK-QGZVFWFLSA-N 2 2 407.490 -0.175 20 0 HBADLP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000556072270 1071864164 /nfs/dbraw/zinc/86/41/64/1071864164.db2.gz JEJGZMVEVHQHNQ-UHFFFAOYSA-N 2 2 414.514 -0.140 20 0 HBADLP CC1CCC([NH+]2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000556095562 1071872580 /nfs/dbraw/zinc/87/25/80/1071872580.db2.gz JJIIFCHQQXAMSJ-UHFFFAOYSA-N 2 2 407.559 -0.010 20 0 HBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000556095801 1071871828 /nfs/dbraw/zinc/87/18/28/1071871828.db2.gz LMMNDHKSKGFHOV-KRWDZBQOSA-N 2 2 407.490 -0.175 20 0 HBADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000556095802 1071871763 /nfs/dbraw/zinc/87/17/63/1071871763.db2.gz LMMNDHKSKGFHOV-QGZVFWFLSA-N 2 2 407.490 -0.175 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000556102862 1071876333 /nfs/dbraw/zinc/87/63/33/1071876333.db2.gz WUFWRLHXBPHYTD-KRWDZBQOSA-N 2 2 415.538 -0.170 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000556102862 1071876326 /nfs/dbraw/zinc/87/63/26/1071876326.db2.gz WUFWRLHXBPHYTD-KRWDZBQOSA-N 2 2 415.538 -0.170 20 0 HBADLP C[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000556102867 1071876203 /nfs/dbraw/zinc/87/62/03/1071876203.db2.gz WUFWRLHXBPHYTD-QGZVFWFLSA-N 2 2 415.538 -0.170 20 0 HBADLP C[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000556102867 1071876194 /nfs/dbraw/zinc/87/61/94/1071876194.db2.gz WUFWRLHXBPHYTD-QGZVFWFLSA-N 2 2 415.538 -0.170 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000556124428 1071880201 /nfs/dbraw/zinc/88/02/01/1071880201.db2.gz GUOAQMJODPOVJG-FQEVSTJZSA-N 2 2 418.538 -0.298 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000556124428 1071880195 /nfs/dbraw/zinc/88/01/95/1071880195.db2.gz GUOAQMJODPOVJG-FQEVSTJZSA-N 2 2 418.538 -0.298 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000556124430 1071880102 /nfs/dbraw/zinc/88/01/02/1071880102.db2.gz GUOAQMJODPOVJG-HXUWFJFHSA-N 2 2 418.538 -0.298 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000556124430 1071880091 /nfs/dbraw/zinc/88/00/91/1071880091.db2.gz GUOAQMJODPOVJG-HXUWFJFHSA-N 2 2 418.538 -0.298 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000556168278 1071888170 /nfs/dbraw/zinc/88/81/70/1071888170.db2.gz KMGZKGHGNOQEFC-GOSISDBHSA-N 2 2 411.591 -0.176 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000556168278 1071888168 /nfs/dbraw/zinc/88/81/68/1071888168.db2.gz KMGZKGHGNOQEFC-GOSISDBHSA-N 2 2 411.591 -0.176 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000556168278 1071888166 /nfs/dbraw/zinc/88/81/66/1071888166.db2.gz KMGZKGHGNOQEFC-GOSISDBHSA-N 2 2 411.591 -0.176 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000556168278 1071888163 /nfs/dbraw/zinc/88/81/63/1071888163.db2.gz KMGZKGHGNOQEFC-GOSISDBHSA-N 2 2 411.591 -0.176 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000556168279 1071888026 /nfs/dbraw/zinc/88/80/26/1071888026.db2.gz KMGZKGHGNOQEFC-SFHVURJKSA-N 2 2 411.591 -0.176 20 0 HBADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000556168279 1071888015 /nfs/dbraw/zinc/88/80/15/1071888015.db2.gz KMGZKGHGNOQEFC-SFHVURJKSA-N 2 2 411.591 -0.176 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000556168279 1071888007 /nfs/dbraw/zinc/88/80/07/1071888007.db2.gz KMGZKGHGNOQEFC-SFHVURJKSA-N 2 2 411.591 -0.176 20 0 HBADLP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000556168279 1071887993 /nfs/dbraw/zinc/88/79/93/1071887993.db2.gz KMGZKGHGNOQEFC-SFHVURJKSA-N 2 2 411.591 -0.176 20 0 HBADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCCCC[NH+]3CCOCC3)ccn2)CC1 ZINC000556171645 1071889463 /nfs/dbraw/zinc/88/94/63/1071889463.db2.gz RCAFYOCVBADFTJ-UHFFFAOYSA-N 2 2 418.542 -0.322 20 0 HBADLP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC[N@H+]1CCOC ZINC000556186051 1071891249 /nfs/dbraw/zinc/89/12/49/1071891249.db2.gz QYGMBPPJVDXGST-KRWDZBQOSA-N 2 2 411.547 -0.728 20 0 HBADLP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC[N@@H+]1CCOC ZINC000556186051 1071891243 /nfs/dbraw/zinc/89/12/43/1071891243.db2.gz QYGMBPPJVDXGST-KRWDZBQOSA-N 2 2 411.547 -0.728 20 0 HBADLP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC[N@H+]1CCOC ZINC000556186052 1071891529 /nfs/dbraw/zinc/89/15/29/1071891529.db2.gz QYGMBPPJVDXGST-QGZVFWFLSA-N 2 2 411.547 -0.728 20 0 HBADLP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC[N@@H+]1CCOC ZINC000556186052 1071891523 /nfs/dbraw/zinc/89/15/23/1071891523.db2.gz QYGMBPPJVDXGST-QGZVFWFLSA-N 2 2 411.547 -0.728 20 0 HBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000556186725 1071891618 /nfs/dbraw/zinc/89/16/18/1071891618.db2.gz JMYWQNHSDQWLIV-UHFFFAOYSA-N 2 2 423.558 -0.584 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000556186732 1071891576 /nfs/dbraw/zinc/89/15/76/1071891576.db2.gz JSRVIXSEBCZTFC-JFIYKMOQSA-N 2 2 423.558 -0.587 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556186733 1071891487 /nfs/dbraw/zinc/89/14/87/1071891487.db2.gz JSRVIXSEBCZTFC-JZXOWHBKSA-N 2 2 423.558 -0.587 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556186733 1071891475 /nfs/dbraw/zinc/89/14/75/1071891475.db2.gz JSRVIXSEBCZTFC-JZXOWHBKSA-N 2 2 423.558 -0.587 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556186734 1071891332 /nfs/dbraw/zinc/89/13/32/1071891332.db2.gz JSRVIXSEBCZTFC-SOLBZPMBSA-N 2 2 423.558 -0.587 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556186734 1071891319 /nfs/dbraw/zinc/89/13/19/1071891319.db2.gz JSRVIXSEBCZTFC-SOLBZPMBSA-N 2 2 423.558 -0.587 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000556186735 1071891996 /nfs/dbraw/zinc/89/19/96/1071891996.db2.gz JSRVIXSEBCZTFC-XYJFISCASA-N 2 2 423.558 -0.587 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000556187543 1071892894 /nfs/dbraw/zinc/89/28/94/1071892894.db2.gz FVKHAQNRFPPLSA-UHFFFAOYSA-N 2 2 421.567 -0.239 20 0 HBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556269208 1071905690 /nfs/dbraw/zinc/90/56/90/1071905690.db2.gz MBKVAFXGMTWBIL-UHFFFAOYSA-N 2 2 419.592 -0.741 20 0 HBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000556269208 1071905678 /nfs/dbraw/zinc/90/56/78/1071905678.db2.gz MBKVAFXGMTWBIL-UHFFFAOYSA-N 2 2 419.592 -0.741 20 0 HBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556272473 1071906998 /nfs/dbraw/zinc/90/69/98/1071906998.db2.gz DWPGTVXENGSQEQ-UHFFFAOYSA-N 2 2 416.526 -0.355 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000556356321 1071917181 /nfs/dbraw/zinc/91/71/81/1071917181.db2.gz YWZVJIQFGHDXNR-IBGZPJMESA-N 2 2 423.602 -0.053 20 0 HBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000556356321 1071917175 /nfs/dbraw/zinc/91/71/75/1071917175.db2.gz YWZVJIQFGHDXNR-IBGZPJMESA-N 2 2 423.602 -0.053 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000556356323 1071917152 /nfs/dbraw/zinc/91/71/52/1071917152.db2.gz YWZVJIQFGHDXNR-LJQANCHMSA-N 2 2 423.602 -0.053 20 0 HBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000556356323 1071917145 /nfs/dbraw/zinc/91/71/45/1071917145.db2.gz YWZVJIQFGHDXNR-LJQANCHMSA-N 2 2 423.602 -0.053 20 0 HBADLP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000556357078 1071917015 /nfs/dbraw/zinc/91/70/15/1071917015.db2.gz ZROOCDYPPTXMNQ-GOSISDBHSA-N 2 2 411.591 -0.197 20 0 HBADLP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000556357079 1071917195 /nfs/dbraw/zinc/91/71/95/1071917195.db2.gz ZROOCDYPPTXMNQ-SFHVURJKSA-N 2 2 411.591 -0.197 20 0 HBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000556368274 1071920236 /nfs/dbraw/zinc/92/02/36/1071920236.db2.gz KPWYDZLMFYBYMG-PMACEKPBSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000556368281 1071920116 /nfs/dbraw/zinc/92/01/16/1071920116.db2.gz KPWYDZLMFYBYMG-UXHICEINSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000556368286 1071920163 /nfs/dbraw/zinc/92/01/63/1071920163.db2.gz KPWYDZLMFYBYMG-VQTJNVASSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)C2)CC1 ZINC000556368288 1071920173 /nfs/dbraw/zinc/92/01/73/1071920173.db2.gz KPWYDZLMFYBYMG-WOJBJXKFSA-N 2 2 422.618 -0.387 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000556369357 1071922075 /nfs/dbraw/zinc/92/20/75/1071922075.db2.gz JAJFKGQVEWSKFT-PMACEKPBSA-N 2 2 423.602 -0.053 20 0 HBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000556369357 1071922066 /nfs/dbraw/zinc/92/20/66/1071922066.db2.gz JAJFKGQVEWSKFT-PMACEKPBSA-N 2 2 423.602 -0.053 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000556369358 1071922560 /nfs/dbraw/zinc/92/25/60/1071922560.db2.gz JAJFKGQVEWSKFT-UXHICEINSA-N 2 2 423.602 -0.053 20 0 HBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000556369358 1071922549 /nfs/dbraw/zinc/92/25/49/1071922549.db2.gz JAJFKGQVEWSKFT-UXHICEINSA-N 2 2 423.602 -0.053 20 0 HBADLP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C2)C1 ZINC000556491303 1071942722 /nfs/dbraw/zinc/94/27/22/1071942722.db2.gz YNDMHPPPBHVGEV-NRFANRHFSA-N 2 2 414.510 -0.038 20 0 HBADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C2)C1 ZINC000556491303 1071942710 /nfs/dbraw/zinc/94/27/10/1071942710.db2.gz YNDMHPPPBHVGEV-NRFANRHFSA-N 2 2 414.510 -0.038 20 0 HBADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C2)C1 ZINC000556491304 1071942752 /nfs/dbraw/zinc/94/27/52/1071942752.db2.gz YNDMHPPPBHVGEV-OAQYLSRUSA-N 2 2 414.510 -0.038 20 0 HBADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C2)C1 ZINC000556491304 1071942744 /nfs/dbraw/zinc/94/27/44/1071942744.db2.gz YNDMHPPPBHVGEV-OAQYLSRUSA-N 2 2 414.510 -0.038 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000556642945 1071975732 /nfs/dbraw/zinc/97/57/32/1071975732.db2.gz CIHMYLNZNOSYKT-MOPGFXCFSA-N 2 2 406.527 -0.573 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000556642947 1071975748 /nfs/dbraw/zinc/97/57/48/1071975748.db2.gz CIHMYLNZNOSYKT-OALUTQOASA-N 2 2 406.527 -0.573 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000556642948 1071975626 /nfs/dbraw/zinc/97/56/26/1071975626.db2.gz CIHMYLNZNOSYKT-RBUKOAKNSA-N 2 2 406.527 -0.573 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000556642950 1071975829 /nfs/dbraw/zinc/97/58/29/1071975829.db2.gz CIHMYLNZNOSYKT-RTBURBONSA-N 2 2 406.527 -0.573 20 0 HBADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000557001841 1072024176 /nfs/dbraw/zinc/02/41/76/1072024176.db2.gz ZHHPDADWJMJTFR-KRWDZBQOSA-N 2 2 405.543 -0.258 20 0 HBADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000557001841 1072024164 /nfs/dbraw/zinc/02/41/64/1072024164.db2.gz ZHHPDADWJMJTFR-KRWDZBQOSA-N 2 2 405.543 -0.258 20 0 HBADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000557001842 1072024714 /nfs/dbraw/zinc/02/47/14/1072024714.db2.gz ZHHPDADWJMJTFR-QGZVFWFLSA-N 2 2 405.543 -0.258 20 0 HBADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000557001842 1072024707 /nfs/dbraw/zinc/02/47/07/1072024707.db2.gz ZHHPDADWJMJTFR-QGZVFWFLSA-N 2 2 405.543 -0.258 20 0 HBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000557016205 1072027310 /nfs/dbraw/zinc/02/73/10/1072027310.db2.gz YVBWZNXEEPLLAU-INIZCTEOSA-N 2 2 419.530 -0.582 20 0 HBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000557016205 1072027300 /nfs/dbraw/zinc/02/73/00/1072027300.db2.gz YVBWZNXEEPLLAU-INIZCTEOSA-N 2 2 419.530 -0.582 20 0 HBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000557016206 1072027245 /nfs/dbraw/zinc/02/72/45/1072027245.db2.gz YVBWZNXEEPLLAU-MRXNPFEDSA-N 2 2 419.530 -0.582 20 0 HBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000557016206 1072027240 /nfs/dbraw/zinc/02/72/40/1072027240.db2.gz YVBWZNXEEPLLAU-MRXNPFEDSA-N 2 2 419.530 -0.582 20 0 HBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccco1 ZINC000559370964 1068583984 /nfs/dbraw/zinc/58/39/84/1068583984.db2.gz HPOPLDZWSOQXDC-HOTGVXAUSA-N 2 2 405.499 -0.237 20 0 HBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccco1 ZINC000559370964 1068583974 /nfs/dbraw/zinc/58/39/74/1068583974.db2.gz HPOPLDZWSOQXDC-HOTGVXAUSA-N 2 2 405.499 -0.237 20 0 HBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000559611011 1068667180 /nfs/dbraw/zinc/66/71/80/1068667180.db2.gz CKURWFBKMNCZQN-PMACEKPBSA-N 2 2 422.618 -0.387 20 0 HBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)C2)CC1 ZINC000559611011 1068667176 /nfs/dbraw/zinc/66/71/76/1068667176.db2.gz CKURWFBKMNCZQN-PMACEKPBSA-N 2 2 422.618 -0.387 20 0 HBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000559611012 1068667113 /nfs/dbraw/zinc/66/71/13/1068667113.db2.gz CKURWFBKMNCZQN-UXHICEINSA-N 2 2 422.618 -0.387 20 0 HBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)C2)CC1 ZINC000559611012 1068667087 /nfs/dbraw/zinc/66/70/87/1068667087.db2.gz CKURWFBKMNCZQN-UXHICEINSA-N 2 2 422.618 -0.387 20 0 HBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000559611013 1068667262 /nfs/dbraw/zinc/66/72/62/1068667262.db2.gz CKURWFBKMNCZQN-VQTJNVASSA-N 2 2 422.618 -0.387 20 0 HBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)C2)CC1 ZINC000559611013 1068667254 /nfs/dbraw/zinc/66/72/54/1068667254.db2.gz CKURWFBKMNCZQN-VQTJNVASSA-N 2 2 422.618 -0.387 20 0 HBADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000560011296 1068690725 /nfs/dbraw/zinc/69/07/25/1068690725.db2.gz HLIURMOJUZOIOH-MOPGFXCFSA-N 2 2 409.575 -0.443 20 0 HBADLP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000560308607 1068707631 /nfs/dbraw/zinc/70/76/31/1068707631.db2.gz YONOSAFXKSUOMH-RBUKOAKNSA-N 2 2 406.527 -0.135 20 0 HBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000561759580 1068794453 /nfs/dbraw/zinc/79/44/53/1068794453.db2.gz UPYAQFCTBJXEFK-QZTJIDSGSA-N 2 2 423.558 -0.585 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)CC1 ZINC000563554172 1069395274 /nfs/dbraw/zinc/39/52/74/1069395274.db2.gz TWVFTEDLEUGHAZ-UHFFFAOYSA-N 2 2 416.526 -0.398 20 0 HBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000563558382 1068758109 /nfs/dbraw/zinc/75/81/09/1068758109.db2.gz YCRRIIDQSQOCQF-GOSISDBHSA-N 2 2 423.558 -0.774 20 0 HBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000563558382 1068758097 /nfs/dbraw/zinc/75/80/97/1068758097.db2.gz YCRRIIDQSQOCQF-GOSISDBHSA-N 2 2 423.558 -0.774 20 0 HBADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000564343531 1072074775 /nfs/dbraw/zinc/07/47/75/1072074775.db2.gz PQSOVGFXHNNPIK-KRWDZBQOSA-N 2 2 409.575 -0.160 20 0 HBADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000564343531 1072074766 /nfs/dbraw/zinc/07/47/66/1072074766.db2.gz PQSOVGFXHNNPIK-KRWDZBQOSA-N 2 2 409.575 -0.160 20 0 HBADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000564490689 1068701538 /nfs/dbraw/zinc/70/15/38/1068701538.db2.gz VEYGQIZIKATEIF-UHFFFAOYSA-N 2 2 402.503 -0.140 20 0 HBADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000564490689 1068701526 /nfs/dbraw/zinc/70/15/26/1068701526.db2.gz VEYGQIZIKATEIF-UHFFFAOYSA-N 2 2 402.503 -0.140 20 0 HBADLP COCC[C@]1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCOC1 ZINC000570273734 1068956479 /nfs/dbraw/zinc/95/64/79/1068956479.db2.gz SLBXDCVNKRPPNZ-IBGZPJMESA-N 2 2 403.487 -0.203 20 0 HBADLP COCC[C@@]1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCOC1 ZINC000570273741 1068956730 /nfs/dbraw/zinc/95/67/30/1068956730.db2.gz SLBXDCVNKRPPNZ-LJQANCHMSA-N 2 2 403.487 -0.203 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000570422268 1068963885 /nfs/dbraw/zinc/96/38/85/1068963885.db2.gz OCMAMWSHBRMYCZ-AWEZNQCLSA-N 2 2 421.464 -0.250 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000570422268 1068963875 /nfs/dbraw/zinc/96/38/75/1068963875.db2.gz OCMAMWSHBRMYCZ-AWEZNQCLSA-N 2 2 421.464 -0.250 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000570422269 1070604946 /nfs/dbraw/zinc/60/49/46/1070604946.db2.gz OCMAMWSHBRMYCZ-CQSZACIVSA-N 2 2 421.464 -0.250 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000570422269 1070604937 /nfs/dbraw/zinc/60/49/37/1070604937.db2.gz OCMAMWSHBRMYCZ-CQSZACIVSA-N 2 2 421.464 -0.250 20 0 HBADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000570910184 1070704858 /nfs/dbraw/zinc/70/48/58/1070704858.db2.gz WBKPJOSQIXDBDH-UHFFFAOYSA-N 2 2 415.542 -0.198 20 0 HBADLP CC1=CC[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000571181509 1070713316 /nfs/dbraw/zinc/71/33/16/1070713316.db2.gz VJCHJPIUVXQVFE-UHFFFAOYSA-N 2 2 415.542 -0.127 20 0 HBADLP CC1=CC[N@H+](CCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000571181509 1070713306 /nfs/dbraw/zinc/71/33/06/1070713306.db2.gz VJCHJPIUVXQVFE-UHFFFAOYSA-N 2 2 415.542 -0.127 20 0 HBADLP [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)CCN2C1=O ZINC000571581732 1070720802 /nfs/dbraw/zinc/72/08/02/1070720802.db2.gz HQFCETXGSJXERA-MOPGFXCFSA-N 2 2 413.522 -0.491 20 0 HBADLP [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)CCN2C1=O ZINC000571581733 1070720960 /nfs/dbraw/zinc/72/09/60/1070720960.db2.gz HQFCETXGSJXERA-OALUTQOASA-N 2 2 413.522 -0.491 20 0 HBADLP [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)CCN2C1=O ZINC000571581734 1070720988 /nfs/dbraw/zinc/72/09/88/1070720988.db2.gz HQFCETXGSJXERA-RBUKOAKNSA-N 2 2 413.522 -0.491 20 0 HBADLP [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)CCN2C1=O ZINC000571581735 1070720760 /nfs/dbraw/zinc/72/07/60/1070720760.db2.gz HQFCETXGSJXERA-RTBURBONSA-N 2 2 413.522 -0.491 20 0 HBADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000571626022 1070722636 /nfs/dbraw/zinc/72/26/36/1070722636.db2.gz WAHGZGDVECHHSF-UHFFFAOYSA-N 2 2 422.530 -0.277 20 0 HBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000572859935 1070785598 /nfs/dbraw/zinc/78/55/98/1070785598.db2.gz UKGFXLCQNWEYQH-INIZCTEOSA-N 2 2 411.547 -0.822 20 0 HBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000572859936 1070785397 /nfs/dbraw/zinc/78/53/97/1070785397.db2.gz UKGFXLCQNWEYQH-MRXNPFEDSA-N 2 2 411.547 -0.822 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573359137 1070865261 /nfs/dbraw/zinc/86/52/61/1070865261.db2.gz RNGAJBLRDZZTPP-PMACEKPBSA-N 3 2 423.602 -0.035 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573359137 1070865235 /nfs/dbraw/zinc/86/52/35/1070865235.db2.gz RNGAJBLRDZZTPP-PMACEKPBSA-N 3 2 423.602 -0.035 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573359141 1070865674 /nfs/dbraw/zinc/86/56/74/1070865674.db2.gz RNGAJBLRDZZTPP-UXHICEINSA-N 3 2 423.602 -0.035 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573359141 1070865652 /nfs/dbraw/zinc/86/56/52/1070865652.db2.gz RNGAJBLRDZZTPP-UXHICEINSA-N 3 2 423.602 -0.035 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573359143 1070864992 /nfs/dbraw/zinc/86/49/92/1070864992.db2.gz RNGAJBLRDZZTPP-VQTJNVASSA-N 3 2 423.602 -0.035 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573359143 1070864962 /nfs/dbraw/zinc/86/49/62/1070864962.db2.gz RNGAJBLRDZZTPP-VQTJNVASSA-N 3 2 423.602 -0.035 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573359145 1070865487 /nfs/dbraw/zinc/86/54/87/1070865487.db2.gz RNGAJBLRDZZTPP-WOJBJXKFSA-N 3 2 423.602 -0.035 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573359145 1070865461 /nfs/dbraw/zinc/86/54/61/1070865461.db2.gz RNGAJBLRDZZTPP-WOJBJXKFSA-N 3 2 423.602 -0.035 20 0 HBADLP C[N@@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000573822370 1070885319 /nfs/dbraw/zinc/88/53/19/1070885319.db2.gz OARDWNLWODKKNP-UHFFFAOYSA-N 2 2 407.490 -0.346 20 0 HBADLP C[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000573822370 1070885299 /nfs/dbraw/zinc/88/52/99/1070885299.db2.gz OARDWNLWODKKNP-UHFFFAOYSA-N 2 2 407.490 -0.346 20 0 HBADLP C[NH+](C)Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000574103133 1070905334 /nfs/dbraw/zinc/90/53/34/1070905334.db2.gz QIRQZLXOSJXHAM-UHFFFAOYSA-N 2 2 410.544 -0.607 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000574579344 1070932999 /nfs/dbraw/zinc/93/29/99/1070932999.db2.gz DBPDKZFFZLKNCP-MOPGFXCFSA-N 2 2 411.591 -0.151 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000574579344 1070932974 /nfs/dbraw/zinc/93/29/74/1070932974.db2.gz DBPDKZFFZLKNCP-MOPGFXCFSA-N 2 2 411.591 -0.151 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000574579345 1070933441 /nfs/dbraw/zinc/93/34/41/1070933441.db2.gz DBPDKZFFZLKNCP-OALUTQOASA-N 2 2 411.591 -0.151 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000574579345 1070933431 /nfs/dbraw/zinc/93/34/31/1070933431.db2.gz DBPDKZFFZLKNCP-OALUTQOASA-N 2 2 411.591 -0.151 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000574579346 1070933304 /nfs/dbraw/zinc/93/33/04/1070933304.db2.gz DBPDKZFFZLKNCP-RBUKOAKNSA-N 2 2 411.591 -0.151 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000574579346 1070933292 /nfs/dbraw/zinc/93/32/92/1070933292.db2.gz DBPDKZFFZLKNCP-RBUKOAKNSA-N 2 2 411.591 -0.151 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000574579347 1070932875 /nfs/dbraw/zinc/93/28/75/1070932875.db2.gz DBPDKZFFZLKNCP-RTBURBONSA-N 2 2 411.591 -0.151 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000574579347 1070932863 /nfs/dbraw/zinc/93/28/63/1070932863.db2.gz DBPDKZFFZLKNCP-RTBURBONSA-N 2 2 411.591 -0.151 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000579858732 1068259361 /nfs/dbraw/zinc/25/93/61/1068259361.db2.gz RMGWEXFOYPDUAI-MOPGFXCFSA-N 2 2 406.527 -0.573 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000579858733 1068259618 /nfs/dbraw/zinc/25/96/18/1068259618.db2.gz RMGWEXFOYPDUAI-OALUTQOASA-N 2 2 406.527 -0.573 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000579858734 1068260601 /nfs/dbraw/zinc/26/06/01/1068260601.db2.gz RMGWEXFOYPDUAI-RBUKOAKNSA-N 2 2 406.527 -0.573 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000579858735 1068260187 /nfs/dbraw/zinc/26/01/87/1068260187.db2.gz RMGWEXFOYPDUAI-RTBURBONSA-N 2 2 406.527 -0.573 20 0 HBADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000580372315 1068394982 /nfs/dbraw/zinc/39/49/82/1068394982.db2.gz CWBSCTYCCZEUPX-GOSISDBHSA-N 2 2 414.547 -0.857 20 0 HBADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000580372316 1068394862 /nfs/dbraw/zinc/39/48/62/1068394862.db2.gz CWBSCTYCCZEUPX-SFHVURJKSA-N 2 2 414.547 -0.857 20 0 HBADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1C ZINC000580457172 1068401671 /nfs/dbraw/zinc/40/16/71/1068401671.db2.gz IKUYADUFIXCFSW-UHFFFAOYSA-N 2 2 414.514 -0.435 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000580579165 1068411800 /nfs/dbraw/zinc/41/18/00/1068411800.db2.gz ZKPQBRQEEHTUQO-KRWDZBQOSA-N 2 2 407.490 -0.129 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000580579166 1068411909 /nfs/dbraw/zinc/41/19/09/1068411909.db2.gz ZKPQBRQEEHTUQO-QGZVFWFLSA-N 2 2 407.490 -0.129 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H]3CN3CCOCC3)CC2)CC1 ZINC000580589361 1072208248 /nfs/dbraw/zinc/20/82/48/1072208248.db2.gz YSYJXSCQMTXGQD-FQEVSTJZSA-N 2 2 421.586 -0.016 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H]3CN3CCOCC3)CC2)CC1 ZINC000580589362 1072208123 /nfs/dbraw/zinc/20/81/23/1072208123.db2.gz YSYJXSCQMTXGQD-HXUWFJFHSA-N 2 2 421.586 -0.016 20 0 HBADLP CC(C)C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000580666360 1068418227 /nfs/dbraw/zinc/41/82/27/1068418227.db2.gz NJGZGYAJGPTAQZ-UHFFFAOYSA-N 2 2 407.559 -0.012 20 0 HBADLP CN(C(=O)[C@H]1CCc2nnn(C)c2C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000580683263 1068420733 /nfs/dbraw/zinc/42/07/33/1068420733.db2.gz JDRLBTVMOAXBFD-INIZCTEOSA-N 2 2 417.558 -0.383 20 0 HBADLP CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000580683264 1068420825 /nfs/dbraw/zinc/42/08/25/1068420825.db2.gz JDRLBTVMOAXBFD-MRXNPFEDSA-N 2 2 417.558 -0.383 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000580766249 1068428900 /nfs/dbraw/zinc/42/89/00/1068428900.db2.gz VMKSJGSNOMVDHB-DOTOQJQBSA-N 2 2 405.547 -0.413 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000580766250 1068428920 /nfs/dbraw/zinc/42/89/20/1068428920.db2.gz VMKSJGSNOMVDHB-NVXWUHKLSA-N 2 2 405.547 -0.413 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000580766251 1068428864 /nfs/dbraw/zinc/42/88/64/1068428864.db2.gz VMKSJGSNOMVDHB-RDJZCZTQSA-N 2 2 405.547 -0.413 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000580766252 1068428802 /nfs/dbraw/zinc/42/88/02/1068428802.db2.gz VMKSJGSNOMVDHB-WBVHZDCISA-N 2 2 405.547 -0.413 20 0 HBADLP C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000580847445 1068437289 /nfs/dbraw/zinc/43/72/89/1068437289.db2.gz XPTDOIZPMDMLPO-FQEVSTJZSA-N 2 2 417.554 -0.070 20 0 HBADLP C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000580847451 1068437232 /nfs/dbraw/zinc/43/72/32/1068437232.db2.gz XPTDOIZPMDMLPO-HXUWFJFHSA-N 2 2 417.554 -0.070 20 0 HBADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NCC[NH+]3CCSCC3)ccn2)CC1 ZINC000581265482 1068474541 /nfs/dbraw/zinc/47/45/41/1068474541.db2.gz WZVXDYNXCSRFOM-UHFFFAOYSA-N 2 2 406.556 -0.385 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)CC1 ZINC000581267402 1068474458 /nfs/dbraw/zinc/47/44/58/1068474458.db2.gz HRIPRGVYKHUBCJ-UHFFFAOYSA-N 2 2 407.559 -0.358 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000581573850 1068499431 /nfs/dbraw/zinc/49/94/31/1068499431.db2.gz PFKPEHNVJSDZTL-AEFFLSMTSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000581573850 1068499421 /nfs/dbraw/zinc/49/94/21/1068499421.db2.gz PFKPEHNVJSDZTL-AEFFLSMTSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)CC1 ZINC000581573850 1068499411 /nfs/dbraw/zinc/49/94/11/1068499411.db2.gz PFKPEHNVJSDZTL-AEFFLSMTSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)CC1 ZINC000581573850 1068499399 /nfs/dbraw/zinc/49/93/99/1068499399.db2.gz PFKPEHNVJSDZTL-AEFFLSMTSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581573851 1068499671 /nfs/dbraw/zinc/49/96/71/1068499671.db2.gz PFKPEHNVJSDZTL-FUHWJXTLSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581573851 1068499667 /nfs/dbraw/zinc/49/96/67/1068499667.db2.gz PFKPEHNVJSDZTL-FUHWJXTLSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)CC1 ZINC000581573851 1068499662 /nfs/dbraw/zinc/49/96/62/1068499662.db2.gz PFKPEHNVJSDZTL-FUHWJXTLSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)CC1 ZINC000581573851 1068499660 /nfs/dbraw/zinc/49/96/60/1068499660.db2.gz PFKPEHNVJSDZTL-FUHWJXTLSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000581573852 1068499721 /nfs/dbraw/zinc/49/97/21/1068499721.db2.gz PFKPEHNVJSDZTL-SJLPKXTDSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000581573852 1068499719 /nfs/dbraw/zinc/49/97/19/1068499719.db2.gz PFKPEHNVJSDZTL-SJLPKXTDSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)CC1 ZINC000581573852 1068499713 /nfs/dbraw/zinc/49/97/13/1068499713.db2.gz PFKPEHNVJSDZTL-SJLPKXTDSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)CC1 ZINC000581573852 1068499708 /nfs/dbraw/zinc/49/97/08/1068499708.db2.gz PFKPEHNVJSDZTL-SJLPKXTDSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581573853 1068499541 /nfs/dbraw/zinc/49/95/41/1068499541.db2.gz PFKPEHNVJSDZTL-WMZOPIPTSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581573853 1068499536 /nfs/dbraw/zinc/49/95/36/1068499536.db2.gz PFKPEHNVJSDZTL-WMZOPIPTSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)CC1 ZINC000581573853 1068499529 /nfs/dbraw/zinc/49/95/29/1068499529.db2.gz PFKPEHNVJSDZTL-WMZOPIPTSA-N 2 2 407.559 -0.012 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)CC1 ZINC000581573853 1068499524 /nfs/dbraw/zinc/49/95/24/1068499524.db2.gz PFKPEHNVJSDZTL-WMZOPIPTSA-N 2 2 407.559 -0.012 20 0 HBADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCCn1cc[nH+]c1 ZINC000581671685 1068508568 /nfs/dbraw/zinc/50/85/68/1068508568.db2.gz DMZIBLSDGREWAL-UHFFFAOYSA-N 2 2 400.487 -0.492 20 0 HBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000581875262 1068531608 /nfs/dbraw/zinc/53/16/08/1068531608.db2.gz PJABNHQCULZESS-KRWDZBQOSA-N 2 2 414.514 -0.104 20 0 HBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000581875263 1068531811 /nfs/dbraw/zinc/53/18/11/1068531811.db2.gz PJABNHQCULZESS-QGZVFWFLSA-N 2 2 414.514 -0.104 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)CC2)CC1 ZINC000581900517 1068539090 /nfs/dbraw/zinc/53/90/90/1068539090.db2.gz CCGAOSFTYPYLJH-UHFFFAOYSA-N 2 2 422.574 -0.931 20 0 HBADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000581956785 1068547285 /nfs/dbraw/zinc/54/72/85/1068547285.db2.gz CJRUSMNALXFTHR-UHFFFAOYSA-N 2 2 423.558 -0.772 20 0 HBADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000582023038 1068646333 /nfs/dbraw/zinc/64/63/33/1068646333.db2.gz QKILVRNCJWRBSW-DLBZAZTESA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000582023038 1068646332 /nfs/dbraw/zinc/64/63/32/1068646332.db2.gz QKILVRNCJWRBSW-DLBZAZTESA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000582023038 1068646326 /nfs/dbraw/zinc/64/63/26/1068646326.db2.gz QKILVRNCJWRBSW-DLBZAZTESA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000582023038 1068646321 /nfs/dbraw/zinc/64/63/21/1068646321.db2.gz QKILVRNCJWRBSW-DLBZAZTESA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000582023039 1068646543 /nfs/dbraw/zinc/64/65/43/1068646543.db2.gz QKILVRNCJWRBSW-IAGOWNOFSA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000582023039 1068646537 /nfs/dbraw/zinc/64/65/37/1068646537.db2.gz QKILVRNCJWRBSW-IAGOWNOFSA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000582023039 1068646531 /nfs/dbraw/zinc/64/65/31/1068646531.db2.gz QKILVRNCJWRBSW-IAGOWNOFSA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1 ZINC000582023039 1068646523 /nfs/dbraw/zinc/64/65/23/1068646523.db2.gz QKILVRNCJWRBSW-IAGOWNOFSA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000582023040 1068646485 /nfs/dbraw/zinc/64/64/85/1068646485.db2.gz QKILVRNCJWRBSW-IRXDYDNUSA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000582023040 1068646479 /nfs/dbraw/zinc/64/64/79/1068646479.db2.gz QKILVRNCJWRBSW-IRXDYDNUSA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000582023040 1068646474 /nfs/dbraw/zinc/64/64/74/1068646474.db2.gz QKILVRNCJWRBSW-IRXDYDNUSA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000582023040 1068646460 /nfs/dbraw/zinc/64/64/60/1068646460.db2.gz QKILVRNCJWRBSW-IRXDYDNUSA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000582023041 1068646187 /nfs/dbraw/zinc/64/61/87/1068646187.db2.gz QKILVRNCJWRBSW-SJORKVTESA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000582023041 1068646176 /nfs/dbraw/zinc/64/61/76/1068646176.db2.gz QKILVRNCJWRBSW-SJORKVTESA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000582023041 1068646174 /nfs/dbraw/zinc/64/61/74/1068646174.db2.gz QKILVRNCJWRBSW-SJORKVTESA-N 2 2 411.547 -0.742 20 0 HBADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1 ZINC000582023041 1068646160 /nfs/dbraw/zinc/64/61/60/1068646160.db2.gz QKILVRNCJWRBSW-SJORKVTESA-N 2 2 411.547 -0.742 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)CC1 ZINC000582055353 1068648542 /nfs/dbraw/zinc/64/85/42/1068648542.db2.gz GIWQMAFDWHRJFZ-GOSISDBHSA-N 2 2 424.542 -0.611 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)CC1 ZINC000582055354 1068648577 /nfs/dbraw/zinc/64/85/77/1068648577.db2.gz GIWQMAFDWHRJFZ-SFHVURJKSA-N 2 2 424.542 -0.611 20 0 HBADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000582112523 1068657383 /nfs/dbraw/zinc/65/73/83/1068657383.db2.gz BEYMMWHXMMXRTK-UHFFFAOYSA-N 2 2 409.575 -0.301 20 0 HBADLP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000582314472 1068678932 /nfs/dbraw/zinc/67/89/32/1068678932.db2.gz ZAJAPTPPXOYMPQ-KRWDZBQOSA-N 2 2 401.577 -0.113 20 0 HBADLP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000582314472 1068678929 /nfs/dbraw/zinc/67/89/29/1068678929.db2.gz ZAJAPTPPXOYMPQ-KRWDZBQOSA-N 2 2 401.577 -0.113 20 0 HBADLP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000582314473 1068678809 /nfs/dbraw/zinc/67/88/09/1068678809.db2.gz ZAJAPTPPXOYMPQ-QGZVFWFLSA-N 2 2 401.577 -0.113 20 0 HBADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000582314473 1068678803 /nfs/dbraw/zinc/67/88/03/1068678803.db2.gz ZAJAPTPPXOYMPQ-QGZVFWFLSA-N 2 2 401.577 -0.113 20 0 HBADLP CCC[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000582920380 1068740606 /nfs/dbraw/zinc/74/06/06/1068740606.db2.gz QKCXSUJACYQYLV-KRWDZBQOSA-N 2 2 411.547 -0.774 20 0 HBADLP CCC[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000582920380 1068740601 /nfs/dbraw/zinc/74/06/01/1068740601.db2.gz QKCXSUJACYQYLV-KRWDZBQOSA-N 2 2 411.547 -0.774 20 0 HBADLP CCC[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000582920382 1068741156 /nfs/dbraw/zinc/74/11/56/1068741156.db2.gz QKCXSUJACYQYLV-QGZVFWFLSA-N 2 2 411.547 -0.774 20 0 HBADLP CCC[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000582920382 1068741148 /nfs/dbraw/zinc/74/11/48/1068741148.db2.gz QKCXSUJACYQYLV-QGZVFWFLSA-N 2 2 411.547 -0.774 20 0 HBADLP CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000582926421 1068741094 /nfs/dbraw/zinc/74/10/94/1068741094.db2.gz ZSTWQBANYDUIRL-KRWDZBQOSA-N 2 2 411.547 -0.776 20 0 HBADLP CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000582926421 1068741085 /nfs/dbraw/zinc/74/10/85/1068741085.db2.gz ZSTWQBANYDUIRL-KRWDZBQOSA-N 2 2 411.547 -0.776 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000582926422 1068741012 /nfs/dbraw/zinc/74/10/12/1068741012.db2.gz ZSTWQBANYDUIRL-QGZVFWFLSA-N 2 2 411.547 -0.776 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000582926422 1068741001 /nfs/dbraw/zinc/74/10/01/1068741001.db2.gz ZSTWQBANYDUIRL-QGZVFWFLSA-N 2 2 411.547 -0.776 20 0 HBADLP CCOCCN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000583134684 1068761091 /nfs/dbraw/zinc/76/10/91/1068761091.db2.gz VOHITUYPGGPKKX-UHFFFAOYSA-N 2 2 409.575 -0.158 20 0 HBADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000583155257 1068763007 /nfs/dbraw/zinc/76/30/07/1068763007.db2.gz OYMZJTGLPODNBJ-HKUYNNGSSA-N 2 2 401.511 -0.417 20 0 HBADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000583155261 1068762936 /nfs/dbraw/zinc/76/29/36/1068762936.db2.gz OYMZJTGLPODNBJ-IEBWSBKVSA-N 2 2 401.511 -0.417 20 0 HBADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000583155262 1068763155 /nfs/dbraw/zinc/76/31/55/1068763155.db2.gz OYMZJTGLPODNBJ-MJGOQNOKSA-N 2 2 401.511 -0.417 20 0 HBADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000583155264 1068763236 /nfs/dbraw/zinc/76/32/36/1068763236.db2.gz OYMZJTGLPODNBJ-PKOBYXMFSA-N 2 2 401.511 -0.417 20 0 HBADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000583277664 1068772729 /nfs/dbraw/zinc/77/27/29/1068772729.db2.gz GSWLZRLAJSVOLF-CEXWTWQISA-N 2 2 409.575 -0.254 20 0 HBADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000583277665 1068772918 /nfs/dbraw/zinc/77/29/18/1068772918.db2.gz GSWLZRLAJSVOLF-GUDVDZBRSA-N 2 2 409.575 -0.254 20 0 HBADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000583277666 1068772838 /nfs/dbraw/zinc/77/28/38/1068772838.db2.gz GSWLZRLAJSVOLF-QRVBRYPASA-N 2 2 409.575 -0.254 20 0 HBADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000583277667 1068772702 /nfs/dbraw/zinc/77/27/02/1068772702.db2.gz GSWLZRLAJSVOLF-QYZOEREBSA-N 2 2 409.575 -0.254 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000583282644 1068774535 /nfs/dbraw/zinc/77/45/35/1068774535.db2.gz KUGIFRGWWUXSKO-IBGZPJMESA-N 2 2 419.526 -0.434 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000583282645 1068774695 /nfs/dbraw/zinc/77/46/95/1068774695.db2.gz KUGIFRGWWUXSKO-LJQANCHMSA-N 2 2 419.526 -0.434 20 0 HBADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000583423518 1068785206 /nfs/dbraw/zinc/78/52/06/1068785206.db2.gz PDMGPCOBDNMHAZ-QGZVFWFLSA-N 2 2 418.608 -0.074 20 0 HBADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000583423518 1068785193 /nfs/dbraw/zinc/78/51/93/1068785193.db2.gz PDMGPCOBDNMHAZ-QGZVFWFLSA-N 2 2 418.608 -0.074 20 0 HBADLP CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583725828 1068822275 /nfs/dbraw/zinc/82/22/75/1068822275.db2.gz IAJRDXSTXMLZHR-ILZDJORESA-N 2 2 408.543 -0.265 20 0 HBADLP CN(C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583725829 1068822002 /nfs/dbraw/zinc/82/20/02/1068822002.db2.gz IAJRDXSTXMLZHR-IMFGXOCKSA-N 2 2 408.543 -0.265 20 0 HBADLP CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583725830 1068821939 /nfs/dbraw/zinc/82/19/39/1068821939.db2.gz IAJRDXSTXMLZHR-XKGZKEIXSA-N 2 2 408.543 -0.265 20 0 HBADLP 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COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000588812612 1070756724 /nfs/dbraw/zinc/75/67/24/1070756724.db2.gz UYLWVQJEDAHLTP-IRXDYDNUSA-N 2 2 412.531 -0.301 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000588812612 1070756714 /nfs/dbraw/zinc/75/67/14/1070756714.db2.gz UYLWVQJEDAHLTP-IRXDYDNUSA-N 2 2 412.531 -0.301 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000588812612 1070756700 /nfs/dbraw/zinc/75/67/00/1070756700.db2.gz UYLWVQJEDAHLTP-IRXDYDNUSA-N 2 2 412.531 -0.301 20 0 HBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000588812614 1070756929 /nfs/dbraw/zinc/75/69/29/1070756929.db2.gz UYLWVQJEDAHLTP-SJORKVTESA-N 2 2 412.531 -0.301 20 0 HBADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000588812614 1070756919 /nfs/dbraw/zinc/75/69/19/1070756919.db2.gz UYLWVQJEDAHLTP-SJORKVTESA-N 2 2 412.531 -0.301 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000588812614 1070756907 /nfs/dbraw/zinc/75/69/07/1070756907.db2.gz UYLWVQJEDAHLTP-SJORKVTESA-N 2 2 412.531 -0.301 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000588812614 1070756891 /nfs/dbraw/zinc/75/68/91/1070756891.db2.gz UYLWVQJEDAHLTP-SJORKVTESA-N 2 2 412.531 -0.301 20 0 HBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000589219605 1070769405 /nfs/dbraw/zinc/76/94/05/1070769405.db2.gz DGQRCUXYYWXWNF-INIZCTEOSA-N 2 2 404.581 -0.464 20 0 HBADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000589219605 1070769394 /nfs/dbraw/zinc/76/93/94/1070769394.db2.gz DGQRCUXYYWXWNF-INIZCTEOSA-N 2 2 404.581 -0.464 20 0 HBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000589219606 1070769473 /nfs/dbraw/zinc/76/94/73/1070769473.db2.gz DGQRCUXYYWXWNF-MRXNPFEDSA-N 2 2 404.581 -0.464 20 0 HBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000589219606 1070769460 /nfs/dbraw/zinc/76/94/60/1070769460.db2.gz DGQRCUXYYWXWNF-MRXNPFEDSA-N 2 2 404.581 -0.464 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000590315306 1070806036 /nfs/dbraw/zinc/80/60/36/1070806036.db2.gz PFSWJILNNOPRDP-MSOLQXFVSA-N 2 2 423.558 -0.774 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000590315306 1070806011 /nfs/dbraw/zinc/80/60/11/1070806011.db2.gz PFSWJILNNOPRDP-MSOLQXFVSA-N 2 2 423.558 -0.774 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000590315309 1070806930 /nfs/dbraw/zinc/80/69/30/1070806930.db2.gz PFSWJILNNOPRDP-QZTJIDSGSA-N 2 2 423.558 -0.774 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000590315309 1070806898 /nfs/dbraw/zinc/80/68/98/1070806898.db2.gz PFSWJILNNOPRDP-QZTJIDSGSA-N 2 2 423.558 -0.774 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000590315311 1069066724 /nfs/dbraw/zinc/06/67/24/1069066724.db2.gz PFSWJILNNOPRDP-ROUUACIJSA-N 2 2 423.558 -0.774 20 0 HBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000590315311 1069066719 /nfs/dbraw/zinc/06/67/19/1069066719.db2.gz PFSWJILNNOPRDP-ROUUACIJSA-N 2 2 423.558 -0.774 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000590315313 1070807196 /nfs/dbraw/zinc/80/71/96/1070807196.db2.gz PFSWJILNNOPRDP-ZWKOTPCHSA-N 2 2 423.558 -0.774 20 0 HBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000590315313 1070807169 /nfs/dbraw/zinc/80/71/69/1070807169.db2.gz PFSWJILNNOPRDP-ZWKOTPCHSA-N 2 2 423.558 -0.774 20 0 HBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000590496748 1070813473 /nfs/dbraw/zinc/81/34/73/1070813473.db2.gz NIZXGTDLVDSOKH-MOPGFXCFSA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000590496748 1070813441 /nfs/dbraw/zinc/81/34/41/1070813441.db2.gz NIZXGTDLVDSOKH-MOPGFXCFSA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000590496752 1070813189 /nfs/dbraw/zinc/81/31/89/1070813189.db2.gz NIZXGTDLVDSOKH-OALUTQOASA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000590496752 1070813164 /nfs/dbraw/zinc/81/31/64/1070813164.db2.gz NIZXGTDLVDSOKH-OALUTQOASA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000590496761 1070812413 /nfs/dbraw/zinc/81/24/13/1070812413.db2.gz NIZXGTDLVDSOKH-RBUKOAKNSA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000590496761 1070812380 /nfs/dbraw/zinc/81/23/80/1070812380.db2.gz NIZXGTDLVDSOKH-RBUKOAKNSA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000590496762 1070812840 /nfs/dbraw/zinc/81/28/40/1070812840.db2.gz NIZXGTDLVDSOKH-RTBURBONSA-N 2 2 408.543 -0.120 20 0 HBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000590496762 1070812811 /nfs/dbraw/zinc/81/28/11/1070812811.db2.gz NIZXGTDLVDSOKH-RTBURBONSA-N 2 2 408.543 -0.120 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000591584046 1070869809 /nfs/dbraw/zinc/86/98/09/1070869809.db2.gz JECHASDAVPKBNF-UHFFFAOYSA-N 2 2 418.608 -0.769 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000591584046 1070869791 /nfs/dbraw/zinc/86/97/91/1070869791.db2.gz JECHASDAVPKBNF-UHFFFAOYSA-N 2 2 418.608 -0.769 20 0 HBADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000591615931 1070870491 /nfs/dbraw/zinc/87/04/91/1070870491.db2.gz HLGNBBWJLZOHHL-HNNXBMFYSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000591615931 1070870465 /nfs/dbraw/zinc/87/04/65/1070870465.db2.gz HLGNBBWJLZOHHL-HNNXBMFYSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000591615934 1070870707 /nfs/dbraw/zinc/87/07/07/1070870707.db2.gz HLGNBBWJLZOHHL-OAHLLOKOSA-N 2 2 402.565 -0.712 20 0 HBADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000591615934 1070870681 /nfs/dbraw/zinc/87/06/81/1070870681.db2.gz HLGNBBWJLZOHHL-OAHLLOKOSA-N 2 2 402.565 -0.712 20 0 HBADLP CN(C(=O)C1(C(=O)NC2CC2)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082491 1070890212 /nfs/dbraw/zinc/89/02/12/1070890212.db2.gz LAADGZWJKYERIR-UHFFFAOYSA-N 2 2 405.543 -0.258 20 0 HBADLP C[C@H](Sc1nncn1C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082990 1070890152 /nfs/dbraw/zinc/89/01/52/1070890152.db2.gz YGBLBIFSPKCDJR-HNNXBMFYSA-N 2 2 423.587 -0.008 20 0 HBADLP C[C@@H](Sc1nncn1C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082991 1070889656 /nfs/dbraw/zinc/88/96/56/1070889656.db2.gz YGBLBIFSPKCDJR-OAHLLOKOSA-N 2 2 423.587 -0.008 20 0 HBADLP CN(C(=O)CCSc1nnnn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592083000 1070890058 /nfs/dbraw/zinc/89/00/58/1070890058.db2.gz ZCCSLNFELUUADE-UHFFFAOYSA-N 2 2 424.575 -0.611 20 0 HBADLP C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)N1C(=O)CCC1=O ZINC000592085976 1070889575 /nfs/dbraw/zinc/88/95/75/1070889575.db2.gz DSRLGUNOFUSLBL-HNNXBMFYSA-N 2 2 407.515 -0.779 20 0 HBADLP C[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)N1C(=O)CCC1=O ZINC000592085983 1070889778 /nfs/dbraw/zinc/88/97/78/1070889778.db2.gz DSRLGUNOFUSLBL-OAHLLOKOSA-N 2 2 407.515 -0.779 20 0 HBADLP CN(C(=O)CCN1C(=O)CCC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592085995 1070889450 /nfs/dbraw/zinc/88/94/50/1070889450.db2.gz FJDJPTIXDJYIMW-UHFFFAOYSA-N 2 2 407.515 -0.778 20 0 HBADLP CN(C(=O)CCn1ccccc1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086042 1070889939 /nfs/dbraw/zinc/88/99/39/1070889939.db2.gz GJQBGOHEWCAVAA-UHFFFAOYSA-N 2 2 403.527 -0.065 20 0 HBADLP CN(C(=O)[C@@]12CCC(=O)N1CCS2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086822 1070889874 /nfs/dbraw/zinc/88/98/74/1070889874.db2.gz WFHMTWYPWSVHRP-FQEVSTJZSA-N 2 2 423.583 -0.251 20 0 HBADLP CN(C(=O)[C@]12CCC(=O)N1CCS2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592086825 1070890005 /nfs/dbraw/zinc/89/00/05/1070890005.db2.gz WFHMTWYPWSVHRP-HXUWFJFHSA-N 2 2 423.583 -0.251 20 0 HBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000592483632 1070898959 /nfs/dbraw/zinc/89/89/59/1070898959.db2.gz GPORPTWXNIDBCF-GOSISDBHSA-N 2 2 404.563 -0.076 20 0 HBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000592483636 1070898792 /nfs/dbraw/zinc/89/87/92/1070898792.db2.gz GPORPTWXNIDBCF-SFHVURJKSA-N 2 2 404.563 -0.076 20 0 HBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000592884811 1070901216 /nfs/dbraw/zinc/90/12/16/1070901216.db2.gz FQFSMNYZLDSJEA-IBGZPJMESA-N 2 2 407.559 -0.593 20 0 HBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000592884814 1070901092 /nfs/dbraw/zinc/90/10/92/1070901092.db2.gz FQFSMNYZLDSJEA-LJQANCHMSA-N 2 2 407.559 -0.593 20 0 HBADLP CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000594125428 1070929889 /nfs/dbraw/zinc/92/98/89/1070929889.db2.gz LFMLQVYBRQACID-UHFFFAOYSA-N 2 2 422.574 -0.075 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCN(C(C)=O)CC3)CC2)CC1 ZINC000595593046 1070725514 /nfs/dbraw/zinc/72/55/14/1070725514.db2.gz UUGNAIHTRGBHNH-UHFFFAOYSA-N 2 2 407.559 -0.057 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCCCCC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000599094901 1070995638 /nfs/dbraw/zinc/99/56/38/1070995638.db2.gz IQJBTCKWBSJJDD-KDURUIRLSA-N 2 2 412.575 -0.013 20 0 HBADLP CC[NH+]1CCN(CCCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000600004417 1071899297 /nfs/dbraw/zinc/89/92/97/1071899297.db2.gz VMSSLDOYSVJLOJ-IBGZPJMESA-N 2 2 409.575 -0.157 20 0 HBADLP CC[NH+]1CCN(CCCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000600004418 1071899511 /nfs/dbraw/zinc/89/95/11/1071899511.db2.gz VMSSLDOYSVJLOJ-LJQANCHMSA-N 2 2 409.575 -0.157 20 0 HBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000600157678 1070206943 /nfs/dbraw/zinc/20/69/43/1070206943.db2.gz UHYCEXJAPFMAAR-FHWLQOOXSA-N 2 2 408.543 -0.243 20 0 HBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000600157679 1070207158 /nfs/dbraw/zinc/20/71/58/1070207158.db2.gz UHYCEXJAPFMAAR-OTWHNJEPSA-N 2 2 408.543 -0.243 20 0 HBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000600157680 1070207550 /nfs/dbraw/zinc/20/75/50/1070207550.db2.gz UHYCEXJAPFMAAR-QRVBRYPASA-N 2 2 408.543 -0.243 20 0 HBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000600157681 1070207673 /nfs/dbraw/zinc/20/76/73/1070207673.db2.gz UHYCEXJAPFMAAR-QYZOEREBSA-N 2 2 408.543 -0.243 20 0 HBADLP CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477012 1069154251 /nfs/dbraw/zinc/15/42/51/1069154251.db2.gz AEVUUGNHSBPZNN-INIZCTEOSA-N 2 2 414.510 -0.127 20 0 HBADLP CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477012 1069154247 /nfs/dbraw/zinc/15/42/47/1069154247.db2.gz AEVUUGNHSBPZNN-INIZCTEOSA-N 2 2 414.510 -0.127 20 0 HBADLP CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477014 1069154117 /nfs/dbraw/zinc/15/41/17/1069154117.db2.gz AEVUUGNHSBPZNN-MRXNPFEDSA-N 2 2 414.510 -0.127 20 0 HBADLP CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477014 1069154105 /nfs/dbraw/zinc/15/41/05/1069154105.db2.gz AEVUUGNHSBPZNN-MRXNPFEDSA-N 2 2 414.510 -0.127 20 0 HBADLP CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477053 1070964606 /nfs/dbraw/zinc/96/46/06/1070964606.db2.gz APENECSFHPNGJH-HNNXBMFYSA-N 2 2 414.510 -0.127 20 0 HBADLP CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477053 1070964595 /nfs/dbraw/zinc/96/45/95/1070964595.db2.gz APENECSFHPNGJH-HNNXBMFYSA-N 2 2 414.510 -0.127 20 0 HBADLP CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477055 1070964770 /nfs/dbraw/zinc/96/47/70/1070964770.db2.gz APENECSFHPNGJH-OAHLLOKOSA-N 2 2 414.510 -0.127 20 0 HBADLP CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477055 1070964763 /nfs/dbraw/zinc/96/47/63/1070964763.db2.gz APENECSFHPNGJH-OAHLLOKOSA-N 2 2 414.510 -0.127 20 0 HBADLP Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000601479010 1070964527 /nfs/dbraw/zinc/96/45/27/1070964527.db2.gz RVHKHNFEALXASR-INIZCTEOSA-N 2 2 412.560 -0.366 20 0 HBADLP Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000601479010 1070964519 /nfs/dbraw/zinc/96/45/19/1070964519.db2.gz RVHKHNFEALXASR-INIZCTEOSA-N 2 2 412.560 -0.366 20 0 HBADLP Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000601479011 1070964809 /nfs/dbraw/zinc/96/48/09/1070964809.db2.gz RVHKHNFEALXASR-MRXNPFEDSA-N 2 2 412.560 -0.366 20 0 HBADLP Cc1nc(S(=O)(=O)NCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000601479011 1070964801 /nfs/dbraw/zinc/96/48/01/1070964801.db2.gz RVHKHNFEALXASR-MRXNPFEDSA-N 2 2 412.560 -0.366 20 0 HBADLP CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479163 1070964363 /nfs/dbraw/zinc/96/43/63/1070964363.db2.gz JROXYRBCGCXEMW-HNNXBMFYSA-N 2 2 416.526 -0.184 20 0 HBADLP CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479163 1070964355 /nfs/dbraw/zinc/96/43/55/1070964355.db2.gz JROXYRBCGCXEMW-HNNXBMFYSA-N 2 2 416.526 -0.184 20 0 HBADLP CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479164 1070964481 /nfs/dbraw/zinc/96/44/81/1070964481.db2.gz JROXYRBCGCXEMW-OAHLLOKOSA-N 2 2 416.526 -0.184 20 0 HBADLP CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479164 1070964475 /nfs/dbraw/zinc/96/44/75/1070964475.db2.gz JROXYRBCGCXEMW-OAHLLOKOSA-N 2 2 416.526 -0.184 20 0 HBADLP CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479357 1069181218 /nfs/dbraw/zinc/18/12/18/1069181218.db2.gz XQPSPWLJCRILTE-HNNXBMFYSA-N 2 2 417.514 -0.939 20 0 HBADLP CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479357 1069181207 /nfs/dbraw/zinc/18/12/07/1069181207.db2.gz XQPSPWLJCRILTE-HNNXBMFYSA-N 2 2 417.514 -0.939 20 0 HBADLP CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479358 1069181482 /nfs/dbraw/zinc/18/14/82/1069181482.db2.gz XQPSPWLJCRILTE-OAHLLOKOSA-N 2 2 417.514 -0.939 20 0 HBADLP CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479358 1069181479 /nfs/dbraw/zinc/18/14/79/1069181479.db2.gz XQPSPWLJCRILTE-OAHLLOKOSA-N 2 2 417.514 -0.939 20 0 HBADLP CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479552 1070964707 /nfs/dbraw/zinc/96/47/07/1070964707.db2.gz WHHWFUNQRUZEIB-HNNXBMFYSA-N 2 2 417.514 -0.939 20 0 HBADLP CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479552 1070964702 /nfs/dbraw/zinc/96/47/02/1070964702.db2.gz WHHWFUNQRUZEIB-HNNXBMFYSA-N 2 2 417.514 -0.939 20 0 HBADLP CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479553 1070964388 /nfs/dbraw/zinc/96/43/88/1070964388.db2.gz WHHWFUNQRUZEIB-OAHLLOKOSA-N 2 2 417.514 -0.939 20 0 HBADLP CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479553 1070964385 /nfs/dbraw/zinc/96/43/85/1070964385.db2.gz WHHWFUNQRUZEIB-OAHLLOKOSA-N 2 2 417.514 -0.939 20 0 HBADLP Cn1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000602194390 1070973751 /nfs/dbraw/zinc/97/37/51/1070973751.db2.gz KMMFYVOHMBVRNI-CYBMUJFWSA-N 2 2 402.499 -0.526 20 0 HBADLP Cn1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000602194390 1070973749 /nfs/dbraw/zinc/97/37/49/1070973749.db2.gz KMMFYVOHMBVRNI-CYBMUJFWSA-N 2 2 402.499 -0.526 20 0 HBADLP Cn1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000602194398 1070973482 /nfs/dbraw/zinc/97/34/82/1070973482.db2.gz KMMFYVOHMBVRNI-ZDUSSCGKSA-N 2 2 402.499 -0.526 20 0 HBADLP Cn1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000602194398 1070973470 /nfs/dbraw/zinc/97/34/70/1070973470.db2.gz KMMFYVOHMBVRNI-ZDUSSCGKSA-N 2 2 402.499 -0.526 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)CC1 ZINC000602195186 1070973677 /nfs/dbraw/zinc/97/36/77/1070973677.db2.gz MFXVULGKOJGIDN-LLVKDONJSA-N 2 2 414.304 -0.004 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)CC1 ZINC000602195186 1070973673 /nfs/dbraw/zinc/97/36/73/1070973673.db2.gz MFXVULGKOJGIDN-LLVKDONJSA-N 2 2 414.304 -0.004 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)CC1 ZINC000602195196 1070974382 /nfs/dbraw/zinc/97/43/82/1070974382.db2.gz MFXVULGKOJGIDN-NSHDSACASA-N 2 2 414.304 -0.004 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)CC1 ZINC000602195196 1070974373 /nfs/dbraw/zinc/97/43/73/1070974373.db2.gz MFXVULGKOJGIDN-NSHDSACASA-N 2 2 414.304 -0.004 20 0 HBADLP Cn1c(=O)c2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cnc2n(C)c1=O ZINC000602199811 1070975158 /nfs/dbraw/zinc/97/51/58/1070975158.db2.gz IQYPXQRRVICJGW-AWEZNQCLSA-N 2 2 400.483 -0.470 20 0 HBADLP Cn1c(=O)c2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cnc2n(C)c1=O ZINC000602199811 1070975151 /nfs/dbraw/zinc/97/51/51/1070975151.db2.gz IQYPXQRRVICJGW-AWEZNQCLSA-N 2 2 400.483 -0.470 20 0 HBADLP Cn1c(=O)c2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cnc2n(C)c1=O ZINC000602199818 1070975078 /nfs/dbraw/zinc/97/50/78/1070975078.db2.gz IQYPXQRRVICJGW-CQSZACIVSA-N 2 2 400.483 -0.470 20 0 HBADLP Cn1c(=O)c2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cnc2n(C)c1=O ZINC000602199818 1070975072 /nfs/dbraw/zinc/97/50/72/1070975072.db2.gz IQYPXQRRVICJGW-CQSZACIVSA-N 2 2 400.483 -0.470 20 0 HBADLP Cn1c2ncn(CCC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000602201236 1070975208 /nfs/dbraw/zinc/97/52/08/1070975208.db2.gz LKAFDPNBFHVWRG-AWEZNQCLSA-N 2 2 417.514 -0.892 20 0 HBADLP Cn1c2ncn(CCC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000602201236 1070975202 /nfs/dbraw/zinc/97/52/02/1070975202.db2.gz LKAFDPNBFHVWRG-AWEZNQCLSA-N 2 2 417.514 -0.892 20 0 HBADLP Cn1c2ncn(CCC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000602201246 1070975293 /nfs/dbraw/zinc/97/52/93/1070975293.db2.gz LKAFDPNBFHVWRG-CQSZACIVSA-N 2 2 417.514 -0.892 20 0 HBADLP Cn1c2ncn(CCC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2c(=O)n(C)c1=O ZINC000602201246 1070975285 /nfs/dbraw/zinc/97/52/85/1070975285.db2.gz LKAFDPNBFHVWRG-CQSZACIVSA-N 2 2 417.514 -0.892 20 0 HBADLP Cn1c(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2n(C)c1=O ZINC000602201911 1070976264 /nfs/dbraw/zinc/97/62/64/1070976264.db2.gz UAWNWACVBHAVKQ-CYBMUJFWSA-N 2 2 400.483 -0.470 20 0 HBADLP Cn1c(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2n(C)c1=O ZINC000602201911 1070976255 /nfs/dbraw/zinc/97/62/55/1070976255.db2.gz UAWNWACVBHAVKQ-CYBMUJFWSA-N 2 2 400.483 -0.470 20 0 HBADLP Cn1c(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2n(C)c1=O ZINC000602201912 1070976139 /nfs/dbraw/zinc/97/61/39/1070976139.db2.gz UAWNWACVBHAVKQ-ZDUSSCGKSA-N 2 2 400.483 -0.470 20 0 HBADLP Cn1c(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2n(C)c1=O ZINC000602201912 1070976129 /nfs/dbraw/zinc/97/61/29/1070976129.db2.gz UAWNWACVBHAVKQ-ZDUSSCGKSA-N 2 2 400.483 -0.470 20 0 HBADLP Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000602203163 1070975992 /nfs/dbraw/zinc/97/59/92/1070975992.db2.gz DBJIVHCOMDWAMV-HNNXBMFYSA-N 2 2 412.560 -0.318 20 0 HBADLP Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000602203163 1070975981 /nfs/dbraw/zinc/97/59/81/1070975981.db2.gz DBJIVHCOMDWAMV-HNNXBMFYSA-N 2 2 412.560 -0.318 20 0 HBADLP Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000602203164 1070976083 /nfs/dbraw/zinc/97/60/83/1070976083.db2.gz DBJIVHCOMDWAMV-OAHLLOKOSA-N 2 2 412.560 -0.318 20 0 HBADLP Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000602203164 1070976072 /nfs/dbraw/zinc/97/60/72/1070976072.db2.gz DBJIVHCOMDWAMV-OAHLLOKOSA-N 2 2 412.560 -0.318 20 0 HBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000603498308 1070993978 /nfs/dbraw/zinc/99/39/78/1070993978.db2.gz RKWQOZSRLRZNEW-JGPFYOFESA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000603498308 1070993968 /nfs/dbraw/zinc/99/39/68/1070993968.db2.gz RKWQOZSRLRZNEW-JGPFYOFESA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000603498309 1070994235 /nfs/dbraw/zinc/99/42/35/1070994235.db2.gz RKWQOZSRLRZNEW-OBMMGQTPSA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000603498309 1070994223 /nfs/dbraw/zinc/99/42/23/1070994223.db2.gz RKWQOZSRLRZNEW-OBMMGQTPSA-N 2 2 408.590 -0.430 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000604173156 1069252604 /nfs/dbraw/zinc/25/26/04/1069252604.db2.gz ARQRPIAACQSRKR-UHFFFAOYSA-N 2 2 422.574 -0.218 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000604188537 1071016413 /nfs/dbraw/zinc/01/64/13/1071016413.db2.gz ZKVDZRHZBRFZJE-INIZCTEOSA-N 2 2 416.592 -0.969 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000604188537 1071016394 /nfs/dbraw/zinc/01/63/94/1071016394.db2.gz ZKVDZRHZBRFZJE-INIZCTEOSA-N 2 2 416.592 -0.969 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000604188538 1071016659 /nfs/dbraw/zinc/01/66/59/1071016659.db2.gz ZKVDZRHZBRFZJE-MRXNPFEDSA-N 2 2 416.592 -0.969 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000604188538 1071016640 /nfs/dbraw/zinc/01/66/40/1071016640.db2.gz ZKVDZRHZBRFZJE-MRXNPFEDSA-N 2 2 416.592 -0.969 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000604194375 1071016315 /nfs/dbraw/zinc/01/63/15/1071016315.db2.gz LHATVGVIHSNFSA-HNNXBMFYSA-N 2 2 419.617 -0.167 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000604194375 1071016298 /nfs/dbraw/zinc/01/62/98/1071016298.db2.gz LHATVGVIHSNFSA-HNNXBMFYSA-N 2 2 419.617 -0.167 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000604194376 1071016564 /nfs/dbraw/zinc/01/65/64/1071016564.db2.gz LHATVGVIHSNFSA-OAHLLOKOSA-N 2 2 419.617 -0.167 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000604194376 1071016546 /nfs/dbraw/zinc/01/65/46/1071016546.db2.gz LHATVGVIHSNFSA-OAHLLOKOSA-N 2 2 419.617 -0.167 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000604207211 1071018510 /nfs/dbraw/zinc/01/85/10/1071018510.db2.gz BGWUQVWOHIDXRH-INIZCTEOSA-N 2 2 406.531 -0.713 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000604207211 1071018489 /nfs/dbraw/zinc/01/84/89/1071018489.db2.gz BGWUQVWOHIDXRH-INIZCTEOSA-N 2 2 406.531 -0.713 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000604207212 1071018211 /nfs/dbraw/zinc/01/82/11/1071018211.db2.gz BGWUQVWOHIDXRH-MRXNPFEDSA-N 2 2 406.531 -0.713 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000604207212 1071018191 /nfs/dbraw/zinc/01/81/91/1071018191.db2.gz BGWUQVWOHIDXRH-MRXNPFEDSA-N 2 2 406.531 -0.713 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)CC1 ZINC000604209122 1071018120 /nfs/dbraw/zinc/01/81/20/1071018120.db2.gz LFZHAWWTEWBSFM-GOSISDBHSA-N 2 2 422.574 -0.659 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)CC1 ZINC000604209122 1071018103 /nfs/dbraw/zinc/01/81/03/1071018103.db2.gz LFZHAWWTEWBSFM-GOSISDBHSA-N 2 2 422.574 -0.659 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)CC1 ZINC000604209127 1071018803 /nfs/dbraw/zinc/01/88/03/1071018803.db2.gz LFZHAWWTEWBSFM-SFHVURJKSA-N 2 2 422.574 -0.659 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)C2)CC1 ZINC000604209127 1071018788 /nfs/dbraw/zinc/01/87/88/1071018788.db2.gz LFZHAWWTEWBSFM-SFHVURJKSA-N 2 2 422.574 -0.659 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)CC1 ZINC000604209198 1071018980 /nfs/dbraw/zinc/01/89/80/1071018980.db2.gz MEMDFBXASGZUOP-KRWDZBQOSA-N 2 2 420.558 -0.369 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)CC1 ZINC000604209198 1071018961 /nfs/dbraw/zinc/01/89/61/1071018961.db2.gz MEMDFBXASGZUOP-KRWDZBQOSA-N 2 2 420.558 -0.369 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)CC1 ZINC000604209199 1069253001 /nfs/dbraw/zinc/25/30/01/1069253001.db2.gz MEMDFBXASGZUOP-QGZVFWFLSA-N 2 2 420.558 -0.369 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2)CC1 ZINC000604209199 1069252986 /nfs/dbraw/zinc/25/29/86/1069252986.db2.gz MEMDFBXASGZUOP-QGZVFWFLSA-N 2 2 420.558 -0.369 20 0 HBADLP CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209228 1071018368 /nfs/dbraw/zinc/01/83/68/1071018368.db2.gz MJUFHOYGNGWTJH-INIZCTEOSA-N 2 2 408.547 -0.467 20 0 HBADLP CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209228 1071018347 /nfs/dbraw/zinc/01/83/47/1071018347.db2.gz MJUFHOYGNGWTJH-INIZCTEOSA-N 2 2 408.547 -0.467 20 0 HBADLP CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209236 1071018636 /nfs/dbraw/zinc/01/86/36/1071018636.db2.gz MJUFHOYGNGWTJH-MRXNPFEDSA-N 2 2 408.547 -0.467 20 0 HBADLP CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209236 1071018616 /nfs/dbraw/zinc/01/86/16/1071018616.db2.gz MJUFHOYGNGWTJH-MRXNPFEDSA-N 2 2 408.547 -0.467 20 0 HBADLP CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209762 1071019739 /nfs/dbraw/zinc/01/97/39/1071019739.db2.gz YFOHSXGFLFJTLV-HNNXBMFYSA-N 2 2 402.565 -0.712 20 0 HBADLP CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209762 1071019720 /nfs/dbraw/zinc/01/97/20/1071019720.db2.gz YFOHSXGFLFJTLV-HNNXBMFYSA-N 2 2 402.565 -0.712 20 0 HBADLP CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209763 1071019469 /nfs/dbraw/zinc/01/94/69/1071019469.db2.gz YFOHSXGFLFJTLV-OAHLLOKOSA-N 2 2 402.565 -0.712 20 0 HBADLP CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209763 1071019453 /nfs/dbraw/zinc/01/94/53/1071019453.db2.gz YFOHSXGFLFJTLV-OAHLLOKOSA-N 2 2 402.565 -0.712 20 0 HBADLP CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210122 1071019188 /nfs/dbraw/zinc/01/91/88/1071019188.db2.gz WEHRTJFSBSGRNZ-KRWDZBQOSA-N 2 2 408.547 -0.465 20 0 HBADLP CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210122 1071019168 /nfs/dbraw/zinc/01/91/68/1071019168.db2.gz WEHRTJFSBSGRNZ-KRWDZBQOSA-N 2 2 408.547 -0.465 20 0 HBADLP CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210123 1071019590 /nfs/dbraw/zinc/01/95/90/1071019590.db2.gz WEHRTJFSBSGRNZ-QGZVFWFLSA-N 2 2 408.547 -0.465 20 0 HBADLP CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604210123 1071019571 /nfs/dbraw/zinc/01/95/71/1071019571.db2.gz WEHRTJFSBSGRNZ-QGZVFWFLSA-N 2 2 408.547 -0.465 20 0 HBADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000604350907 1071025051 /nfs/dbraw/zinc/02/50/51/1071025051.db2.gz VIOBGXXZHBWGOE-MOPGFXCFSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000604350907 1071025031 /nfs/dbraw/zinc/02/50/31/1071025031.db2.gz VIOBGXXZHBWGOE-MOPGFXCFSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000604350908 1071025362 /nfs/dbraw/zinc/02/53/62/1071025362.db2.gz VIOBGXXZHBWGOE-OALUTQOASA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000604350908 1071025352 /nfs/dbraw/zinc/02/53/52/1071025352.db2.gz VIOBGXXZHBWGOE-OALUTQOASA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000604350909 1071025188 /nfs/dbraw/zinc/02/51/88/1071025188.db2.gz VIOBGXXZHBWGOE-RBUKOAKNSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000604350909 1071025180 /nfs/dbraw/zinc/02/51/80/1071025180.db2.gz VIOBGXXZHBWGOE-RBUKOAKNSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000604350910 1071025222 /nfs/dbraw/zinc/02/52/22/1071025222.db2.gz VIOBGXXZHBWGOE-RTBURBONSA-N 2 2 407.559 -0.595 20 0 HBADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000604350910 1071025215 /nfs/dbraw/zinc/02/52/15/1071025215.db2.gz VIOBGXXZHBWGOE-RTBURBONSA-N 2 2 407.559 -0.595 20 0 HBADLP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000604636913 1071032650 /nfs/dbraw/zinc/03/26/50/1071032650.db2.gz DXJNNIOGIZCZQZ-PMACEKPBSA-N 2 2 410.607 -0.036 20 0 HBADLP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000604636913 1071032640 /nfs/dbraw/zinc/03/26/40/1071032640.db2.gz DXJNNIOGIZCZQZ-PMACEKPBSA-N 2 2 410.607 -0.036 20 0 HBADLP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000604636914 1071032561 /nfs/dbraw/zinc/03/25/61/1071032561.db2.gz DXJNNIOGIZCZQZ-UXHICEINSA-N 2 2 410.607 -0.036 20 0 HBADLP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000604636914 1071032553 /nfs/dbraw/zinc/03/25/53/1071032553.db2.gz DXJNNIOGIZCZQZ-UXHICEINSA-N 2 2 410.607 -0.036 20 0 HBADLP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000604636915 1071032773 /nfs/dbraw/zinc/03/27/73/1071032773.db2.gz DXJNNIOGIZCZQZ-VQTJNVASSA-N 2 2 410.607 -0.036 20 0 HBADLP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000604636915 1071032767 /nfs/dbraw/zinc/03/27/67/1071032767.db2.gz DXJNNIOGIZCZQZ-VQTJNVASSA-N 2 2 410.607 -0.036 20 0 HBADLP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000604636916 1071032722 /nfs/dbraw/zinc/03/27/22/1071032722.db2.gz DXJNNIOGIZCZQZ-WOJBJXKFSA-N 2 2 410.607 -0.036 20 0 HBADLP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C)CC1 ZINC000604636916 1071032716 /nfs/dbraw/zinc/03/27/16/1071032716.db2.gz DXJNNIOGIZCZQZ-WOJBJXKFSA-N 2 2 410.607 -0.036 20 0 HBADLP C[NH+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000605246039 1071052509 /nfs/dbraw/zinc/05/25/09/1071052509.db2.gz QZMGNBOAAHWQRC-INIZCTEOSA-N 2 2 417.510 -0.150 20 0 HBADLP C[NH+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000605246039 1071052500 /nfs/dbraw/zinc/05/25/00/1071052500.db2.gz QZMGNBOAAHWQRC-INIZCTEOSA-N 2 2 417.510 -0.150 20 0 HBADLP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000605246039 1071052494 /nfs/dbraw/zinc/05/24/94/1071052494.db2.gz QZMGNBOAAHWQRC-INIZCTEOSA-N 2 2 417.510 -0.150 20 0 HBADLP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000605246039 1071052485 /nfs/dbraw/zinc/05/24/85/1071052485.db2.gz QZMGNBOAAHWQRC-INIZCTEOSA-N 2 2 417.510 -0.150 20 0 HBADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000605246040 1071052379 /nfs/dbraw/zinc/05/23/79/1071052379.db2.gz QZMGNBOAAHWQRC-MRXNPFEDSA-N 2 2 417.510 -0.150 20 0 HBADLP C[NH+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000605246040 1071052373 /nfs/dbraw/zinc/05/23/73/1071052373.db2.gz QZMGNBOAAHWQRC-MRXNPFEDSA-N 2 2 417.510 -0.150 20 0 HBADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000605246040 1071052368 /nfs/dbraw/zinc/05/23/68/1071052368.db2.gz QZMGNBOAAHWQRC-MRXNPFEDSA-N 2 2 417.510 -0.150 20 0 HBADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000605246040 1071052361 /nfs/dbraw/zinc/05/23/61/1071052361.db2.gz QZMGNBOAAHWQRC-MRXNPFEDSA-N 2 2 417.510 -0.150 20 0 HBADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605246193 1071052249 /nfs/dbraw/zinc/05/22/49/1071052249.db2.gz BZZZKVZBUBVZAE-UHFFFAOYSA-N 2 2 405.499 -0.293 20 0 HBADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000605246193 1071052243 /nfs/dbraw/zinc/05/22/43/1071052243.db2.gz BZZZKVZBUBVZAE-UHFFFAOYSA-N 2 2 405.499 -0.293 20 0 HBADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605246416 1071052214 /nfs/dbraw/zinc/05/22/14/1071052214.db2.gz FSRRBUUZZUKGGD-UHFFFAOYSA-N 2 2 405.499 -0.293 20 0 HBADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000605246416 1071052206 /nfs/dbraw/zinc/05/22/06/1071052206.db2.gz FSRRBUUZZUKGGD-UHFFFAOYSA-N 2 2 405.499 -0.293 20 0 HBADLP C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCCCC1 ZINC000605401006 1071065994 /nfs/dbraw/zinc/06/59/94/1071065994.db2.gz ZXZDWRMOEQNUPZ-KRWDZBQOSA-N 2 2 401.577 -0.113 20 0 HBADLP C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCCCC1 ZINC000605401007 1071065879 /nfs/dbraw/zinc/06/58/79/1071065879.db2.gz ZXZDWRMOEQNUPZ-QGZVFWFLSA-N 2 2 401.577 -0.113 20 0 HBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563259 1071075321 /nfs/dbraw/zinc/07/53/21/1071075321.db2.gz MUXSSGQLSYHFPR-IBGZPJMESA-N 2 2 408.543 -0.262 20 0 HBADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605563260 1071075507 /nfs/dbraw/zinc/07/55/07/1071075507.db2.gz MUXSSGQLSYHFPR-LJQANCHMSA-N 2 2 408.543 -0.262 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000605877478 1071080021 /nfs/dbraw/zinc/08/00/21/1071080021.db2.gz GWDBEOAGVDLMTI-GOSISDBHSA-N 2 2 422.574 -0.659 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000605877478 1071080010 /nfs/dbraw/zinc/08/00/10/1071080010.db2.gz GWDBEOAGVDLMTI-GOSISDBHSA-N 2 2 422.574 -0.659 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000605877499 1071080465 /nfs/dbraw/zinc/08/04/65/1071080465.db2.gz GWDBEOAGVDLMTI-SFHVURJKSA-N 2 2 422.574 -0.659 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000605877499 1071080453 /nfs/dbraw/zinc/08/04/53/1071080453.db2.gz GWDBEOAGVDLMTI-SFHVURJKSA-N 2 2 422.574 -0.659 20 0 HBADLP CC(=O)N1CCN(C(=O)CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000605984168 1071081484 /nfs/dbraw/zinc/08/14/84/1071081484.db2.gz XYKIZHLTRMNGOP-UHFFFAOYSA-N 2 2 410.563 -0.265 20 0 HBADLP CC(=O)N1CCN(C(=O)CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000605984168 1071081468 /nfs/dbraw/zinc/08/14/68/1071081468.db2.gz XYKIZHLTRMNGOP-UHFFFAOYSA-N 2 2 410.563 -0.265 20 0 HBADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371121 1071106780 /nfs/dbraw/zinc/10/67/80/1071106780.db2.gz TWRYSGKDISZXHJ-AWEZNQCLSA-N 2 2 414.510 -0.161 20 0 HBADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371121 1071106777 /nfs/dbraw/zinc/10/67/77/1071106777.db2.gz TWRYSGKDISZXHJ-AWEZNQCLSA-N 2 2 414.510 -0.161 20 0 HBADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371122 1071106852 /nfs/dbraw/zinc/10/68/52/1071106852.db2.gz TWRYSGKDISZXHJ-CQSZACIVSA-N 2 2 414.510 -0.161 20 0 HBADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606371122 1071106849 /nfs/dbraw/zinc/10/68/49/1071106849.db2.gz TWRYSGKDISZXHJ-CQSZACIVSA-N 2 2 414.510 -0.161 20 0 HBADLP COCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606500190 1071111166 /nfs/dbraw/zinc/11/11/66/1071111166.db2.gz DWKLQTPNASILJN-UHFFFAOYSA-N 2 2 407.519 -0.277 20 0 HBADLP COCC[N@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606500190 1071111161 /nfs/dbraw/zinc/11/11/61/1071111161.db2.gz DWKLQTPNASILJN-UHFFFAOYSA-N 2 2 407.519 -0.277 20 0 HBADLP COCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606500190 1071111154 /nfs/dbraw/zinc/11/11/54/1071111154.db2.gz DWKLQTPNASILJN-UHFFFAOYSA-N 2 2 407.519 -0.277 20 0 HBADLP COCC[N@H+](C)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606500190 1071111151 /nfs/dbraw/zinc/11/11/51/1071111151.db2.gz DWKLQTPNASILJN-UHFFFAOYSA-N 2 2 407.519 -0.277 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606511259 1071112877 /nfs/dbraw/zinc/11/28/77/1071112877.db2.gz OFYHYXRIBWUYST-KRWDZBQOSA-N 2 2 419.530 -0.135 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606511259 1071112870 /nfs/dbraw/zinc/11/28/70/1071112870.db2.gz OFYHYXRIBWUYST-KRWDZBQOSA-N 2 2 419.530 -0.135 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606511259 1071112864 /nfs/dbraw/zinc/11/28/64/1071112864.db2.gz OFYHYXRIBWUYST-KRWDZBQOSA-N 2 2 419.530 -0.135 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606511259 1071112857 /nfs/dbraw/zinc/11/28/57/1071112857.db2.gz OFYHYXRIBWUYST-KRWDZBQOSA-N 2 2 419.530 -0.135 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606511260 1071113019 /nfs/dbraw/zinc/11/30/19/1071113019.db2.gz OFYHYXRIBWUYST-QGZVFWFLSA-N 2 2 419.530 -0.135 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606511260 1071113016 /nfs/dbraw/zinc/11/30/16/1071113016.db2.gz OFYHYXRIBWUYST-QGZVFWFLSA-N 2 2 419.530 -0.135 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606511260 1071113012 /nfs/dbraw/zinc/11/30/12/1071113012.db2.gz OFYHYXRIBWUYST-QGZVFWFLSA-N 2 2 419.530 -0.135 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606511260 1071113008 /nfs/dbraw/zinc/11/30/08/1071113008.db2.gz OFYHYXRIBWUYST-QGZVFWFLSA-N 2 2 419.530 -0.135 20 0 HBADLP O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1)N1CCOCC1 ZINC000606540424 1071112111 /nfs/dbraw/zinc/11/21/11/1071112111.db2.gz NJFIXGNYKOAFER-FQEVSTJZSA-N 2 2 421.586 -0.060 20 0 HBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1)N1CCOCC1 ZINC000606540424 1071112106 /nfs/dbraw/zinc/11/21/06/1071112106.db2.gz NJFIXGNYKOAFER-FQEVSTJZSA-N 2 2 421.586 -0.060 20 0 HBADLP O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1)N1CCOCC1 ZINC000606540425 1071112972 /nfs/dbraw/zinc/11/29/72/1071112972.db2.gz NJFIXGNYKOAFER-HXUWFJFHSA-N 2 2 421.586 -0.060 20 0 HBADLP O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1)N1CCOCC1 ZINC000606540425 1071112970 /nfs/dbraw/zinc/11/29/70/1071112970.db2.gz NJFIXGNYKOAFER-HXUWFJFHSA-N 2 2 421.586 -0.060 20 0 HBADLP C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000606700773 1071115448 /nfs/dbraw/zinc/11/54/48/1071115448.db2.gz PRRBGZUVQZFJTQ-INIZCTEOSA-N 2 2 416.592 -0.464 20 0 HBADLP C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000606700774 1069294997 /nfs/dbraw/zinc/29/49/97/1069294997.db2.gz PRRBGZUVQZFJTQ-MRXNPFEDSA-N 2 2 416.592 -0.464 20 0 HBADLP C[NH+]1CCN(CC(=O)NCC2CCC(CNC(=O)CN3CC[NH+](C)CC3)CC2)CC1 ZINC000608483505 1071170111 /nfs/dbraw/zinc/17/01/11/1071170111.db2.gz IWQCKPNWTWYVLS-UHFFFAOYSA-N 2 2 422.618 -0.480 20 0 HBADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608521652 1071127122 /nfs/dbraw/zinc/12/71/22/1071127122.db2.gz MPMGRRQILGLGKY-INIZCTEOSA-N 2 2 417.510 -0.150 20 0 HBADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608521652 1071127109 /nfs/dbraw/zinc/12/71/09/1071127109.db2.gz MPMGRRQILGLGKY-INIZCTEOSA-N 2 2 417.510 -0.150 20 0 HBADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608521653 1071172584 /nfs/dbraw/zinc/17/25/84/1071172584.db2.gz MPMGRRQILGLGKY-MRXNPFEDSA-N 2 2 417.510 -0.150 20 0 HBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000608521653 1071172580 /nfs/dbraw/zinc/17/25/80/1071172580.db2.gz MPMGRRQILGLGKY-MRXNPFEDSA-N 2 2 417.510 -0.150 20 0 HBADLP Cn1ccnc(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000608685733 1071178124 /nfs/dbraw/zinc/17/81/24/1071178124.db2.gz DXNVHZZZFWSODA-INIZCTEOSA-N 2 2 403.531 -0.220 20 0 HBADLP Cn1ccnc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000608685733 1071178119 /nfs/dbraw/zinc/17/81/19/1071178119.db2.gz DXNVHZZZFWSODA-INIZCTEOSA-N 2 2 403.531 -0.220 20 0 HBADLP Cn1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000608685747 1071178008 /nfs/dbraw/zinc/17/80/08/1071178008.db2.gz DXNVHZZZFWSODA-MRXNPFEDSA-N 2 2 403.531 -0.220 20 0 HBADLP Cn1ccnc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000608685747 1071178003 /nfs/dbraw/zinc/17/80/03/1071178003.db2.gz DXNVHZZZFWSODA-MRXNPFEDSA-N 2 2 403.531 -0.220 20 0 HBADLP COCCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000608686759 1071177968 /nfs/dbraw/zinc/17/79/68/1071177968.db2.gz VMWUVZWCYYXLET-KRWDZBQOSA-N 2 2 410.563 -0.755 20 0 HBADLP COCCNC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000608686759 1071177964 /nfs/dbraw/zinc/17/79/64/1071177964.db2.gz VMWUVZWCYYXLET-KRWDZBQOSA-N 2 2 410.563 -0.755 20 0 HBADLP COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000608686760 1071178803 /nfs/dbraw/zinc/17/88/03/1071178803.db2.gz VMWUVZWCYYXLET-QGZVFWFLSA-N 2 2 410.563 -0.755 20 0 HBADLP COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000608686760 1071178796 /nfs/dbraw/zinc/17/87/96/1071178796.db2.gz VMWUVZWCYYXLET-QGZVFWFLSA-N 2 2 410.563 -0.755 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687968 1071178833 /nfs/dbraw/zinc/17/88/33/1071178833.db2.gz PHOMHQPMOJJBSI-PMACEKPBSA-N 2 2 410.607 -0.034 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687968 1071178827 /nfs/dbraw/zinc/17/88/27/1071178827.db2.gz PHOMHQPMOJJBSI-PMACEKPBSA-N 2 2 410.607 -0.034 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687975 1071178881 /nfs/dbraw/zinc/17/88/81/1071178881.db2.gz PHOMHQPMOJJBSI-UXHICEINSA-N 2 2 410.607 -0.034 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687975 1071178876 /nfs/dbraw/zinc/17/88/76/1071178876.db2.gz PHOMHQPMOJJBSI-UXHICEINSA-N 2 2 410.607 -0.034 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687976 1071178725 /nfs/dbraw/zinc/17/87/25/1071178725.db2.gz PHOMHQPMOJJBSI-VQTJNVASSA-N 2 2 410.607 -0.034 20 0 HBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687976 1071178720 /nfs/dbraw/zinc/17/87/20/1071178720.db2.gz PHOMHQPMOJJBSI-VQTJNVASSA-N 2 2 410.607 -0.034 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000608687977 1071179214 /nfs/dbraw/zinc/17/92/14/1071179214.db2.gz PHOMHQPMOJJBSI-WOJBJXKFSA-N 2 2 410.607 -0.034 20 0 HBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687977 1071179209 /nfs/dbraw/zinc/17/92/09/1071179209.db2.gz PHOMHQPMOJJBSI-WOJBJXKFSA-N 2 2 410.607 -0.034 20 0 HBADLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000608698539 1071179664 /nfs/dbraw/zinc/17/96/64/1071179664.db2.gz ROUXGWPQMUJMIY-INIZCTEOSA-N 2 2 402.565 -0.710 20 0 HBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000608698539 1071179657 /nfs/dbraw/zinc/17/96/57/1071179657.db2.gz ROUXGWPQMUJMIY-INIZCTEOSA-N 2 2 402.565 -0.710 20 0 HBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000608698548 1071179840 /nfs/dbraw/zinc/17/98/40/1071179840.db2.gz ROUXGWPQMUJMIY-MRXNPFEDSA-N 2 2 402.565 -0.710 20 0 HBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000608698548 1071179832 /nfs/dbraw/zinc/17/98/32/1071179832.db2.gz ROUXGWPQMUJMIY-MRXNPFEDSA-N 2 2 402.565 -0.710 20 0 HBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000609519314 1072065776 /nfs/dbraw/zinc/06/57/76/1072065776.db2.gz UEMCNQOCXDBROW-PMACEKPBSA-N 2 2 421.586 -0.062 20 0 HBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000609519315 1072065549 /nfs/dbraw/zinc/06/55/49/1072065549.db2.gz UEMCNQOCXDBROW-UXHICEINSA-N 2 2 421.586 -0.062 20 0 HBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000609519316 1072065477 /nfs/dbraw/zinc/06/54/77/1072065477.db2.gz UEMCNQOCXDBROW-VQTJNVASSA-N 2 2 421.586 -0.062 20 0 HBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000609519317 1072065710 /nfs/dbraw/zinc/06/57/10/1072065710.db2.gz UEMCNQOCXDBROW-WOJBJXKFSA-N 2 2 421.586 -0.062 20 0 HBADLP COCC[NH+]1CCN(c2ncnc(N3CC[NH+](CCOC)CC3)c2C(=O)OC)CC1 ZINC000610928850 1069198332 /nfs/dbraw/zinc/19/83/32/1069198332.db2.gz NBXLWABYFSMTGE-UHFFFAOYSA-N 2 2 422.530 -0.200 20 0 HBADLP COC(=O)c1c(NC[C@H]2C[NH+](C)CCN2C)ncnc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000610929149 1068604548 /nfs/dbraw/zinc/60/45/48/1068604548.db2.gz OETBDKPSVCDWKV-HOTGVXAUSA-N 2 2 420.562 -0.421 20 0 HBADLP COC(=O)c1c(NC[C@H]2C[NH+](C)CCN2C)ncnc1NC[C@H]1C[N@H+](C)CCN1C ZINC000610929149 1068604537 /nfs/dbraw/zinc/60/45/37/1068604537.db2.gz OETBDKPSVCDWKV-HOTGVXAUSA-N 2 2 420.562 -0.421 20 0 HBADLP COC(=O)c1c(NC[C@@H]2C[NH+](C)CCN2C)ncnc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000610929150 1068604455 /nfs/dbraw/zinc/60/44/55/1068604455.db2.gz OETBDKPSVCDWKV-HZPDHXFCSA-N 2 2 420.562 -0.421 20 0 HBADLP COC(=O)c1c(NC[C@@H]2C[NH+](C)CCN2C)ncnc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000610929150 1068604442 /nfs/dbraw/zinc/60/44/42/1068604442.db2.gz OETBDKPSVCDWKV-HZPDHXFCSA-N 2 2 420.562 -0.421 20 0 HBADLP COC(=O)c1c(NC[C@@H]2C[N@@H+](C)CCN2C)ncnc1NC[C@H]1C[NH+](C)CCN1C ZINC000610929151 1068604715 /nfs/dbraw/zinc/60/47/15/1068604715.db2.gz OETBDKPSVCDWKV-IYBDPMFKSA-N 2 2 420.562 -0.421 20 0 HBADLP COC(=O)c1c(NC[C@@H]2C[N@H+](C)CCN2C)ncnc1NC[C@H]1C[NH+](C)CCN1C ZINC000610929151 1068604708 /nfs/dbraw/zinc/60/47/08/1068604708.db2.gz OETBDKPSVCDWKV-IYBDPMFKSA-N 2 2 420.562 -0.421 20 0 HBADLP COC(=O)c1c(NC[C@@H]2C[NH+](C)CCN2C)ncnc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000610929151 1068604699 /nfs/dbraw/zinc/60/46/99/1068604699.db2.gz OETBDKPSVCDWKV-IYBDPMFKSA-N 2 2 420.562 -0.421 20 0 HBADLP COC(=O)c1c(NC[C@@H]2C[NH+](C)CCN2C)ncnc1NC[C@H]1C[N@H+](C)CCN1C ZINC000610929151 1068604694 /nfs/dbraw/zinc/60/46/94/1068604694.db2.gz OETBDKPSVCDWKV-IYBDPMFKSA-N 2 2 420.562 -0.421 20 0 HBADLP COC(=O)c1c(N2CC[NH+](C[C@H](C)O)CC2)ncnc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000610929461 1069198382 /nfs/dbraw/zinc/19/83/82/1069198382.db2.gz QFISQGLOCKAWFF-HOTGVXAUSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[NH+](C[C@@H](C)O)CC2)ncnc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000610929464 1069198294 /nfs/dbraw/zinc/19/82/94/1069198294.db2.gz QFISQGLOCKAWFF-HZPDHXFCSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[NH+](C[C@@H](C)O)CC2)ncnc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000610929465 1069198442 /nfs/dbraw/zinc/19/84/42/1069198442.db2.gz QFISQGLOCKAWFF-IYBDPMFKSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[NH+](CCCO)CC2)ncnc1N1CC[NH+](CCCO)CC1 ZINC000611142889 1069706840 /nfs/dbraw/zinc/70/68/40/1069706840.db2.gz QEMWGBMOMRUQIX-UHFFFAOYSA-N 2 2 422.530 -0.728 20 0 HBADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN([C@@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)CC1 ZINC000612088239 1068915584 /nfs/dbraw/zinc/91/55/84/1068915584.db2.gz INYZNYGPNXJABI-BGYRXZFFSA-N 2 2 422.618 -0.291 20 0 HBADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN([C@@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)CC1 ZINC000612088240 1068915758 /nfs/dbraw/zinc/91/57/58/1068915758.db2.gz INYZNYGPNXJABI-PMACEKPBSA-N 2 2 422.618 -0.291 20 0 HBADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN([C@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)CC1 ZINC000612088241 1068915894 /nfs/dbraw/zinc/91/58/94/1068915894.db2.gz INYZNYGPNXJABI-WOJBJXKFSA-N 2 2 422.618 -0.291 20 0 HBADLP COC(=O)c1c(N2CC[NH+]3CCOC[C@@H]3C2)ncnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000612451157 1068944777 /nfs/dbraw/zinc/94/47/77/1068944777.db2.gz IOKNRRBMCZZWEQ-HOTGVXAUSA-N 2 2 418.498 -0.695 20 0 HBADLP COC(=O)c1c(N2CC[NH+]3CCOC[C@@H]3C2)ncnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000612451157 1068944772 /nfs/dbraw/zinc/94/47/72/1068944772.db2.gz IOKNRRBMCZZWEQ-HOTGVXAUSA-N 2 2 418.498 -0.695 20 0 HBADLP COC(=O)c1c(N2CC[NH+]3CCOC[C@H]3C2)ncnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000612451169 1068944572 /nfs/dbraw/zinc/94/45/72/1068944572.db2.gz IOKNRRBMCZZWEQ-HZPDHXFCSA-N 2 2 418.498 -0.695 20 0 HBADLP COC(=O)c1c(N2CC[NH+]3CCOC[C@H]3C2)ncnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000612451169 1068944565 /nfs/dbraw/zinc/94/45/65/1068944565.db2.gz IOKNRRBMCZZWEQ-HZPDHXFCSA-N 2 2 418.498 -0.695 20 0 HBADLP COC(=O)c1c(N2CC[NH+]3CCOC[C@H]3C2)ncnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000612451172 1068944695 /nfs/dbraw/zinc/94/46/95/1068944695.db2.gz IOKNRRBMCZZWEQ-IYBDPMFKSA-N 2 2 418.498 -0.695 20 0 HBADLP COC(=O)c1c(N2CC[NH+]3CCOC[C@H]3C2)ncnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000612451172 1068944686 /nfs/dbraw/zinc/94/46/86/1068944686.db2.gz IOKNRRBMCZZWEQ-IYBDPMFKSA-N 2 2 418.498 -0.695 20 0 HBADLP COC(=O)c1c(N2CC[N@H+]3CCOC[C@H]3C2)ncnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000612451172 1068944678 /nfs/dbraw/zinc/94/46/78/1068944678.db2.gz IOKNRRBMCZZWEQ-IYBDPMFKSA-N 2 2 418.498 -0.695 20 0 HBADLP COC(=O)c1c(N2CC[N@@H+]3CCOC[C@H]3C2)ncnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000612451172 1068944669 /nfs/dbraw/zinc/94/46/69/1068944669.db2.gz IOKNRRBMCZZWEQ-IYBDPMFKSA-N 2 2 418.498 -0.695 20 0 HBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000613552359 1069017554 /nfs/dbraw/zinc/01/75/54/1069017554.db2.gz FCAJOWFCRFYQNY-BXWFABGCSA-N 2 2 400.479 -0.352 20 0 HBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000613552361 1069017526 /nfs/dbraw/zinc/01/75/26/1069017526.db2.gz FCAJOWFCRFYQNY-TXPKVOOTSA-N 2 2 400.479 -0.352 20 0 HBADLP COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613553227 1069017463 /nfs/dbraw/zinc/01/74/63/1069017463.db2.gz WCSNYZUGPJTHLD-HOTGVXAUSA-N 2 2 408.524 -0.321 20 0 HBADLP COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000613553228 1069017416 /nfs/dbraw/zinc/01/74/16/1069017416.db2.gz WCSNYZUGPJTHLD-HZPDHXFCSA-N 2 2 408.524 -0.321 20 0 HBADLP COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613553229 1069017616 /nfs/dbraw/zinc/01/76/16/1069017616.db2.gz WCSNYZUGPJTHLD-IYBDPMFKSA-N 2 2 408.524 -0.321 20 0 HBADLP COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613553229 1069017602 /nfs/dbraw/zinc/01/76/02/1069017602.db2.gz WCSNYZUGPJTHLD-IYBDPMFKSA-N 2 2 408.524 -0.321 20 0 HBADLP CS(=O)(=O)N1CCC[NH+](C/C=C\C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000613580543 1069021077 /nfs/dbraw/zinc/02/10/77/1069021077.db2.gz PJEVGAPGMJRIEP-ARJAWSKDSA-N 2 2 408.590 -0.523 20 0 HBADLP CS(=O)(=O)N1CCC[NH+](C/C=C\C[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000613580543 1069021065 /nfs/dbraw/zinc/02/10/65/1069021065.db2.gz PJEVGAPGMJRIEP-ARJAWSKDSA-N 2 2 408.590 -0.523 20 0 HBADLP CS(=O)(=O)N1CCC[NH+](C/C=C/C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000613580546 1069021477 /nfs/dbraw/zinc/02/14/77/1069021477.db2.gz PJEVGAPGMJRIEP-ONEGZZNKSA-N 2 2 408.590 -0.523 20 0 HBADLP CS(=O)(=O)N1CCC[NH+](C/C=C/C[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000613580546 1069021463 /nfs/dbraw/zinc/02/14/63/1069021463.db2.gz PJEVGAPGMJRIEP-ONEGZZNKSA-N 2 2 408.590 -0.523 20 0 HBADLP CS(=O)(=O)N[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000613634257 1069028292 /nfs/dbraw/zinc/02/82/92/1069028292.db2.gz WHQLTLUBRPHOKI-JGPFYOFESA-N 2 2 408.590 -0.430 20 0 HBADLP CS(=O)(=O)N[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000613634257 1069028280 /nfs/dbraw/zinc/02/82/80/1069028280.db2.gz WHQLTLUBRPHOKI-JGPFYOFESA-N 2 2 408.590 -0.430 20 0 HBADLP CS(=O)(=O)N[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000613634259 1069028117 /nfs/dbraw/zinc/02/81/17/1069028117.db2.gz WHQLTLUBRPHOKI-OBMMGQTPSA-N 2 2 408.590 -0.430 20 0 HBADLP CS(=O)(=O)N[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000613634259 1069028098 /nfs/dbraw/zinc/02/80/98/1069028098.db2.gz WHQLTLUBRPHOKI-OBMMGQTPSA-N 2 2 408.590 -0.430 20 0 HBADLP CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613994743 1069297809 /nfs/dbraw/zinc/29/78/09/1069297809.db2.gz BEDUPNRFLRNFPR-HDICACEKSA-N 2 2 420.535 -0.127 20 0 HBADLP CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613994743 1069297802 /nfs/dbraw/zinc/29/78/02/1069297802.db2.gz BEDUPNRFLRNFPR-HDICACEKSA-N 2 2 420.535 -0.127 20 0 HBADLP CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000613994744 1069298218 /nfs/dbraw/zinc/29/82/18/1069298218.db2.gz BEDUPNRFLRNFPR-QZTJIDSGSA-N 2 2 420.535 -0.127 20 0 HBADLP CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613994745 1069298334 /nfs/dbraw/zinc/29/83/34/1069298334.db2.gz BEDUPNRFLRNFPR-ROUUACIJSA-N 2 2 420.535 -0.127 20 0 HBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000613997295 1069303162 /nfs/dbraw/zinc/30/31/62/1069303162.db2.gz WFWVLEPAVGKOTN-KBPBESRZSA-N 2 2 414.478 -0.051 20 0 HBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000613997299 1069303914 /nfs/dbraw/zinc/30/39/14/1069303914.db2.gz WFWVLEPAVGKOTN-OKILXGFUSA-N 2 2 414.478 -0.051 20 0 HBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000613997299 1069303899 /nfs/dbraw/zinc/30/38/99/1069303899.db2.gz WFWVLEPAVGKOTN-OKILXGFUSA-N 2 2 414.478 -0.051 20 0 HBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000613997300 1069303972 /nfs/dbraw/zinc/30/39/72/1069303972.db2.gz WFWVLEPAVGKOTN-ZIAGYGMSSA-N 2 2 414.478 -0.051 20 0 HBADLP CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000613997408 1069303428 /nfs/dbraw/zinc/30/34/28/1069303428.db2.gz YANHBWTXSZOIQU-HDICACEKSA-N 2 2 420.535 -0.127 20 0 HBADLP CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000613997408 1069303415 /nfs/dbraw/zinc/30/34/15/1069303415.db2.gz YANHBWTXSZOIQU-HDICACEKSA-N 2 2 420.535 -0.127 20 0 HBADLP CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000613997410 1069303259 /nfs/dbraw/zinc/30/32/59/1069303259.db2.gz YANHBWTXSZOIQU-QZTJIDSGSA-N 2 2 420.535 -0.127 20 0 HBADLP CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000613997411 1069303491 /nfs/dbraw/zinc/30/34/91/1069303491.db2.gz YANHBWTXSZOIQU-ROUUACIJSA-N 2 2 420.535 -0.127 20 0 HBADLP COC(=O)c1c(N2CC[NH+](CCO)[C@@H](C)C2)ncnc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000614529894 1070529703 /nfs/dbraw/zinc/52/97/03/1070529703.db2.gz AEACAHBJCBCLIZ-HOTGVXAUSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[NH+](CCO)[C@@H](C)C2)ncnc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000614529894 1070529687 /nfs/dbraw/zinc/52/96/87/1070529687.db2.gz AEACAHBJCBCLIZ-HOTGVXAUSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[NH+](CCO)[C@H](C)C2)ncnc1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000614529920 1070529931 /nfs/dbraw/zinc/52/99/31/1070529931.db2.gz AEACAHBJCBCLIZ-HZPDHXFCSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[NH+](CCO)[C@H](C)C2)ncnc1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000614529920 1070529920 /nfs/dbraw/zinc/52/99/20/1070529920.db2.gz AEACAHBJCBCLIZ-HZPDHXFCSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[NH+](CCO)[C@H](C)C2)ncnc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000614529922 1070531695 /nfs/dbraw/zinc/53/16/95/1070531695.db2.gz AEACAHBJCBCLIZ-IYBDPMFKSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[NH+](CCO)[C@H](C)C2)ncnc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000614529922 1070531686 /nfs/dbraw/zinc/53/16/86/1070531686.db2.gz AEACAHBJCBCLIZ-IYBDPMFKSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[N@@H+](CCO)[C@H](C)C2)ncnc1N1CC[NH+](CCO)[C@@H](C)C1 ZINC000614529922 1070531676 /nfs/dbraw/zinc/53/16/76/1070531676.db2.gz AEACAHBJCBCLIZ-IYBDPMFKSA-N 2 2 422.530 -0.731 20 0 HBADLP COC(=O)c1c(N2CC[N@H+](CCO)[C@H](C)C2)ncnc1N1CC[NH+](CCO)[C@@H](C)C1 ZINC000614529922 1070531665 /nfs/dbraw/zinc/53/16/65/1070531665.db2.gz AEACAHBJCBCLIZ-IYBDPMFKSA-N 2 2 422.530 -0.731 20 0 HBADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCC1 ZINC000616115723 1069125581 /nfs/dbraw/zinc/12/55/81/1069125581.db2.gz GYCWIMYJQMEUMX-KRWDZBQOSA-N 2 2 416.592 -0.462 20 0 HBADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCC1 ZINC000616115730 1072098952 /nfs/dbraw/zinc/09/89/52/1072098952.db2.gz GYCWIMYJQMEUMX-QGZVFWFLSA-N 2 2 416.592 -0.462 20 0 HBADLP COc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000620758086 1072165569 /nfs/dbraw/zinc/16/55/69/1072165569.db2.gz NAULRWVKJIBPTH-UHFFFAOYSA-N 2 2 420.510 -0.204 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)CC1 ZINC000622903400 1072194428 /nfs/dbraw/zinc/19/44/28/1072194428.db2.gz KYFCBQBIEJSJMV-GOSISDBHSA-N 2 2 421.586 -0.158 20 0 HBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)CC1 ZINC000622903401 1072194552 /nfs/dbraw/zinc/19/45/52/1072194552.db2.gz KYFCBQBIEJSJMV-SFHVURJKSA-N 2 2 421.586 -0.158 20 0 HBADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647666682 1069026119 /nfs/dbraw/zinc/02/61/19/1069026119.db2.gz VQZSTELKNIMHAX-OALUTQOASA-N 2 2 408.543 -0.120 20 0 HBADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000647764073 1069300855 /nfs/dbraw/zinc/30/08/55/1069300855.db2.gz QEFSODIKNATXEY-ZWKOTPCHSA-N 2 2 408.543 -0.121 20 0 HBADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000647764073 1069300835 /nfs/dbraw/zinc/30/08/35/1069300835.db2.gz QEFSODIKNATXEY-ZWKOTPCHSA-N 2 2 408.543 -0.121 20 0 HBADLP O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000669624995 1070972119 /nfs/dbraw/zinc/97/21/19/1070972119.db2.gz RRVUGFMOHQMEBZ-GASCZTMLSA-N 2 2 420.601 -0.311 20 0 HBADLP O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000669624995 1070972113 /nfs/dbraw/zinc/97/21/13/1070972113.db2.gz RRVUGFMOHQMEBZ-GASCZTMLSA-N 2 2 420.601 -0.311 20 0 HBADLP O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000669624995 1070972106 /nfs/dbraw/zinc/97/21/06/1070972106.db2.gz RRVUGFMOHQMEBZ-GASCZTMLSA-N 2 2 420.601 -0.311 20 0 HBADLP O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000669624995 1070972101 /nfs/dbraw/zinc/97/21/01/1070972101.db2.gz RRVUGFMOHQMEBZ-GASCZTMLSA-N 2 2 420.601 -0.311 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000670436045 1069415639 /nfs/dbraw/zinc/41/56/39/1069415639.db2.gz UCDNWMRGZALACS-KRWDZBQOSA-N 2 2 405.543 -0.258 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000670436045 1069415635 /nfs/dbraw/zinc/41/56/35/1069415635.db2.gz UCDNWMRGZALACS-KRWDZBQOSA-N 2 2 405.543 -0.258 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000670436046 1071846426 /nfs/dbraw/zinc/84/64/26/1071846426.db2.gz UCDNWMRGZALACS-QGZVFWFLSA-N 2 2 405.543 -0.258 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000670436046 1071846415 /nfs/dbraw/zinc/84/64/15/1071846415.db2.gz UCDNWMRGZALACS-QGZVFWFLSA-N 2 2 405.543 -0.258 20 0 HBADLP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670623598 1072014942 /nfs/dbraw/zinc/01/49/42/1072014942.db2.gz BOKONRMCEWSGQJ-AZUAARDMSA-N 2 2 417.554 -0.244 20 0 HBADLP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670623598 1072014930 /nfs/dbraw/zinc/01/49/30/1072014930.db2.gz BOKONRMCEWSGQJ-AZUAARDMSA-N 2 2 417.554 -0.244 20 0 HBADLP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670623599 1072015253 /nfs/dbraw/zinc/01/52/53/1072015253.db2.gz BOKONRMCEWSGQJ-ICSRJNTNSA-N 2 2 417.554 -0.244 20 0 HBADLP C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670623599 1072015243 /nfs/dbraw/zinc/01/52/43/1072015243.db2.gz BOKONRMCEWSGQJ-ICSRJNTNSA-N 2 2 417.554 -0.244 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670623600 1072015337 /nfs/dbraw/zinc/01/53/37/1072015337.db2.gz BOKONRMCEWSGQJ-QUCCMNQESA-N 2 2 417.554 -0.244 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670623600 1072015324 /nfs/dbraw/zinc/01/53/24/1072015324.db2.gz BOKONRMCEWSGQJ-QUCCMNQESA-N 2 2 417.554 -0.244 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000670623601 1072015083 /nfs/dbraw/zinc/01/50/83/1072015083.db2.gz BOKONRMCEWSGQJ-UYAOXDASSA-N 2 2 417.554 -0.244 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000670623601 1072015072 /nfs/dbraw/zinc/01/50/72/1072015072.db2.gz BOKONRMCEWSGQJ-UYAOXDASSA-N 2 2 417.554 -0.244 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2)CC1 ZINC000670775144 1072095055 /nfs/dbraw/zinc/09/50/55/1072095055.db2.gz ORRNWKFERDJFKQ-INIZCTEOSA-N 2 2 417.558 -0.052 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2)CC1 ZINC000670775144 1072095052 /nfs/dbraw/zinc/09/50/52/1072095052.db2.gz ORRNWKFERDJFKQ-INIZCTEOSA-N 2 2 417.558 -0.052 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2)CC1 ZINC000670775145 1072094824 /nfs/dbraw/zinc/09/48/24/1072094824.db2.gz ORRNWKFERDJFKQ-MRXNPFEDSA-N 2 2 417.558 -0.052 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3nnc4n3CCCCC4)C2)CC1 ZINC000670775145 1072094810 /nfs/dbraw/zinc/09/48/10/1072094810.db2.gz ORRNWKFERDJFKQ-MRXNPFEDSA-N 2 2 417.558 -0.052 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670786712 1072096769 /nfs/dbraw/zinc/09/67/69/1072096769.db2.gz KORZPRMCQPNEQC-DOTOQJQBSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[N@H+](C)CCO1 ZINC000670786712 1072096761 /nfs/dbraw/zinc/09/67/61/1072096761.db2.gz KORZPRMCQPNEQC-DOTOQJQBSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670786713 1072096498 /nfs/dbraw/zinc/09/64/98/1072096498.db2.gz KORZPRMCQPNEQC-NVXWUHKLSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1C[N@H+](C)CCO1 ZINC000670786713 1072096485 /nfs/dbraw/zinc/09/64/85/1072096485.db2.gz KORZPRMCQPNEQC-NVXWUHKLSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670786714 1068981375 /nfs/dbraw/zinc/98/13/75/1068981375.db2.gz KORZPRMCQPNEQC-RDJZCZTQSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670786714 1068981356 /nfs/dbraw/zinc/98/13/56/1068981356.db2.gz KORZPRMCQPNEQC-RDJZCZTQSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670786715 1068982347 /nfs/dbraw/zinc/98/23/47/1068982347.db2.gz KORZPRMCQPNEQC-WBVHZDCISA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670786715 1068982336 /nfs/dbraw/zinc/98/23/36/1068982336.db2.gz KORZPRMCQPNEQC-WBVHZDCISA-N 2 2 404.515 -0.715 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000670814266 1072104153 /nfs/dbraw/zinc/10/41/53/1072104153.db2.gz ZPRVYEXODVYNPW-MOPGFXCFSA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000670814266 1072104150 /nfs/dbraw/zinc/10/41/50/1072104150.db2.gz ZPRVYEXODVYNPW-MOPGFXCFSA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000670814267 1072104019 /nfs/dbraw/zinc/10/40/19/1072104019.db2.gz ZPRVYEXODVYNPW-OALUTQOASA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000670814267 1072104014 /nfs/dbraw/zinc/10/40/14/1072104014.db2.gz ZPRVYEXODVYNPW-OALUTQOASA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000670814268 1072104103 /nfs/dbraw/zinc/10/41/03/1072104103.db2.gz ZPRVYEXODVYNPW-RBUKOAKNSA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000670814268 1072104099 /nfs/dbraw/zinc/10/40/99/1072104099.db2.gz ZPRVYEXODVYNPW-RBUKOAKNSA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000670814269 1069237546 /nfs/dbraw/zinc/23/75/46/1069237546.db2.gz ZPRVYEXODVYNPW-RTBURBONSA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000670814269 1069237530 /nfs/dbraw/zinc/23/75/30/1069237530.db2.gz ZPRVYEXODVYNPW-RTBURBONSA-N 2 2 409.575 -0.302 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000670833483 1072110880 /nfs/dbraw/zinc/11/08/80/1072110880.db2.gz ZHPIPBCNLRWEAZ-PMACEKPBSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000670833483 1072110875 /nfs/dbraw/zinc/11/08/75/1072110875.db2.gz ZHPIPBCNLRWEAZ-PMACEKPBSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000670833484 1072110936 /nfs/dbraw/zinc/11/09/36/1072110936.db2.gz ZHPIPBCNLRWEAZ-UXHICEINSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000670833484 1072110934 /nfs/dbraw/zinc/11/09/34/1072110934.db2.gz ZHPIPBCNLRWEAZ-UXHICEINSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000670833485 1072111031 /nfs/dbraw/zinc/11/10/31/1072111031.db2.gz ZHPIPBCNLRWEAZ-VQTJNVASSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000670833485 1072111026 /nfs/dbraw/zinc/11/10/26/1072111026.db2.gz ZHPIPBCNLRWEAZ-VQTJNVASSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000670833486 1072111105 /nfs/dbraw/zinc/11/11/05/1072111105.db2.gz ZHPIPBCNLRWEAZ-WOJBJXKFSA-N 2 2 422.618 -0.387 20 0 HBADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000670833486 1072111103 /nfs/dbraw/zinc/11/11/03/1072111103.db2.gz ZHPIPBCNLRWEAZ-WOJBJXKFSA-N 2 2 422.618 -0.387 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000670846059 1072117150 /nfs/dbraw/zinc/11/71/50/1072117150.db2.gz FCRQIHOZXUBNBO-INIZCTEOSA-N 2 2 422.551 -0.009 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000670846059 1072117148 /nfs/dbraw/zinc/11/71/48/1072117148.db2.gz FCRQIHOZXUBNBO-INIZCTEOSA-N 2 2 422.551 -0.009 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000670846060 1072117057 /nfs/dbraw/zinc/11/70/57/1072117057.db2.gz FCRQIHOZXUBNBO-MRXNPFEDSA-N 2 2 422.551 -0.009 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000670846060 1072117055 /nfs/dbraw/zinc/11/70/55/1072117055.db2.gz FCRQIHOZXUBNBO-MRXNPFEDSA-N 2 2 422.551 -0.009 20 0 HBADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000670889218 1072125459 /nfs/dbraw/zinc/12/54/59/1072125459.db2.gz QTLUAKXNUIKONC-GOSISDBHSA-N 2 2 401.511 -0.099 20 0 HBADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000670889218 1072125456 /nfs/dbraw/zinc/12/54/56/1072125456.db2.gz QTLUAKXNUIKONC-GOSISDBHSA-N 2 2 401.511 -0.099 20 0 HBADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000670889219 1072125914 /nfs/dbraw/zinc/12/59/14/1072125914.db2.gz QTLUAKXNUIKONC-SFHVURJKSA-N 2 2 401.511 -0.099 20 0 HBADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000670889219 1072125910 /nfs/dbraw/zinc/12/59/10/1072125910.db2.gz QTLUAKXNUIKONC-SFHVURJKSA-N 2 2 401.511 -0.099 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000670892349 1072126894 /nfs/dbraw/zinc/12/68/94/1072126894.db2.gz WPSZPOFTOMTIPI-DOTOQJQBSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000670892349 1072126892 /nfs/dbraw/zinc/12/68/92/1072126892.db2.gz WPSZPOFTOMTIPI-DOTOQJQBSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000670892350 1072126882 /nfs/dbraw/zinc/12/68/82/1072126882.db2.gz WPSZPOFTOMTIPI-NVXWUHKLSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000670892350 1072126880 /nfs/dbraw/zinc/12/68/80/1072126880.db2.gz WPSZPOFTOMTIPI-NVXWUHKLSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670892351 1072126830 /nfs/dbraw/zinc/12/68/30/1072126830.db2.gz WPSZPOFTOMTIPI-RDJZCZTQSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000670892351 1072126827 /nfs/dbraw/zinc/12/68/27/1072126827.db2.gz WPSZPOFTOMTIPI-RDJZCZTQSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670892352 1072126789 /nfs/dbraw/zinc/12/67/89/1072126789.db2.gz WPSZPOFTOMTIPI-WBVHZDCISA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000670892352 1072126786 /nfs/dbraw/zinc/12/67/86/1072126786.db2.gz WPSZPOFTOMTIPI-WBVHZDCISA-N 2 2 404.515 -0.715 20 0 HBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cn2)CC1 ZINC000670959929 1072132877 /nfs/dbraw/zinc/13/28/77/1072132877.db2.gz AVJULCVCFFJUST-AEFFLSMTSA-N 2 2 418.542 -0.325 20 0 HBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cn2)CC1 ZINC000670959929 1072132869 /nfs/dbraw/zinc/13/28/69/1072132869.db2.gz AVJULCVCFFJUST-AEFFLSMTSA-N 2 2 418.542 -0.325 20 0 HBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cn2)CC1 ZINC000670959930 1072132896 /nfs/dbraw/zinc/13/28/96/1072132896.db2.gz AVJULCVCFFJUST-FUHWJXTLSA-N 2 2 418.542 -0.325 20 0 HBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cn2)CC1 ZINC000670959930 1072132890 /nfs/dbraw/zinc/13/28/90/1072132890.db2.gz AVJULCVCFFJUST-FUHWJXTLSA-N 2 2 418.542 -0.325 20 0 HBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cn2)CC1 ZINC000670959931 1072132768 /nfs/dbraw/zinc/13/27/68/1072132768.db2.gz AVJULCVCFFJUST-SJLPKXTDSA-N 2 2 418.542 -0.325 20 0 HBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cn2)CC1 ZINC000670959931 1072132762 /nfs/dbraw/zinc/13/27/62/1072132762.db2.gz AVJULCVCFFJUST-SJLPKXTDSA-N 2 2 418.542 -0.325 20 0 HBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cn2)CC1 ZINC000670959932 1072132817 /nfs/dbraw/zinc/13/28/17/1072132817.db2.gz AVJULCVCFFJUST-WMZOPIPTSA-N 2 2 418.542 -0.325 20 0 HBADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cn2)CC1 ZINC000670959932 1072132815 /nfs/dbraw/zinc/13/28/15/1072132815.db2.gz AVJULCVCFFJUST-WMZOPIPTSA-N 2 2 418.542 -0.325 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000670977801 1072136529 /nfs/dbraw/zinc/13/65/29/1072136529.db2.gz KPIHLOIUDMUQPA-INIZCTEOSA-N 2 2 402.499 -0.788 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000670977801 1072136528 /nfs/dbraw/zinc/13/65/28/1072136528.db2.gz KPIHLOIUDMUQPA-INIZCTEOSA-N 2 2 402.499 -0.788 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000670977802 1072136485 /nfs/dbraw/zinc/13/64/85/1072136485.db2.gz KPIHLOIUDMUQPA-MRXNPFEDSA-N 2 2 402.499 -0.788 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000670977802 1072136482 /nfs/dbraw/zinc/13/64/82/1072136482.db2.gz KPIHLOIUDMUQPA-MRXNPFEDSA-N 2 2 402.499 -0.788 20 0 HBADLP CN(C(=O)C(=O)NCCNC(=O)c1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670977815 1072136502 /nfs/dbraw/zinc/13/65/02/1072136502.db2.gz PFBNACBWGSXFKK-GOSISDBHSA-N 2 2 416.526 -0.446 20 0 HBADLP CN(C(=O)C(=O)NCCNC(=O)c1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670977815 1072136500 /nfs/dbraw/zinc/13/65/00/1072136500.db2.gz PFBNACBWGSXFKK-GOSISDBHSA-N 2 2 416.526 -0.446 20 0 HBADLP CN(C(=O)C(=O)NCCNC(=O)c1cccnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670977816 1072136468 /nfs/dbraw/zinc/13/64/68/1072136468.db2.gz PFBNACBWGSXFKK-SFHVURJKSA-N 2 2 416.526 -0.446 20 0 HBADLP CN(C(=O)C(=O)NCCNC(=O)c1cccnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670977816 1072136465 /nfs/dbraw/zinc/13/64/65/1072136465.db2.gz PFBNACBWGSXFKK-SFHVURJKSA-N 2 2 416.526 -0.446 20 0 HBADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000670984292 1072137450 /nfs/dbraw/zinc/13/74/50/1072137450.db2.gz RCCLCHZYSWQBKG-HNNXBMFYSA-N 2 2 414.514 -0.140 20 0 HBADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000670984292 1072137445 /nfs/dbraw/zinc/13/74/45/1072137445.db2.gz RCCLCHZYSWQBKG-HNNXBMFYSA-N 2 2 414.514 -0.140 20 0 HBADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000670984293 1072137549 /nfs/dbraw/zinc/13/75/49/1072137549.db2.gz RCCLCHZYSWQBKG-OAHLLOKOSA-N 2 2 414.514 -0.140 20 0 HBADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000670984293 1072137546 /nfs/dbraw/zinc/13/75/46/1072137546.db2.gz RCCLCHZYSWQBKG-OAHLLOKOSA-N 2 2 414.514 -0.140 20 0 HBADLP C[C@H](NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670992147 1072138101 /nfs/dbraw/zinc/13/81/01/1072138101.db2.gz ZDMRCQLOUCUXES-DFQSSKMNSA-N 2 2 417.554 -0.073 20 0 HBADLP C[C@H](NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000670992147 1072138098 /nfs/dbraw/zinc/13/80/98/1072138098.db2.gz ZDMRCQLOUCUXES-DFQSSKMNSA-N 2 2 417.554 -0.073 20 0 HBADLP C[C@H](NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670992148 1072138057 /nfs/dbraw/zinc/13/80/57/1072138057.db2.gz ZDMRCQLOUCUXES-IHPCNDPISA-N 2 2 417.554 -0.073 20 0 HBADLP C[C@H](NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670992148 1072138053 /nfs/dbraw/zinc/13/80/53/1072138053.db2.gz ZDMRCQLOUCUXES-IHPCNDPISA-N 2 2 417.554 -0.073 20 0 HBADLP C[C@H](NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670992149 1072138209 /nfs/dbraw/zinc/13/82/09/1072138209.db2.gz ZDMRCQLOUCUXES-SXLOBPIMSA-N 2 2 417.554 -0.073 20 0 HBADLP C[C@H](NC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670992149 1072138202 /nfs/dbraw/zinc/13/82/02/1072138202.db2.gz ZDMRCQLOUCUXES-SXLOBPIMSA-N 2 2 417.554 -0.073 20 0 HBADLP C[C@H](NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670992150 1072138183 /nfs/dbraw/zinc/13/81/83/1072138183.db2.gz ZDMRCQLOUCUXES-YSIASYRMSA-N 2 2 417.554 -0.073 20 0 HBADLP C[C@H](NC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000670992150 1072138181 /nfs/dbraw/zinc/13/81/81/1072138181.db2.gz ZDMRCQLOUCUXES-YSIASYRMSA-N 2 2 417.554 -0.073 20 0 HBADLP CNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671016175 1072143660 /nfs/dbraw/zinc/14/36/60/1072143660.db2.gz NXQNNAOXCPJOOV-KRWDZBQOSA-N 2 2 401.511 -0.053 20 0 HBADLP CNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671016175 1072143653 /nfs/dbraw/zinc/14/36/53/1072143653.db2.gz NXQNNAOXCPJOOV-KRWDZBQOSA-N 2 2 401.511 -0.053 20 0 HBADLP CNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671016176 1072143736 /nfs/dbraw/zinc/14/37/36/1072143736.db2.gz NXQNNAOXCPJOOV-QGZVFWFLSA-N 2 2 401.511 -0.053 20 0 HBADLP CNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671016176 1072143731 /nfs/dbraw/zinc/14/37/31/1072143731.db2.gz NXQNNAOXCPJOOV-QGZVFWFLSA-N 2 2 401.511 -0.053 20 0 HBADLP CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671031998 1072151663 /nfs/dbraw/zinc/15/16/63/1072151663.db2.gz QVUPVEWERRVJEQ-IBGZPJMESA-N 2 2 409.575 -0.158 20 0 HBADLP CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671031999 1072151613 /nfs/dbraw/zinc/15/16/13/1072151613.db2.gz QVUPVEWERRVJEQ-LJQANCHMSA-N 2 2 409.575 -0.158 20 0 HBADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000671033653 1072152556 /nfs/dbraw/zinc/15/25/56/1072152556.db2.gz SJLZMLPCBPSPET-SFHVURJKSA-N 2 2 409.575 -0.158 20 0 HBADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000671033653 1072152554 /nfs/dbraw/zinc/15/25/54/1072152554.db2.gz SJLZMLPCBPSPET-SFHVURJKSA-N 2 2 409.575 -0.158 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000671060262 1072157884 /nfs/dbraw/zinc/15/78/84/1072157884.db2.gz GOFKDRSTWALLMP-AWEZNQCLSA-N 2 2 421.567 -0.063 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000671060262 1072157874 /nfs/dbraw/zinc/15/78/74/1072157874.db2.gz GOFKDRSTWALLMP-AWEZNQCLSA-N 2 2 421.567 -0.063 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000671060263 1072157948 /nfs/dbraw/zinc/15/79/48/1072157948.db2.gz GOFKDRSTWALLMP-CQSZACIVSA-N 2 2 421.567 -0.063 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000671060263 1072157945 /nfs/dbraw/zinc/15/79/45/1072157945.db2.gz GOFKDRSTWALLMP-CQSZACIVSA-N 2 2 421.567 -0.063 20 0 HBADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC1 ZINC000671060278 1072157791 /nfs/dbraw/zinc/15/77/91/1072157791.db2.gz KSJBJKSICLXVDK-UHFFFAOYSA-N 2 2 416.526 -0.067 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671106063 1072169626 /nfs/dbraw/zinc/16/96/26/1072169626.db2.gz YBXXTHAMVLVYHA-CABCVRRESA-N 2 2 412.498 -0.245 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671106063 1072169623 /nfs/dbraw/zinc/16/96/23/1072169623.db2.gz YBXXTHAMVLVYHA-CABCVRRESA-N 2 2 412.498 -0.245 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671106064 1072169645 /nfs/dbraw/zinc/16/96/45/1072169645.db2.gz YBXXTHAMVLVYHA-GJZGRUSLSA-N 2 2 412.498 -0.245 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671106064 1072169639 /nfs/dbraw/zinc/16/96/39/1072169639.db2.gz YBXXTHAMVLVYHA-GJZGRUSLSA-N 2 2 412.498 -0.245 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671106065 1072169414 /nfs/dbraw/zinc/16/94/14/1072169414.db2.gz YBXXTHAMVLVYHA-HUUCEWRRSA-N 2 2 412.498 -0.245 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671106065 1072169407 /nfs/dbraw/zinc/16/94/07/1072169407.db2.gz YBXXTHAMVLVYHA-HUUCEWRRSA-N 2 2 412.498 -0.245 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671106066 1072169491 /nfs/dbraw/zinc/16/94/91/1072169491.db2.gz YBXXTHAMVLVYHA-LSDHHAIUSA-N 2 2 412.498 -0.245 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671106066 1072169486 /nfs/dbraw/zinc/16/94/86/1072169486.db2.gz YBXXTHAMVLVYHA-LSDHHAIUSA-N 2 2 412.498 -0.245 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000671123218 1072172388 /nfs/dbraw/zinc/17/23/88/1072172388.db2.gz ZZJQMYSVHHSGFZ-KRWDZBQOSA-N 2 2 407.559 -0.010 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000671123218 1072172383 /nfs/dbraw/zinc/17/23/83/1072172383.db2.gz ZZJQMYSVHHSGFZ-KRWDZBQOSA-N 2 2 407.559 -0.010 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000671123218 1072172377 /nfs/dbraw/zinc/17/23/77/1072172377.db2.gz ZZJQMYSVHHSGFZ-KRWDZBQOSA-N 2 2 407.559 -0.010 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000671123218 1072172373 /nfs/dbraw/zinc/17/23/73/1072172373.db2.gz ZZJQMYSVHHSGFZ-KRWDZBQOSA-N 2 2 407.559 -0.010 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000671123219 1072172152 /nfs/dbraw/zinc/17/21/52/1072172152.db2.gz ZZJQMYSVHHSGFZ-QGZVFWFLSA-N 2 2 407.559 -0.010 20 0 HBADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000671123219 1072172145 /nfs/dbraw/zinc/17/21/45/1072172145.db2.gz ZZJQMYSVHHSGFZ-QGZVFWFLSA-N 2 2 407.559 -0.010 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000671123219 1072172141 /nfs/dbraw/zinc/17/21/41/1072172141.db2.gz ZZJQMYSVHHSGFZ-QGZVFWFLSA-N 2 2 407.559 -0.010 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000671123219 1072172131 /nfs/dbraw/zinc/17/21/31/1072172131.db2.gz ZZJQMYSVHHSGFZ-QGZVFWFLSA-N 2 2 407.559 -0.010 20 0 HBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671133423 1072172956 /nfs/dbraw/zinc/17/29/56/1072172956.db2.gz ACTCUYBBBHDZTL-HNNXBMFYSA-N 2 2 417.576 -0.941 20 0 HBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671133423 1072172948 /nfs/dbraw/zinc/17/29/48/1072172948.db2.gz ACTCUYBBBHDZTL-HNNXBMFYSA-N 2 2 417.576 -0.941 20 0 HBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671133428 1072173096 /nfs/dbraw/zinc/17/30/96/1072173096.db2.gz ACTCUYBBBHDZTL-OAHLLOKOSA-N 2 2 417.576 -0.941 20 0 HBADLP CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671133428 1072173094 /nfs/dbraw/zinc/17/30/94/1072173094.db2.gz ACTCUYBBBHDZTL-OAHLLOKOSA-N 2 2 417.576 -0.941 20 0 HBADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000671171386 1072181475 /nfs/dbraw/zinc/18/14/75/1072181475.db2.gz LEINVAKUHMUOSZ-MOPGFXCFSA-N 2 2 411.591 -0.151 20 0 HBADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000671171387 1072181629 /nfs/dbraw/zinc/18/16/29/1072181629.db2.gz LEINVAKUHMUOSZ-OALUTQOASA-N 2 2 411.591 -0.151 20 0 HBADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000671171388 1072181329 /nfs/dbraw/zinc/18/13/29/1072181329.db2.gz LEINVAKUHMUOSZ-RBUKOAKNSA-N 2 2 411.591 -0.151 20 0 HBADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000671171389 1072181570 /nfs/dbraw/zinc/18/15/70/1072181570.db2.gz LEINVAKUHMUOSZ-RTBURBONSA-N 2 2 411.591 -0.151 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178895 1072183508 /nfs/dbraw/zinc/18/35/08/1072183508.db2.gz JKGDWQQYSCXRFE-DLBZAZTESA-N 2 2 415.542 -0.154 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178895 1072183506 /nfs/dbraw/zinc/18/35/06/1072183506.db2.gz JKGDWQQYSCXRFE-DLBZAZTESA-N 2 2 415.542 -0.154 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178896 1072183526 /nfs/dbraw/zinc/18/35/26/1072183526.db2.gz JKGDWQQYSCXRFE-IAGOWNOFSA-N 2 2 415.542 -0.154 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178896 1072183524 /nfs/dbraw/zinc/18/35/24/1072183524.db2.gz JKGDWQQYSCXRFE-IAGOWNOFSA-N 2 2 415.542 -0.154 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178897 1072183486 /nfs/dbraw/zinc/18/34/86/1072183486.db2.gz JKGDWQQYSCXRFE-IRXDYDNUSA-N 2 2 415.542 -0.154 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178897 1072183484 /nfs/dbraw/zinc/18/34/84/1072183484.db2.gz JKGDWQQYSCXRFE-IRXDYDNUSA-N 2 2 415.542 -0.154 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178898 1072183516 /nfs/dbraw/zinc/18/35/16/1072183516.db2.gz JKGDWQQYSCXRFE-SJORKVTESA-N 2 2 415.542 -0.154 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)CC1 ZINC000671178898 1072183515 /nfs/dbraw/zinc/18/35/15/1072183515.db2.gz JKGDWQQYSCXRFE-SJORKVTESA-N 2 2 415.542 -0.154 20 0 HBADLP CCN(CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362451 1068970349 /nfs/dbraw/zinc/97/03/49/1068970349.db2.gz BIXZAWNWOZJIEQ-HNNXBMFYSA-N 2 2 417.576 -0.941 20 0 HBADLP CCN(CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362451 1068970341 /nfs/dbraw/zinc/97/03/41/1068970341.db2.gz BIXZAWNWOZJIEQ-HNNXBMFYSA-N 2 2 417.576 -0.941 20 0 HBADLP CCN(CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362452 1069170726 /nfs/dbraw/zinc/17/07/26/1069170726.db2.gz BIXZAWNWOZJIEQ-OAHLLOKOSA-N 2 2 417.576 -0.941 20 0 HBADLP CCN(CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000671362452 1069170723 /nfs/dbraw/zinc/17/07/23/1069170723.db2.gz BIXZAWNWOZJIEQ-OAHLLOKOSA-N 2 2 417.576 -0.941 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000671389914 1068975582 /nfs/dbraw/zinc/97/55/82/1068975582.db2.gz KKLFUPYTZCAEOX-INIZCTEOSA-N 2 2 417.510 -0.548 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000671389914 1068975575 /nfs/dbraw/zinc/97/55/75/1068975575.db2.gz KKLFUPYTZCAEOX-INIZCTEOSA-N 2 2 417.510 -0.548 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000671389915 1068975339 /nfs/dbraw/zinc/97/53/39/1068975339.db2.gz KKLFUPYTZCAEOX-MRXNPFEDSA-N 2 2 417.510 -0.548 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000671389915 1068975320 /nfs/dbraw/zinc/97/53/20/1068975320.db2.gz KKLFUPYTZCAEOX-MRXNPFEDSA-N 2 2 417.510 -0.548 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000671849645 1069123200 /nfs/dbraw/zinc/12/32/00/1069123200.db2.gz STRNYHSJKCCIKC-UHFFFAOYSA-N 2 2 414.514 -0.140 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671869738 1069127009 /nfs/dbraw/zinc/12/70/09/1069127009.db2.gz AVTAHMWOVOJHDL-DOTOQJQBSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671869738 1069127003 /nfs/dbraw/zinc/12/70/03/1069127003.db2.gz AVTAHMWOVOJHDL-DOTOQJQBSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671869739 1069127131 /nfs/dbraw/zinc/12/71/31/1069127131.db2.gz AVTAHMWOVOJHDL-NVXWUHKLSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000671869739 1069127129 /nfs/dbraw/zinc/12/71/29/1069127129.db2.gz AVTAHMWOVOJHDL-NVXWUHKLSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671869740 1069127048 /nfs/dbraw/zinc/12/70/48/1069127048.db2.gz AVTAHMWOVOJHDL-RDJZCZTQSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671869740 1069127042 /nfs/dbraw/zinc/12/70/42/1069127042.db2.gz AVTAHMWOVOJHDL-RDJZCZTQSA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671869741 1069126957 /nfs/dbraw/zinc/12/69/57/1069126957.db2.gz AVTAHMWOVOJHDL-WBVHZDCISA-N 2 2 404.515 -0.715 20 0 HBADLP C[C@@H](NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671869741 1069126950 /nfs/dbraw/zinc/12/69/50/1069126950.db2.gz AVTAHMWOVOJHDL-WBVHZDCISA-N 2 2 404.515 -0.715 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671980810 1069140784 /nfs/dbraw/zinc/14/07/84/1069140784.db2.gz LSSFVLRSTDGUGR-GOSISDBHSA-N 2 2 401.511 -0.178 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671980810 1069140778 /nfs/dbraw/zinc/14/07/78/1069140778.db2.gz LSSFVLRSTDGUGR-GOSISDBHSA-N 2 2 401.511 -0.178 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671980811 1069140938 /nfs/dbraw/zinc/14/09/38/1069140938.db2.gz LSSFVLRSTDGUGR-SFHVURJKSA-N 2 2 401.511 -0.178 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671980811 1069140931 /nfs/dbraw/zinc/14/09/31/1069140931.db2.gz LSSFVLRSTDGUGR-SFHVURJKSA-N 2 2 401.511 -0.178 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000671980836 1069140686 /nfs/dbraw/zinc/14/06/86/1069140686.db2.gz OJBZPWQNGOBEFG-DLBZAZTESA-N 2 2 409.531 -0.987 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000671980836 1069140680 /nfs/dbraw/zinc/14/06/80/1069140680.db2.gz OJBZPWQNGOBEFG-DLBZAZTESA-N 2 2 409.531 -0.987 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000671980837 1069140988 /nfs/dbraw/zinc/14/09/88/1069140988.db2.gz OJBZPWQNGOBEFG-IAGOWNOFSA-N 2 2 409.531 -0.987 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000671980837 1069140986 /nfs/dbraw/zinc/14/09/86/1069140986.db2.gz OJBZPWQNGOBEFG-IAGOWNOFSA-N 2 2 409.531 -0.987 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000671980838 1069140866 /nfs/dbraw/zinc/14/08/66/1069140866.db2.gz OJBZPWQNGOBEFG-IRXDYDNUSA-N 2 2 409.531 -0.987 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000671980838 1069140863 /nfs/dbraw/zinc/14/08/63/1069140863.db2.gz OJBZPWQNGOBEFG-IRXDYDNUSA-N 2 2 409.531 -0.987 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000671980839 1069141029 /nfs/dbraw/zinc/14/10/29/1069141029.db2.gz OJBZPWQNGOBEFG-SJORKVTESA-N 2 2 409.531 -0.987 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000671980839 1069141025 /nfs/dbraw/zinc/14/10/25/1069141025.db2.gz OJBZPWQNGOBEFG-SJORKVTESA-N 2 2 409.531 -0.987 20 0 HBADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981078 1069143213 /nfs/dbraw/zinc/14/32/13/1069143213.db2.gz JKZJWYZZBACVQN-AEFFLSMTSA-N 2 2 401.511 -0.007 20 0 HBADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981078 1069143206 /nfs/dbraw/zinc/14/32/06/1069143206.db2.gz JKZJWYZZBACVQN-AEFFLSMTSA-N 2 2 401.511 -0.007 20 0 HBADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981078 1069143202 /nfs/dbraw/zinc/14/32/02/1069143202.db2.gz JKZJWYZZBACVQN-AEFFLSMTSA-N 2 2 401.511 -0.007 20 0 HBADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981078 1069143196 /nfs/dbraw/zinc/14/31/96/1069143196.db2.gz JKZJWYZZBACVQN-AEFFLSMTSA-N 2 2 401.511 -0.007 20 0 HBADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981079 1069143379 /nfs/dbraw/zinc/14/33/79/1069143379.db2.gz JKZJWYZZBACVQN-FUHWJXTLSA-N 2 2 401.511 -0.007 20 0 HBADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981079 1069143377 /nfs/dbraw/zinc/14/33/77/1069143377.db2.gz JKZJWYZZBACVQN-FUHWJXTLSA-N 2 2 401.511 -0.007 20 0 HBADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981079 1069143373 /nfs/dbraw/zinc/14/33/73/1069143373.db2.gz JKZJWYZZBACVQN-FUHWJXTLSA-N 2 2 401.511 -0.007 20 0 HBADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981079 1069143368 /nfs/dbraw/zinc/14/33/68/1069143368.db2.gz JKZJWYZZBACVQN-FUHWJXTLSA-N 2 2 401.511 -0.007 20 0 HBADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981080 1069144311 /nfs/dbraw/zinc/14/43/11/1069144311.db2.gz JKZJWYZZBACVQN-SJLPKXTDSA-N 2 2 401.511 -0.007 20 0 HBADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981080 1069144308 /nfs/dbraw/zinc/14/43/08/1069144308.db2.gz JKZJWYZZBACVQN-SJLPKXTDSA-N 2 2 401.511 -0.007 20 0 HBADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981080 1069144305 /nfs/dbraw/zinc/14/43/05/1069144305.db2.gz JKZJWYZZBACVQN-SJLPKXTDSA-N 2 2 401.511 -0.007 20 0 HBADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981080 1069144300 /nfs/dbraw/zinc/14/43/00/1069144300.db2.gz JKZJWYZZBACVQN-SJLPKXTDSA-N 2 2 401.511 -0.007 20 0 HBADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981081 1069144211 /nfs/dbraw/zinc/14/42/11/1069144211.db2.gz JKZJWYZZBACVQN-WMZOPIPTSA-N 2 2 401.511 -0.007 20 0 HBADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981081 1069144206 /nfs/dbraw/zinc/14/42/06/1069144206.db2.gz JKZJWYZZBACVQN-WMZOPIPTSA-N 2 2 401.511 -0.007 20 0 HBADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981081 1069144201 /nfs/dbraw/zinc/14/42/01/1069144201.db2.gz JKZJWYZZBACVQN-WMZOPIPTSA-N 2 2 401.511 -0.007 20 0 HBADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981081 1069144193 /nfs/dbraw/zinc/14/41/93/1069144193.db2.gz JKZJWYZZBACVQN-WMZOPIPTSA-N 2 2 401.511 -0.007 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000671981142 1069144325 /nfs/dbraw/zinc/14/43/25/1069144325.db2.gz GXCBNLZZNNHJMB-CVEARBPZSA-N 2 2 402.499 -0.520 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000671981142 1069144324 /nfs/dbraw/zinc/14/43/24/1069144324.db2.gz GXCBNLZZNNHJMB-CVEARBPZSA-N 2 2 402.499 -0.520 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000671981143 1069144131 /nfs/dbraw/zinc/14/41/31/1069144131.db2.gz GXCBNLZZNNHJMB-HOTGVXAUSA-N 2 2 402.499 -0.520 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000671981143 1069144122 /nfs/dbraw/zinc/14/41/22/1069144122.db2.gz GXCBNLZZNNHJMB-HOTGVXAUSA-N 2 2 402.499 -0.520 20 0 HBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000671981144 1069144092 /nfs/dbraw/zinc/14/40/92/1069144092.db2.gz GXCBNLZZNNHJMB-HZPDHXFCSA-N 2 2 402.499 -0.520 20 0 HBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000671981144 1069144083 /nfs/dbraw/zinc/14/40/83/1069144083.db2.gz GXCBNLZZNNHJMB-HZPDHXFCSA-N 2 2 402.499 -0.520 20 0 HBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000671981145 1069144341 /nfs/dbraw/zinc/14/43/41/1069144341.db2.gz GXCBNLZZNNHJMB-JKSUJKDBSA-N 2 2 402.499 -0.520 20 0 HBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000671981145 1069144339 /nfs/dbraw/zinc/14/43/39/1069144339.db2.gz GXCBNLZZNNHJMB-JKSUJKDBSA-N 2 2 402.499 -0.520 20 0 HBADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000671995553 1069147310 /nfs/dbraw/zinc/14/73/10/1069147310.db2.gz ZMSBXXCYLNUBIZ-DLBZAZTESA-N 2 2 416.526 -0.165 20 0 HBADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000671995553 1069147298 /nfs/dbraw/zinc/14/72/98/1069147298.db2.gz ZMSBXXCYLNUBIZ-DLBZAZTESA-N 2 2 416.526 -0.165 20 0 HBADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000671995554 1069147333 /nfs/dbraw/zinc/14/73/33/1069147333.db2.gz ZMSBXXCYLNUBIZ-IAGOWNOFSA-N 2 2 416.526 -0.165 20 0 HBADLP 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C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000672514075 1069244776 /nfs/dbraw/zinc/24/47/76/1069244776.db2.gz CKEBWHHLRZSNPU-NVXWUHKLSA-N 2 2 404.515 -0.039 20 0 HBADLP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000672514076 1069244654 /nfs/dbraw/zinc/24/46/54/1069244654.db2.gz CKEBWHHLRZSNPU-RDJZCZTQSA-N 2 2 404.515 -0.039 20 0 HBADLP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000672514077 1069244277 /nfs/dbraw/zinc/24/42/77/1069244277.db2.gz CKEBWHHLRZSNPU-WBVHZDCISA-N 2 2 404.515 -0.039 20 0 HBADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)C1 ZINC000672598414 1069250033 /nfs/dbraw/zinc/25/00/33/1069250033.db2.gz GJPPOMSDLMHAOV-SLFFLAALSA-N 2 2 421.586 -0.016 20 0 HBADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)C1 ZINC000672598414 1069250019 /nfs/dbraw/zinc/25/00/19/1069250019.db2.gz GJPPOMSDLMHAOV-SLFFLAALSA-N 2 2 421.586 -0.016 20 0 HBADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)C1 ZINC000672598415 1069250370 /nfs/dbraw/zinc/25/03/70/1069250370.db2.gz GJPPOMSDLMHAOV-UFYCRDLUSA-N 2 2 421.586 -0.016 20 0 HBADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)C1 ZINC000672598415 1069250361 /nfs/dbraw/zinc/25/03/61/1069250361.db2.gz GJPPOMSDLMHAOV-UFYCRDLUSA-N 2 2 421.586 -0.016 20 0 HBADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)C1 ZINC000672598416 1069250486 /nfs/dbraw/zinc/25/04/86/1069250486.db2.gz GJPPOMSDLMHAOV-XUVXKRRUSA-N 2 2 421.586 -0.016 20 0 HBADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)C1 ZINC000672598416 1069250478 /nfs/dbraw/zinc/25/04/78/1069250478.db2.gz GJPPOMSDLMHAOV-XUVXKRRUSA-N 2 2 421.586 -0.016 20 0 HBADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)C1 ZINC000672598417 1069250216 /nfs/dbraw/zinc/25/02/16/1069250216.db2.gz GJPPOMSDLMHAOV-ZCNNSNEGSA-N 2 2 421.586 -0.016 20 0 HBADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)C1 ZINC000672598417 1069250203 /nfs/dbraw/zinc/25/02/03/1069250203.db2.gz GJPPOMSDLMHAOV-ZCNNSNEGSA-N 2 2 421.586 -0.016 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625598 1069251599 /nfs/dbraw/zinc/25/15/99/1069251599.db2.gz KEHFNYGPSBRVPP-GXTWGEPZSA-N 2 2 419.448 -0.450 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625598 1069251591 /nfs/dbraw/zinc/25/15/91/1069251591.db2.gz KEHFNYGPSBRVPP-GXTWGEPZSA-N 2 2 419.448 -0.450 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625599 1069252162 /nfs/dbraw/zinc/25/21/62/1069252162.db2.gz KEHFNYGPSBRVPP-JSGCOSHPSA-N 2 2 419.448 -0.450 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625599 1069252153 /nfs/dbraw/zinc/25/21/53/1069252153.db2.gz KEHFNYGPSBRVPP-JSGCOSHPSA-N 2 2 419.448 -0.450 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625600 1069252258 /nfs/dbraw/zinc/25/22/58/1069252258.db2.gz KEHFNYGPSBRVPP-OCCSQVGLSA-N 2 2 419.448 -0.450 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625600 1069252251 /nfs/dbraw/zinc/25/22/51/1069252251.db2.gz KEHFNYGPSBRVPP-OCCSQVGLSA-N 2 2 419.448 -0.450 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625602 1069252469 /nfs/dbraw/zinc/25/24/69/1069252469.db2.gz KEHFNYGPSBRVPP-TZMCWYRMSA-N 2 2 419.448 -0.450 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672625602 1069252454 /nfs/dbraw/zinc/25/24/54/1069252454.db2.gz KEHFNYGPSBRVPP-TZMCWYRMSA-N 2 2 419.448 -0.450 20 0 HBADLP Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637313 1069253394 /nfs/dbraw/zinc/25/33/94/1069253394.db2.gz DTERHOUNEPQJNZ-KRWDZBQOSA-N 2 2 415.542 -0.282 20 0 HBADLP Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637313 1069253381 /nfs/dbraw/zinc/25/33/81/1069253381.db2.gz DTERHOUNEPQJNZ-KRWDZBQOSA-N 2 2 415.542 -0.282 20 0 HBADLP Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637314 1069253493 /nfs/dbraw/zinc/25/34/93/1069253493.db2.gz DTERHOUNEPQJNZ-QGZVFWFLSA-N 2 2 415.542 -0.282 20 0 HBADLP Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672637314 1069253483 /nfs/dbraw/zinc/25/34/83/1069253483.db2.gz DTERHOUNEPQJNZ-QGZVFWFLSA-N 2 2 415.542 -0.282 20 0 HBADLP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)CC1 ZINC000672637831 1069255894 /nfs/dbraw/zinc/25/58/94/1069255894.db2.gz FIWWXHBOTGJYDD-MSOLQXFVSA-N 2 2 407.559 -0.548 20 0 HBADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)CC1 ZINC000672637832 1069255686 /nfs/dbraw/zinc/25/56/86/1069255686.db2.gz FIWWXHBOTGJYDD-QZTJIDSGSA-N 2 2 407.559 -0.548 20 0 HBADLP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672637833 1069255212 /nfs/dbraw/zinc/25/52/12/1069255212.db2.gz FIWWXHBOTGJYDD-ROUUACIJSA-N 2 2 407.559 -0.548 20 0 HBADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)CC1 ZINC000672637834 1069254905 /nfs/dbraw/zinc/25/49/05/1069254905.db2.gz FIWWXHBOTGJYDD-ZWKOTPCHSA-N 2 2 407.559 -0.548 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254639 /nfs/dbraw/zinc/25/46/39/1069254639.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 3 2 408.591 -0.587 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254632 /nfs/dbraw/zinc/25/46/32/1069254632.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 3 2 408.591 -0.587 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254623 /nfs/dbraw/zinc/25/46/23/1069254623.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 3 2 408.591 -0.587 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254618 /nfs/dbraw/zinc/25/46/18/1069254618.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 3 2 408.591 -0.587 20 0 HBADLP CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637978 1069254396 /nfs/dbraw/zinc/25/43/96/1069254396.db2.gz BNBUMQRLUMZTEY-GOSISDBHSA-N 2 2 415.538 -0.010 20 0 HBADLP CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637978 1069254385 /nfs/dbraw/zinc/25/43/85/1069254385.db2.gz BNBUMQRLUMZTEY-GOSISDBHSA-N 2 2 415.538 -0.010 20 0 HBADLP CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637979 1069255817 /nfs/dbraw/zinc/25/58/17/1069255817.db2.gz BNBUMQRLUMZTEY-SFHVURJKSA-N 2 2 415.538 -0.010 20 0 HBADLP CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637979 1069255808 /nfs/dbraw/zinc/25/58/08/1069255808.db2.gz BNBUMQRLUMZTEY-SFHVURJKSA-N 2 2 415.538 -0.010 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255788 /nfs/dbraw/zinc/25/57/88/1069255788.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 3 2 408.591 -0.587 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255782 /nfs/dbraw/zinc/25/57/82/1069255782.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 3 2 408.591 -0.587 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255776 /nfs/dbraw/zinc/25/57/76/1069255776.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 3 2 408.591 -0.587 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255769 /nfs/dbraw/zinc/25/57/69/1069255769.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 3 2 408.591 -0.587 20 0 HBADLP Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)no1 ZINC000672637981 1069254987 /nfs/dbraw/zinc/25/49/87/1069254987.db2.gz BPFWRAXKFDBHRH-KRWDZBQOSA-N 2 2 418.542 -0.088 20 0 HBADLP Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)no1 ZINC000672637981 1069254979 /nfs/dbraw/zinc/25/49/79/1069254979.db2.gz BPFWRAXKFDBHRH-KRWDZBQOSA-N 2 2 418.542 -0.088 20 0 HBADLP Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)no1 ZINC000672637983 1069255966 /nfs/dbraw/zinc/25/59/66/1069255966.db2.gz BPFWRAXKFDBHRH-QGZVFWFLSA-N 2 2 418.542 -0.088 20 0 HBADLP Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)no1 ZINC000672637983 1069255952 /nfs/dbraw/zinc/25/59/52/1069255952.db2.gz BPFWRAXKFDBHRH-QGZVFWFLSA-N 2 2 418.542 -0.088 20 0 HBADLP COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638012 1069256051 /nfs/dbraw/zinc/25/60/51/1069256051.db2.gz COHFGHHHMCYRBR-INIZCTEOSA-N 2 2 406.531 -0.320 20 0 HBADLP COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638012 1069256033 /nfs/dbraw/zinc/25/60/33/1069256033.db2.gz COHFGHHHMCYRBR-INIZCTEOSA-N 2 2 406.531 -0.320 20 0 HBADLP COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638013 1069255258 /nfs/dbraw/zinc/25/52/58/1069255258.db2.gz COHFGHHHMCYRBR-MRXNPFEDSA-N 2 2 406.531 -0.320 20 0 HBADLP COCCN(Cc1ccnn1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638013 1069255253 /nfs/dbraw/zinc/25/52/53/1069255253.db2.gz COHFGHHHMCYRBR-MRXNPFEDSA-N 2 2 406.531 -0.320 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000672638254 1069254200 /nfs/dbraw/zinc/25/42/00/1069254200.db2.gz CSPDRDXRMMZRQF-AEFFLSMTSA-N 2 2 421.542 -0.879 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000672638254 1069254190 /nfs/dbraw/zinc/25/41/90/1069254190.db2.gz CSPDRDXRMMZRQF-AEFFLSMTSA-N 2 2 421.542 -0.879 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000672638259 1069254010 /nfs/dbraw/zinc/25/40/10/1069254010.db2.gz CSPDRDXRMMZRQF-FUHWJXTLSA-N 2 2 421.542 -0.879 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000672638259 1069254005 /nfs/dbraw/zinc/25/40/05/1069254005.db2.gz CSPDRDXRMMZRQF-FUHWJXTLSA-N 2 2 421.542 -0.879 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000672638260 1069254493 /nfs/dbraw/zinc/25/44/93/1069254493.db2.gz CSPDRDXRMMZRQF-SJLPKXTDSA-N 2 2 421.542 -0.879 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)CC1 ZINC000672638260 1069254483 /nfs/dbraw/zinc/25/44/83/1069254483.db2.gz CSPDRDXRMMZRQF-SJLPKXTDSA-N 2 2 421.542 -0.879 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000672638261 1069254048 /nfs/dbraw/zinc/25/40/48/1069254048.db2.gz CSPDRDXRMMZRQF-WMZOPIPTSA-N 2 2 421.542 -0.879 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)CC1 ZINC000672638261 1069254037 /nfs/dbraw/zinc/25/40/37/1069254037.db2.gz CSPDRDXRMMZRQF-WMZOPIPTSA-N 2 2 421.542 -0.879 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000672638406 1069254541 /nfs/dbraw/zinc/25/45/41/1069254541.db2.gz GSAFYFZJXGLRBV-CYBMUJFWSA-N 2 2 422.559 -0.946 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000672638406 1069254534 /nfs/dbraw/zinc/25/45/34/1069254534.db2.gz GSAFYFZJXGLRBV-CYBMUJFWSA-N 2 2 422.559 -0.946 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000672638413 1069254270 /nfs/dbraw/zinc/25/42/70/1069254270.db2.gz GSAFYFZJXGLRBV-ZDUSSCGKSA-N 2 2 422.559 -0.946 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)C2)CC1 ZINC000672638413 1069254255 /nfs/dbraw/zinc/25/42/55/1069254255.db2.gz GSAFYFZJXGLRBV-ZDUSSCGKSA-N 2 2 422.559 -0.946 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000672638601 1069255363 /nfs/dbraw/zinc/25/53/63/1069255363.db2.gz SXWCIHVITVNCAB-INIZCTEOSA-N 2 2 407.559 -0.012 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000672638601 1069255352 /nfs/dbraw/zinc/25/53/52/1069255352.db2.gz SXWCIHVITVNCAB-INIZCTEOSA-N 2 2 407.559 -0.012 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000672638602 1069255099 /nfs/dbraw/zinc/25/50/99/1069255099.db2.gz SXWCIHVITVNCAB-MRXNPFEDSA-N 2 2 407.559 -0.012 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000672638602 1069255090 /nfs/dbraw/zinc/25/50/90/1069255090.db2.gz SXWCIHVITVNCAB-MRXNPFEDSA-N 2 2 407.559 -0.012 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638859 1069258438 /nfs/dbraw/zinc/25/84/38/1069258438.db2.gz ZIKYDHKAVXSPDN-AEFFLSMTSA-N 2 2 405.543 -0.116 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638859 1069258432 /nfs/dbraw/zinc/25/84/32/1069258432.db2.gz ZIKYDHKAVXSPDN-AEFFLSMTSA-N 2 2 405.543 -0.116 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638860 1069257455 /nfs/dbraw/zinc/25/74/55/1069257455.db2.gz ZIKYDHKAVXSPDN-FUHWJXTLSA-N 2 2 405.543 -0.116 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638860 1069257449 /nfs/dbraw/zinc/25/74/49/1069257449.db2.gz ZIKYDHKAVXSPDN-FUHWJXTLSA-N 2 2 405.543 -0.116 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638861 1069258505 /nfs/dbraw/zinc/25/85/05/1069258505.db2.gz ZIKYDHKAVXSPDN-SJLPKXTDSA-N 2 2 405.543 -0.116 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638861 1069258490 /nfs/dbraw/zinc/25/84/90/1069258490.db2.gz ZIKYDHKAVXSPDN-SJLPKXTDSA-N 2 2 405.543 -0.116 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638862 1069258568 /nfs/dbraw/zinc/25/85/68/1069258568.db2.gz ZIKYDHKAVXSPDN-WMZOPIPTSA-N 2 2 405.543 -0.116 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000672638862 1069258556 /nfs/dbraw/zinc/25/85/56/1069258556.db2.gz ZIKYDHKAVXSPDN-WMZOPIPTSA-N 2 2 405.543 -0.116 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2)CC1 ZINC000672638903 1069257658 /nfs/dbraw/zinc/25/76/58/1069257658.db2.gz VVFZAARNFQAWNM-KRWDZBQOSA-N 2 2 403.531 -0.199 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2)CC1 ZINC000672638903 1069257646 /nfs/dbraw/zinc/25/76/46/1069257646.db2.gz VVFZAARNFQAWNM-KRWDZBQOSA-N 2 2 403.531 -0.199 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2)CC1 ZINC000672638904 1069257774 /nfs/dbraw/zinc/25/77/74/1069257774.db2.gz VVFZAARNFQAWNM-QGZVFWFLSA-N 2 2 403.531 -0.199 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)C2)CC1 ZINC000672638904 1069257763 /nfs/dbraw/zinc/25/77/63/1069257763.db2.gz VVFZAARNFQAWNM-QGZVFWFLSA-N 2 2 403.531 -0.199 20 0 HBADLP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639118 1069258277 /nfs/dbraw/zinc/25/82/77/1069258277.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 3 2 409.575 -0.424 20 0 HBADLP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639118 1069258268 /nfs/dbraw/zinc/25/82/68/1069258268.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 3 2 409.575 -0.424 20 0 HBADLP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639118 1069258259 /nfs/dbraw/zinc/25/82/59/1069258259.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 3 2 409.575 -0.424 20 0 HBADLP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639118 1069258254 /nfs/dbraw/zinc/25/82/54/1069258254.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 3 2 409.575 -0.424 20 0 HBADLP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639119 1069258129 /nfs/dbraw/zinc/25/81/29/1069258129.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 3 2 409.575 -0.424 20 0 HBADLP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639119 1069258118 /nfs/dbraw/zinc/25/81/18/1069258118.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 3 2 409.575 -0.424 20 0 HBADLP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639119 1069258106 /nfs/dbraw/zinc/25/81/06/1069258106.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 3 2 409.575 -0.424 20 0 HBADLP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639119 1069258098 /nfs/dbraw/zinc/25/80/98/1069258098.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 3 2 409.575 -0.424 20 0 HBADLP Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000672639250 1069257089 /nfs/dbraw/zinc/25/70/89/1069257089.db2.gz JWXYTOFMTUANIL-KRWDZBQOSA-N 2 2 418.542 -0.088 20 0 HBADLP Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000672639250 1069257084 /nfs/dbraw/zinc/25/70/84/1069257084.db2.gz JWXYTOFMTUANIL-KRWDZBQOSA-N 2 2 418.542 -0.088 20 0 HBADLP Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000672639251 1069256817 /nfs/dbraw/zinc/25/68/17/1069256817.db2.gz JWXYTOFMTUANIL-QGZVFWFLSA-N 2 2 418.542 -0.088 20 0 HBADLP Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000672639251 1069256809 /nfs/dbraw/zinc/25/68/09/1069256809.db2.gz JWXYTOFMTUANIL-QGZVFWFLSA-N 2 2 418.542 -0.088 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)CC1 ZINC000672639271 1069257062 /nfs/dbraw/zinc/25/70/62/1069257062.db2.gz LAZAGTUTINGWKX-INIZCTEOSA-N 2 2 417.510 -0.151 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)CC1 ZINC000672639271 1069257058 /nfs/dbraw/zinc/25/70/58/1069257058.db2.gz LAZAGTUTINGWKX-INIZCTEOSA-N 2 2 417.510 -0.151 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)CC1 ZINC000672639274 1069256407 /nfs/dbraw/zinc/25/64/07/1069256407.db2.gz LAZAGTUTINGWKX-MRXNPFEDSA-N 2 2 417.510 -0.151 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)CC1 ZINC000672639274 1069256401 /nfs/dbraw/zinc/25/64/01/1069256401.db2.gz LAZAGTUTINGWKX-MRXNPFEDSA-N 2 2 417.510 -0.151 20 0 HBADLP CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639276 1069257185 /nfs/dbraw/zinc/25/71/85/1069257185.db2.gz LKTMPPZKSKRMBQ-KRWDZBQOSA-N 2 2 407.559 -0.012 20 0 HBADLP CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639276 1069257176 /nfs/dbraw/zinc/25/71/76/1069257176.db2.gz LKTMPPZKSKRMBQ-KRWDZBQOSA-N 2 2 407.559 -0.012 20 0 HBADLP CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639278 1069256934 /nfs/dbraw/zinc/25/69/34/1069256934.db2.gz LKTMPPZKSKRMBQ-QGZVFWFLSA-N 2 2 407.559 -0.012 20 0 HBADLP CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672639278 1069256922 /nfs/dbraw/zinc/25/69/22/1069256922.db2.gz LKTMPPZKSKRMBQ-QGZVFWFLSA-N 2 2 407.559 -0.012 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000672639280 1069256684 /nfs/dbraw/zinc/25/66/84/1069256684.db2.gz KOXACRSLXKHCLR-INIZCTEOSA-N 2 2 401.515 -0.590 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000672639280 1069256673 /nfs/dbraw/zinc/25/66/73/1069256673.db2.gz KOXACRSLXKHCLR-INIZCTEOSA-N 2 2 401.515 -0.590 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000672639283 1069256442 /nfs/dbraw/zinc/25/64/42/1069256442.db2.gz KOXACRSLXKHCLR-MRXNPFEDSA-N 2 2 401.515 -0.590 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000672639283 1069256436 /nfs/dbraw/zinc/25/64/36/1069256436.db2.gz KOXACRSLXKHCLR-MRXNPFEDSA-N 2 2 401.515 -0.590 20 0 HBADLP CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639408 1069256551 /nfs/dbraw/zinc/25/65/51/1069256551.db2.gz BZXMKMPQYOHXMQ-AWEZNQCLSA-N 2 2 406.531 -0.108 20 0 HBADLP CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639408 1069256545 /nfs/dbraw/zinc/25/65/45/1069256545.db2.gz BZXMKMPQYOHXMQ-AWEZNQCLSA-N 2 2 406.531 -0.108 20 0 HBADLP CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639410 1069257015 /nfs/dbraw/zinc/25/70/15/1069257015.db2.gz BZXMKMPQYOHXMQ-CQSZACIVSA-N 2 2 406.531 -0.108 20 0 HBADLP CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639410 1069257006 /nfs/dbraw/zinc/25/70/06/1069257006.db2.gz BZXMKMPQYOHXMQ-CQSZACIVSA-N 2 2 406.531 -0.108 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255197 /nfs/dbraw/zinc/25/51/97/1069255197.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255193 /nfs/dbraw/zinc/25/51/93/1069255193.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255178 /nfs/dbraw/zinc/25/51/78/1069255178.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255170 /nfs/dbraw/zinc/25/51/70/1069255170.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255663 /nfs/dbraw/zinc/25/56/63/1069255663.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255651 /nfs/dbraw/zinc/25/56/51/1069255651.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255636 /nfs/dbraw/zinc/25/56/36/1069255636.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255623 /nfs/dbraw/zinc/25/56/23/1069255623.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255881 /nfs/dbraw/zinc/25/58/81/1069255881.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255875 /nfs/dbraw/zinc/25/58/75/1069255875.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255866 /nfs/dbraw/zinc/25/58/66/1069255866.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255863 /nfs/dbraw/zinc/25/58/63/1069255863.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255492 /nfs/dbraw/zinc/25/54/92/1069255492.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255484 /nfs/dbraw/zinc/25/54/84/1069255484.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255470 /nfs/dbraw/zinc/25/54/70/1069255470.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[NH+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255457 /nfs/dbraw/zinc/25/54/57/1069255457.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 3 2 420.602 -0.491 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639486 1069256758 /nfs/dbraw/zinc/25/67/58/1069256758.db2.gz OAQJIVMILNNNGC-CVEARBPZSA-N 2 2 406.531 -0.666 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639486 1069256742 /nfs/dbraw/zinc/25/67/42/1069256742.db2.gz OAQJIVMILNNNGC-CVEARBPZSA-N 2 2 406.531 -0.666 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639487 1069257144 /nfs/dbraw/zinc/25/71/44/1069257144.db2.gz OAQJIVMILNNNGC-HOTGVXAUSA-N 2 2 406.531 -0.666 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639487 1069257136 /nfs/dbraw/zinc/25/71/36/1069257136.db2.gz OAQJIVMILNNNGC-HOTGVXAUSA-N 2 2 406.531 -0.666 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639488 1069256497 /nfs/dbraw/zinc/25/64/97/1069256497.db2.gz OAQJIVMILNNNGC-HZPDHXFCSA-N 2 2 406.531 -0.666 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639488 1069256485 /nfs/dbraw/zinc/25/64/85/1069256485.db2.gz OAQJIVMILNNNGC-HZPDHXFCSA-N 2 2 406.531 -0.666 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639489 1069256972 /nfs/dbraw/zinc/25/69/72/1069256972.db2.gz OAQJIVMILNNNGC-JKSUJKDBSA-N 2 2 406.531 -0.666 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC000672639489 1069256964 /nfs/dbraw/zinc/25/69/64/1069256964.db2.gz OAQJIVMILNNNGC-JKSUJKDBSA-N 2 2 406.531 -0.666 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000672639698 1069259400 /nfs/dbraw/zinc/25/94/00/1069259400.db2.gz OBGQPOLUIOFCDS-INIZCTEOSA-N 2 2 422.574 -0.077 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000672639698 1069259388 /nfs/dbraw/zinc/25/93/88/1069259388.db2.gz OBGQPOLUIOFCDS-INIZCTEOSA-N 2 2 422.574 -0.077 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000672639700 1069259733 /nfs/dbraw/zinc/25/97/33/1069259733.db2.gz OBGQPOLUIOFCDS-MRXNPFEDSA-N 2 2 422.574 -0.077 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000672639700 1069259717 /nfs/dbraw/zinc/25/97/17/1069259717.db2.gz OBGQPOLUIOFCDS-MRXNPFEDSA-N 2 2 422.574 -0.077 20 0 HBADLP Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639936 1069259082 /nfs/dbraw/zinc/25/90/82/1069259082.db2.gz PEZMITDLSMJCEK-DLBZAZTESA-N 2 2 417.558 -0.210 20 0 HBADLP Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639936 1069259067 /nfs/dbraw/zinc/25/90/67/1069259067.db2.gz PEZMITDLSMJCEK-DLBZAZTESA-N 2 2 417.558 -0.210 20 0 HBADLP Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639941 1069259171 /nfs/dbraw/zinc/25/91/71/1069259171.db2.gz PEZMITDLSMJCEK-IAGOWNOFSA-N 2 2 417.558 -0.210 20 0 HBADLP Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639941 1069259154 /nfs/dbraw/zinc/25/91/54/1069259154.db2.gz PEZMITDLSMJCEK-IAGOWNOFSA-N 2 2 417.558 -0.210 20 0 HBADLP Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639943 1069259488 /nfs/dbraw/zinc/25/94/88/1069259488.db2.gz PEZMITDLSMJCEK-IRXDYDNUSA-N 2 2 417.558 -0.210 20 0 HBADLP Cn1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639943 1069259479 /nfs/dbraw/zinc/25/94/79/1069259479.db2.gz PEZMITDLSMJCEK-IRXDYDNUSA-N 2 2 417.558 -0.210 20 0 HBADLP Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639945 1069258862 /nfs/dbraw/zinc/25/88/62/1069258862.db2.gz PEZMITDLSMJCEK-SJORKVTESA-N 2 2 417.558 -0.210 20 0 HBADLP Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)cn1 ZINC000672639945 1069258856 /nfs/dbraw/zinc/25/88/56/1069258856.db2.gz PEZMITDLSMJCEK-SJORKVTESA-N 2 2 417.558 -0.210 20 0 HBADLP CN(C)c1ncc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640029 1069257603 /nfs/dbraw/zinc/25/76/03/1069257603.db2.gz GLMREEBVVKOHAS-INIZCTEOSA-N 2 2 403.531 -0.214 20 0 HBADLP CN(C)c1ncc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640029 1069257586 /nfs/dbraw/zinc/25/75/86/1069257586.db2.gz GLMREEBVVKOHAS-INIZCTEOSA-N 2 2 403.531 -0.214 20 0 HBADLP CN(C)c1ncc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640030 1069257717 /nfs/dbraw/zinc/25/77/17/1069257717.db2.gz GLMREEBVVKOHAS-MRXNPFEDSA-N 2 2 403.531 -0.214 20 0 HBADLP CN(C)c1ncc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672640030 1069257703 /nfs/dbraw/zinc/25/77/03/1069257703.db2.gz GLMREEBVVKOHAS-MRXNPFEDSA-N 2 2 403.531 -0.214 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000672640298 1069257957 /nfs/dbraw/zinc/25/79/57/1069257957.db2.gz VJHOLJWQRWZZFU-GFCCVEGCSA-N 2 2 405.421 -0.538 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000672640298 1069257947 /nfs/dbraw/zinc/25/79/47/1069257947.db2.gz VJHOLJWQRWZZFU-GFCCVEGCSA-N 2 2 405.421 -0.538 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000672640306 1069257898 /nfs/dbraw/zinc/25/78/98/1069257898.db2.gz VJHOLJWQRWZZFU-LBPRGKRZSA-N 2 2 405.421 -0.538 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)CC1 ZINC000672640306 1069257885 /nfs/dbraw/zinc/25/78/85/1069257885.db2.gz VJHOLJWQRWZZFU-LBPRGKRZSA-N 2 2 405.421 -0.538 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640368 1069258186 /nfs/dbraw/zinc/25/81/86/1069258186.db2.gz BTYKXABBYLESPE-DOTOQJQBSA-N 2 2 409.531 -0.975 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640368 1069258176 /nfs/dbraw/zinc/25/81/76/1069258176.db2.gz BTYKXABBYLESPE-DOTOQJQBSA-N 2 2 409.531 -0.975 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640369 1069258318 /nfs/dbraw/zinc/25/83/18/1069258318.db2.gz BTYKXABBYLESPE-NVXWUHKLSA-N 2 2 409.531 -0.975 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640369 1069258310 /nfs/dbraw/zinc/25/83/10/1069258310.db2.gz BTYKXABBYLESPE-NVXWUHKLSA-N 2 2 409.531 -0.975 20 0 HBADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640370 1069258382 /nfs/dbraw/zinc/25/83/82/1069258382.db2.gz BTYKXABBYLESPE-RDJZCZTQSA-N 2 2 409.531 -0.975 20 0 HBADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640370 1069258362 /nfs/dbraw/zinc/25/83/62/1069258362.db2.gz BTYKXABBYLESPE-RDJZCZTQSA-N 2 2 409.531 -0.975 20 0 HBADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640371 1069257839 /nfs/dbraw/zinc/25/78/39/1069257839.db2.gz BTYKXABBYLESPE-WBVHZDCISA-N 2 2 409.531 -0.975 20 0 HBADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000672640371 1069257833 /nfs/dbraw/zinc/25/78/33/1069257833.db2.gz BTYKXABBYLESPE-WBVHZDCISA-N 2 2 409.531 -0.975 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672640413 1069257529 /nfs/dbraw/zinc/25/75/29/1069257529.db2.gz CUDRUMTWZUTVIR-AWEZNQCLSA-N 2 2 405.465 -0.022 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672640413 1069257517 /nfs/dbraw/zinc/25/75/17/1069257517.db2.gz CUDRUMTWZUTVIR-AWEZNQCLSA-N 2 2 405.465 -0.022 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672640414 1069258027 /nfs/dbraw/zinc/25/80/27/1069258027.db2.gz CUDRUMTWZUTVIR-CQSZACIVSA-N 2 2 405.465 -0.022 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)C2)CC1 ZINC000672640414 1069258014 /nfs/dbraw/zinc/25/80/14/1069258014.db2.gz CUDRUMTWZUTVIR-CQSZACIVSA-N 2 2 405.465 -0.022 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2)CC1 ZINC000672640580 1069259253 /nfs/dbraw/zinc/25/92/53/1069259253.db2.gz KDLIBSOOXVFPFL-KRWDZBQOSA-N 2 2 408.543 -0.073 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2)CC1 ZINC000672640580 1069259236 /nfs/dbraw/zinc/25/92/36/1069259236.db2.gz KDLIBSOOXVFPFL-KRWDZBQOSA-N 2 2 408.543 -0.073 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2)CC1 ZINC000672640584 1069258826 /nfs/dbraw/zinc/25/88/26/1069258826.db2.gz KDLIBSOOXVFPFL-QGZVFWFLSA-N 2 2 408.543 -0.073 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)C2)CC1 ZINC000672640584 1069258824 /nfs/dbraw/zinc/25/88/24/1069258824.db2.gz KDLIBSOOXVFPFL-QGZVFWFLSA-N 2 2 408.543 -0.073 20 0 HBADLP CCn1nccc1CN(CCO)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640585 1069259563 /nfs/dbraw/zinc/25/95/63/1069259563.db2.gz YCMXZMCKAJFDLC-INIZCTEOSA-N 2 2 406.531 -0.491 20 0 HBADLP CCn1nccc1CN(CCO)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640585 1069259558 /nfs/dbraw/zinc/25/95/58/1069259558.db2.gz YCMXZMCKAJFDLC-INIZCTEOSA-N 2 2 406.531 -0.491 20 0 HBADLP CCn1nccc1CN(CCO)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640587 1069260672 /nfs/dbraw/zinc/26/06/72/1069260672.db2.gz YCMXZMCKAJFDLC-MRXNPFEDSA-N 2 2 406.531 -0.491 20 0 HBADLP CCn1nccc1CN(CCO)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640587 1069260664 /nfs/dbraw/zinc/26/06/64/1069260664.db2.gz YCMXZMCKAJFDLC-MRXNPFEDSA-N 2 2 406.531 -0.491 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000672640717 1069260702 /nfs/dbraw/zinc/26/07/02/1069260702.db2.gz HESMAEDMSQLKLN-INIZCTEOSA-N 2 2 401.515 -0.590 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000672640717 1069260695 /nfs/dbraw/zinc/26/06/95/1069260695.db2.gz HESMAEDMSQLKLN-INIZCTEOSA-N 2 2 401.515 -0.590 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000672640718 1069260405 /nfs/dbraw/zinc/26/04/05/1069260405.db2.gz HESMAEDMSQLKLN-MRXNPFEDSA-N 2 2 401.515 -0.590 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2)CC1 ZINC000672640718 1069260393 /nfs/dbraw/zinc/26/03/93/1069260393.db2.gz HESMAEDMSQLKLN-MRXNPFEDSA-N 2 2 401.515 -0.590 20 0 HBADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640867 1069260211 /nfs/dbraw/zinc/26/02/11/1069260211.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640867 1069260205 /nfs/dbraw/zinc/26/02/05/1069260205.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640867 1069260196 /nfs/dbraw/zinc/26/01/96/1069260196.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640867 1069260190 /nfs/dbraw/zinc/26/01/90/1069260190.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640871 1069260578 /nfs/dbraw/zinc/26/05/78/1069260578.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640871 1069260566 /nfs/dbraw/zinc/26/05/66/1069260566.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640871 1069260550 /nfs/dbraw/zinc/26/05/50/1069260550.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640871 1069260538 /nfs/dbraw/zinc/26/05/38/1069260538.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640872 1069260802 /nfs/dbraw/zinc/26/08/02/1069260802.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640872 1069260796 /nfs/dbraw/zinc/26/07/96/1069260796.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640872 1069260788 /nfs/dbraw/zinc/26/07/88/1069260788.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640872 1069260783 /nfs/dbraw/zinc/26/07/83/1069260783.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640873 1069260333 /nfs/dbraw/zinc/26/03/33/1069260333.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640873 1069260317 /nfs/dbraw/zinc/26/03/17/1069260317.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640873 1069260300 /nfs/dbraw/zinc/26/03/00/1069260300.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 3 2 409.575 -0.112 20 0 HBADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640873 1069260287 /nfs/dbraw/zinc/26/02/87/1069260287.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 3 2 409.575 -0.112 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)C2)CC1 ZINC000672641003 1069260129 /nfs/dbraw/zinc/26/01/29/1069260129.db2.gz JLLJHLQEBQVVDT-INIZCTEOSA-N 2 2 419.505 -0.451 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)C2)CC1 ZINC000672641003 1069260125 /nfs/dbraw/zinc/26/01/25/1069260125.db2.gz JLLJHLQEBQVVDT-INIZCTEOSA-N 2 2 419.505 -0.451 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)C2)CC1 ZINC000672641004 1069260112 /nfs/dbraw/zinc/26/01/12/1069260112.db2.gz JLLJHLQEBQVVDT-MRXNPFEDSA-N 2 2 419.505 -0.451 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)C2)CC1 ZINC000672641004 1069260107 /nfs/dbraw/zinc/26/01/07/1069260107.db2.gz JLLJHLQEBQVVDT-MRXNPFEDSA-N 2 2 419.505 -0.451 20 0 HBADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641048 1069259534 /nfs/dbraw/zinc/25/95/34/1069259534.db2.gz MOHGLXXNBSEMNM-KRWDZBQOSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641048 1069259529 /nfs/dbraw/zinc/25/95/29/1069259529.db2.gz MOHGLXXNBSEMNM-KRWDZBQOSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641049 1069260875 /nfs/dbraw/zinc/26/08/75/1069260875.db2.gz MOHGLXXNBSEMNM-QGZVFWFLSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672641049 1069260858 /nfs/dbraw/zinc/26/08/58/1069260858.db2.gz MOHGLXXNBSEMNM-QGZVFWFLSA-N 3 2 409.575 -0.160 20 0 HBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641190 1069259616 /nfs/dbraw/zinc/25/96/16/1069259616.db2.gz NBQXQIBMQQBALT-DLBZAZTESA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641190 1069259609 /nfs/dbraw/zinc/25/96/09/1069259609.db2.gz NBQXQIBMQQBALT-DLBZAZTESA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641191 1069259304 /nfs/dbraw/zinc/25/93/04/1069259304.db2.gz NBQXQIBMQQBALT-IAGOWNOFSA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641191 1069259291 /nfs/dbraw/zinc/25/92/91/1069259291.db2.gz NBQXQIBMQQBALT-IAGOWNOFSA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641194 1069259583 /nfs/dbraw/zinc/25/95/83/1069259583.db2.gz NBQXQIBMQQBALT-IRXDYDNUSA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641194 1069259579 /nfs/dbraw/zinc/25/95/79/1069259579.db2.gz NBQXQIBMQQBALT-IRXDYDNUSA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641195 1069258884 /nfs/dbraw/zinc/25/88/84/1069258884.db2.gz NBQXQIBMQQBALT-SJORKVTESA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672641195 1069258879 /nfs/dbraw/zinc/25/88/79/1069258879.db2.gz NBQXQIBMQQBALT-SJORKVTESA-N 2 2 409.575 -0.425 20 0 HBADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672641832 1069261879 /nfs/dbraw/zinc/26/18/79/1069261879.db2.gz XRUCDHGUVYWIMR-INIZCTEOSA-N 2 2 402.499 -0.059 20 0 HBADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672641832 1069261867 /nfs/dbraw/zinc/26/18/67/1069261867.db2.gz XRUCDHGUVYWIMR-INIZCTEOSA-N 2 2 402.499 -0.059 20 0 HBADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672641834 1069261495 /nfs/dbraw/zinc/26/14/95/1069261495.db2.gz XRUCDHGUVYWIMR-MRXNPFEDSA-N 2 2 402.499 -0.059 20 0 HBADLP CC(=O)Nc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000672641834 1069261482 /nfs/dbraw/zinc/26/14/82/1069261482.db2.gz XRUCDHGUVYWIMR-MRXNPFEDSA-N 2 2 402.499 -0.059 20 0 HBADLP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)CC1 ZINC000672641853 1069261262 /nfs/dbraw/zinc/26/12/62/1069261262.db2.gz YKIZWOYYWCDYNO-KRWDZBQOSA-N 2 2 407.559 -0.406 20 0 HBADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)CC1 ZINC000672641854 1069261217 /nfs/dbraw/zinc/26/12/17/1069261217.db2.gz YKIZWOYYWCDYNO-QGZVFWFLSA-N 2 2 407.559 -0.406 20 0 HBADLP Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672641863 1069261755 /nfs/dbraw/zinc/26/17/55/1069261755.db2.gz YOYGXTOVYOBYTM-GOSISDBHSA-N 2 2 417.558 -0.651 20 0 HBADLP Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672641863 1069261745 /nfs/dbraw/zinc/26/17/45/1069261745.db2.gz YOYGXTOVYOBYTM-GOSISDBHSA-N 2 2 417.558 -0.651 20 0 HBADLP Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672641864 1069261822 /nfs/dbraw/zinc/26/18/22/1069261822.db2.gz YOYGXTOVYOBYTM-SFHVURJKSA-N 2 2 417.558 -0.651 20 0 HBADLP Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672641864 1069261815 /nfs/dbraw/zinc/26/18/15/1069261815.db2.gz YOYGXTOVYOBYTM-SFHVURJKSA-N 2 2 417.558 -0.651 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)CC1 ZINC000672642350 1069260614 /nfs/dbraw/zinc/26/06/14/1069260614.db2.gz HFMCSVRCMOTKJV-IBGZPJMESA-N 3 2 421.586 -0.158 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)CC1 ZINC000672642350 1069260600 /nfs/dbraw/zinc/26/06/00/1069260600.db2.gz HFMCSVRCMOTKJV-IBGZPJMESA-N 3 2 421.586 -0.158 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)CC1 ZINC000672642351 1069260142 /nfs/dbraw/zinc/26/01/42/1069260142.db2.gz HFMCSVRCMOTKJV-LJQANCHMSA-N 3 2 421.586 -0.158 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)CC1 ZINC000672642351 1069260138 /nfs/dbraw/zinc/26/01/38/1069260138.db2.gz HFMCSVRCMOTKJV-LJQANCHMSA-N 3 2 421.586 -0.158 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000672642446 1069261149 /nfs/dbraw/zinc/26/11/49/1069261149.db2.gz BBRGUWDVZVNGFY-DLBZAZTESA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000672642446 1069261137 /nfs/dbraw/zinc/26/11/37/1069261137.db2.gz BBRGUWDVZVNGFY-DLBZAZTESA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000672642447 1069261575 /nfs/dbraw/zinc/26/15/75/1069261575.db2.gz BBRGUWDVZVNGFY-IAGOWNOFSA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000672642447 1069261564 /nfs/dbraw/zinc/26/15/64/1069261564.db2.gz BBRGUWDVZVNGFY-IAGOWNOFSA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000672642448 1069261430 /nfs/dbraw/zinc/26/14/30/1069261430.db2.gz BBRGUWDVZVNGFY-IRXDYDNUSA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000672642448 1069261422 /nfs/dbraw/zinc/26/14/22/1069261422.db2.gz BBRGUWDVZVNGFY-IRXDYDNUSA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000672642449 1069261667 /nfs/dbraw/zinc/26/16/67/1069261667.db2.gz BBRGUWDVZVNGFY-SJORKVTESA-N 2 2 409.575 -0.425 20 0 HBADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000672642449 1069261657 /nfs/dbraw/zinc/26/16/57/1069261657.db2.gz BBRGUWDVZVNGFY-SJORKVTESA-N 2 2 409.575 -0.425 20 0 HBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642609 1069261405 /nfs/dbraw/zinc/26/14/05/1069261405.db2.gz PAWFHQHOCLQJOS-HKUYNNGSSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642609 1069261399 /nfs/dbraw/zinc/26/13/99/1069261399.db2.gz PAWFHQHOCLQJOS-HKUYNNGSSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642610 1069261362 /nfs/dbraw/zinc/26/13/62/1069261362.db2.gz PAWFHQHOCLQJOS-IEBWSBKVSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642610 1069261352 /nfs/dbraw/zinc/26/13/52/1069261352.db2.gz PAWFHQHOCLQJOS-IEBWSBKVSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642611 1069262377 /nfs/dbraw/zinc/26/23/77/1069262377.db2.gz PAWFHQHOCLQJOS-MJGOQNOKSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642611 1069262364 /nfs/dbraw/zinc/26/23/64/1069262364.db2.gz PAWFHQHOCLQJOS-MJGOQNOKSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642612 1069262181 /nfs/dbraw/zinc/26/21/81/1069262181.db2.gz PAWFHQHOCLQJOS-PKOBYXMFSA-N 3 2 409.575 -0.160 20 0 HBADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642612 1069262168 /nfs/dbraw/zinc/26/21/68/1069262168.db2.gz PAWFHQHOCLQJOS-PKOBYXMFSA-N 3 2 409.575 -0.160 20 0 HBADLP CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1=O ZINC000672642708 1069263361 /nfs/dbraw/zinc/26/33/61/1069263361.db2.gz FJXPTLGAAXLZQR-DLBZAZTESA-N 2 2 407.559 -0.014 20 0 HBADLP CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1=O ZINC000672642708 1069263354 /nfs/dbraw/zinc/26/33/54/1069263354.db2.gz FJXPTLGAAXLZQR-DLBZAZTESA-N 2 2 407.559 -0.014 20 0 HBADLP CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1=O ZINC000672642709 1069263215 /nfs/dbraw/zinc/26/32/15/1069263215.db2.gz FJXPTLGAAXLZQR-IAGOWNOFSA-N 2 2 407.559 -0.014 20 0 HBADLP CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1=O ZINC000672642709 1069263204 /nfs/dbraw/zinc/26/32/04/1069263204.db2.gz FJXPTLGAAXLZQR-IAGOWNOFSA-N 2 2 407.559 -0.014 20 0 HBADLP CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1=O ZINC000672642710 1069263147 /nfs/dbraw/zinc/26/31/47/1069263147.db2.gz FJXPTLGAAXLZQR-IRXDYDNUSA-N 2 2 407.559 -0.014 20 0 HBADLP CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1=O ZINC000672642710 1069263139 /nfs/dbraw/zinc/26/31/39/1069263139.db2.gz FJXPTLGAAXLZQR-IRXDYDNUSA-N 2 2 407.559 -0.014 20 0 HBADLP CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1=O ZINC000672642711 1069263444 /nfs/dbraw/zinc/26/34/44/1069263444.db2.gz FJXPTLGAAXLZQR-SJORKVTESA-N 2 2 407.559 -0.014 20 0 HBADLP CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1=O ZINC000672642711 1069263433 /nfs/dbraw/zinc/26/34/33/1069263433.db2.gz FJXPTLGAAXLZQR-SJORKVTESA-N 2 2 407.559 -0.014 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000672642905 1069262587 /nfs/dbraw/zinc/26/25/87/1069262587.db2.gz XVAHWNWUKNARQS-INIZCTEOSA-N 2 2 401.515 -0.590 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000672642905 1069262578 /nfs/dbraw/zinc/26/25/78/1069262578.db2.gz XVAHWNWUKNARQS-INIZCTEOSA-N 2 2 401.515 -0.590 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000672642906 1069262729 /nfs/dbraw/zinc/26/27/29/1069262729.db2.gz XVAHWNWUKNARQS-MRXNPFEDSA-N 2 2 401.515 -0.590 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000672642906 1069262720 /nfs/dbraw/zinc/26/27/20/1069262720.db2.gz XVAHWNWUKNARQS-MRXNPFEDSA-N 2 2 401.515 -0.590 20 0 HBADLP Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672643419 1069262678 /nfs/dbraw/zinc/26/26/78/1069262678.db2.gz XWPKPOADSQBYAT-INIZCTEOSA-N 2 2 403.531 -0.647 20 0 HBADLP Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672643419 1069262665 /nfs/dbraw/zinc/26/26/65/1069262665.db2.gz XWPKPOADSQBYAT-INIZCTEOSA-N 2 2 403.531 -0.647 20 0 HBADLP Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672643420 1069262501 /nfs/dbraw/zinc/26/25/01/1069262501.db2.gz XWPKPOADSQBYAT-MRXNPFEDSA-N 2 2 403.531 -0.647 20 0 HBADLP Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)cn1 ZINC000672643420 1069262486 /nfs/dbraw/zinc/26/24/86/1069262486.db2.gz XWPKPOADSQBYAT-MRXNPFEDSA-N 2 2 403.531 -0.647 20 0 HBADLP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672854327 1069273646 /nfs/dbraw/zinc/27/36/46/1069273646.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 3 2 422.618 -0.245 20 0 HBADLP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672854327 1069273636 /nfs/dbraw/zinc/27/36/36/1069273636.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 3 2 422.618 -0.245 20 0 HBADLP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672854327 1069273627 /nfs/dbraw/zinc/27/36/27/1069273627.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 3 2 422.618 -0.245 20 0 HBADLP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672854327 1069273612 /nfs/dbraw/zinc/27/36/12/1069273612.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 3 2 422.618 -0.245 20 0 HBADLP CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672854328 1069273832 /nfs/dbraw/zinc/27/38/32/1069273832.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 3 2 422.618 -0.245 20 0 HBADLP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672854328 1069273830 /nfs/dbraw/zinc/27/38/30/1069273830.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 3 2 422.618 -0.245 20 0 HBADLP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672854328 1069273828 /nfs/dbraw/zinc/27/38/28/1069273828.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 3 2 422.618 -0.245 20 0 HBADLP CN(C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672854328 1069273821 /nfs/dbraw/zinc/27/38/21/1069273821.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 3 2 422.618 -0.245 20 0 HBADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673013526 1069280822 /nfs/dbraw/zinc/28/08/22/1069280822.db2.gz MTZRIPVOYFNERI-HKUYNNGSSA-N 2 2 408.543 -0.073 20 0 HBADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673013527 1069280654 /nfs/dbraw/zinc/28/06/54/1069280654.db2.gz MTZRIPVOYFNERI-IEBWSBKVSA-N 2 2 408.543 -0.073 20 0 HBADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673013528 1069280973 /nfs/dbraw/zinc/28/09/73/1069280973.db2.gz MTZRIPVOYFNERI-MJGOQNOKSA-N 2 2 408.543 -0.073 20 0 HBADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673013529 1069280665 /nfs/dbraw/zinc/28/06/65/1069280665.db2.gz MTZRIPVOYFNERI-PKOBYXMFSA-N 2 2 408.543 -0.073 20 0 HBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300284 1069299918 /nfs/dbraw/zinc/29/99/18/1069299918.db2.gz OOICMFLLSRTVFT-DLBZAZTESA-N 2 2 414.510 -0.459 20 0 HBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300284 1069299906 /nfs/dbraw/zinc/29/99/06/1069299906.db2.gz OOICMFLLSRTVFT-DLBZAZTESA-N 2 2 414.510 -0.459 20 0 HBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300290 1069299791 /nfs/dbraw/zinc/29/97/91/1069299791.db2.gz OOICMFLLSRTVFT-IAGOWNOFSA-N 2 2 414.510 -0.459 20 0 HBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300290 1069299777 /nfs/dbraw/zinc/29/97/77/1069299777.db2.gz OOICMFLLSRTVFT-IAGOWNOFSA-N 2 2 414.510 -0.459 20 0 HBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300293 1069299662 /nfs/dbraw/zinc/29/96/62/1069299662.db2.gz OOICMFLLSRTVFT-IRXDYDNUSA-N 2 2 414.510 -0.459 20 0 HBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300293 1069299649 /nfs/dbraw/zinc/29/96/49/1069299649.db2.gz OOICMFLLSRTVFT-IRXDYDNUSA-N 2 2 414.510 -0.459 20 0 HBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300295 1069299978 /nfs/dbraw/zinc/29/99/78/1069299978.db2.gz OOICMFLLSRTVFT-SJORKVTESA-N 2 2 414.510 -0.459 20 0 HBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300295 1069299969 /nfs/dbraw/zinc/29/99/69/1069299969.db2.gz OOICMFLLSRTVFT-SJORKVTESA-N 2 2 414.510 -0.459 20 0 HBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673303467 1069301975 /nfs/dbraw/zinc/30/19/75/1069301975.db2.gz KJAWVZQKRWPLCA-KRWDZBQOSA-N 2 2 414.510 -0.457 20 0 HBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673303468 1069301737 /nfs/dbraw/zinc/30/17/37/1069301737.db2.gz KJAWVZQKRWPLCA-QGZVFWFLSA-N 2 2 414.510 -0.457 20 0 HBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673303613 1069301856 /nfs/dbraw/zinc/30/18/56/1069301856.db2.gz JDYCWFVQFGDSBK-KRWDZBQOSA-N 2 2 416.526 -0.211 20 0 HBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673303614 1069301928 /nfs/dbraw/zinc/30/19/28/1069301928.db2.gz JDYCWFVQFGDSBK-QGZVFWFLSA-N 2 2 416.526 -0.211 20 0 HBADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338303 1069306795 /nfs/dbraw/zinc/30/67/95/1069306795.db2.gz PGSGFADMKOVRJH-MSOLQXFVSA-N 2 2 423.558 -0.633 20 0 HBADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338303 1069306781 /nfs/dbraw/zinc/30/67/81/1069306781.db2.gz PGSGFADMKOVRJH-MSOLQXFVSA-N 2 2 423.558 -0.633 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338304 1069306884 /nfs/dbraw/zinc/30/68/84/1069306884.db2.gz PGSGFADMKOVRJH-QZTJIDSGSA-N 2 2 423.558 -0.633 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338304 1069306870 /nfs/dbraw/zinc/30/68/70/1069306870.db2.gz PGSGFADMKOVRJH-QZTJIDSGSA-N 2 2 423.558 -0.633 20 0 HBADLP CC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338305 1069307116 /nfs/dbraw/zinc/30/71/16/1069307116.db2.gz PGSGFADMKOVRJH-ROUUACIJSA-N 2 2 423.558 -0.633 20 0 HBADLP CC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338305 1069307104 /nfs/dbraw/zinc/30/71/04/1069307104.db2.gz PGSGFADMKOVRJH-ROUUACIJSA-N 2 2 423.558 -0.633 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338306 1069306983 /nfs/dbraw/zinc/30/69/83/1069306983.db2.gz PGSGFADMKOVRJH-ZWKOTPCHSA-N 2 2 423.558 -0.633 20 0 HBADLP CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCOCC1 ZINC000673338306 1069306968 /nfs/dbraw/zinc/30/69/68/1069306968.db2.gz PGSGFADMKOVRJH-ZWKOTPCHSA-N 2 2 423.558 -0.633 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000673347571 1069310679 /nfs/dbraw/zinc/31/06/79/1069310679.db2.gz AWFWYHCEBZLKGS-UHFFFAOYSA-N 2 2 421.517 -0.004 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000673347571 1069310664 /nfs/dbraw/zinc/31/06/64/1069310664.db2.gz AWFWYHCEBZLKGS-UHFFFAOYSA-N 2 2 421.517 -0.004 20 0 HBADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446231 1069327821 /nfs/dbraw/zinc/32/78/21/1069327821.db2.gz MYZLGESKAVWKFC-JENIJYKNSA-N 2 2 410.559 -0.093 20 0 HBADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446231 1069327804 /nfs/dbraw/zinc/32/78/04/1069327804.db2.gz MYZLGESKAVWKFC-JENIJYKNSA-N 2 2 410.559 -0.093 20 0 HBADLP C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446232 1069327718 /nfs/dbraw/zinc/32/77/18/1069327718.db2.gz MYZLGESKAVWKFC-LNLFQRSKSA-N 2 2 410.559 -0.093 20 0 HBADLP C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446232 1069327704 /nfs/dbraw/zinc/32/77/04/1069327704.db2.gz MYZLGESKAVWKFC-LNLFQRSKSA-N 2 2 410.559 -0.093 20 0 HBADLP C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446233 1069327431 /nfs/dbraw/zinc/32/74/31/1069327431.db2.gz MYZLGESKAVWKFC-SCTDSRPQSA-N 2 2 410.559 -0.093 20 0 HBADLP C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446233 1069327416 /nfs/dbraw/zinc/32/74/16/1069327416.db2.gz MYZLGESKAVWKFC-SCTDSRPQSA-N 2 2 410.559 -0.093 20 0 HBADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446234 1069327545 /nfs/dbraw/zinc/32/75/45/1069327545.db2.gz MYZLGESKAVWKFC-YQVWRLOYSA-N 2 2 410.559 -0.093 20 0 HBADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446234 1069327531 /nfs/dbraw/zinc/32/75/31/1069327531.db2.gz MYZLGESKAVWKFC-YQVWRLOYSA-N 2 2 410.559 -0.093 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000673454240 1069330490 /nfs/dbraw/zinc/33/04/90/1069330490.db2.gz WTSJEHPBJYJTNT-FHWLQOOXSA-N 2 2 404.511 -0.301 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000673454240 1069330473 /nfs/dbraw/zinc/33/04/73/1069330473.db2.gz WTSJEHPBJYJTNT-FHWLQOOXSA-N 2 2 404.511 -0.301 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000673454241 1069330791 /nfs/dbraw/zinc/33/07/91/1069330791.db2.gz WTSJEHPBJYJTNT-GBESFXJTSA-N 2 2 404.511 -0.301 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000673454241 1069330778 /nfs/dbraw/zinc/33/07/78/1069330778.db2.gz WTSJEHPBJYJTNT-GBESFXJTSA-N 2 2 404.511 -0.301 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000673454242 1069330998 /nfs/dbraw/zinc/33/09/98/1069330998.db2.gz WTSJEHPBJYJTNT-IPMKNSEASA-N 2 2 404.511 -0.301 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000673454242 1069330986 /nfs/dbraw/zinc/33/09/86/1069330986.db2.gz WTSJEHPBJYJTNT-IPMKNSEASA-N 2 2 404.511 -0.301 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000673454243 1069330718 /nfs/dbraw/zinc/33/07/18/1069330718.db2.gz WTSJEHPBJYJTNT-OTWHNJEPSA-N 2 2 404.511 -0.301 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000673454243 1069330702 /nfs/dbraw/zinc/33/07/02/1069330702.db2.gz WTSJEHPBJYJTNT-OTWHNJEPSA-N 2 2 404.511 -0.301 20 0 HBADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccn1 ZINC000673581924 1069365544 /nfs/dbraw/zinc/36/55/44/1069365544.db2.gz PSIPFRDITDBQDR-GOSISDBHSA-N 2 2 419.526 -0.039 20 0 HBADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000673581925 1069365740 /nfs/dbraw/zinc/36/57/40/1069365740.db2.gz PSIPFRDITDBQDR-SFHVURJKSA-N 2 2 419.526 -0.039 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584418 1069368163 /nfs/dbraw/zinc/36/81/63/1069368163.db2.gz DJQBKSUZJCTNBH-DFQSSKMNSA-N 3 2 421.586 -0.235 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584418 1069368158 /nfs/dbraw/zinc/36/81/58/1069368158.db2.gz DJQBKSUZJCTNBH-DFQSSKMNSA-N 3 2 421.586 -0.235 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584419 1069367953 /nfs/dbraw/zinc/36/79/53/1069367953.db2.gz DJQBKSUZJCTNBH-IHPCNDPISA-N 3 2 421.586 -0.235 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584419 1069367948 /nfs/dbraw/zinc/36/79/48/1069367948.db2.gz DJQBKSUZJCTNBH-IHPCNDPISA-N 3 2 421.586 -0.235 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584420 1069368121 /nfs/dbraw/zinc/36/81/21/1069368121.db2.gz DJQBKSUZJCTNBH-SXLOBPIMSA-N 3 2 421.586 -0.235 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584420 1069368117 /nfs/dbraw/zinc/36/81/17/1069368117.db2.gz DJQBKSUZJCTNBH-SXLOBPIMSA-N 3 2 421.586 -0.235 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584421 1069367883 /nfs/dbraw/zinc/36/78/83/1069367883.db2.gz DJQBKSUZJCTNBH-YSIASYRMSA-N 3 2 421.586 -0.235 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584421 1069367869 /nfs/dbraw/zinc/36/78/69/1069367869.db2.gz DJQBKSUZJCTNBH-YSIASYRMSA-N 3 2 421.586 -0.235 20 0 HBADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673588137 1069371136 /nfs/dbraw/zinc/37/11/36/1069371136.db2.gz KDKJOJMZDSPSHW-GUDVDZBRSA-N 2 2 408.543 -0.196 20 0 HBADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673588138 1069371421 /nfs/dbraw/zinc/37/14/21/1069371421.db2.gz KDKJOJMZDSPSHW-IPMKNSEASA-N 2 2 408.543 -0.196 20 0 HBADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673588139 1069371212 /nfs/dbraw/zinc/37/12/12/1069371212.db2.gz KDKJOJMZDSPSHW-OTWHNJEPSA-N 2 2 408.543 -0.196 20 0 HBADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673588140 1069371115 /nfs/dbraw/zinc/37/11/15/1069371115.db2.gz KDKJOJMZDSPSHW-QRVBRYPASA-N 2 2 408.543 -0.196 20 0 HBADLP COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673668767 1069394440 /nfs/dbraw/zinc/39/44/40/1069394440.db2.gz JKQVBSUSSIEFCF-AWEZNQCLSA-N 2 2 413.544 -0.162 20 0 HBADLP COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673668767 1069394430 /nfs/dbraw/zinc/39/44/30/1069394430.db2.gz JKQVBSUSSIEFCF-AWEZNQCLSA-N 2 2 413.544 -0.162 20 0 HBADLP COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673668768 1069395077 /nfs/dbraw/zinc/39/50/77/1069395077.db2.gz JKQVBSUSSIEFCF-CQSZACIVSA-N 2 2 413.544 -0.162 20 0 HBADLP COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000673668768 1069395061 /nfs/dbraw/zinc/39/50/61/1069395061.db2.gz JKQVBSUSSIEFCF-CQSZACIVSA-N 2 2 413.544 -0.162 20 0 HBADLP CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673904650 1069408970 /nfs/dbraw/zinc/40/89/70/1069408970.db2.gz ARDPQXRMBUEWJP-KRWDZBQOSA-N 2 2 404.577 -0.042 20 0 HBADLP CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673904650 1069408958 /nfs/dbraw/zinc/40/89/58/1069408958.db2.gz ARDPQXRMBUEWJP-KRWDZBQOSA-N 2 2 404.577 -0.042 20 0 HBADLP CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673904655 1069409398 /nfs/dbraw/zinc/40/93/98/1069409398.db2.gz ARDPQXRMBUEWJP-QGZVFWFLSA-N 2 2 404.577 -0.042 20 0 HBADLP CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673904655 1069409390 /nfs/dbraw/zinc/40/93/90/1069409390.db2.gz ARDPQXRMBUEWJP-QGZVFWFLSA-N 2 2 404.577 -0.042 20 0 HBADLP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCC[C@@H]2NC(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000673994230 1069423083 /nfs/dbraw/zinc/42/30/83/1069423083.db2.gz YQLHDUJSBXJQKK-PMACEKPBSA-N 2 2 422.618 -0.338 20 0 HBADLP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[C@@H]2NC(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000673994231 1069423162 /nfs/dbraw/zinc/42/31/62/1069423162.db2.gz YQLHDUJSBXJQKK-UXHICEINSA-N 2 2 422.618 -0.338 20 0 HBADLP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCC[C@H]2NC(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000673994232 1069423196 /nfs/dbraw/zinc/42/31/96/1069423196.db2.gz YQLHDUJSBXJQKK-VQTJNVASSA-N 2 2 422.618 -0.338 20 0 HBADLP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[C@H]2NC(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000673994233 1069423142 /nfs/dbraw/zinc/42/31/42/1069423142.db2.gz YQLHDUJSBXJQKK-WOJBJXKFSA-N 2 2 422.618 -0.338 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCC(C)(C)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000674089939 1069432921 /nfs/dbraw/zinc/43/29/21/1069432921.db2.gz BWZFMXBLNHULAA-MSOLQXFVSA-N 2 2 412.575 -0.157 20 0 HBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)CCC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000674089941 1069433047 /nfs/dbraw/zinc/43/30/47/1069433047.db2.gz BWZFMXBLNHULAA-ZWKOTPCHSA-N 2 2 412.575 -0.157 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C/C=C\C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234023 1069437132 /nfs/dbraw/zinc/43/71/32/1069437132.db2.gz WDOLTKVMGLAHTI-SSGMOAHOSA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234023 1069437129 /nfs/dbraw/zinc/43/71/29/1069437129.db2.gz WDOLTKVMGLAHTI-SSGMOAHOSA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C/C=C\C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234023 1069437123 /nfs/dbraw/zinc/43/71/23/1069437123.db2.gz WDOLTKVMGLAHTI-SSGMOAHOSA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C/C=C\C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234023 1069437121 /nfs/dbraw/zinc/43/71/21/1069437121.db2.gz WDOLTKVMGLAHTI-SSGMOAHOSA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234026 1069436908 /nfs/dbraw/zinc/43/69/08/1069436908.db2.gz WDOLTKVMGLAHTI-ZOSBBBERSA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234026 1069436901 /nfs/dbraw/zinc/43/69/01/1069436901.db2.gz WDOLTKVMGLAHTI-ZOSBBBERSA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C/C=C/C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234026 1069436894 /nfs/dbraw/zinc/43/68/94/1069436894.db2.gz WDOLTKVMGLAHTI-ZOSBBBERSA-N 2 2 408.590 -0.430 20 0 HBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C/C=C/C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000674234026 1069436876 /nfs/dbraw/zinc/43/68/76/1069436876.db2.gz WDOLTKVMGLAHTI-ZOSBBBERSA-N 2 2 408.590 -0.430 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2)CC1 ZINC000674274727 1069438464 /nfs/dbraw/zinc/43/84/64/1069438464.db2.gz XVNKUMYPPSTCMU-AWEZNQCLSA-N 2 2 414.532 -0.438 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2)CC1 ZINC000674274727 1069438459 /nfs/dbraw/zinc/43/84/59/1069438459.db2.gz XVNKUMYPPSTCMU-AWEZNQCLSA-N 2 2 414.532 -0.438 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2)CC1 ZINC000674274728 1069438352 /nfs/dbraw/zinc/43/83/52/1069438352.db2.gz XVNKUMYPPSTCMU-CQSZACIVSA-N 2 2 414.532 -0.438 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc3ccon3)C2)CC1 ZINC000674274728 1069438347 /nfs/dbraw/zinc/43/83/47/1069438347.db2.gz XVNKUMYPPSTCMU-CQSZACIVSA-N 2 2 414.532 -0.438 20 0 HBADLP C[NH+](C/C=C\C[N@@H+](C)CCN1CCCS1(=O)=O)CCN1CCCS1(=O)=O ZINC000674496698 1069459289 /nfs/dbraw/zinc/45/92/89/1069459289.db2.gz SQIXUSDQNQFDGA-ARJAWSKDSA-N 2 2 408.590 -0.523 20 0 HBADLP C[NH+](C/C=C\C[N@H+](C)CCN1CCCS1(=O)=O)CCN1CCCS1(=O)=O ZINC000674496698 1069459284 /nfs/dbraw/zinc/45/92/84/1069459284.db2.gz SQIXUSDQNQFDGA-ARJAWSKDSA-N 2 2 408.590 -0.523 20 0 HBADLP C[NH+](C/C=C/C[N@@H+](C)CCN1CCCS1(=O)=O)CCN1CCCS1(=O)=O ZINC000674496699 1069222834 /nfs/dbraw/zinc/22/28/34/1069222834.db2.gz SQIXUSDQNQFDGA-ONEGZZNKSA-N 2 2 408.590 -0.523 20 0 HBADLP C[NH+](C/C=C/C[N@H+](C)CCN1CCCS1(=O)=O)CCN1CCCS1(=O)=O ZINC000674496699 1069222825 /nfs/dbraw/zinc/22/28/25/1069222825.db2.gz SQIXUSDQNQFDGA-ONEGZZNKSA-N 2 2 408.590 -0.523 20 0 HBADLP C[NH+]1CCN(CC(=O)NC2C(C)(C)C(NC(=O)CN3CC[NH+](C)CC3)C2(C)C)CC1 ZINC000674606091 1069464210 /nfs/dbraw/zinc/46/42/10/1069464210.db2.gz DNNYGRBXCIDLBJ-UHFFFAOYSA-N 2 2 422.618 -0.483 20 0 HBADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800179 1069471868 /nfs/dbraw/zinc/47/18/68/1069471868.db2.gz XGSDMGHOCAEAHU-GDBMZVCRSA-N 2 2 412.560 -0.286 20 0 HBADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800179 1069471866 /nfs/dbraw/zinc/47/18/66/1069471866.db2.gz XGSDMGHOCAEAHU-GDBMZVCRSA-N 2 2 412.560 -0.286 20 0 HBADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800180 1069471888 /nfs/dbraw/zinc/47/18/88/1069471888.db2.gz XGSDMGHOCAEAHU-GOEBONIOSA-N 2 2 412.560 -0.286 20 0 HBADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800180 1069471886 /nfs/dbraw/zinc/47/18/86/1069471886.db2.gz XGSDMGHOCAEAHU-GOEBONIOSA-N 2 2 412.560 -0.286 20 0 HBADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800181 1069471820 /nfs/dbraw/zinc/47/18/20/1069471820.db2.gz XGSDMGHOCAEAHU-HOCLYGCPSA-N 2 2 412.560 -0.286 20 0 HBADLP C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800181 1069471816 /nfs/dbraw/zinc/47/18/16/1069471816.db2.gz XGSDMGHOCAEAHU-HOCLYGCPSA-N 2 2 412.560 -0.286 20 0 HBADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800185 1069471660 /nfs/dbraw/zinc/47/16/60/1069471660.db2.gz XGSDMGHOCAEAHU-ZBFHGGJFSA-N 2 2 412.560 -0.286 20 0 HBADLP C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800185 1069471651 /nfs/dbraw/zinc/47/16/51/1069471651.db2.gz XGSDMGHOCAEAHU-ZBFHGGJFSA-N 2 2 412.560 -0.286 20 0 HBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(OCCCO)CC2)CC1 ZINC000674913324 1069474516 /nfs/dbraw/zinc/47/45/16/1069474516.db2.gz KWGUXBNJGISYGA-UHFFFAOYSA-N 2 2 417.514 -0.125 20 0 HBADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000675193903 1069483150 /nfs/dbraw/zinc/48/31/50/1069483150.db2.gz IDBPDMIKXWJJGB-KRWDZBQOSA-N 2 2 416.592 -0.320 20 0 HBADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000675193904 1069483099 /nfs/dbraw/zinc/48/30/99/1069483099.db2.gz IDBPDMIKXWJJGB-QGZVFWFLSA-N 2 2 416.592 -0.320 20 0 HBADLP CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675329554 1069486319 /nfs/dbraw/zinc/48/63/19/1069486319.db2.gz BLBOTRHCFQQTIS-KRWDZBQOSA-N 2 2 401.577 -0.810 20 0 HBADLP CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675329554 1069486313 /nfs/dbraw/zinc/48/63/13/1069486313.db2.gz BLBOTRHCFQQTIS-KRWDZBQOSA-N 2 2 401.577 -0.810 20 0 HBADLP CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675329562 1069486384 /nfs/dbraw/zinc/48/63/84/1069486384.db2.gz BLBOTRHCFQQTIS-QGZVFWFLSA-N 2 2 401.577 -0.810 20 0 HBADLP CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675329562 1069486380 /nfs/dbraw/zinc/48/63/80/1069486380.db2.gz BLBOTRHCFQQTIS-QGZVFWFLSA-N 2 2 401.577 -0.810 20 0 HBADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000676091859 1069511644 /nfs/dbraw/zinc/51/16/44/1069511644.db2.gz LHUPYOLBOMSDDI-UHFFFAOYSA-N 2 2 419.530 -0.460 20 0 HBADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000676091859 1069511639 /nfs/dbraw/zinc/51/16/39/1069511639.db2.gz LHUPYOLBOMSDDI-UHFFFAOYSA-N 2 2 419.530 -0.460 20 0 HBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091876 1069511594 /nfs/dbraw/zinc/51/15/94/1069511594.db2.gz LTXJLGZOTCSCAP-UHFFFAOYSA-N 2 2 421.546 -0.214 20 0 HBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091876 1069511592 /nfs/dbraw/zinc/51/15/92/1069511592.db2.gz LTXJLGZOTCSCAP-UHFFFAOYSA-N 2 2 421.546 -0.214 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000676501287 1069527965 /nfs/dbraw/zinc/52/79/65/1069527965.db2.gz QYSOQGIVKHGZOP-HNNXBMFYSA-N 2 2 410.544 -0.172 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000676501287 1069527961 /nfs/dbraw/zinc/52/79/61/1069527961.db2.gz QYSOQGIVKHGZOP-HNNXBMFYSA-N 2 2 410.544 -0.172 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000676501288 1069528004 /nfs/dbraw/zinc/52/80/04/1069528004.db2.gz QYSOQGIVKHGZOP-OAHLLOKOSA-N 2 2 410.544 -0.172 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000676501288 1069527998 /nfs/dbraw/zinc/52/79/98/1069527998.db2.gz QYSOQGIVKHGZOP-OAHLLOKOSA-N 2 2 410.544 -0.172 20 0 HBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000676546136 1069529873 /nfs/dbraw/zinc/52/98/73/1069529873.db2.gz OUTADUWHZCIXON-UHFFFAOYSA-N 2 2 413.482 -0.102 20 0 HBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000676546146 1069529912 /nfs/dbraw/zinc/52/99/12/1069529912.db2.gz QDEOFPKBBHWLLA-UHFFFAOYSA-N 2 2 413.482 -0.102 20 0 HBADLP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676639980 1069533013 /nfs/dbraw/zinc/53/30/13/1069533013.db2.gz HQUNBBOECMKQII-AWEZNQCLSA-N 2 2 414.510 -0.161 20 0 HBADLP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676639980 1069533005 /nfs/dbraw/zinc/53/30/05/1069533005.db2.gz HQUNBBOECMKQII-AWEZNQCLSA-N 2 2 414.510 -0.161 20 0 HBADLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676639981 1069532923 /nfs/dbraw/zinc/53/29/23/1069532923.db2.gz HQUNBBOECMKQII-CQSZACIVSA-N 2 2 414.510 -0.161 20 0 HBADLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676639981 1069532918 /nfs/dbraw/zinc/53/29/18/1069532918.db2.gz HQUNBBOECMKQII-CQSZACIVSA-N 2 2 414.510 -0.161 20 0 HBADLP CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683223039 1068248973 /nfs/dbraw/zinc/24/89/73/1068248973.db2.gz OKUGGCPFUNRLFK-INIZCTEOSA-N 2 2 404.581 -0.371 20 0 HBADLP CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683223039 1068248964 /nfs/dbraw/zinc/24/89/64/1068248964.db2.gz OKUGGCPFUNRLFK-INIZCTEOSA-N 2 2 404.581 -0.371 20 0 HBADLP CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683223041 1068249611 /nfs/dbraw/zinc/24/96/11/1068249611.db2.gz OKUGGCPFUNRLFK-MRXNPFEDSA-N 2 2 404.581 -0.371 20 0 HBADLP CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683223041 1068249604 /nfs/dbraw/zinc/24/96/04/1068249604.db2.gz OKUGGCPFUNRLFK-MRXNPFEDSA-N 2 2 404.581 -0.371 20 0 HBADLP C[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000683367428 1068292644 /nfs/dbraw/zinc/29/26/44/1068292644.db2.gz HAOUEQHWIZTLIG-FCGDIQPGSA-N 2 2 408.591 -0.588 20 0 HBADLP C[C@H](C(=O)N[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000683367431 1068292614 /nfs/dbraw/zinc/29/26/14/1068292614.db2.gz HAOUEQHWIZTLIG-MKXGPGLRSA-N 2 2 408.591 -0.588 20 0 HBADLP C[C@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000683367432 1068292521 /nfs/dbraw/zinc/29/25/21/1068292521.db2.gz HAOUEQHWIZTLIG-NCXUSEDFSA-N 2 2 408.591 -0.588 20 0 HBADLP C[C@H](C(=O)N[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000683367434 1068292681 /nfs/dbraw/zinc/29/26/81/1068292681.db2.gz HAOUEQHWIZTLIG-QGFMHUBQSA-N 2 2 408.591 -0.588 20 0 HBADLP C[NH+]1CCN(CC(=O)NC[C@H](NC(=O)CN2CC[NH+](C)CC2)C2CCCC2)CC1 ZINC000683501999 1068327039 /nfs/dbraw/zinc/32/70/39/1068327039.db2.gz DSIYKXZKILWQOA-IBGZPJMESA-N 2 2 408.591 -0.728 20 0 HBADLP C[NH+]1CCN(CC(=O)NC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C2CCCC2)CC1 ZINC000683502000 1068326972 /nfs/dbraw/zinc/32/69/72/1068326972.db2.gz DSIYKXZKILWQOA-LJQANCHMSA-N 2 2 408.591 -0.728 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441075 1068533055 /nfs/dbraw/zinc/53/30/55/1068533055.db2.gz WRYXISOQUQHBKA-FOIQADDNSA-N 2 2 421.542 -0.113 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441075 1068533048 /nfs/dbraw/zinc/53/30/48/1068533048.db2.gz WRYXISOQUQHBKA-FOIQADDNSA-N 2 2 421.542 -0.113 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441076 1068532975 /nfs/dbraw/zinc/53/29/75/1068532975.db2.gz WRYXISOQUQHBKA-MGPUTAFESA-N 2 2 421.542 -0.113 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441076 1068532965 /nfs/dbraw/zinc/53/29/65/1068532965.db2.gz WRYXISOQUQHBKA-MGPUTAFESA-N 2 2 421.542 -0.113 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441077 1068532722 /nfs/dbraw/zinc/53/27/22/1068532722.db2.gz WRYXISOQUQHBKA-QRWLVFNGSA-N 2 2 421.542 -0.113 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441077 1068532706 /nfs/dbraw/zinc/53/27/06/1068532706.db2.gz WRYXISOQUQHBKA-QRWLVFNGSA-N 2 2 421.542 -0.113 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441078 1068533029 /nfs/dbraw/zinc/53/30/29/1068533029.db2.gz WRYXISOQUQHBKA-YWZLYKJASA-N 2 2 421.542 -0.113 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000684441078 1068533025 /nfs/dbraw/zinc/53/30/25/1068533025.db2.gz WRYXISOQUQHBKA-YWZLYKJASA-N 2 2 421.542 -0.113 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@@H]2C[NH+](C)CCO2)nc2nc[nH]n21)[C@@H]1C[N@@H+](C)CCO1 ZINC000684578467 1068585859 /nfs/dbraw/zinc/58/58/59/1068585859.db2.gz RYQZDMZXNLWHKN-FZKCQIBNSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@@H]2C[NH+](C)CCO2)nc2nc[nH]n21)[C@@H]1C[N@H+](C)CCO1 ZINC000684578467 1068585845 /nfs/dbraw/zinc/58/58/45/1068585845.db2.gz RYQZDMZXNLWHKN-FZKCQIBNSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nc2nc[nH]n21)[C@@H]1C[NH+](C)CCO1 ZINC000684578467 1068585842 /nfs/dbraw/zinc/58/58/42/1068585842.db2.gz RYQZDMZXNLWHKN-FZKCQIBNSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nc2nc[nH]n21)[C@@H]1C[NH+](C)CCO1 ZINC000684578467 1068585830 /nfs/dbraw/zinc/58/58/30/1068585830.db2.gz RYQZDMZXNLWHKN-FZKCQIBNSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@H]2C[NH+](C)CCO2)nc2nc[nH]n21)[C@@H]1C[N@@H+](C)CCO1 ZINC000684578468 1068585706 /nfs/dbraw/zinc/58/57/06/1068585706.db2.gz RYQZDMZXNLWHKN-JJXSEGSLSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@H]2C[NH+](C)CCO2)nc2nc[nH]n21)[C@@H]1C[N@H+](C)CCO1 ZINC000684578468 1068585690 /nfs/dbraw/zinc/58/56/90/1068585690.db2.gz RYQZDMZXNLWHKN-JJXSEGSLSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nc2nc[nH]n21)[C@@H]1C[NH+](C)CCO1 ZINC000684578468 1068585677 /nfs/dbraw/zinc/58/56/77/1068585677.db2.gz RYQZDMZXNLWHKN-JJXSEGSLSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nc2nc[nH]n21)[C@@H]1C[NH+](C)CCO1 ZINC000684578468 1068585662 /nfs/dbraw/zinc/58/56/62/1068585662.db2.gz RYQZDMZXNLWHKN-JJXSEGSLSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@@H]2C[NH+](C)CCO2)nc2nc[nH]n21)[C@H]1C[N@@H+](C)CCO1 ZINC000684578469 1068586084 /nfs/dbraw/zinc/58/60/84/1068586084.db2.gz RYQZDMZXNLWHKN-XUWVNRHRSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@@H]2C[NH+](C)CCO2)nc2nc[nH]n21)[C@H]1C[N@H+](C)CCO1 ZINC000684578469 1068586072 /nfs/dbraw/zinc/58/60/72/1068586072.db2.gz RYQZDMZXNLWHKN-XUWVNRHRSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nc2nc[nH]n21)[C@H]1C[NH+](C)CCO1 ZINC000684578469 1068586056 /nfs/dbraw/zinc/58/60/56/1068586056.db2.gz RYQZDMZXNLWHKN-XUWVNRHRSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nc2nc[nH]n21)[C@H]1C[NH+](C)CCO1 ZINC000684578469 1068586047 /nfs/dbraw/zinc/58/60/47/1068586047.db2.gz RYQZDMZXNLWHKN-XUWVNRHRSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@H]2C[NH+](C)CCO2)nc2nc[nH]n21)[C@H]1C[N@@H+](C)CCO1 ZINC000684578470 1068585998 /nfs/dbraw/zinc/58/59/98/1068585998.db2.gz RYQZDMZXNLWHKN-ZJIFWQFVSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@H]2C[NH+](C)CCO2)nc2nc[nH]n21)[C@H]1C[N@H+](C)CCO1 ZINC000684578470 1068585989 /nfs/dbraw/zinc/58/59/89/1068585989.db2.gz RYQZDMZXNLWHKN-ZJIFWQFVSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nc2nc[nH]n21)[C@H]1C[NH+](C)CCO1 ZINC000684578470 1068585977 /nfs/dbraw/zinc/58/59/77/1068585977.db2.gz RYQZDMZXNLWHKN-ZJIFWQFVSA-N 2 2 404.519 -0.192 20 0 HBADLP C[C@@H](Nc1cc(=N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nc2nc[nH]n21)[C@H]1C[NH+](C)CCO1 ZINC000684578470 1068585964 /nfs/dbraw/zinc/58/59/64/1068585964.db2.gz RYQZDMZXNLWHKN-ZJIFWQFVSA-N 2 2 404.519 -0.192 20 0 HBADLP CN(C)c1nccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000685094197 1068766408 /nfs/dbraw/zinc/76/64/08/1068766408.db2.gz DFAKYZYSLLPENU-KRWDZBQOSA-N 2 2 403.531 -0.214 20 0 HBADLP CN(C)c1nccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000685094197 1068766405 /nfs/dbraw/zinc/76/64/05/1068766405.db2.gz DFAKYZYSLLPENU-KRWDZBQOSA-N 2 2 403.531 -0.214 20 0 HBADLP CN(C)c1nccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000685094198 1068766179 /nfs/dbraw/zinc/76/61/79/1068766179.db2.gz DFAKYZYSLLPENU-QGZVFWFLSA-N 2 2 403.531 -0.214 20 0 HBADLP CN(C)c1nccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000685094198 1068766165 /nfs/dbraw/zinc/76/61/65/1068766165.db2.gz DFAKYZYSLLPENU-QGZVFWFLSA-N 2 2 403.531 -0.214 20 0 HBADLP CN(C(=O)C(=O)NCC1(N2CCOCC2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685511195 1068901230 /nfs/dbraw/zinc/90/12/30/1068901230.db2.gz XBZLCFPGWIPVTR-GOSISDBHSA-N 2 2 407.559 -0.406 20 0 HBADLP CN(C(=O)C(=O)NCC1(N2CCOCC2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685511195 1068901218 /nfs/dbraw/zinc/90/12/18/1068901218.db2.gz XBZLCFPGWIPVTR-GOSISDBHSA-N 2 2 407.559 -0.406 20 0 HBADLP CN(C(=O)C(=O)NCC1(N2CCOCC2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685511196 1068901055 /nfs/dbraw/zinc/90/10/55/1068901055.db2.gz XBZLCFPGWIPVTR-SFHVURJKSA-N 2 2 407.559 -0.406 20 0 HBADLP CN(C(=O)C(=O)NCC1(N2CCOCC2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685511196 1068901041 /nfs/dbraw/zinc/90/10/41/1068901041.db2.gz XBZLCFPGWIPVTR-SFHVURJKSA-N 2 2 407.559 -0.406 20 0 HBADLP C[NH+](C)CC(C)(C)CNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000727075724 1069727117 /nfs/dbraw/zinc/72/71/17/1069727117.db2.gz RLLNMHGFSHCEGH-UHFFFAOYSA-N 2 2 420.649 -0.442 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000729604943 1069183226 /nfs/dbraw/zinc/18/32/26/1069183226.db2.gz DKYVTLSUPWXKPV-UHFFFAOYSA-N 2 2 405.565 -0.684 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000729604943 1069183218 /nfs/dbraw/zinc/18/32/18/1069183218.db2.gz DKYVTLSUPWXKPV-UHFFFAOYSA-N 2 2 405.565 -0.684 20 0 HBADLP CS(=O)(=O)N1CC[NH+](CCCCCC[NH+]2CCN(S(C)(=O)=O)CC2)CC1 ZINC000729815155 1069311147 /nfs/dbraw/zinc/31/11/47/1069311147.db2.gz PXIAAEWSSSEDKE-UHFFFAOYSA-N 2 2 410.606 -0.299 20 0 HBADLP CC(=O)N1CSC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980263 1069754645 /nfs/dbraw/zinc/75/46/45/1069754645.db2.gz QIONXSVKHVEZHZ-KRWDZBQOSA-N 2 2 411.572 -0.395 20 0 HBADLP CC(=O)N1CSC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980264 1069754713 /nfs/dbraw/zinc/75/47/13/1069754713.db2.gz QIONXSVKHVEZHZ-QGZVFWFLSA-N 2 2 411.572 -0.395 20 0 HBADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000730289534 1069760045 /nfs/dbraw/zinc/76/00/45/1069760045.db2.gz BJVUQKFRRBYURO-HKUYNNGSSA-N 2 2 408.543 -0.073 20 0 HBADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000730289535 1069760169 /nfs/dbraw/zinc/76/01/69/1069760169.db2.gz BJVUQKFRRBYURO-IEBWSBKVSA-N 2 2 408.543 -0.073 20 0 HBADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000730289536 1069760111 /nfs/dbraw/zinc/76/01/11/1069760111.db2.gz BJVUQKFRRBYURO-MJGOQNOKSA-N 2 2 408.543 -0.073 20 0 HBADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000730289537 1069759899 /nfs/dbraw/zinc/75/98/99/1069759899.db2.gz BJVUQKFRRBYURO-PKOBYXMFSA-N 2 2 408.543 -0.073 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000731760908 1069799538 /nfs/dbraw/zinc/79/95/38/1069799538.db2.gz HNCJWXAUDYRJQG-DLBZAZTESA-N 2 2 402.561 -0.264 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000731760909 1069799795 /nfs/dbraw/zinc/79/97/95/1069799795.db2.gz HNCJWXAUDYRJQG-IAGOWNOFSA-N 2 2 402.561 -0.264 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000731760910 1069799727 /nfs/dbraw/zinc/79/97/27/1069799727.db2.gz HNCJWXAUDYRJQG-IRXDYDNUSA-N 2 2 402.561 -0.264 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000731760911 1069799561 /nfs/dbraw/zinc/79/95/61/1069799561.db2.gz HNCJWXAUDYRJQG-SJORKVTESA-N 2 2 402.561 -0.264 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000732200743 1069826915 /nfs/dbraw/zinc/82/69/15/1069826915.db2.gz MPRDMJOZXSTEIL-FPCVCCKLSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000732200743 1069826877 /nfs/dbraw/zinc/82/68/77/1069826877.db2.gz MPRDMJOZXSTEIL-FPCVCCKLSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000732200743 1069826849 /nfs/dbraw/zinc/82/68/49/1069826849.db2.gz MPRDMJOZXSTEIL-FPCVCCKLSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000732200743 1069826818 /nfs/dbraw/zinc/82/68/18/1069826818.db2.gz MPRDMJOZXSTEIL-FPCVCCKLSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)CC[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000732200744 1069826457 /nfs/dbraw/zinc/82/64/57/1069826457.db2.gz MPRDMJOZXSTEIL-FZKCQIBNSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCS(=O)(=O)CC[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000732200744 1069826441 /nfs/dbraw/zinc/82/64/41/1069826441.db2.gz MPRDMJOZXSTEIL-FZKCQIBNSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000732200744 1069826422 /nfs/dbraw/zinc/82/64/22/1069826422.db2.gz MPRDMJOZXSTEIL-FZKCQIBNSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000732200744 1069826406 /nfs/dbraw/zinc/82/64/06/1069826406.db2.gz MPRDMJOZXSTEIL-FZKCQIBNSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)CC[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000732200745 1069825951 /nfs/dbraw/zinc/82/59/51/1069825951.db2.gz MPRDMJOZXSTEIL-SYMSYNOKSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCS(=O)(=O)CC[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000732200745 1069825921 /nfs/dbraw/zinc/82/59/21/1069825921.db2.gz MPRDMJOZXSTEIL-SYMSYNOKSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000732200745 1069825895 /nfs/dbraw/zinc/82/58/95/1069825895.db2.gz MPRDMJOZXSTEIL-SYMSYNOKSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000732200745 1069825859 /nfs/dbraw/zinc/82/58/59/1069825859.db2.gz MPRDMJOZXSTEIL-SYMSYNOKSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000732200746 1069826357 /nfs/dbraw/zinc/82/63/57/1069826357.db2.gz MPRDMJOZXSTEIL-WCVJEAGWSA-N 2 2 402.561 -0.427 20 0 HBADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCS(=O)(=O)CC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000732200746 1069826343 /nfs/dbraw/zinc/82/63/43/1069826343.db2.gz MPRDMJOZXSTEIL-WCVJEAGWSA-N 2 2 402.561 -0.427 20 0 HBADLP CNC(=O)[C@H]1CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000732207015 1069823224 /nfs/dbraw/zinc/82/32/24/1069823224.db2.gz KKVMCUWDVDIOTQ-HOTGVXAUSA-N 2 2 402.561 -0.683 20 0 HBADLP CNC(=O)[C@H]1CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000732207015 1069823203 /nfs/dbraw/zinc/82/32/03/1069823203.db2.gz KKVMCUWDVDIOTQ-HOTGVXAUSA-N 2 2 402.561 -0.683 20 0 HBADLP CNC(=O)[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000732207016 1069822842 /nfs/dbraw/zinc/82/28/42/1069822842.db2.gz KKVMCUWDVDIOTQ-HZPDHXFCSA-N 2 2 402.561 -0.683 20 0 HBADLP CNC(=O)[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000732207016 1069822819 /nfs/dbraw/zinc/82/28/19/1069822819.db2.gz KKVMCUWDVDIOTQ-HZPDHXFCSA-N 2 2 402.561 -0.683 20 0 HBADLP O=C(CC[NH+]1CCOCC1)NCC1(NC(=O)CC[NH+]2CCOCC2)CCOCC1 ZINC000733982411 1069897248 /nfs/dbraw/zinc/89/72/48/1069897248.db2.gz SNKDNIPCKAOUOV-UHFFFAOYSA-N 2 2 412.531 -0.787 20 0 HBADLP CNC(=O)C1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCC1 ZINC000734000461 1069898221 /nfs/dbraw/zinc/89/82/21/1069898221.db2.gz XWNHTFWLEMGFCH-UHFFFAOYSA-N 2 2 400.487 -0.340 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271960 1069904029 /nfs/dbraw/zinc/90/40/29/1069904029.db2.gz GUVGDLKNWNYPNV-HNNXBMFYSA-N 2 2 403.549 -0.884 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271960 1069904014 /nfs/dbraw/zinc/90/40/14/1069904014.db2.gz GUVGDLKNWNYPNV-HNNXBMFYSA-N 2 2 403.549 -0.884 20 0 HBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271970 1069904206 /nfs/dbraw/zinc/90/42/06/1069904206.db2.gz GUVGDLKNWNYPNV-OAHLLOKOSA-N 2 2 403.549 -0.884 20 0 HBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271970 1069904190 /nfs/dbraw/zinc/90/41/90/1069904190.db2.gz GUVGDLKNWNYPNV-OAHLLOKOSA-N 2 2 403.549 -0.884 20 0 HBADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)C1 ZINC000734669073 1069909209 /nfs/dbraw/zinc/90/92/09/1069909209.db2.gz PFGVXMPQLRZVFZ-GOSISDBHSA-N 2 2 415.604 -0.083 20 0 HBADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)C1 ZINC000734669073 1069909193 /nfs/dbraw/zinc/90/91/93/1069909193.db2.gz PFGVXMPQLRZVFZ-GOSISDBHSA-N 2 2 415.604 -0.083 20 0 HBADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)C1 ZINC000734669074 1069909104 /nfs/dbraw/zinc/90/91/04/1069909104.db2.gz PFGVXMPQLRZVFZ-SFHVURJKSA-N 2 2 415.604 -0.083 20 0 HBADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)C1 ZINC000734669074 1069909094 /nfs/dbraw/zinc/90/90/94/1069909094.db2.gz PFGVXMPQLRZVFZ-SFHVURJKSA-N 2 2 415.604 -0.083 20 0 HBADLP C[NH+]1CCC(CNC(=S)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000760477297 1069372465 /nfs/dbraw/zinc/37/24/65/1069372465.db2.gz XSGJJPGSBOAHGN-UHFFFAOYSA-N 2 2 418.633 -0.688 20 0 HBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000761684225 1071623523 /nfs/dbraw/zinc/62/35/23/1071623523.db2.gz WBYNCKACKNBHLI-UHFFFAOYSA-N 2 2 417.576 -0.699 20 0 HBADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(Oc3ccnc(C(N)=O)c3)CC1)C2=O ZINC000771624076 1070276484 /nfs/dbraw/zinc/27/64/84/1070276484.db2.gz LEQASQUXFZZPKD-UHFFFAOYSA-N 2 2 416.482 -0.003 20 0 HBADLP CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771766294 1070280135 /nfs/dbraw/zinc/28/01/35/1070280135.db2.gz LYNICXAHALLIKW-KRWDZBQOSA-N 2 2 417.576 -0.542 20 0 HBADLP CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771766294 1070280123 /nfs/dbraw/zinc/28/01/23/1070280123.db2.gz LYNICXAHALLIKW-KRWDZBQOSA-N 2 2 417.576 -0.542 20 0 HBADLP CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771766295 1070279979 /nfs/dbraw/zinc/27/99/79/1070279979.db2.gz LYNICXAHALLIKW-QGZVFWFLSA-N 2 2 417.576 -0.542 20 0 HBADLP CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771766295 1070279964 /nfs/dbraw/zinc/27/99/64/1070279964.db2.gz LYNICXAHALLIKW-QGZVFWFLSA-N 2 2 417.576 -0.542 20 0 HBADLP CCOC(=O)N1CCN(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000774738263 1071492040 /nfs/dbraw/zinc/49/20/40/1071492040.db2.gz OKLYXHTUBLKUDR-UHFFFAOYSA-N 2 2 405.565 -0.037 20 0 HBADLP CCOC(=O)N1CCN(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000774738263 1071492036 /nfs/dbraw/zinc/49/20/36/1071492036.db2.gz OKLYXHTUBLKUDR-UHFFFAOYSA-N 2 2 405.565 -0.037 20 0 HBADLP CC(C)[NH+](CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000774788132 1071502846 /nfs/dbraw/zinc/50/28/46/1071502846.db2.gz IFZWYABWZUWJHJ-UHFFFAOYSA-N 2 2 404.577 -0.153 20 0 HBADLP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCCC1 ZINC000774814373 1071504657 /nfs/dbraw/zinc/50/46/57/1071504657.db2.gz HQMUYJWUDZAGLW-UHFFFAOYSA-N 2 2 416.588 -0.008 20 0 HBADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000774857537 1071511985 /nfs/dbraw/zinc/51/19/85/1071511985.db2.gz GBCLWFTZRIJWQL-AQNXPRMDSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000774857537 1071511977 /nfs/dbraw/zinc/51/19/77/1071511977.db2.gz GBCLWFTZRIJWQL-AQNXPRMDSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000774857537 1071511964 /nfs/dbraw/zinc/51/19/64/1071511964.db2.gz GBCLWFTZRIJWQL-AQNXPRMDSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774857537 1071511952 /nfs/dbraw/zinc/51/19/52/1071511952.db2.gz GBCLWFTZRIJWQL-AQNXPRMDSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000774857549 1071512265 /nfs/dbraw/zinc/51/22/65/1071512265.db2.gz GBCLWFTZRIJWQL-VAMGGRTRSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000774857549 1071512256 /nfs/dbraw/zinc/51/22/56/1071512256.db2.gz GBCLWFTZRIJWQL-VAMGGRTRSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000774857549 1071512245 /nfs/dbraw/zinc/51/22/45/1071512245.db2.gz GBCLWFTZRIJWQL-VAMGGRTRSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000774857549 1071512235 /nfs/dbraw/zinc/51/22/35/1071512235.db2.gz GBCLWFTZRIJWQL-VAMGGRTRSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000774857553 1071512071 /nfs/dbraw/zinc/51/20/71/1071512071.db2.gz GBCLWFTZRIJWQL-XUVXKRRUSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000774857553 1071512063 /nfs/dbraw/zinc/51/20/63/1071512063.db2.gz GBCLWFTZRIJWQL-XUVXKRRUSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000774857553 1071512053 /nfs/dbraw/zinc/51/20/53/1071512053.db2.gz GBCLWFTZRIJWQL-XUVXKRRUSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000774857553 1071512041 /nfs/dbraw/zinc/51/20/41/1071512041.db2.gz GBCLWFTZRIJWQL-XUVXKRRUSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000774857557 1071512175 /nfs/dbraw/zinc/51/21/75/1071512175.db2.gz GBCLWFTZRIJWQL-ZCNNSNEGSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000774857557 1071512163 /nfs/dbraw/zinc/51/21/63/1071512163.db2.gz GBCLWFTZRIJWQL-ZCNNSNEGSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000774857557 1071512153 /nfs/dbraw/zinc/51/21/53/1071512153.db2.gz GBCLWFTZRIJWQL-ZCNNSNEGSA-N 2 2 416.522 -0.017 20 0 HBADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774857557 1071512134 /nfs/dbraw/zinc/51/21/34/1071512134.db2.gz GBCLWFTZRIJWQL-ZCNNSNEGSA-N 2 2 416.522 -0.017 20 0 HBADLP C[NH+](C)C1(CNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCC1 ZINC000774868392 1071514155 /nfs/dbraw/zinc/51/41/55/1071514155.db2.gz VEWFJXBFJWGZEK-UHFFFAOYSA-N 2 2 402.561 -0.398 20 0 HBADLP CC(C)(CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000774886715 1071516522 /nfs/dbraw/zinc/51/65/22/1071516522.db2.gz AMVVSXWECHKGGE-UHFFFAOYSA-N 2 2 416.588 -0.008 20 0 HBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000780435731 1071306846 /nfs/dbraw/zinc/30/68/46/1071306846.db2.gz IVFBLJBSUZZGIC-HNNXBMFYSA-N 2 2 404.577 -0.018 20 0 HBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000780435731 1071306826 /nfs/dbraw/zinc/30/68/26/1071306826.db2.gz IVFBLJBSUZZGIC-HNNXBMFYSA-N 2 2 404.577 -0.018 20 0 HBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000780435745 1071306983 /nfs/dbraw/zinc/30/69/83/1071306983.db2.gz IVFBLJBSUZZGIC-OAHLLOKOSA-N 2 2 404.577 -0.018 20 0 HBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000780435745 1071306964 /nfs/dbraw/zinc/30/69/64/1071306964.db2.gz IVFBLJBSUZZGIC-OAHLLOKOSA-N 2 2 404.577 -0.018 20 0 HBADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1CC(C)(C)O ZINC000780436551 1071331230 /nfs/dbraw/zinc/33/12/30/1071331230.db2.gz NODDXWPRGFBRSU-OAHLLOKOSA-N 2 2 404.577 -0.018 20 0 HBADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1CC(C)(C)O ZINC000780436551 1071331218 /nfs/dbraw/zinc/33/12/18/1071331218.db2.gz NODDXWPRGFBRSU-OAHLLOKOSA-N 2 2 404.577 -0.018 20 0 HBADLP CN(C(=O)C(=O)Nc1ccc(F)nc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000784424240 1071602287 /nfs/dbraw/zinc/60/22/87/1071602287.db2.gz GOFJVTPEDCTQBR-UHFFFAOYSA-N 2 2 420.489 -0.144 20 0 HBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000784971449 1068335693 /nfs/dbraw/zinc/33/56/93/1068335693.db2.gz MZUPDRSOJRGVBA-KRWDZBQOSA-N 2 2 419.526 -0.472 20 0 HBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000784971451 1068335437 /nfs/dbraw/zinc/33/54/37/1068335437.db2.gz MZUPDRSOJRGVBA-QGZVFWFLSA-N 2 2 419.526 -0.472 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000785516127 1070300240 /nfs/dbraw/zinc/30/02/40/1070300240.db2.gz FPBHCRMSGYOMTN-UHFFFAOYSA-N 2 2 402.561 -0.396 20 0 HBADLP CC1CC[NH+](CCCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000785522522 1070300584 /nfs/dbraw/zinc/30/05/84/1070300584.db2.gz ZZDODESMXUHHDA-UHFFFAOYSA-N 2 2 416.588 -0.150 20 0 HBADLP O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000785660553 1070308097 /nfs/dbraw/zinc/30/80/97/1070308097.db2.gz QPSSNHJCDWCXEP-INIZCTEOSA-N 2 2 422.526 -0.547 20 0 HBADLP O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000785660556 1070309350 /nfs/dbraw/zinc/30/93/50/1070309350.db2.gz QPSSNHJCDWCXEP-MRXNPFEDSA-N 2 2 422.526 -0.547 20 0 HBADLP CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785663100 1070310495 /nfs/dbraw/zinc/31/04/95/1070310495.db2.gz UZVILAFKIKRXJS-KRWDZBQOSA-N 2 2 424.542 -0.301 20 0 HBADLP CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785663106 1070310791 /nfs/dbraw/zinc/31/07/91/1070310791.db2.gz UZVILAFKIKRXJS-QGZVFWFLSA-N 2 2 424.542 -0.301 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000787140541 1070357862 /nfs/dbraw/zinc/35/78/62/1070357862.db2.gz SRYIJMTVBQASTO-AEFFLSMTSA-N 2 2 424.542 -0.158 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000787140541 1070357844 /nfs/dbraw/zinc/35/78/44/1070357844.db2.gz SRYIJMTVBQASTO-AEFFLSMTSA-N 2 2 424.542 -0.158 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000787140547 1070358086 /nfs/dbraw/zinc/35/80/86/1070358086.db2.gz SRYIJMTVBQASTO-FUHWJXTLSA-N 2 2 424.542 -0.158 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000787140547 1070358070 /nfs/dbraw/zinc/35/80/70/1070358070.db2.gz SRYIJMTVBQASTO-FUHWJXTLSA-N 2 2 424.542 -0.158 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000787140555 1070357782 /nfs/dbraw/zinc/35/77/82/1070357782.db2.gz SRYIJMTVBQASTO-SJLPKXTDSA-N 2 2 424.542 -0.158 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000787140555 1070357768 /nfs/dbraw/zinc/35/77/68/1070357768.db2.gz SRYIJMTVBQASTO-SJLPKXTDSA-N 2 2 424.542 -0.158 20 0 HBADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000787140561 1070357969 /nfs/dbraw/zinc/35/79/69/1070357969.db2.gz SRYIJMTVBQASTO-WMZOPIPTSA-N 2 2 424.542 -0.158 20 0 HBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000787140561 1070357958 /nfs/dbraw/zinc/35/79/58/1070357958.db2.gz SRYIJMTVBQASTO-WMZOPIPTSA-N 2 2 424.542 -0.158 20 0 HBADLP CC1CC[NH+](CCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000787664733 1070379441 /nfs/dbraw/zinc/37/94/41/1070379441.db2.gz SNXNYJUANHOQHN-UHFFFAOYSA-N 2 2 402.561 -0.540 20 0 HBADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000787667469 1070379730 /nfs/dbraw/zinc/37/97/30/1070379730.db2.gz CXHOMPRBTCTAPB-HNNXBMFYSA-N 2 2 402.561 -0.540 20 0 HBADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000787667469 1070379711 /nfs/dbraw/zinc/37/97/11/1070379711.db2.gz CXHOMPRBTCTAPB-HNNXBMFYSA-N 2 2 402.561 -0.540 20 0 HBADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000787667470 1070379913 /nfs/dbraw/zinc/37/99/13/1070379913.db2.gz CXHOMPRBTCTAPB-OAHLLOKOSA-N 2 2 402.561 -0.540 20 0 HBADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000787667470 1070379895 /nfs/dbraw/zinc/37/98/95/1070379895.db2.gz CXHOMPRBTCTAPB-OAHLLOKOSA-N 2 2 402.561 -0.540 20 0 HBADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000787750369 1070380075 /nfs/dbraw/zinc/38/00/75/1070380075.db2.gz GLHBIHCHHFZLRM-HNNXBMFYSA-N 2 2 402.561 -0.398 20 0 HBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000787750370 1070380143 /nfs/dbraw/zinc/38/01/43/1070380143.db2.gz GLHBIHCHHFZLRM-OAHLLOKOSA-N 2 2 402.561 -0.398 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000788010445 1070394935 /nfs/dbraw/zinc/39/49/35/1070394935.db2.gz KZEWJTIGIILZNR-PMACEKPBSA-N 2 2 415.538 -0.096 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000788010445 1070394919 /nfs/dbraw/zinc/39/49/19/1070394919.db2.gz KZEWJTIGIILZNR-PMACEKPBSA-N 2 2 415.538 -0.096 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000788010448 1070394786 /nfs/dbraw/zinc/39/47/86/1070394786.db2.gz KZEWJTIGIILZNR-UXHICEINSA-N 2 2 415.538 -0.096 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000788010448 1070394770 /nfs/dbraw/zinc/39/47/70/1070394770.db2.gz KZEWJTIGIILZNR-UXHICEINSA-N 2 2 415.538 -0.096 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000788010450 1070394548 /nfs/dbraw/zinc/39/45/48/1070394548.db2.gz KZEWJTIGIILZNR-VQTJNVASSA-N 2 2 415.538 -0.096 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000788010450 1070394527 /nfs/dbraw/zinc/39/45/27/1070394527.db2.gz KZEWJTIGIILZNR-VQTJNVASSA-N 2 2 415.538 -0.096 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000788010453 1070394436 /nfs/dbraw/zinc/39/44/36/1070394436.db2.gz KZEWJTIGIILZNR-WOJBJXKFSA-N 2 2 415.538 -0.096 20 0 HBADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000788010453 1070394423 /nfs/dbraw/zinc/39/44/23/1070394423.db2.gz KZEWJTIGIILZNR-WOJBJXKFSA-N 2 2 415.538 -0.096 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000790186331 1070461397 /nfs/dbraw/zinc/46/13/97/1070461397.db2.gz IVQSZQHOMWDXRZ-HNNXBMFYSA-N 2 2 402.561 -0.540 20 0 HBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000790186336 1070461476 /nfs/dbraw/zinc/46/14/76/1070461476.db2.gz IVQSZQHOMWDXRZ-OAHLLOKOSA-N 2 2 402.561 -0.540 20 0 HBADLP CN(C(=O)C(=O)Nc1cccc(F)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000793046032 1070521334 /nfs/dbraw/zinc/52/13/34/1070521334.db2.gz BYYCLZGBSRQDKK-UHFFFAOYSA-N 2 2 420.489 -0.144 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000793710199 1070529226 /nfs/dbraw/zinc/52/92/26/1070529226.db2.gz RGSTUICUPSXABJ-HNNXBMFYSA-N 2 2 402.561 -0.398 20 0 HBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000793710200 1070529334 /nfs/dbraw/zinc/52/93/34/1070529334.db2.gz RGSTUICUPSXABJ-OAHLLOKOSA-N 2 2 402.561 -0.398 20 0 HBADLP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000793836970 1070535576 /nfs/dbraw/zinc/53/55/76/1070535576.db2.gz AOAYYBPHDFVDOT-UHFFFAOYSA-N 2 2 424.567 -0.140 20 0 HBADLP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000793836970 1070535564 /nfs/dbraw/zinc/53/55/64/1070535564.db2.gz AOAYYBPHDFVDOT-UHFFFAOYSA-N 2 2 424.567 -0.140 20 0 HBADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793902902 1070541936 /nfs/dbraw/zinc/54/19/36/1070541936.db2.gz SXZVIWOZRQZSHB-CVEARBPZSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793902902 1070541917 /nfs/dbraw/zinc/54/19/17/1070541917.db2.gz SXZVIWOZRQZSHB-CVEARBPZSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793902903 1070542314 /nfs/dbraw/zinc/54/23/14/1070542314.db2.gz SXZVIWOZRQZSHB-HOTGVXAUSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793902903 1070542309 /nfs/dbraw/zinc/54/23/09/1070542309.db2.gz SXZVIWOZRQZSHB-HOTGVXAUSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793902904 1070542262 /nfs/dbraw/zinc/54/22/62/1070542262.db2.gz SXZVIWOZRQZSHB-HZPDHXFCSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793902904 1070542254 /nfs/dbraw/zinc/54/22/54/1070542254.db2.gz SXZVIWOZRQZSHB-HZPDHXFCSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793902905 1070542037 /nfs/dbraw/zinc/54/20/37/1070542037.db2.gz SXZVIWOZRQZSHB-JKSUJKDBSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000793902905 1070542017 /nfs/dbraw/zinc/54/20/17/1070542017.db2.gz SXZVIWOZRQZSHB-JKSUJKDBSA-N 2 2 416.588 -0.152 20 0 HBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000804423392 1070550376 /nfs/dbraw/zinc/55/03/76/1070550376.db2.gz NNYKAVWFNKXOPC-INIZCTEOSA-N 2 2 402.561 -0.398 20 0 HBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000804423392 1070550370 /nfs/dbraw/zinc/55/03/70/1070550370.db2.gz NNYKAVWFNKXOPC-INIZCTEOSA-N 2 2 402.561 -0.398 20 0 HBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000804423393 1070550227 /nfs/dbraw/zinc/55/02/27/1070550227.db2.gz NNYKAVWFNKXOPC-MRXNPFEDSA-N 2 2 402.561 -0.398 20 0 HBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000804423393 1070550219 /nfs/dbraw/zinc/55/02/19/1070550219.db2.gz NNYKAVWFNKXOPC-MRXNPFEDSA-N 2 2 402.561 -0.398 20 0 HBADLP C[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCC1 ZINC000804820142 1070573224 /nfs/dbraw/zinc/57/32/24/1070573224.db2.gz CUOHOBZGBNVVPW-UHFFFAOYSA-N 2 2 402.561 -0.398 20 0 HBADLP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCC1 ZINC000804820142 1070573214 /nfs/dbraw/zinc/57/32/14/1070573214.db2.gz CUOHOBZGBNVVPW-UHFFFAOYSA-N 2 2 402.561 -0.398 20 0 HBADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805374839 1070785801 /nfs/dbraw/zinc/78/58/01/1070785801.db2.gz RSFZSENXABWSOR-INIZCTEOSA-N 2 2 402.561 -0.446 20 0 HBADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805374841 1070785486 /nfs/dbraw/zinc/78/54/86/1070785486.db2.gz RSFZSENXABWSOR-MRXNPFEDSA-N 2 2 402.561 -0.446 20 0 HBADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805374972 1070596300 /nfs/dbraw/zinc/59/63/00/1070596300.db2.gz VVGMGODETCHAIX-SJORKVTESA-N 2 2 414.572 -0.303 20 0 HBADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805374972 1070596285 /nfs/dbraw/zinc/59/62/85/1070596285.db2.gz VVGMGODETCHAIX-SJORKVTESA-N 2 2 414.572 -0.303 20 0 HBADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375342 1070785542 /nfs/dbraw/zinc/78/55/42/1070785542.db2.gz JIPPXNOMRCDQEC-KRWDZBQOSA-N 2 2 416.588 -0.008 20 0 HBADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375342 1070785534 /nfs/dbraw/zinc/78/55/34/1070785534.db2.gz JIPPXNOMRCDQEC-KRWDZBQOSA-N 2 2 416.588 -0.008 20 0 HBADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375343 1070785843 /nfs/dbraw/zinc/78/58/43/1070785843.db2.gz JIPPXNOMRCDQEC-QGZVFWFLSA-N 2 2 416.588 -0.008 20 0 HBADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375343 1070785831 /nfs/dbraw/zinc/78/58/31/1070785831.db2.gz JIPPXNOMRCDQEC-QGZVFWFLSA-N 2 2 416.588 -0.008 20 0 HBADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375369 1070596548 /nfs/dbraw/zinc/59/65/48/1070596548.db2.gz KJVOTOKKTVYIQL-HOTGVXAUSA-N 2 2 416.588 -0.009 20 0 HBADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375370 1070597109 /nfs/dbraw/zinc/59/71/09/1070597109.db2.gz KJVOTOKKTVYIQL-HZPDHXFCSA-N 2 2 416.588 -0.009 20 0 HBADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375371 1070597279 /nfs/dbraw/zinc/59/72/79/1070597279.db2.gz KJVOTOKKTVYIQL-IYBDPMFKSA-N 2 2 416.588 -0.009 20 0 HBADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375371 1070597264 /nfs/dbraw/zinc/59/72/64/1070597264.db2.gz KJVOTOKKTVYIQL-IYBDPMFKSA-N 2 2 416.588 -0.009 20 0 HBADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805376206 1070597319 /nfs/dbraw/zinc/59/73/19/1070597319.db2.gz OQURHMKZPKTIOG-UHFFFAOYSA-N 2 2 404.577 -0.342 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+]1CCCCC1 ZINC000805376256 1070786145 /nfs/dbraw/zinc/78/61/45/1070786145.db2.gz QLOLRQJFNRQMFL-INIZCTEOSA-N 2 2 416.588 -0.150 20 0 HBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+]1CCCCC1 ZINC000805376257 1070786485 /nfs/dbraw/zinc/78/64/85/1070786485.db2.gz QLOLRQJFNRQMFL-MRXNPFEDSA-N 2 2 416.588 -0.150 20 0 HBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC000805376379 1070786331 /nfs/dbraw/zinc/78/63/31/1070786331.db2.gz VMLOLCDGYTYUAX-CABCVRRESA-N 2 2 402.561 -0.447 20 0 HBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC000805376379 1070786320 /nfs/dbraw/zinc/78/63/20/1070786320.db2.gz VMLOLCDGYTYUAX-CABCVRRESA-N 2 2 402.561 -0.447 20 0 HBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H]1C ZINC000805376380 1070786245 /nfs/dbraw/zinc/78/62/45/1070786245.db2.gz VMLOLCDGYTYUAX-GJZGRUSLSA-N 2 2 402.561 -0.447 20 0 HBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H]1C ZINC000805376380 1070786238 /nfs/dbraw/zinc/78/62/38/1070786238.db2.gz VMLOLCDGYTYUAX-GJZGRUSLSA-N 2 2 402.561 -0.447 20 0 HBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC000805376381 1070786400 /nfs/dbraw/zinc/78/64/00/1070786400.db2.gz VMLOLCDGYTYUAX-HUUCEWRRSA-N 2 2 402.561 -0.447 20 0 HBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC000805376381 1070786391 /nfs/dbraw/zinc/78/63/91/1070786391.db2.gz VMLOLCDGYTYUAX-HUUCEWRRSA-N 2 2 402.561 -0.447 20 0 HBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H]1C ZINC000805376382 1070786556 /nfs/dbraw/zinc/78/65/56/1070786556.db2.gz VMLOLCDGYTYUAX-LSDHHAIUSA-N 2 2 402.561 -0.447 20 0 HBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H]1C ZINC000805376382 1070786547 /nfs/dbraw/zinc/78/65/47/1070786547.db2.gz VMLOLCDGYTYUAX-LSDHHAIUSA-N 2 2 402.561 -0.447 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000805378793 1070596980 /nfs/dbraw/zinc/59/69/80/1070596980.db2.gz MTRRQBBCVRAOHP-KRWDZBQOSA-N 2 2 414.572 -0.302 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000805378794 1070597052 /nfs/dbraw/zinc/59/70/52/1070597052.db2.gz MTRRQBBCVRAOHP-QGZVFWFLSA-N 2 2 414.572 -0.302 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000805379241 1070597191 /nfs/dbraw/zinc/59/71/91/1070597191.db2.gz VCZMKFKAQLCOHE-UHFFFAOYSA-N 2 2 423.539 -0.645 20 0 HBADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805379294 1070597366 /nfs/dbraw/zinc/59/73/66/1070597366.db2.gz ASZQTNNVAAULGM-CVEARBPZSA-N 2 2 402.561 -0.399 20 0 HBADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805379295 1070597076 /nfs/dbraw/zinc/59/70/76/1070597076.db2.gz ASZQTNNVAAULGM-HOTGVXAUSA-N 2 2 402.561 -0.399 20 0 HBADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805379296 1070596925 /nfs/dbraw/zinc/59/69/25/1070596925.db2.gz ASZQTNNVAAULGM-HZPDHXFCSA-N 2 2 402.561 -0.399 20 0 HBADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805379297 1070597208 /nfs/dbraw/zinc/59/72/08/1070597208.db2.gz ASZQTNNVAAULGM-JKSUJKDBSA-N 2 2 402.561 -0.399 20 0 HBADLP CC(C)(CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000805380437 1070597777 /nfs/dbraw/zinc/59/77/77/1070597777.db2.gz PVNMSGATJHJIGM-UHFFFAOYSA-N 2 2 416.588 -0.150 20 0 HBADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805380656 1070597961 /nfs/dbraw/zinc/59/79/61/1070597961.db2.gz FJKQFGFKMMKYHA-INIZCTEOSA-N 2 2 402.561 -0.399 20 0 HBADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805380657 1070789326 /nfs/dbraw/zinc/78/93/26/1070789326.db2.gz FJKQFGFKMMKYHA-MRXNPFEDSA-N 2 2 402.561 -0.399 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000805380752 1070789444 /nfs/dbraw/zinc/78/94/44/1070789444.db2.gz WUFMEZOZIVZKSE-UHFFFAOYSA-N 2 2 414.572 -0.302 20 0 HBADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805380789 1070598177 /nfs/dbraw/zinc/59/81/77/1070598177.db2.gz XWTQBJFARIWOGG-UHFFFAOYSA-N 2 2 402.561 -0.446 20 0 HBADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805380789 1070598164 /nfs/dbraw/zinc/59/81/64/1070598164.db2.gz XWTQBJFARIWOGG-UHFFFAOYSA-N 2 2 402.561 -0.446 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000805381024 1070598063 /nfs/dbraw/zinc/59/80/63/1070598063.db2.gz AICZFMUJRPSUER-KRWDZBQOSA-N 2 2 414.572 -0.302 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000805381025 1070789242 /nfs/dbraw/zinc/78/92/42/1070789242.db2.gz AICZFMUJRPSUER-QGZVFWFLSA-N 2 2 414.572 -0.302 20 0 HBADLP C[NH+](C)CC1(CNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCC1 ZINC000805381105 1070598211 /nfs/dbraw/zinc/59/82/11/1070598211.db2.gz BRIFXLYFWGDNGE-UHFFFAOYSA-N 2 2 416.588 -0.150 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000805381290 1070597759 /nfs/dbraw/zinc/59/77/59/1070597759.db2.gz NCBABLAAVHPYAD-KRWDZBQOSA-N 2 2 414.572 -0.302 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000805381291 1070597999 /nfs/dbraw/zinc/59/79/99/1070597999.db2.gz NCBABLAAVHPYAD-QGZVFWFLSA-N 2 2 414.572 -0.302 20 0 HBADLP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805381845 1070598800 /nfs/dbraw/zinc/59/88/00/1070598800.db2.gz VOFJRIVGSUYQJQ-UHFFFAOYSA-N 2 2 416.588 -0.056 20 0 HBADLP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805381845 1070598788 /nfs/dbraw/zinc/59/87/88/1070598788.db2.gz VOFJRIVGSUYQJQ-UHFFFAOYSA-N 2 2 416.588 -0.056 20 0 HBADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805381880 1070598737 /nfs/dbraw/zinc/59/87/37/1070598737.db2.gz MJTQTEGUAKHRFG-HNNXBMFYSA-N 2 2 402.561 -0.398 20 0 HBADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805381884 1070598861 /nfs/dbraw/zinc/59/88/61/1070598861.db2.gz MJTQTEGUAKHRFG-OAHLLOKOSA-N 2 2 402.561 -0.398 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000805382369 1070598672 /nfs/dbraw/zinc/59/86/72/1070598672.db2.gz PCWNPHMPJAIPML-CVEARBPZSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000805382369 1070598658 /nfs/dbraw/zinc/59/86/58/1070598658.db2.gz PCWNPHMPJAIPML-CVEARBPZSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000805382370 1070598573 /nfs/dbraw/zinc/59/85/73/1070598573.db2.gz PCWNPHMPJAIPML-HOTGVXAUSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000805382370 1070598560 /nfs/dbraw/zinc/59/85/60/1070598560.db2.gz PCWNPHMPJAIPML-HOTGVXAUSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000805382371 1070598987 /nfs/dbraw/zinc/59/89/87/1070598987.db2.gz PCWNPHMPJAIPML-HZPDHXFCSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000805382371 1070598980 /nfs/dbraw/zinc/59/89/80/1070598980.db2.gz PCWNPHMPJAIPML-HZPDHXFCSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000805382372 1070599098 /nfs/dbraw/zinc/59/90/98/1070599098.db2.gz PCWNPHMPJAIPML-JKSUJKDBSA-N 2 2 416.588 -0.152 20 0 HBADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000805382372 1070599092 /nfs/dbraw/zinc/59/90/92/1070599092.db2.gz PCWNPHMPJAIPML-JKSUJKDBSA-N 2 2 416.588 -0.152 20 0 HBADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805382389 1070599495 /nfs/dbraw/zinc/59/94/95/1070599495.db2.gz PVEXUIGIGQIEME-INIZCTEOSA-N 2 2 416.588 -0.152 20 0 HBADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805382389 1070599489 /nfs/dbraw/zinc/59/94/89/1070599489.db2.gz PVEXUIGIGQIEME-INIZCTEOSA-N 2 2 416.588 -0.152 20 0 HBADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805382390 1070599593 /nfs/dbraw/zinc/59/95/93/1070599593.db2.gz PVEXUIGIGQIEME-MRXNPFEDSA-N 2 2 416.588 -0.152 20 0 HBADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805382390 1070599578 /nfs/dbraw/zinc/59/95/78/1070599578.db2.gz PVEXUIGIGQIEME-MRXNPFEDSA-N 2 2 416.588 -0.152 20 0 HBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805382876 1070599887 /nfs/dbraw/zinc/59/98/87/1070599887.db2.gz WOCOIGDWAAVENH-UHFFFAOYSA-N 2 2 402.561 -0.588 20 0 HBADLP C[C@@H](CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000805382930 1070595236 /nfs/dbraw/zinc/59/52/36/1070595236.db2.gz XIWHIRPHMKSBRQ-INIZCTEOSA-N 2 2 416.588 -0.008 20 0 HBADLP C[C@H](CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000805382932 1070595189 /nfs/dbraw/zinc/59/51/89/1070595189.db2.gz XIWHIRPHMKSBRQ-MRXNPFEDSA-N 2 2 416.588 -0.008 20 0 HBADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805383065 1070599032 /nfs/dbraw/zinc/59/90/32/1070599032.db2.gz MGIIPWRDVXFKPZ-KRWDZBQOSA-N 2 2 416.588 -0.056 20 0 HBADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805383065 1070599022 /nfs/dbraw/zinc/59/90/22/1070599022.db2.gz MGIIPWRDVXFKPZ-KRWDZBQOSA-N 2 2 416.588 -0.056 20 0 HBADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805383066 1070598923 /nfs/dbraw/zinc/59/89/23/1070598923.db2.gz MGIIPWRDVXFKPZ-QGZVFWFLSA-N 2 2 416.588 -0.056 20 0 HBADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805383066 1070598917 /nfs/dbraw/zinc/59/89/17/1070598917.db2.gz MGIIPWRDVXFKPZ-QGZVFWFLSA-N 2 2 416.588 -0.056 20 0 HBADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)(C)C[NH+](C)C ZINC000805383099 1070789909 /nfs/dbraw/zinc/78/99/09/1070789909.db2.gz NOVCMFCZKVPOSF-AWEZNQCLSA-N 2 2 404.577 -0.296 20 0 HBADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)(C)C[NH+](C)C ZINC000805383100 1070789836 /nfs/dbraw/zinc/78/98/36/1070789836.db2.gz NOVCMFCZKVPOSF-CQSZACIVSA-N 2 2 404.577 -0.296 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000805383496 1070595697 /nfs/dbraw/zinc/59/56/97/1070595697.db2.gz DIRSYRWHLJUDLA-KRWDZBQOSA-N 2 2 414.572 -0.255 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000805383496 1070595688 /nfs/dbraw/zinc/59/56/88/1070595688.db2.gz DIRSYRWHLJUDLA-KRWDZBQOSA-N 2 2 414.572 -0.255 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000805383497 1070595804 /nfs/dbraw/zinc/59/58/04/1070595804.db2.gz DIRSYRWHLJUDLA-QGZVFWFLSA-N 2 2 414.572 -0.255 20 0 HBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000805383497 1070595797 /nfs/dbraw/zinc/59/57/97/1070595797.db2.gz DIRSYRWHLJUDLA-QGZVFWFLSA-N 2 2 414.572 -0.255 20 0 HBADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805383739 1070595619 /nfs/dbraw/zinc/59/56/19/1070595619.db2.gz NHSGAJSWKSSRJC-UHFFFAOYSA-N 2 2 416.588 -0.054 20 0 HBADLP 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1071836579 /nfs/dbraw/zinc/83/65/79/1071836579.db2.gz ZQMPSSGZKIXMSW-OVYGPGRDSA-N 2 2 402.561 -0.244 20 0 HBADLP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110708381 1071836568 /nfs/dbraw/zinc/83/65/68/1071836568.db2.gz ZQMPSSGZKIXMSW-OVYGPGRDSA-N 2 2 402.561 -0.244 20 0 HBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(=O)(=O)N(C)C)O1 ZINC001110709473 1071837216 /nfs/dbraw/zinc/83/72/16/1071837216.db2.gz AGKMNYXTXKLLEF-OVYGPGRDSA-N 2 2 402.561 -0.292 20 0 HBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(=O)(=O)N(C)C)O1 ZINC001110709473 1071837202 /nfs/dbraw/zinc/83/72/02/1071837202.db2.gz AGKMNYXTXKLLEF-OVYGPGRDSA-N 2 2 402.561 -0.292 20 0 HBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(=O)(=O)N(C)C)O1 ZINC001110709473 1071837192 /nfs/dbraw/zinc/83/71/92/1071837192.db2.gz AGKMNYXTXKLLEF-OVYGPGRDSA-N 2 2 402.561 -0.292 20 0 HBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(=O)(=O)N(C)C)O1 ZINC001110709473 1071837173 /nfs/dbraw/zinc/83/71/73/1071837173.db2.gz AGKMNYXTXKLLEF-OVYGPGRDSA-N 2 2 402.561 -0.292 20 0 HBADLP CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128012130 1069114195 /nfs/dbraw/zinc/11/41/95/1069114195.db2.gz XWKJTVLEOBPIBZ-BBWFWOEESA-N 2 2 414.572 -0.305 20 0 HBADLP CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128012130 1069114187 /nfs/dbraw/zinc/11/41/87/1069114187.db2.gz XWKJTVLEOBPIBZ-BBWFWOEESA-N 2 2 414.572 -0.305 20 0 HBADLP CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128012131 1069113918 /nfs/dbraw/zinc/11/39/18/1069113918.db2.gz XWKJTVLEOBPIBZ-GVDBMIGSSA-N 2 2 414.572 -0.305 20 0 HBADLP CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128012131 1069113906 /nfs/dbraw/zinc/11/39/06/1069113906.db2.gz XWKJTVLEOBPIBZ-GVDBMIGSSA-N 2 2 414.572 -0.305 20 0 HBADLP CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128012132 1069114057 /nfs/dbraw/zinc/11/40/57/1069114057.db2.gz XWKJTVLEOBPIBZ-ULQDDVLXSA-N 2 2 414.572 -0.305 20 0 HBADLP CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128012132 1069114051 /nfs/dbraw/zinc/11/40/51/1069114051.db2.gz XWKJTVLEOBPIBZ-ULQDDVLXSA-N 2 2 414.572 -0.305 20 0 HBADLP CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001128012133 1069114290 /nfs/dbraw/zinc/11/42/90/1069114290.db2.gz XWKJTVLEOBPIBZ-YESZJQIVSA-N 2 2 414.572 -0.305 20 0 HBADLP CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001128012133 1069114286 /nfs/dbraw/zinc/11/42/86/1069114286.db2.gz XWKJTVLEOBPIBZ-YESZJQIVSA-N 2 2 414.572 -0.305 20 0 HBADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C[N@H+]2C1 ZINC001136201583 1070978691 /nfs/dbraw/zinc/97/86/91/1070978691.db2.gz NYUFOUNJRPOACJ-FGTMMUONSA-N 2 2 413.588 -0.257 20 0 HBADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C[N@@H+]2C1 ZINC001136201583 1070978681 /nfs/dbraw/zinc/97/86/81/1070978681.db2.gz NYUFOUNJRPOACJ-FGTMMUONSA-N 2 2 413.588 -0.257 20 0 HBADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C[N@H+]2C1 ZINC001136201584 1070978782 /nfs/dbraw/zinc/97/87/82/1070978782.db2.gz NYUFOUNJRPOACJ-KURKYZTESA-N 2 2 413.588 -0.257 20 0 HBADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C[N@@H+]2C1 ZINC001136201584 1070978770 /nfs/dbraw/zinc/97/87/70/1070978770.db2.gz NYUFOUNJRPOACJ-KURKYZTESA-N 2 2 413.588 -0.257 20 0 HBADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C[N@H+]2C1 ZINC001136201585 1070978455 /nfs/dbraw/zinc/97/84/55/1070978455.db2.gz NYUFOUNJRPOACJ-KZNAEPCWSA-N 2 2 413.588 -0.257 20 0 HBADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C[N@@H+]2C1 ZINC001136201585 1070978452 /nfs/dbraw/zinc/97/84/52/1070978452.db2.gz NYUFOUNJRPOACJ-KZNAEPCWSA-N 2 2 413.588 -0.257 20 0 HBADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C[N@H+]2C1 ZINC001136201586 1070978397 /nfs/dbraw/zinc/97/83/97/1070978397.db2.gz NYUFOUNJRPOACJ-SQNIBIBYSA-N 2 2 413.588 -0.257 20 0 HBADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C[N@@H+]2C1 ZINC001136201586 1070978388 /nfs/dbraw/zinc/97/83/88/1070978388.db2.gz NYUFOUNJRPOACJ-SQNIBIBYSA-N 2 2 413.588 -0.257 20 0 HBADLP Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001136491348 1071004381 /nfs/dbraw/zinc/00/43/81/1071004381.db2.gz NUDUQKQSIRGEGO-UHFFFAOYSA-N 2 2 411.528 -0.470 20 0 HBADLP CN(C(=O)Cc1nc(C2CC2)nn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638566 1071010678 /nfs/dbraw/zinc/01/06/78/1071010678.db2.gz FBZHSTGTLSSNLO-UHFFFAOYSA-N 2 2 417.558 -0.068 20 0 HBADLP COC(=O)[C@@H]1O[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC001136638817 1071010854 /nfs/dbraw/zinc/01/08/54/1071010854.db2.gz NVQWVKRFNCEGEK-SZVBFZGTSA-N 2 2 424.542 -0.350 20 0 HBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001136638884 1071010776 /nfs/dbraw/zinc/01/07/76/1071010776.db2.gz QBSGLSKVHWZACL-GOSISDBHSA-N 2 2 409.575 -0.349 20 0 HBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001136638885 1071010205 /nfs/dbraw/zinc/01/02/05/1071010205.db2.gz QBSGLSKVHWZACL-SFHVURJKSA-N 2 2 409.575 -0.349 20 0 HBADLP CCC[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC001136638890 1071010621 /nfs/dbraw/zinc/01/06/21/1071010621.db2.gz QPZVCFASRYRBOJ-INIZCTEOSA-N 2 2 417.576 -0.860 20 0 HBADLP CCC[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC001136638891 1071010323 /nfs/dbraw/zinc/01/03/23/1071010323.db2.gz QPZVCFASRYRBOJ-MRXNPFEDSA-N 2 2 417.576 -0.860 20 0 HBADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cn1 ZINC001136833437 1071020942 /nfs/dbraw/zinc/02/09/42/1071020942.db2.gz PIYOUXRHGLPSMQ-SJORKVTESA-N 2 2 408.503 -0.621 20 0 HBADLP COC(=O)c1cnn(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001144084539 1071039190 /nfs/dbraw/zinc/03/91/90/1071039190.db2.gz IBLDTYJXHUERTO-UHFFFAOYSA-N 2 2 420.514 -0.634 20 0 HBADLP CN(C(=O)COC1CC[NH+](C)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144084744 1071039139 /nfs/dbraw/zinc/03/91/39/1071039139.db2.gz LKVHSUQRNWKKHP-UHFFFAOYSA-N 3 2 409.575 -0.206 20 0 HBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001144203799 1071042791 /nfs/dbraw/zinc/04/27/91/1071042791.db2.gz DROBKVIJTVZSDT-KZNAEPCWSA-N 2 2 406.531 -0.605 20 0 HBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001144203799 1071042782 /nfs/dbraw/zinc/04/27/82/1071042782.db2.gz DROBKVIJTVZSDT-KZNAEPCWSA-N 2 2 406.531 -0.605 20 0 HBADLP CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145062259 1071071154 /nfs/dbraw/zinc/07/11/54/1071071154.db2.gz ARNOYRBXXJNMGK-HNNXBMFYSA-N 2 2 410.544 -0.242 20 0 HBADLP CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145062259 1071071145 /nfs/dbraw/zinc/07/11/45/1071071145.db2.gz ARNOYRBXXJNMGK-HNNXBMFYSA-N 2 2 410.544 -0.242 20 0 HBADLP CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145062271 1071070961 /nfs/dbraw/zinc/07/09/61/1071070961.db2.gz ARNOYRBXXJNMGK-OAHLLOKOSA-N 2 2 410.544 -0.242 20 0 HBADLP CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145062271 1071070945 /nfs/dbraw/zinc/07/09/45/1071070945.db2.gz ARNOYRBXXJNMGK-OAHLLOKOSA-N 2 2 410.544 -0.242 20 0 HBADLP CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145063332 1071072331 /nfs/dbraw/zinc/07/23/31/1071072331.db2.gz FZWQSJWXRHETPI-RDJZCZTQSA-N 2 2 407.490 -0.062 20 0 HBADLP CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145063332 1071072322 /nfs/dbraw/zinc/07/23/22/1071072322.db2.gz FZWQSJWXRHETPI-RDJZCZTQSA-N 2 2 407.490 -0.062 20 0 HBADLP CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001145063340 1071071954 /nfs/dbraw/zinc/07/19/54/1071071954.db2.gz FZWQSJWXRHETPI-WBVHZDCISA-N 2 2 407.490 -0.062 20 0 HBADLP CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001145063340 1071071938 /nfs/dbraw/zinc/07/19/38/1071071938.db2.gz FZWQSJWXRHETPI-WBVHZDCISA-N 2 2 407.490 -0.062 20 0 HBADLP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@H]2NCN[C@@H]21 ZINC001146509702 1071091618 /nfs/dbraw/zinc/09/16/18/1071091618.db2.gz GFJJZZSHGXXFOF-GJTYKATRSA-N 2 2 420.517 -0.012 20 0 HBADLP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@H]2NCN[C@@H]21 ZINC001146509702 1071091614 /nfs/dbraw/zinc/09/16/14/1071091614.db2.gz GFJJZZSHGXXFOF-GJTYKATRSA-N 2 2 420.517 -0.012 20 0 HBADLP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@H]2NCN[C@H]21 ZINC001146509704 1071091971 /nfs/dbraw/zinc/09/19/71/1071091971.db2.gz GFJJZZSHGXXFOF-RRPPUSTOSA-N 2 2 420.517 -0.012 20 0 HBADLP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@H]2NCN[C@H]21 ZINC001146509704 1071091962 /nfs/dbraw/zinc/09/19/62/1071091962.db2.gz GFJJZZSHGXXFOF-RRPPUSTOSA-N 2 2 420.517 -0.012 20 0 HBADLP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@@H]2NCN[C@H]21 ZINC001146509705 1071091688 /nfs/dbraw/zinc/09/16/88/1071091688.db2.gz GFJJZZSHGXXFOF-YBNCXLCVSA-N 2 2 420.517 -0.012 20 0 HBADLP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@@H]2NCN[C@H]21 ZINC001146509705 1071091677 /nfs/dbraw/zinc/09/16/77/1071091677.db2.gz GFJJZZSHGXXFOF-YBNCXLCVSA-N 2 2 420.517 -0.012 20 0 HBADLP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@@H]2NCN[C@@H]21 ZINC001146509706 1071091847 /nfs/dbraw/zinc/09/18/47/1071091847.db2.gz GFJJZZSHGXXFOF-YFZQLAKJSA-N 2 2 420.517 -0.012 20 0 HBADLP [NH3+][C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@@H]2NCN[C@@H]21 ZINC001146509706 1071091838 /nfs/dbraw/zinc/09/18/38/1071091838.db2.gz GFJJZZSHGXXFOF-YFZQLAKJSA-N 2 2 420.517 -0.012 20 0 HBADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC001147114004 1071105771 /nfs/dbraw/zinc/10/57/71/1071105771.db2.gz UVCARKRSDINHRT-HNNXBMFYSA-N 2 2 408.503 -0.226 20 0 HBADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC001147114004 1071105767 /nfs/dbraw/zinc/10/57/67/1071105767.db2.gz UVCARKRSDINHRT-HNNXBMFYSA-N 2 2 408.503 -0.226 20 0 HBADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC001147114005 1071105977 /nfs/dbraw/zinc/10/59/77/1071105977.db2.gz UVCARKRSDINHRT-OAHLLOKOSA-N 2 2 408.503 -0.226 20 0 HBADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC001147114005 1071105970 /nfs/dbraw/zinc/10/59/70/1071105970.db2.gz UVCARKRSDINHRT-OAHLLOKOSA-N 2 2 408.503 -0.226 20 0 HBADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)C1=O ZINC001164633916 719270150 /nfs/dbraw/zinc/27/01/50/719270150.db2.gz JSNXBMMDDDZEPP-UHFFFAOYSA-N 2 2 403.531 -0.354 20 0 HBADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)C1=O ZINC001164633916 719270145 /nfs/dbraw/zinc/27/01/45/719270145.db2.gz JSNXBMMDDDZEPP-UHFFFAOYSA-N 2 2 403.531 -0.354 20 0 HBADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)C1=O ZINC001164635458 719268727 /nfs/dbraw/zinc/26/87/27/719268727.db2.gz RIFHQPQHUXKWDL-UHFFFAOYSA-N 2 2 417.558 -0.012 20 0 HBADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)C1=O ZINC001164635458 719268725 /nfs/dbraw/zinc/26/87/25/719268725.db2.gz RIFHQPQHUXKWDL-UHFFFAOYSA-N 2 2 417.558 -0.012 20 0 HBADLP COCCN1CC[N@@H+](C)C2(CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C1=O ZINC001164640152 719276140 /nfs/dbraw/zinc/27/61/40/719276140.db2.gz NVUJJUPJIJYLPC-UHFFFAOYSA-N 2 2 403.531 -0.354 20 0 HBADLP COCCN1CC[N@H+](C)C2(CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C1=O ZINC001164640152 719276139 /nfs/dbraw/zinc/27/61/39/719276139.db2.gz NVUJJUPJIJYLPC-UHFFFAOYSA-N 2 2 403.531 -0.354 20 0 HBADLP C[NH+]1CCN(c2ccc(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)nn2)CC1 ZINC001164654720 719327238 /nfs/dbraw/zinc/32/72/38/719327238.db2.gz MSHRLMFEFODZLI-UHFFFAOYSA-N 2 2 407.500 -0.172 20 0 HBADLP C[NH+]1CCN(c2nccc(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)n2)CC1 ZINC001164655549 719327054 /nfs/dbraw/zinc/32/70/54/719327054.db2.gz QMZBBAZIACNGIC-UHFFFAOYSA-N 2 2 407.500 -0.172 20 0 HBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164705278 719929692 /nfs/dbraw/zinc/92/96/92/719929692.db2.gz XJOXIDVARZJELV-UHFFFAOYSA-N 2 2 410.526 -0.151 20 0 HBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164720320 720217268 /nfs/dbraw/zinc/21/72/68/720217268.db2.gz YGTJHROGZWZZKS-NRFANRHFSA-N 2 2 417.558 -0.107 20 0 HBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164720320 720217264 /nfs/dbraw/zinc/21/72/64/720217264.db2.gz YGTJHROGZWZZKS-NRFANRHFSA-N 2 2 417.558 -0.107 20 0 HBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164720321 720217802 /nfs/dbraw/zinc/21/78/02/720217802.db2.gz YGTJHROGZWZZKS-OAQYLSRUSA-N 2 2 417.558 -0.107 20 0 HBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164720321 720217799 /nfs/dbraw/zinc/21/77/99/720217799.db2.gz YGTJHROGZWZZKS-OAQYLSRUSA-N 2 2 417.558 -0.107 20 0 HBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H](O)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001167090029 1068266033 /nfs/dbraw/zinc/26/60/33/1068266033.db2.gz YRDOEIOMNBUYIT-GUYJKWIASA-N 2 2 403.439 -0.571 20 0 HBADLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356014 1069545972 /nfs/dbraw/zinc/54/59/72/1069545972.db2.gz IXTXGIFDWAKASD-NPNMTCQASA-N 2 2 403.487 -0.508 20 0 HBADLP NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168372384 1070535130 /nfs/dbraw/zinc/53/51/30/1070535130.db2.gz WEQXUUGGSGESGR-OALUTQOASA-N 2 2 404.511 -0.270 20 0 HBADLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]1O ZINC001168372504 1070535597 /nfs/dbraw/zinc/53/55/97/1070535597.db2.gz ZCCXEDFCUNBQOK-NPNMTCQASA-N 2 2 403.487 -0.508 20 0 HBADLP COC(=O)c1ccc2c(n1)nc(-n1c[nH+]cc1C[C@@H]([NH3+])CO)nc2N1CCOCC1 ZINC001169072447 1070126397 /nfs/dbraw/zinc/12/63/97/1070126397.db2.gz SGFCYZQKRQFXIO-GFCCVEGCSA-N 2 2 413.438 -0.304 20 0 HBADLP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1O ZINC001169108208 1070127218 /nfs/dbraw/zinc/12/72/18/1070127218.db2.gz PIJHLAHFKNKRNZ-TTZHZZLRSA-N 2 2 417.514 -0.274 20 0 HBADLP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1O ZINC001169108208 1070127213 /nfs/dbraw/zinc/12/72/13/1070127213.db2.gz PIJHLAHFKNKRNZ-TTZHZZLRSA-N 2 2 417.514 -0.274 20 0 HBADLP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1O ZINC001169108211 1070127264 /nfs/dbraw/zinc/12/72/64/1070127264.db2.gz PIJHLAHFKNKRNZ-WMLVEERVSA-N 2 2 417.514 -0.274 20 0 HBADLP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1O ZINC001169108211 1070127261 /nfs/dbraw/zinc/12/72/61/1070127261.db2.gz PIJHLAHFKNKRNZ-WMLVEERVSA-N 2 2 417.514 -0.274 20 0 HBADLP C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169124659 1070127394 /nfs/dbraw/zinc/12/73/94/1070127394.db2.gz SAPVNBFVVNOWIF-IQVDAOPISA-N 2 2 404.511 -0.131 20 0 HBADLP C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169124659 1070127389 /nfs/dbraw/zinc/12/73/89/1070127389.db2.gz SAPVNBFVVNOWIF-IQVDAOPISA-N 2 2 404.511 -0.131 20 0 HBADLP C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169124664 1070127347 /nfs/dbraw/zinc/12/73/47/1070127347.db2.gz SAPVNBFVVNOWIF-IUWBYPOXSA-N 2 2 404.511 -0.131 20 0 HBADLP C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169124664 1070127341 /nfs/dbraw/zinc/12/73/41/1070127341.db2.gz SAPVNBFVVNOWIF-IUWBYPOXSA-N 2 2 404.511 -0.131 20 0 HBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001169172863 1070130545 /nfs/dbraw/zinc/13/05/45/1070130545.db2.gz WKHIYJVBZMYKQB-AWEZNQCLSA-N 2 2 404.519 -0.236 20 0 HBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001169172864 1070130529 /nfs/dbraw/zinc/13/05/29/1070130529.db2.gz WKHIYJVBZMYKQB-CQSZACIVSA-N 2 2 404.519 -0.236 20 0 HBADLP CC[NH+]1CCC([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)CC1 ZINC001169229621 1070133712 /nfs/dbraw/zinc/13/37/12/1070133712.db2.gz FSGNGGNRMKXLNL-NPNMTCQASA-N 2 2 405.503 -0.415 20 0 HBADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001169244440 1070134546 /nfs/dbraw/zinc/13/45/46/1070134546.db2.gz OMPNJONRSMEDIV-KSSFIOAISA-N 2 2 419.526 -0.517 20 0 HBADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCN1CCN(S(C)(=O)=O)CC1 ZINC001169334881 1070136290 /nfs/dbraw/zinc/13/62/90/1070136290.db2.gz AKLDMGAAWWXWRJ-UHFFFAOYSA-N 2 2 411.576 -0.051 20 0 HBADLP CS(=O)(=O)N1CC[NH+](CCNc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)CC1 ZINC001169337503 1070136886 /nfs/dbraw/zinc/13/68/86/1070136886.db2.gz DVLQHJIXCCRKLL-KRWDZBQOSA-N 2 2 407.540 -0.174 20 0 HBADLP CS(=O)(=O)N1CC[NH+](CCNc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)CC1 ZINC001169337504 1070136865 /nfs/dbraw/zinc/13/68/65/1070136865.db2.gz DVLQHJIXCCRKLL-QGZVFWFLSA-N 2 2 407.540 -0.174 20 0 HBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2)CC1 ZINC001171051303 1071020495 /nfs/dbraw/zinc/02/04/95/1071020495.db2.gz NFDKBAZXZIUDMZ-GDBMZVCRSA-N 2 2 421.523 -0.193 20 0 HBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)c2)CC1 ZINC001171051304 1071020596 /nfs/dbraw/zinc/02/05/96/1071020596.db2.gz NFDKBAZXZIUDMZ-GOEBONIOSA-N 2 2 421.523 -0.193 20 0 HBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2)CC1 ZINC001171051305 1071020852 /nfs/dbraw/zinc/02/08/52/1071020852.db2.gz NFDKBAZXZIUDMZ-HOCLYGCPSA-N 2 2 421.523 -0.193 20 0 HBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)c2)CC1 ZINC001171051306 1071021054 /nfs/dbraw/zinc/02/10/54/1071021054.db2.gz NFDKBAZXZIUDMZ-ZBFHGGJFSA-N 2 2 421.523 -0.193 20 0 HBADLP C[NH+](C)Cc1c(F)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1F ZINC001171266965 1071081400 /nfs/dbraw/zinc/08/14/00/1071081400.db2.gz PVPOBMMWIKHGCR-MWQQHZPXSA-N 2 2 411.409 -0.261 20 0 HBADLP NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079344 1071173700 /nfs/dbraw/zinc/17/37/00/1071173700.db2.gz NKVRAVDVYRLLGH-BCDXTJNWSA-N 2 2 401.511 -0.121 20 0 HBADLP NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079344 1071173675 /nfs/dbraw/zinc/17/36/75/1071173675.db2.gz NKVRAVDVYRLLGH-BCDXTJNWSA-N 2 2 401.511 -0.121 20 0 HBADLP NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079347 1071173548 /nfs/dbraw/zinc/17/35/48/1071173548.db2.gz NKVRAVDVYRLLGH-NNZMDNLPSA-N 2 2 401.511 -0.121 20 0 HBADLP NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079347 1071173543 /nfs/dbraw/zinc/17/35/43/1071173543.db2.gz NKVRAVDVYRLLGH-NNZMDNLPSA-N 2 2 401.511 -0.121 20 0 HBADLP COCCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001172248624 1071177216 /nfs/dbraw/zinc/17/72/16/1071177216.db2.gz COOSISBJBWQFBD-KKUMJFAQSA-N 2 2 400.520 -0.352 20 0 HBADLP COCCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001172248778 1071177116 /nfs/dbraw/zinc/17/71/16/1071177116.db2.gz AHQDLVRVPMZJDE-OALUTQOASA-N 2 2 422.526 -0.644 20 0 HBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173744721 1071192208 /nfs/dbraw/zinc/19/22/08/1071192208.db2.gz HAOUIVFOXVWLPC-SDADXPQNSA-N 2 2 401.475 -0.428 20 0 HBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173744741 1071192369 /nfs/dbraw/zinc/19/23/69/1071192369.db2.gz HAOUIVFOXVWLPC-VDERGJSUSA-N 2 2 401.475 -0.428 20 0 HBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173744746 1071192306 /nfs/dbraw/zinc/19/23/06/1071192306.db2.gz HAOUIVFOXVWLPC-VRKREXBASA-N 2 2 401.475 -0.428 20 0 HBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173744752 1071192389 /nfs/dbraw/zinc/19/23/89/1071192389.db2.gz HAOUIVFOXVWLPC-XRGAULLZSA-N 2 2 401.475 -0.428 20 0 HBADLP Nc1cn(-c2cnn(CC[NH+]3CCOCC3)c2)ccc1=[NH+]CCN1CCOCC1 ZINC001174490000 1071195744 /nfs/dbraw/zinc/19/57/44/1071195744.db2.gz JNSXWWRECNGVPA-UHFFFAOYSA-N 2 2 401.515 -0.179 20 0 HBADLP C[N@H+]1CCCn2nc(C(=O)N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)cc2C1 ZINC001175066022 1071201688 /nfs/dbraw/zinc/20/16/88/1071201688.db2.gz SFFXVIXXUWQWRJ-UHFFFAOYSA-N 2 2 408.484 -0.046 20 0 HBADLP C[N@@H+]1CCCn2nc(C(=O)N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)cc2C1 ZINC001175066022 1071201685 /nfs/dbraw/zinc/20/16/85/1071201685.db2.gz SFFXVIXXUWQWRJ-UHFFFAOYSA-N 2 2 408.484 -0.046 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)C1=O ZINC001175530016 1071209332 /nfs/dbraw/zinc/20/93/32/1071209332.db2.gz HGZHQIQNPMUCMV-UHFFFAOYSA-N 2 2 418.542 -0.169 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)C1=O ZINC001175530016 1071209325 /nfs/dbraw/zinc/20/93/25/1071209325.db2.gz HGZHQIQNPMUCMV-UHFFFAOYSA-N 2 2 418.542 -0.169 20 0 HBADLP NC(=O)C1([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCS(=O)(=O)CC1 ZINC001175542132 1071210157 /nfs/dbraw/zinc/21/01/57/1071210157.db2.gz JLVUBNRLURMHRQ-UHFFFAOYSA-N 2 2 422.551 -0.079 20 0 HBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001176355904 1071221504 /nfs/dbraw/zinc/22/15/04/1071221504.db2.gz IPDYZKSTULCVNJ-DZJNRPSUSA-N 2 2 413.482 -0.095 20 0 HBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001176355904 1071221497 /nfs/dbraw/zinc/22/14/97/1071221497.db2.gz IPDYZKSTULCVNJ-DZJNRPSUSA-N 2 2 413.482 -0.095 20 0 HBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001176357109 1071221424 /nfs/dbraw/zinc/22/14/24/1071221424.db2.gz QFJXBCKUFDJNGV-OAHLLOKOSA-N 2 2 417.470 -0.679 20 0 HBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001176357109 1071221415 /nfs/dbraw/zinc/22/14/15/1071221415.db2.gz QFJXBCKUFDJNGV-OAHLLOKOSA-N 2 2 417.470 -0.679 20 0 HBADLP O=C(Cc1c[nH+]c[nH]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001176829344 1071240512 /nfs/dbraw/zinc/24/05/12/1071240512.db2.gz PRDGSXOOKKAOBX-LSDHHAIUSA-N 2 2 402.480 -0.216 20 0 HBADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001177092111 1071249151 /nfs/dbraw/zinc/24/91/51/1071249151.db2.gz POGFERSLHCTAKM-GFCCVEGCSA-N 2 2 400.440 -0.490 20 0 HBADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001177092111 1071249144 /nfs/dbraw/zinc/24/91/44/1071249144.db2.gz POGFERSLHCTAKM-GFCCVEGCSA-N 2 2 400.440 -0.490 20 0 HBADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001177092112 1071248966 /nfs/dbraw/zinc/24/89/66/1071248966.db2.gz POGFERSLHCTAKM-LBPRGKRZSA-N 2 2 400.440 -0.490 20 0 HBADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001177092112 1071248955 /nfs/dbraw/zinc/24/89/55/1071248955.db2.gz POGFERSLHCTAKM-LBPRGKRZSA-N 2 2 400.440 -0.490 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3csc(NC=O)n3)CC2)C1=O ZINC001178031343 1071278317 /nfs/dbraw/zinc/27/83/17/1071278317.db2.gz JMRNOHBYNANYGY-UHFFFAOYSA-N 2 2 422.555 -0.049 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3csc(NC=O)n3)CC2)C1=O ZINC001178031343 1071278308 /nfs/dbraw/zinc/27/83/08/1071278308.db2.gz JMRNOHBYNANYGY-UHFFFAOYSA-N 2 2 422.555 -0.049 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CN(c4cnccn4)C3)CC2)C1=O ZINC001178091957 1071279635 /nfs/dbraw/zinc/27/96/35/1071279635.db2.gz MSBDIFNMBNASLS-UHFFFAOYSA-N 2 2 415.542 -0.390 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3CN(c4cnccn4)C3)CC2)C1=O ZINC001178091957 1071279619 /nfs/dbraw/zinc/27/96/19/1071279619.db2.gz MSBDIFNMBNASLS-UHFFFAOYSA-N 2 2 415.542 -0.390 20 0 HBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CN3CC[NH+](C(C)C)CC3)C2)C1 ZINC001180345554 1071336879 /nfs/dbraw/zinc/33/68/79/1071336879.db2.gz PIYLWYOZYYWVRU-NRFANRHFSA-N 2 2 409.575 -0.301 20 0 HBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CN3CC[NH+](C(C)C)CC3)C2)C1 ZINC001180345554 1071336866 /nfs/dbraw/zinc/33/68/66/1071336866.db2.gz PIYLWYOZYYWVRU-NRFANRHFSA-N 2 2 409.575 -0.301 20 0 HBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CN3CC[NH+](C(C)C)CC3)C2)C1 ZINC001180345562 1071337088 /nfs/dbraw/zinc/33/70/88/1071337088.db2.gz PIYLWYOZYYWVRU-OAQYLSRUSA-N 2 2 409.575 -0.301 20 0 HBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CN3CC[NH+](C(C)C)CC3)C2)C1 ZINC001180345562 1071337077 /nfs/dbraw/zinc/33/70/77/1071337077.db2.gz PIYLWYOZYYWVRU-OAQYLSRUSA-N 2 2 409.575 -0.301 20 0 HBADLP CC(C)[NH+]1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)CC1 ZINC001180345741 1071337406 /nfs/dbraw/zinc/33/74/06/1071337406.db2.gz USCBQDCZONKQEM-UHFFFAOYSA-N 3 2 422.618 -0.291 20 0 HBADLP CC(C)[NH+]1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)CC1 ZINC001180345741 1071337395 /nfs/dbraw/zinc/33/73/95/1071337395.db2.gz USCBQDCZONKQEM-UHFFFAOYSA-N 3 2 422.618 -0.291 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCC(=O)N3CCOCC3)CC2)C1=O ZINC001180493362 1071343636 /nfs/dbraw/zinc/34/36/36/1071343636.db2.gz RDMWHLNUZYVLJL-UHFFFAOYSA-N 2 2 423.558 -0.678 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCC(=O)N3CCOCC3)CC2)C1=O ZINC001180493362 1071343613 /nfs/dbraw/zinc/34/36/13/1071343613.db2.gz RDMWHLNUZYVLJL-UHFFFAOYSA-N 2 2 423.558 -0.678 20 0 HBADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608801 1071351303 /nfs/dbraw/zinc/35/13/03/1071351303.db2.gz IOTQDRDWQPMZCS-DYESRHJHSA-N 2 2 424.542 -0.171 20 0 HBADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608802 1071351240 /nfs/dbraw/zinc/35/12/40/1071351240.db2.gz IOTQDRDWQPMZCS-LAUBAEHRSA-N 2 2 424.542 -0.171 20 0 HBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608803 1071351327 /nfs/dbraw/zinc/35/13/27/1071351327.db2.gz IOTQDRDWQPMZCS-UTKZUKDTSA-N 2 2 424.542 -0.171 20 0 HBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608804 1071351368 /nfs/dbraw/zinc/35/13/68/1071351368.db2.gz IOTQDRDWQPMZCS-UWJYYQICSA-N 2 2 424.542 -0.171 20 0 HBADLP NC(=O)C1CC[NH+](CCC(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001180609195 1071352000 /nfs/dbraw/zinc/35/20/00/1071352000.db2.gz QRAHPZHJBVQVON-UHFFFAOYSA-N 2 2 400.487 -0.157 20 0 HBADLP CC(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001180682563 1071354172 /nfs/dbraw/zinc/35/41/72/1071354172.db2.gz PFXLYDKDVCAURJ-GOSISDBHSA-N 2 2 407.559 -0.058 20 0 HBADLP CC(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001180682563 1071354156 /nfs/dbraw/zinc/35/41/56/1071354156.db2.gz PFXLYDKDVCAURJ-GOSISDBHSA-N 2 2 407.559 -0.058 20 0 HBADLP CC(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001180682567 1071354047 /nfs/dbraw/zinc/35/40/47/1071354047.db2.gz PFXLYDKDVCAURJ-SFHVURJKSA-N 2 2 407.559 -0.058 20 0 HBADLP CC(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001180682567 1071354034 /nfs/dbraw/zinc/35/40/34/1071354034.db2.gz PFXLYDKDVCAURJ-SFHVURJKSA-N 2 2 407.559 -0.058 20 0 HBADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[N@@H+](C)CCO2)c2nonc21 ZINC001180762784 1071357390 /nfs/dbraw/zinc/35/73/90/1071357390.db2.gz FHNZUYUEXIMTFH-GFCCVEGCSA-N 2 2 412.472 -0.905 20 0 HBADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[N@H+](C)CCO2)c2nonc21 ZINC001180762784 1071357381 /nfs/dbraw/zinc/35/73/81/1071357381.db2.gz FHNZUYUEXIMTFH-GFCCVEGCSA-N 2 2 412.472 -0.905 20 0 HBADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[N@@H+](C)CCO2)c2nonc21 ZINC001180762785 1071356869 /nfs/dbraw/zinc/35/68/69/1071356869.db2.gz FHNZUYUEXIMTFH-LBPRGKRZSA-N 2 2 412.472 -0.905 20 0 HBADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[N@H+](C)CCO2)c2nonc21 ZINC001180762785 1071356855 /nfs/dbraw/zinc/35/68/55/1071356855.db2.gz FHNZUYUEXIMTFH-LBPRGKRZSA-N 2 2 412.472 -0.905 20 0 HBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001180763274 1071357049 /nfs/dbraw/zinc/35/70/49/1071357049.db2.gz IXSUUZBWVSOUFC-LAIMCUOGSA-N 3 2 416.563 -0.387 20 0 HBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001180763274 1071357033 /nfs/dbraw/zinc/35/70/33/1071357033.db2.gz IXSUUZBWVSOUFC-LAIMCUOGSA-N 3 2 416.563 -0.387 20 0 HBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001180763277 1071356918 /nfs/dbraw/zinc/35/69/18/1071356918.db2.gz IXSUUZBWVSOUFC-QQPKDZIPSA-N 3 2 416.563 -0.387 20 0 HBADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001180763277 1071356904 /nfs/dbraw/zinc/35/69/04/1071356904.db2.gz IXSUUZBWVSOUFC-QQPKDZIPSA-N 3 2 416.563 -0.387 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001180763281 1071357326 /nfs/dbraw/zinc/35/73/26/1071357326.db2.gz IXSUUZBWVSOUFC-RKYZWWOHSA-N 3 2 416.563 -0.387 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001180763281 1071357314 /nfs/dbraw/zinc/35/73/14/1071357314.db2.gz IXSUUZBWVSOUFC-RKYZWWOHSA-N 3 2 416.563 -0.387 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001180763284 1071357139 /nfs/dbraw/zinc/35/71/39/1071357139.db2.gz IXSUUZBWVSOUFC-ZRLASGMHSA-N 3 2 416.563 -0.387 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](O)OC(C)(C)C)C1 ZINC001180763284 1071357124 /nfs/dbraw/zinc/35/71/24/1071357124.db2.gz IXSUUZBWVSOUFC-ZRLASGMHSA-N 3 2 416.563 -0.387 20 0 HBADLP COCCN1C[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)CC1=O ZINC001180890814 1071359620 /nfs/dbraw/zinc/35/96/20/1071359620.db2.gz FKDOPAIWWPWZFN-KRWDZBQOSA-N 2 2 423.558 -0.822 20 0 HBADLP COCCN1C[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)CC1=O ZINC001180890814 1071359605 /nfs/dbraw/zinc/35/96/05/1071359605.db2.gz FKDOPAIWWPWZFN-KRWDZBQOSA-N 2 2 423.558 -0.822 20 0 HBADLP COCCN1C[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)CC1=O ZINC001180890815 1071359830 /nfs/dbraw/zinc/35/98/30/1071359830.db2.gz FKDOPAIWWPWZFN-QGZVFWFLSA-N 2 2 423.558 -0.822 20 0 HBADLP COCCN1C[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)CC1=O ZINC001180890815 1071359818 /nfs/dbraw/zinc/35/98/18/1071359818.db2.gz FKDOPAIWWPWZFN-QGZVFWFLSA-N 2 2 423.558 -0.822 20 0 HBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC12CCC[NH+]1CCC2 ZINC001181112994 1071365811 /nfs/dbraw/zinc/36/58/11/1071365811.db2.gz BVONSRDGTZFQIQ-HOTGVXAUSA-N 2 2 402.499 -0.068 20 0 HBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC12CCC[NH+]1CCC2 ZINC001181112994 1071365796 /nfs/dbraw/zinc/36/57/96/1071365796.db2.gz BVONSRDGTZFQIQ-HOTGVXAUSA-N 2 2 402.499 -0.068 20 0 HBADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)Cc2cc[nH+]c(N)c2)c2nonc21 ZINC001181279199 1071371317 /nfs/dbraw/zinc/37/13/17/1071371317.db2.gz HKOJCHRGSSNRDA-UHFFFAOYSA-N 2 2 419.467 -0.015 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cn3nc(Cl)ccc3=O)CC2)C1=O ZINC001181891430 1071384020 /nfs/dbraw/zinc/38/40/20/1071384020.db2.gz NXZIAWHVVKOKMQ-UHFFFAOYSA-N 2 2 424.933 -0.407 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cn3nc(Cl)ccc3=O)CC2)C1=O ZINC001181891430 1071384013 /nfs/dbraw/zinc/38/40/13/1071384013.db2.gz NXZIAWHVVKOKMQ-UHFFFAOYSA-N 2 2 424.933 -0.407 20 0 HBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182031021 1071385904 /nfs/dbraw/zinc/38/59/04/1071385904.db2.gz IQNDRUQSZAWJIK-KRWDZBQOSA-N 2 2 421.542 -0.349 20 0 HBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182031022 1071385974 /nfs/dbraw/zinc/38/59/74/1071385974.db2.gz IQNDRUQSZAWJIK-QGZVFWFLSA-N 2 2 421.542 -0.349 20 0 HBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001182031656 1071385834 /nfs/dbraw/zinc/38/58/34/1071385834.db2.gz OJGYTJJGKIZPJL-UHFFFAOYSA-N 2 2 404.515 -0.851 20 0 HBADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182306595 1071401440 /nfs/dbraw/zinc/40/14/40/1071401440.db2.gz PKZAUFHKWBCJLP-AWEZNQCLSA-N 2 2 417.511 -0.018 20 0 HBADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182306595 1071401438 /nfs/dbraw/zinc/40/14/38/1071401438.db2.gz PKZAUFHKWBCJLP-AWEZNQCLSA-N 2 2 417.511 -0.018 20 0 HBADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182306608 1071401412 /nfs/dbraw/zinc/40/14/12/1071401412.db2.gz PKZAUFHKWBCJLP-CQSZACIVSA-N 2 2 417.511 -0.018 20 0 HBADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182306608 1071401408 /nfs/dbraw/zinc/40/14/08/1071401408.db2.gz PKZAUFHKWBCJLP-CQSZACIVSA-N 2 2 417.511 -0.018 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)CC2)C1=O ZINC001182456377 1071414207 /nfs/dbraw/zinc/41/42/07/1071414207.db2.gz UXBTYSIJYNLGHI-GOSISDBHSA-N 2 2 419.570 -0.058 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CC(=O)N(CC4CC4)C3)CC2)C1=O ZINC001182456377 1071414202 /nfs/dbraw/zinc/41/42/02/1071414202.db2.gz UXBTYSIJYNLGHI-GOSISDBHSA-N 2 2 419.570 -0.058 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)CC2)C1=O ZINC001182456380 1071414220 /nfs/dbraw/zinc/41/42/20/1071414220.db2.gz UXBTYSIJYNLGHI-SFHVURJKSA-N 2 2 419.570 -0.058 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)CC2)C1=O ZINC001182456380 1071414216 /nfs/dbraw/zinc/41/42/16/1071414216.db2.gz UXBTYSIJYNLGHI-SFHVURJKSA-N 2 2 419.570 -0.058 20 0 HBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182560104 1071424622 /nfs/dbraw/zinc/42/46/22/1071424622.db2.gz ARXHIARGHUWCLI-ULQDDVLXSA-N 2 2 402.499 -0.212 20 0 HBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182560104 1071424614 /nfs/dbraw/zinc/42/46/14/1071424614.db2.gz ARXHIARGHUWCLI-ULQDDVLXSA-N 2 2 402.499 -0.212 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3cn4cccnc4n3)CC2)C1=O ZINC001182732227 1071429209 /nfs/dbraw/zinc/42/92/09/1071429209.db2.gz ZULXEGGKOIRVPQ-UHFFFAOYSA-N 2 2 413.526 -0.031 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3cn4cccnc4n3)CC2)C1=O ZINC001182732227 1071429205 /nfs/dbraw/zinc/42/92/05/1071429205.db2.gz ZULXEGGKOIRVPQ-UHFFFAOYSA-N 2 2 413.526 -0.031 20 0 HBADLP CC(=O)N1CSC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001183139191 1071450286 /nfs/dbraw/zinc/45/02/86/1071450286.db2.gz BWIFMSUMKIDJPT-INIZCTEOSA-N 2 2 411.572 -0.395 20 0 HBADLP CC(=O)N1CSC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001183139191 1071450281 /nfs/dbraw/zinc/45/02/81/1071450281.db2.gz BWIFMSUMKIDJPT-INIZCTEOSA-N 2 2 411.572 -0.395 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)CC2)C1 ZINC001183158966 1071453156 /nfs/dbraw/zinc/45/31/56/1071453156.db2.gz GOOXHJXBFNGESF-LUKYLMHMSA-N 2 2 423.562 -0.773 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)CC2)C1 ZINC001183158980 1071452996 /nfs/dbraw/zinc/45/29/96/1071452996.db2.gz GOOXHJXBFNGESF-QAETUUGQSA-N 2 2 423.562 -0.773 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)CC2)C1 ZINC001183158981 1071453099 /nfs/dbraw/zinc/45/30/99/1071453099.db2.gz GOOXHJXBFNGESF-VVLHAWIVSA-N 2 2 423.562 -0.773 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)CC2)C1 ZINC001183158982 1071453141 /nfs/dbraw/zinc/45/31/41/1071453141.db2.gz GOOXHJXBFNGESF-YVSFHVDLSA-N 2 2 423.562 -0.773 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=C[C@](C)(O)C=C[C@@H]3O)CC2)C1=O ZINC001183536093 1071464155 /nfs/dbraw/zinc/46/41/55/1071464155.db2.gz GRTGZWVLRASVMD-FXAWDEMLSA-N 2 2 406.527 -0.709 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=C[C@](C)(O)C=C[C@@H]3O)CC2)C1=O ZINC001183536093 1071464150 /nfs/dbraw/zinc/46/41/50/1071464150.db2.gz GRTGZWVLRASVMD-FXAWDEMLSA-N 2 2 406.527 -0.709 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=C[C@@](C)(O)C=C[C@@H]3O)CC2)C1=O ZINC001183536096 1071464117 /nfs/dbraw/zinc/46/41/17/1071464117.db2.gz GRTGZWVLRASVMD-PXNSSMCTSA-N 2 2 406.527 -0.709 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=C[C@@](C)(O)C=C[C@@H]3O)CC2)C1=O ZINC001183536096 1071464110 /nfs/dbraw/zinc/46/41/10/1071464110.db2.gz GRTGZWVLRASVMD-PXNSSMCTSA-N 2 2 406.527 -0.709 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=C[C@@](C)(O)C=C[C@H]3O)CC2)C1=O ZINC001183536098 1071464058 /nfs/dbraw/zinc/46/40/58/1071464058.db2.gz GRTGZWVLRASVMD-XLIONFOSSA-N 2 2 406.527 -0.709 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=C[C@@](C)(O)C=C[C@H]3O)CC2)C1=O ZINC001183536098 1071464052 /nfs/dbraw/zinc/46/40/52/1071464052.db2.gz GRTGZWVLRASVMD-XLIONFOSSA-N 2 2 406.527 -0.709 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=C[C@](C)(O)C=C[C@H]3O)CC2)C1=O ZINC001183536101 1071464029 /nfs/dbraw/zinc/46/40/29/1071464029.db2.gz GRTGZWVLRASVMD-YLJYHZDGSA-N 2 2 406.527 -0.709 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=C[C@](C)(O)C=C[C@H]3O)CC2)C1=O ZINC001183536101 1071464024 /nfs/dbraw/zinc/46/40/24/1071464024.db2.gz GRTGZWVLRASVMD-YLJYHZDGSA-N 2 2 406.527 -0.709 20 0 HBADLP CC[C@H]1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1=O ZINC001183667698 1071466501 /nfs/dbraw/zinc/46/65/01/1071466501.db2.gz NVLADSSGHMQFID-KRWDZBQOSA-N 2 2 407.559 -0.058 20 0 HBADLP CC[C@H]1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1=O ZINC001183667698 1071466496 /nfs/dbraw/zinc/46/64/96/1071466496.db2.gz NVLADSSGHMQFID-KRWDZBQOSA-N 2 2 407.559 -0.058 20 0 HBADLP CC[C@@H]1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1=O ZINC001183667699 1071466372 /nfs/dbraw/zinc/46/63/72/1071466372.db2.gz NVLADSSGHMQFID-QGZVFWFLSA-N 2 2 407.559 -0.058 20 0 HBADLP CC[C@@H]1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1=O ZINC001183667699 1071466366 /nfs/dbraw/zinc/46/63/66/1071466366.db2.gz NVLADSSGHMQFID-QGZVFWFLSA-N 2 2 407.559 -0.058 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H](O)Cc3ccc(O)cc3)CC2)C1=O ZINC001183896325 1071481272 /nfs/dbraw/zinc/48/12/72/1071481272.db2.gz NBCIRKVVJAISNS-IBGZPJMESA-N 2 2 418.538 -0.008 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H](O)Cc3ccc(O)cc3)CC2)C1=O ZINC001183896325 1071481269 /nfs/dbraw/zinc/48/12/69/1071481269.db2.gz NBCIRKVVJAISNS-IBGZPJMESA-N 2 2 418.538 -0.008 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H](O)Cc3ccc(O)cc3)CC2)C1=O ZINC001183896326 1071481356 /nfs/dbraw/zinc/48/13/56/1071481356.db2.gz NBCIRKVVJAISNS-LJQANCHMSA-N 2 2 418.538 -0.008 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H](O)Cc3ccc(O)cc3)CC2)C1=O ZINC001183896326 1071481351 /nfs/dbraw/zinc/48/13/51/1071481351.db2.gz NBCIRKVVJAISNS-LJQANCHMSA-N 2 2 418.538 -0.008 20 0 HBADLP CC(C)(C)OC(=O)N1CC[N@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001184443371 1071494177 /nfs/dbraw/zinc/49/41/77/1071494177.db2.gz QXQGEPPZISYKOA-APIJFGDWSA-N 2 2 411.551 -0.775 20 0 HBADLP CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001184443371 1071494176 /nfs/dbraw/zinc/49/41/76/1071494176.db2.gz QXQGEPPZISYKOA-APIJFGDWSA-N 2 2 411.551 -0.775 20 0 HBADLP CC(C)(C)OC(=O)N1CC[N@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001184443374 1071494359 /nfs/dbraw/zinc/49/43/59/1071494359.db2.gz QXQGEPPZISYKOA-CBBWQLFWSA-N 2 2 411.551 -0.775 20 0 HBADLP CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001184443374 1071494351 /nfs/dbraw/zinc/49/43/51/1071494351.db2.gz QXQGEPPZISYKOA-CBBWQLFWSA-N 2 2 411.551 -0.775 20 0 HBADLP CC(C)(C)OC(=O)N1CC[N@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001184443378 1071495268 /nfs/dbraw/zinc/49/52/68/1071495268.db2.gz QXQGEPPZISYKOA-KBXIAJHMSA-N 2 2 411.551 -0.775 20 0 HBADLP CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001184443378 1071495266 /nfs/dbraw/zinc/49/52/66/1071495266.db2.gz QXQGEPPZISYKOA-KBXIAJHMSA-N 2 2 411.551 -0.775 20 0 HBADLP CC(C)(C)OC(=O)N1CC[N@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001184443380 1071495168 /nfs/dbraw/zinc/49/51/68/1071495168.db2.gz QXQGEPPZISYKOA-QPSCCSFWSA-N 2 2 411.551 -0.775 20 0 HBADLP CC(C)(C)OC(=O)N1CC[N@@H+](C(C)(C)C)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001184443380 1071495164 /nfs/dbraw/zinc/49/51/64/1071495164.db2.gz QXQGEPPZISYKOA-QPSCCSFWSA-N 2 2 411.551 -0.775 20 0 HBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250711 1071509540 /nfs/dbraw/zinc/50/95/40/1071509540.db2.gz IRMNEBVKBOWJPL-HKUYNNGSSA-N 2 2 420.558 -0.560 20 0 HBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001185250711 1071509533 /nfs/dbraw/zinc/50/95/33/1071509533.db2.gz IRMNEBVKBOWJPL-HKUYNNGSSA-N 2 2 420.558 -0.560 20 0 HBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250714 1071509709 /nfs/dbraw/zinc/50/97/09/1071509709.db2.gz IRMNEBVKBOWJPL-IEBWSBKVSA-N 2 2 420.558 -0.560 20 0 HBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001185250714 1071509706 /nfs/dbraw/zinc/50/97/06/1071509706.db2.gz IRMNEBVKBOWJPL-IEBWSBKVSA-N 2 2 420.558 -0.560 20 0 HBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250716 1071509635 /nfs/dbraw/zinc/50/96/35/1071509635.db2.gz IRMNEBVKBOWJPL-MJGOQNOKSA-N 2 2 420.558 -0.560 20 0 HBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001185250716 1071509625 /nfs/dbraw/zinc/50/96/25/1071509625.db2.gz IRMNEBVKBOWJPL-MJGOQNOKSA-N 2 2 420.558 -0.560 20 0 HBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250717 1071509872 /nfs/dbraw/zinc/50/98/72/1071509872.db2.gz IRMNEBVKBOWJPL-PKOBYXMFSA-N 2 2 420.558 -0.560 20 0 HBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001185250717 1071509865 /nfs/dbraw/zinc/50/98/65/1071509865.db2.gz IRMNEBVKBOWJPL-PKOBYXMFSA-N 2 2 420.558 -0.560 20 0 HBADLP CC(C)N(C(=O)C[N@H+]1CC[C@H](O)C1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001186039093 1071539042 /nfs/dbraw/zinc/53/90/42/1071539042.db2.gz VNQVHYZDOWSVDL-INIZCTEOSA-N 2 2 418.542 -0.191 20 0 HBADLP CC(C)N(C(=O)C[N@@H+]1CC[C@H](O)C1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001186039093 1071539036 /nfs/dbraw/zinc/53/90/36/1071539036.db2.gz VNQVHYZDOWSVDL-INIZCTEOSA-N 2 2 418.542 -0.191 20 0 HBADLP CC(C)N(C(=O)C[N@H+]1CC[C@@H](O)C1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001186039094 1071538991 /nfs/dbraw/zinc/53/89/91/1071538991.db2.gz VNQVHYZDOWSVDL-MRXNPFEDSA-N 2 2 418.542 -0.191 20 0 HBADLP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](O)C1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001186039094 1071538983 /nfs/dbraw/zinc/53/89/83/1071538983.db2.gz VNQVHYZDOWSVDL-MRXNPFEDSA-N 2 2 418.542 -0.191 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[N@H+]2CC[C@@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001186054551 1071541251 /nfs/dbraw/zinc/54/12/51/1071541251.db2.gz FQNYRQRGQXYBGQ-FCXOMPEDSA-N 3 2 416.563 -0.651 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[N@@H+]2CC[C@@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001186054551 1071541247 /nfs/dbraw/zinc/54/12/47/1071541247.db2.gz FQNYRQRGQXYBGQ-FCXOMPEDSA-N 3 2 416.563 -0.651 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[N@H+]2CC[C@@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001186054556 1071541148 /nfs/dbraw/zinc/54/11/48/1071541148.db2.gz FQNYRQRGQXYBGQ-HDVFIIHRSA-N 3 2 416.563 -0.651 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[N@@H+]2CC[C@@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001186054556 1071541137 /nfs/dbraw/zinc/54/11/37/1071541137.db2.gz FQNYRQRGQXYBGQ-HDVFIIHRSA-N 3 2 416.563 -0.651 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001186054558 1071541312 /nfs/dbraw/zinc/54/13/12/1071541312.db2.gz FQNYRQRGQXYBGQ-SCVNYCPESA-N 3 2 416.563 -0.651 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001186054558 1071541305 /nfs/dbraw/zinc/54/13/05/1071541305.db2.gz FQNYRQRGQXYBGQ-SCVNYCPESA-N 3 2 416.563 -0.651 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[N@H+]2CC[C@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001186054561 1071541378 /nfs/dbraw/zinc/54/13/78/1071541378.db2.gz FQNYRQRGQXYBGQ-UPHDCGPKSA-N 3 2 416.563 -0.651 20 0 HBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001186054561 1071541373 /nfs/dbraw/zinc/54/13/73/1071541373.db2.gz FQNYRQRGQXYBGQ-UPHDCGPKSA-N 3 2 416.563 -0.651 20 0 HBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)C1 ZINC001186101089 1071542728 /nfs/dbraw/zinc/54/27/28/1071542728.db2.gz PMQVHTXUNWTKCE-FTRWYGJKSA-N 2 2 411.499 -0.264 20 0 HBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)C1 ZINC001186101089 1071542726 /nfs/dbraw/zinc/54/27/26/1071542726.db2.gz PMQVHTXUNWTKCE-FTRWYGJKSA-N 2 2 411.499 -0.264 20 0 HBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)C1 ZINC001186101090 1071542717 /nfs/dbraw/zinc/54/27/17/1071542717.db2.gz PMQVHTXUNWTKCE-RZQQEMMASA-N 2 2 411.499 -0.264 20 0 HBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)C1 ZINC001186101090 1071542715 /nfs/dbraw/zinc/54/27/15/1071542715.db2.gz PMQVHTXUNWTKCE-RZQQEMMASA-N 2 2 411.499 -0.264 20 0 HBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)C1 ZINC001186101091 1071542544 /nfs/dbraw/zinc/54/25/44/1071542544.db2.gz PMQVHTXUNWTKCE-TWOQFEAHSA-N 2 2 411.499 -0.264 20 0 HBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)C1 ZINC001186101091 1071542537 /nfs/dbraw/zinc/54/25/37/1071542537.db2.gz PMQVHTXUNWTKCE-TWOQFEAHSA-N 2 2 411.499 -0.264 20 0 HBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)C1 ZINC001186101092 1071542321 /nfs/dbraw/zinc/54/23/21/1071542321.db2.gz PMQVHTXUNWTKCE-YRNRMSPPSA-N 2 2 411.499 -0.264 20 0 HBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)C1 ZINC001186101092 1071542308 /nfs/dbraw/zinc/54/23/08/1071542308.db2.gz PMQVHTXUNWTKCE-YRNRMSPPSA-N 2 2 411.499 -0.264 20 0 HBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001186101691 1071542705 /nfs/dbraw/zinc/54/27/05/1071542705.db2.gz YJUIKNATIWBIHW-NSHDSACASA-N 2 2 400.457 -0.897 20 0 HBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001186101691 1071542702 /nfs/dbraw/zinc/54/27/02/1071542702.db2.gz YJUIKNATIWBIHW-NSHDSACASA-N 2 2 400.457 -0.897 20 0 HBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1 ZINC001186105699 1071543500 /nfs/dbraw/zinc/54/35/00/1071543500.db2.gz GOERXVAKRADNPO-INIZCTEOSA-N 2 2 404.515 -0.532 20 0 HBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1 ZINC001186105699 1071543495 /nfs/dbraw/zinc/54/34/95/1071543495.db2.gz GOERXVAKRADNPO-INIZCTEOSA-N 2 2 404.515 -0.532 20 0 HBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001186106359 1071543397 /nfs/dbraw/zinc/54/33/97/1071543397.db2.gz MQYPHNNPXPIFSE-LUKYLMHMSA-N 2 2 403.483 -0.071 20 0 HBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001186106359 1071543389 /nfs/dbraw/zinc/54/33/89/1071543389.db2.gz MQYPHNNPXPIFSE-LUKYLMHMSA-N 2 2 403.483 -0.071 20 0 HBADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001186106488 1071543979 /nfs/dbraw/zinc/54/39/79/1071543979.db2.gz OPWAQJZOXJTZCJ-KRWDZBQOSA-N 3 2 423.558 -0.822 20 0 HBADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001186106488 1071543977 /nfs/dbraw/zinc/54/39/77/1071543977.db2.gz OPWAQJZOXJTZCJ-KRWDZBQOSA-N 3 2 423.558 -0.822 20 0 HBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001186106488 1071543974 /nfs/dbraw/zinc/54/39/74/1071543974.db2.gz OPWAQJZOXJTZCJ-KRWDZBQOSA-N 3 2 423.558 -0.822 20 0 HBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[NH+]3C)C1 ZINC001186106488 1071543971 /nfs/dbraw/zinc/54/39/71/1071543971.db2.gz OPWAQJZOXJTZCJ-KRWDZBQOSA-N 3 2 423.558 -0.822 20 0 HBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001186106973 1071544023 /nfs/dbraw/zinc/54/40/23/1071544023.db2.gz RAEXTSSMNWUAJP-HNNXBMFYSA-N 2 2 414.466 -0.285 20 0 HBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001186106973 1071544022 /nfs/dbraw/zinc/54/40/22/1071544022.db2.gz RAEXTSSMNWUAJP-HNNXBMFYSA-N 2 2 414.466 -0.285 20 0 HBADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106992 1071544302 /nfs/dbraw/zinc/54/43/02/1071544302.db2.gz RHSOLUSMVOEBDL-JXFKEZNVSA-N 2 2 410.515 -0.832 20 0 HBADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106992 1071544291 /nfs/dbraw/zinc/54/42/91/1071544291.db2.gz RHSOLUSMVOEBDL-JXFKEZNVSA-N 2 2 410.515 -0.832 20 0 HBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106992 1071544277 /nfs/dbraw/zinc/54/42/77/1071544277.db2.gz RHSOLUSMVOEBDL-JXFKEZNVSA-N 2 2 410.515 -0.832 20 0 HBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106992 1071544264 /nfs/dbraw/zinc/54/42/64/1071544264.db2.gz RHSOLUSMVOEBDL-JXFKEZNVSA-N 2 2 410.515 -0.832 20 0 HBADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)C[N@H+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106999 1071543931 /nfs/dbraw/zinc/54/39/31/1071543931.db2.gz RHSOLUSMVOEBDL-OXJNMPFZSA-N 2 2 410.515 -0.832 20 0 HBADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106999 1071543928 /nfs/dbraw/zinc/54/39/28/1071543928.db2.gz RHSOLUSMVOEBDL-OXJNMPFZSA-N 2 2 410.515 -0.832 20 0 HBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C[NH+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106999 1071543922 /nfs/dbraw/zinc/54/39/22/1071543922.db2.gz RHSOLUSMVOEBDL-OXJNMPFZSA-N 2 2 410.515 -0.832 20 0 HBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C[NH+]3CC[C@H](C(=O)OC)C3)C2)C1 ZINC001186106999 1071543917 /nfs/dbraw/zinc/54/39/17/1071543917.db2.gz RHSOLUSMVOEBDL-OXJNMPFZSA-N 2 2 410.515 -0.832 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001186845700 1071579726 /nfs/dbraw/zinc/57/97/26/1071579726.db2.gz CJBHWERUHHMSBY-BIVLZKPYSA-N 2 2 423.562 -0.631 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001186845700 1071579721 /nfs/dbraw/zinc/57/97/21/1071579721.db2.gz CJBHWERUHHMSBY-BIVLZKPYSA-N 2 2 423.562 -0.631 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001186845701 1071579594 /nfs/dbraw/zinc/57/95/94/1071579594.db2.gz CJBHWERUHHMSBY-BQJWPVKWSA-N 2 2 423.562 -0.631 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001186845701 1071579586 /nfs/dbraw/zinc/57/95/86/1071579586.db2.gz CJBHWERUHHMSBY-BQJWPVKWSA-N 2 2 423.562 -0.631 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001186845702 1071579496 /nfs/dbraw/zinc/57/94/96/1071579496.db2.gz CJBHWERUHHMSBY-JZAWBGDQSA-N 2 2 423.562 -0.631 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001186845702 1071579484 /nfs/dbraw/zinc/57/94/84/1071579484.db2.gz CJBHWERUHHMSBY-JZAWBGDQSA-N 2 2 423.562 -0.631 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001186845703 1071579665 /nfs/dbraw/zinc/57/96/65/1071579665.db2.gz CJBHWERUHHMSBY-QEOTZNIISA-N 2 2 423.562 -0.631 20 0 HBADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001186845703 1071579653 /nfs/dbraw/zinc/57/96/53/1071579653.db2.gz CJBHWERUHHMSBY-QEOTZNIISA-N 2 2 423.562 -0.631 20 0 HBADLP COCCn1nccc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001187860106 1071599045 /nfs/dbraw/zinc/59/90/45/1071599045.db2.gz UJMXJEHIJOAYGA-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP COCCn1nccc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001187860106 1071599036 /nfs/dbraw/zinc/59/90/36/1071599036.db2.gz UJMXJEHIJOAYGA-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP COCCn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001187899792 1071599604 /nfs/dbraw/zinc/59/96/04/1071599604.db2.gz HXALUWGVKVBRSF-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP COCCn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001187899792 1071599593 /nfs/dbraw/zinc/59/95/93/1071599593.db2.gz HXALUWGVKVBRSF-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP CN(C)c1nccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001187999318 1071600855 /nfs/dbraw/zinc/60/08/55/1071600855.db2.gz NXOHGNCAMXXOOW-UHFFFAOYSA-N 2 2 403.531 -0.147 20 0 HBADLP CN(C)c1nccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001187999318 1071600854 /nfs/dbraw/zinc/60/08/54/1071600854.db2.gz NXOHGNCAMXXOOW-UHFFFAOYSA-N 2 2 403.531 -0.147 20 0 HBADLP COc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c(OC)nn1 ZINC001189065114 1071617317 /nfs/dbraw/zinc/61/73/17/1071617317.db2.gz CYHFRFAQXFWESS-UHFFFAOYSA-N 2 2 420.514 -0.196 20 0 HBADLP COc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c(OC)nn1 ZINC001189065114 1071617316 /nfs/dbraw/zinc/61/73/16/1071617316.db2.gz CYHFRFAQXFWESS-UHFFFAOYSA-N 2 2 420.514 -0.196 20 0 HBADLP COc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)nc(OC)n1 ZINC001189088632 1071618026 /nfs/dbraw/zinc/61/80/26/1071618026.db2.gz KOYVVEFNXHYIQU-UHFFFAOYSA-N 2 2 420.514 -0.196 20 0 HBADLP COc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)nc(OC)n1 ZINC001189088632 1071618021 /nfs/dbraw/zinc/61/80/21/1071618021.db2.gz KOYVVEFNXHYIQU-UHFFFAOYSA-N 2 2 420.514 -0.196 20 0 HBADLP COc1cc(OC)nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001189223184 1071619706 /nfs/dbraw/zinc/61/97/06/1071619706.db2.gz INAGYAMNOLDUDX-UHFFFAOYSA-N 2 2 420.514 -0.196 20 0 HBADLP COc1cc(OC)nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001189223184 1071619701 /nfs/dbraw/zinc/61/97/01/1071619701.db2.gz INAGYAMNOLDUDX-UHFFFAOYSA-N 2 2 420.514 -0.196 20 0 HBADLP CN(C)c1ncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1 ZINC001189842999 1071630928 /nfs/dbraw/zinc/63/09/28/1071630928.db2.gz ASYSNIKFEDRMGX-UHFFFAOYSA-N 2 2 403.531 -0.147 20 0 HBADLP CN(C)c1ncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1 ZINC001189842999 1071630926 /nfs/dbraw/zinc/63/09/26/1071630926.db2.gz ASYSNIKFEDRMGX-UHFFFAOYSA-N 2 2 403.531 -0.147 20 0 HBADLP CN(C)c1cncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001190725277 1071644752 /nfs/dbraw/zinc/64/47/52/1071644752.db2.gz UUROPPYVZGXRMF-UHFFFAOYSA-N 2 2 403.531 -0.147 20 0 HBADLP CN(C)c1cncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001190725277 1071644748 /nfs/dbraw/zinc/64/47/48/1071644748.db2.gz UUROPPYVZGXRMF-UHFFFAOYSA-N 2 2 403.531 -0.147 20 0 HBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(=O)n4nc(N)[nH]c4n3)CC2)CC1 ZINC001190994673 1071649067 /nfs/dbraw/zinc/64/90/67/1071649067.db2.gz JXVCXNJZEVXRPM-UHFFFAOYSA-N 2 2 402.503 -0.234 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ncccc3C(N)=O)CC2)C1=O ZINC001193606337 1071689550 /nfs/dbraw/zinc/68/95/50/1071689550.db2.gz BFPFNMBMDYQKEQ-UHFFFAOYSA-N 2 2 402.499 -0.509 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ncccc3C(N)=O)CC2)C1=O ZINC001193606337 1071689545 /nfs/dbraw/zinc/68/95/45/1071689545.db2.gz BFPFNMBMDYQKEQ-UHFFFAOYSA-N 2 2 402.499 -0.509 20 0 HBADLP Cc1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c(=O)[nH]c1C ZINC001193959612 1071694201 /nfs/dbraw/zinc/69/42/01/1071694201.db2.gz NGGBGLDDBWDGJO-UHFFFAOYSA-N 2 2 404.515 -0.303 20 0 HBADLP Cc1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c(=O)[nH]c1C ZINC001193959612 1071694194 /nfs/dbraw/zinc/69/41/94/1071694194.db2.gz NGGBGLDDBWDGJO-UHFFFAOYSA-N 2 2 404.515 -0.303 20 0 HBADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001194088712 1071697468 /nfs/dbraw/zinc/69/74/68/1071697468.db2.gz UQZPJJJJWDHDPZ-IBGZPJMESA-N 2 2 417.620 -0.660 20 0 HBADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001194088712 1071697464 /nfs/dbraw/zinc/69/74/64/1071697464.db2.gz UQZPJJJJWDHDPZ-IBGZPJMESA-N 2 2 417.620 -0.660 20 0 HBADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001194088713 1071698122 /nfs/dbraw/zinc/69/81/22/1071698122.db2.gz UQZPJJJJWDHDPZ-LJQANCHMSA-N 2 2 417.620 -0.660 20 0 HBADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001194088713 1071698117 /nfs/dbraw/zinc/69/81/17/1071698117.db2.gz UQZPJJJJWDHDPZ-LJQANCHMSA-N 2 2 417.620 -0.660 20 0 HBADLP COC(=O)c1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)[nH]n1 ZINC001194287911 1071700995 /nfs/dbraw/zinc/70/09/95/1071700995.db2.gz XTHLLHNLMRZUOK-UHFFFAOYSA-N 2 2 406.487 -0.493 20 0 HBADLP COC(=O)c1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)[nH]n1 ZINC001194287911 1071700990 /nfs/dbraw/zinc/70/09/90/1071700990.db2.gz XTHLLHNLMRZUOK-UHFFFAOYSA-N 2 2 406.487 -0.493 20 0 HBADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001194525079 1071704212 /nfs/dbraw/zinc/70/42/12/1071704212.db2.gz JEMODABXIORVOS-HDICACEKSA-N 2 2 400.479 -0.066 20 0 HBADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001194525079 1071704209 /nfs/dbraw/zinc/70/42/09/1071704209.db2.gz JEMODABXIORVOS-HDICACEKSA-N 2 2 400.479 -0.066 20 0 HBADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001194525079 1071704206 /nfs/dbraw/zinc/70/42/06/1071704206.db2.gz JEMODABXIORVOS-HDICACEKSA-N 2 2 400.479 -0.066 20 0 HBADLP C[NH+]1CCN(c2cc(Br)ccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001194612282 1071706247 /nfs/dbraw/zinc/70/62/47/1071706247.db2.gz WRQMCIUJMPKEKO-HRCADAONSA-N 2 2 424.347 -0.666 20 0 HBADLP C[NH+]1CCN(c2cc(Br)ccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001194612283 1071706042 /nfs/dbraw/zinc/70/60/42/1071706042.db2.gz WRQMCIUJMPKEKO-JYJNAYRXSA-N 2 2 424.347 -0.666 20 0 HBADLP C[NH+]1CCN(c2cc(Br)ccc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001194612284 1071706073 /nfs/dbraw/zinc/70/60/73/1071706073.db2.gz WRQMCIUJMPKEKO-OWCLPIDISA-N 2 2 424.347 -0.666 20 0 HBADLP C[NH+]1CCN(c2cc(Br)ccc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001194612285 1071706137 /nfs/dbraw/zinc/70/61/37/1071706137.db2.gz WRQMCIUJMPKEKO-PMPSAXMXSA-N 2 2 424.347 -0.666 20 0 HBADLP COCCn1cncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001194645509 1071705143 /nfs/dbraw/zinc/70/51/43/1071705143.db2.gz QHIZRZHCYGMHOF-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP COCCn1cncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001194645509 1071705138 /nfs/dbraw/zinc/70/51/38/1071705138.db2.gz QHIZRZHCYGMHOF-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP COCCn1cnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1 ZINC001194665329 1071706655 /nfs/dbraw/zinc/70/66/55/1071706655.db2.gz CRUVRYYFQDTKCN-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP COCCn1cnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1 ZINC001194665329 1071706649 /nfs/dbraw/zinc/70/66/49/1071706649.db2.gz CRUVRYYFQDTKCN-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnccc3C(N)=O)CC2)C1=O ZINC001195431021 1071718936 /nfs/dbraw/zinc/71/89/36/1071718936.db2.gz OMPOZWDZCMRNNJ-UHFFFAOYSA-N 2 2 402.499 -0.509 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnccc3C(N)=O)CC2)C1=O ZINC001195431021 1071718934 /nfs/dbraw/zinc/71/89/34/1071718934.db2.gz OMPOZWDZCMRNNJ-UHFFFAOYSA-N 2 2 402.499 -0.509 20 0 HBADLP C[N@H+]1CCN(c2ncccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)[C@H](c2ccccc2)C1 ZINC001195709361 1071726052 /nfs/dbraw/zinc/72/60/52/1071726052.db2.gz LTXLPYGKAMQLJB-IWFBPKFRSA-N 2 2 422.537 -0.293 20 0 HBADLP C[N@@H+]1CCN(c2ncccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)[C@H](c2ccccc2)C1 ZINC001195709361 1071726049 /nfs/dbraw/zinc/72/60/49/1071726049.db2.gz LTXLPYGKAMQLJB-IWFBPKFRSA-N 2 2 422.537 -0.293 20 0 HBADLP C[N@H+]1CCN(c2ncccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)[C@@H](c2ccccc2)C1 ZINC001195709362 1071725996 /nfs/dbraw/zinc/72/59/96/1071725996.db2.gz LTXLPYGKAMQLJB-JKBKZWBZSA-N 2 2 422.537 -0.293 20 0 HBADLP C[N@@H+]1CCN(c2ncccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)[C@@H](c2ccccc2)C1 ZINC001195709362 1071725990 /nfs/dbraw/zinc/72/59/90/1071725990.db2.gz LTXLPYGKAMQLJB-JKBKZWBZSA-N 2 2 422.537 -0.293 20 0 HBADLP C[N@H+]1CCN(c2ncccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)[C@H](c2ccccc2)C1 ZINC001195709364 1071726130 /nfs/dbraw/zinc/72/61/30/1071726130.db2.gz LTXLPYGKAMQLJB-VNYTWHDVSA-N 2 2 422.537 -0.293 20 0 HBADLP C[N@@H+]1CCN(c2ncccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)[C@H](c2ccccc2)C1 ZINC001195709364 1071726125 /nfs/dbraw/zinc/72/61/25/1071726125.db2.gz LTXLPYGKAMQLJB-VNYTWHDVSA-N 2 2 422.537 -0.293 20 0 HBADLP C[N@H+]1CCN(c2ncccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)[C@@H](c2ccccc2)C1 ZINC001195709366 1071726076 /nfs/dbraw/zinc/72/60/76/1071726076.db2.gz LTXLPYGKAMQLJB-XODKDNOYSA-N 2 2 422.537 -0.293 20 0 HBADLP C[N@@H+]1CCN(c2ncccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)[C@@H](c2ccccc2)C1 ZINC001195709366 1071726073 /nfs/dbraw/zinc/72/60/73/1071726073.db2.gz LTXLPYGKAMQLJB-XODKDNOYSA-N 2 2 422.537 -0.293 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3c[nH]c(=S)[nH]c3=O)CC2)C1=O ZINC001196012929 1071731470 /nfs/dbraw/zinc/73/14/70/1071731470.db2.gz FBTZISBWACBESY-UHFFFAOYSA-N 2 2 408.528 -0.219 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3c[nH]c(=S)[nH]c3=O)CC2)C1=O ZINC001196012929 1071731461 /nfs/dbraw/zinc/73/14/61/1071731461.db2.gz FBTZISBWACBESY-UHFFFAOYSA-N 2 2 408.528 -0.219 20 0 HBADLP CC(=O)NCC(=O)N1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001196798180 1071743140 /nfs/dbraw/zinc/74/31/40/1071743140.db2.gz HLZGTCVXVHXVCD-UHFFFAOYSA-N 2 2 416.526 -0.209 20 0 HBADLP CC(=O)NCC(=O)N1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001196798180 1071743135 /nfs/dbraw/zinc/74/31/35/1071743135.db2.gz HLZGTCVXVHXVCD-UHFFFAOYSA-N 2 2 416.526 -0.209 20 0 HBADLP C[NH+]1CCN(C2CC[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001197053026 1071745054 /nfs/dbraw/zinc/74/50/54/1071745054.db2.gz ZTLMSNUNEIWWEF-UHFFFAOYSA-N 2 2 401.577 -0.762 20 0 HBADLP COCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1 ZINC001197471357 1071749460 /nfs/dbraw/zinc/74/94/60/1071749460.db2.gz LLRFXDOQJBFVQK-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP COCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1 ZINC001197471357 1071749453 /nfs/dbraw/zinc/74/94/53/1071749453.db2.gz LLRFXDOQJBFVQK-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001199358428 1071776434 /nfs/dbraw/zinc/77/64/34/1071776434.db2.gz DGZCOJWVOQFTEL-SFHVURJKSA-N 2 2 424.505 -0.224 20 0 HBADLP COCCn1ccnc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001199406646 1071777698 /nfs/dbraw/zinc/77/76/98/1071777698.db2.gz ZHSWLOKYPJSTNF-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP COCCn1ccnc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001199406646 1071777693 /nfs/dbraw/zinc/77/76/93/1071777693.db2.gz ZHSWLOKYPJSTNF-UHFFFAOYSA-N 2 2 406.531 -0.160 20 0 HBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(CCO)ccn3)CC2)C1=O ZINC001199758139 1071781005 /nfs/dbraw/zinc/78/10/05/1071781005.db2.gz FQVGZZOFNGJGDD-UHFFFAOYSA-N 2 2 403.527 -0.073 20 0 HBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(CCO)ccn3)CC2)C1=O ZINC001199758139 1071781001 /nfs/dbraw/zinc/78/10/01/1071781001.db2.gz FQVGZZOFNGJGDD-UHFFFAOYSA-N 2 2 403.527 -0.073 20 0 HBADLP CCOC(=O)[C@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001199822405 1071782087 /nfs/dbraw/zinc/78/20/87/1071782087.db2.gz FFBZNCJJJYTNBG-HNNXBMFYSA-N 2 2 413.588 -0.017 20 0 HBADLP CCOC(=O)[C@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001199822405 1071782082 /nfs/dbraw/zinc/78/20/82/1071782082.db2.gz FFBZNCJJJYTNBG-HNNXBMFYSA-N 2 2 413.588 -0.017 20 0 HBADLP CCOC(=O)[C@@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001199822411 1071782112 /nfs/dbraw/zinc/78/21/12/1071782112.db2.gz FFBZNCJJJYTNBG-OAHLLOKOSA-N 2 2 413.588 -0.017 20 0 HBADLP CCOC(=O)[C@@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001199822411 1071782107 /nfs/dbraw/zinc/78/21/07/1071782107.db2.gz FFBZNCJJJYTNBG-OAHLLOKOSA-N 2 2 413.588 -0.017 20 0 HBADLP Cc1nc(NC(=S)NCCC[NH+]2CCOCC2)cc(N2CC[NH+](CCO)CC2)n1 ZINC001199937654 1071784065 /nfs/dbraw/zinc/78/40/65/1071784065.db2.gz JGGUPPBQFCUDDN-UHFFFAOYSA-N 2 2 423.587 -0.092 20 0 HBADLP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC001211941667 1069221589 /nfs/dbraw/zinc/22/15/89/1069221589.db2.gz WBOBOGXIDHKTGI-HXUWFJFHSA-N 2 2 410.584 -0.038 20 0 HBADLP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC001211941667 1069221576 /nfs/dbraw/zinc/22/15/76/1069221576.db2.gz WBOBOGXIDHKTGI-HXUWFJFHSA-N 2 2 410.584 -0.038 20 0 HBADLP COC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+](C)C1 ZINC001299458238 1071918572 /nfs/dbraw/zinc/91/85/72/1071918572.db2.gz WJFOJLDTDDVMOL-DLBZAZTESA-N 2 2 410.515 -0.737 20 0 HBADLP COC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC001299458238 1071918569 /nfs/dbraw/zinc/91/85/69/1071918569.db2.gz WJFOJLDTDDVMOL-DLBZAZTESA-N 2 2 410.515 -0.737 20 0 HBADLP COC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+](C)C1 ZINC001299458240 1071918466 /nfs/dbraw/zinc/91/84/66/1071918466.db2.gz WJFOJLDTDDVMOL-IAGOWNOFSA-N 2 2 410.515 -0.737 20 0 HBADLP COC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC001299458240 1071918460 /nfs/dbraw/zinc/91/84/60/1071918460.db2.gz WJFOJLDTDDVMOL-IAGOWNOFSA-N 2 2 410.515 -0.737 20 0 HBADLP COC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+](C)C1 ZINC001299458241 1071918595 /nfs/dbraw/zinc/91/85/95/1071918595.db2.gz WJFOJLDTDDVMOL-IRXDYDNUSA-N 2 2 410.515 -0.737 20 0 HBADLP COC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC001299458241 1071918592 /nfs/dbraw/zinc/91/85/92/1071918592.db2.gz WJFOJLDTDDVMOL-IRXDYDNUSA-N 2 2 410.515 -0.737 20 0 HBADLP COC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+](C)C1 ZINC001299458243 1071919116 /nfs/dbraw/zinc/91/91/16/1071919116.db2.gz WJFOJLDTDDVMOL-SJORKVTESA-N 2 2 410.515 -0.737 20 0 HBADLP COC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+](C)C1 ZINC001299458243 1071919113 /nfs/dbraw/zinc/91/91/13/1071919113.db2.gz WJFOJLDTDDVMOL-SJORKVTESA-N 2 2 410.515 -0.737 20 0 HBADLP C[NH+]1CCN(c2ncc(C[NH2+]CCS(=O)(=O)N3CCSCC3)cn2)CC1 ZINC001649126096 1069526826 /nfs/dbraw/zinc/52/68/26/1069526826.db2.gz CPHDFVVSLYRJPD-UHFFFAOYSA-N 2 2 400.574 -0.303 20 0 HBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)CC1 ZINC001687346539 1068503880 /nfs/dbraw/zinc/50/38/80/1068503880.db2.gz JTUHCHJDDYRQNX-NRFANRHFSA-N 2 2 423.558 -0.184 20 0 HBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2)CC1 ZINC001687346539 1068503867 /nfs/dbraw/zinc/50/38/67/1068503867.db2.gz JTUHCHJDDYRQNX-NRFANRHFSA-N 2 2 423.558 -0.184 20 0 HBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)CC1 ZINC001687346540 1068504560 /nfs/dbraw/zinc/50/45/60/1068504560.db2.gz JTUHCHJDDYRQNX-OAQYLSRUSA-N 2 2 423.558 -0.184 20 0 HBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@]34COCCN3C(=O)COC4)CC2)CC1 ZINC001687346540 1068504549 /nfs/dbraw/zinc/50/45/49/1068504549.db2.gz JTUHCHJDDYRQNX-OAQYLSRUSA-N 2 2 423.558 -0.184 20 0 HBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)CC1 ZINC001687452822 1069107582 /nfs/dbraw/zinc/10/75/82/1069107582.db2.gz DTMOUKWRGRCZRJ-UHFFFAOYSA-N 2 2 404.519 -0.277 20 0 HBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)CC1 ZINC001687452822 1069107577 /nfs/dbraw/zinc/10/75/77/1069107577.db2.gz DTMOUKWRGRCZRJ-UHFFFAOYSA-N 2 2 404.519 -0.277 20 0 HBADLP