smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000009983710 1067931933 /nfs/dbraw/zinc/93/19/33/1067931933.db2.gz DXUNBWUDOMTRBF-SFHVURJKSA-N 1 0 483.591 -0.305 20 0 JBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000009983715 1067931980 /nfs/dbraw/zinc/93/19/80/1067931980.db2.gz DXUNBWUDOMTRBF-GOSISDBHSA-N 1 0 483.591 -0.305 20 0 JBADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)cc2)CC1 ZINC000011394773 1068987788 /nfs/dbraw/zinc/98/77/88/1068987788.db2.gz XNUBSWLAXBNCSA-UHFFFAOYSA-N 1 0 483.529 -0.243 20 0 JBADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000015659579 1069097384 /nfs/dbraw/zinc/09/73/84/1069097384.db2.gz FHTGVLMHDVBJFR-UHFFFAOYSA-N 1 0 458.544 -0.156 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000015722328 1069540718 /nfs/dbraw/zinc/54/07/18/1069540718.db2.gz HZDFWTSYGOUTRD-QAETUUGQSA-N 1 0 459.588 -0.934 20 0 JBADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CC1 ZINC000016218389 1067671941 /nfs/dbraw/zinc/67/19/41/1067671941.db2.gz BFOKLVQYMBXJEC-UHFFFAOYSA-N 1 0 483.529 -0.243 20 0 JBADRO CCn1cnc2c1c(=O)n(CC(=O)NNC(=S)NCC[NH+](C)C)c(=O)n2Cc1ccccc1 ZINC000016308826 1069097779 /nfs/dbraw/zinc/09/77/79/1069097779.db2.gz FTPVYCTWJCSZPT-UHFFFAOYSA-N 1 0 472.575 -0.515 20 0 JBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)c1 ZINC000016848900 1069003160 /nfs/dbraw/zinc/00/31/60/1069003160.db2.gz DLEGQBXNIWIKIV-UHFFFAOYSA-N 1 0 481.575 -0.016 20 0 JBADRO Cc1noc(C)c1S(=O)(=O)N1CCCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000017519804 1069003624 /nfs/dbraw/zinc/00/36/24/1069003624.db2.gz BIEGDJNRBCNLPZ-UHFFFAOYSA-N 1 0 454.553 -0.038 20 0 JBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000017819008 1069099101 /nfs/dbraw/zinc/09/91/01/1069099101.db2.gz KQFOLMRAOCVJMX-HUUCEWRRSA-N 1 0 469.564 -0.088 20 0 JBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000017819011 1069099139 /nfs/dbraw/zinc/09/91/39/1069099139.db2.gz KQFOLMRAOCVJMX-GASCZTMLSA-N 1 0 469.564 -0.088 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c(Br)nc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000018470764 1069006250 /nfs/dbraw/zinc/00/62/50/1069006250.db2.gz PHQYUJAUHJJPIK-LBPRGKRZSA-N 1 0 471.356 -0.331 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2c(Br)nc3c2n(C)c(=O)n(C)c3=O)C1 ZINC000018470766 1069006513 /nfs/dbraw/zinc/00/65/13/1069006513.db2.gz PHQYUJAUHJJPIK-GFCCVEGCSA-N 1 0 471.356 -0.331 20 0 JBADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3cccc4nsnc43)CC1)C2=O ZINC000019104539 1068395724 /nfs/dbraw/zinc/39/57/24/1068395724.db2.gz VGWNOPIEZFLLTE-UHFFFAOYSA-N 1 0 479.588 -0.029 20 0 JBADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)C2=O ZINC000020631390 1067707898 /nfs/dbraw/zinc/70/78/98/1067707898.db2.gz QMOQVZHLRAPXOS-UHFFFAOYSA-N 1 0 466.520 -0.125 20 0 JBADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC1)C2=O ZINC000020631438 1067707569 /nfs/dbraw/zinc/70/75/69/1067707569.db2.gz WOXBUWFUYSMSKX-UHFFFAOYSA-N 1 0 466.520 -0.125 20 0 JBADRO COc1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)cc1 ZINC000020631526 1067707607 /nfs/dbraw/zinc/70/76/07/1067707607.db2.gz UNYBJPTVGOZDTP-UHFFFAOYSA-N 1 0 451.549 -0.025 20 0 JBADRO COc1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)cc1[N+](=O)[O-] ZINC000020632944 1069100514 /nfs/dbraw/zinc/10/05/14/1069100514.db2.gz DAFGINYVWMXHRT-UHFFFAOYSA-N 1 0 496.546 -0.117 20 0 JBADRO CCn1cnc2c1c(=O)n(CC(=O)NNC(=S)NCCC[NH+](C)C)c(=O)n2Cc1ccccc1 ZINC000023102781 1068395789 /nfs/dbraw/zinc/39/57/89/1068395789.db2.gz XORSRDVESSZGBC-UHFFFAOYSA-N 1 0 486.602 -0.125 20 0 JBADRO CCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000024815092 1068373164 /nfs/dbraw/zinc/37/31/64/1068373164.db2.gz NCEBCVYNCQCEDL-GOSISDBHSA-N 1 0 458.625 -0.237 20 0 JBADRO CCN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000024815096 1068373275 /nfs/dbraw/zinc/37/32/75/1068373275.db2.gz NCEBCVYNCQCEDL-SFHVURJKSA-N 1 0 458.625 -0.237 20 0 JBADRO COCCNC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000025811634 1067728192 /nfs/dbraw/zinc/72/81/92/1067728192.db2.gz DOAHPYCBCXUBCK-NRFANRHFSA-N 1 0 474.558 -0.028 20 0 JBADRO COCCNC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000025811640 1067728273 /nfs/dbraw/zinc/72/82/73/1067728273.db2.gz DOAHPYCBCXUBCK-OAQYLSRUSA-N 1 0 474.558 -0.028 20 0 JBADRO Cn1ncc2c1ncnc2N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000025935600 1068376552 /nfs/dbraw/zinc/37/65/52/1068376552.db2.gz LYAVWUROEOEGED-UHFFFAOYSA-N 1 0 472.575 -0.118 20 0 JBADRO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000028903934 1068380004 /nfs/dbraw/zinc/38/00/04/1068380004.db2.gz QCCJVRNIBSEPHZ-MRXNPFEDSA-N 1 0 451.593 -0.333 20 0 JBADRO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000028903939 1068380158 /nfs/dbraw/zinc/38/01/58/1068380158.db2.gz QCCJVRNIBSEPHZ-INIZCTEOSA-N 1 0 451.593 -0.333 20 0 JBADRO NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000029190867 1068381442 /nfs/dbraw/zinc/38/14/42/1068381442.db2.gz WMTZGJQVGWIWMN-OAHLLOKOSA-N 1 0 451.549 -0.292 20 0 JBADRO NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000029190869 1068381395 /nfs/dbraw/zinc/38/13/95/1068381395.db2.gz WMTZGJQVGWIWMN-HNNXBMFYSA-N 1 0 451.549 -0.292 20 0 JBADRO Cn1c(=O)c2cc(C(=O)NNC(=O)CC[NH+]3CCN(c4ccccc4)CC3)cnc2n(C)c1=O ZINC000029598172 1068005641 /nfs/dbraw/zinc/00/56/41/1068005641.db2.gz AKCIXYQGFROPGK-UHFFFAOYSA-N 1 0 465.514 -0.395 20 0 JBADRO O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000029702171 1067666583 /nfs/dbraw/zinc/66/65/83/1067666583.db2.gz JSHUIWPMNVUIQC-UHFFFAOYSA-N 1 0 473.640 -0.668 20 0 JBADRO Cn1cnc2c1c(=O)n(CC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)c(=O)n2C ZINC000029999959 1068384886 /nfs/dbraw/zinc/38/48/86/1068384886.db2.gz YLGWAHZZKSTLFL-GOSISDBHSA-N 1 0 453.547 -0.071 20 0 JBADRO Cn1c2ncn(CCC(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000032065452 1068390735 /nfs/dbraw/zinc/39/07/35/1068390735.db2.gz DPMLVHBCPZOGLU-UHFFFAOYSA-N 1 0 453.547 -0.242 20 0 JBADRO CN1CC[N@H+](CCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](c2ccccc2)C1 ZINC000033135279 1068395050 /nfs/dbraw/zinc/39/50/50/1068395050.db2.gz DXKHWMBHYQZICL-GOSISDBHSA-N 1 0 453.547 -0.071 20 0 JBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)cc2)CC1 ZINC000071958798 1067672947 /nfs/dbraw/zinc/67/29/47/1067672947.db2.gz HIDXDEDPRQUDBM-UHFFFAOYSA-N 1 0 453.547 -0.112 20 0 JBADRO O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000105474076 1067713813 /nfs/dbraw/zinc/71/38/13/1067713813.db2.gz VCNSMJIICCKTMK-UHFFFAOYSA-N 1 0 451.612 -0.386 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000106044624 1067720244 /nfs/dbraw/zinc/72/02/44/1067720244.db2.gz XCDSSZCZPJWNJS-HSALFYBXSA-N 1 0 475.656 -0.569 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000106044628 1067720135 /nfs/dbraw/zinc/72/01/35/1067720135.db2.gz XCDSSZCZPJWNJS-SLFFLAALSA-N 1 0 475.656 -0.569 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000106044630 1067720193 /nfs/dbraw/zinc/72/01/93/1067720193.db2.gz XCDSSZCZPJWNJS-VAMGGRTRSA-N 1 0 475.656 -0.569 20 0 JBADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000107509097 1067723434 /nfs/dbraw/zinc/72/34/34/1067723434.db2.gz KSMQBMKPIVDHGS-UHFFFAOYSA-N 1 0 460.578 -0.898 20 0 JBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000107799170 1067723540 /nfs/dbraw/zinc/72/35/40/1067723540.db2.gz MUXZWNUFQNUDDB-UHFFFAOYSA-N 1 0 453.547 -0.112 20 0 JBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(C[NH+]3CCC(C(N)=O)CC3)c1)c(=O)n2C ZINC000108212706 1068402278 /nfs/dbraw/zinc/40/22/78/1068402278.db2.gz REZYQWWJTLJWGB-UHFFFAOYSA-N 1 0 453.503 -0.230 20 0 JBADRO Cn1cnc2c1c(=O)n(CC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c(=O)n2C ZINC000109118814 1067639832 /nfs/dbraw/zinc/63/98/32/1067639832.db2.gz RKLAWZJCEVYOSK-UHFFFAOYSA-N 1 0 461.567 -0.624 20 0 JBADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000110547189 1068405987 /nfs/dbraw/zinc/40/59/87/1068405987.db2.gz VJCMOXXGOMZCRB-INIZCTEOSA-N 1 0 453.565 -0.031 20 0 JBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000110548819 1067889852 /nfs/dbraw/zinc/88/98/52/1067889852.db2.gz WYFIMSOBMAKGSZ-IBGZPJMESA-N 1 0 479.603 -0.143 20 0 JBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000110548823 1067890040 /nfs/dbraw/zinc/89/00/40/1067890040.db2.gz WYFIMSOBMAKGSZ-LJQANCHMSA-N 1 0 479.603 -0.143 20 0 JBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000110550315 1067890455 /nfs/dbraw/zinc/89/04/55/1067890455.db2.gz CFQOXCHXKXXZJM-INIZCTEOSA-N 1 0 474.605 -0.427 20 0 JBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000110550319 1067890322 /nfs/dbraw/zinc/89/03/22/1067890322.db2.gz CFQOXCHXKXXZJM-MRXNPFEDSA-N 1 0 474.605 -0.427 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000110831758 1067890419 /nfs/dbraw/zinc/89/04/19/1067890419.db2.gz KDFWXPZJNXUNHA-INIZCTEOSA-N 1 0 453.565 -0.630 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000110831761 1067890253 /nfs/dbraw/zinc/89/02/53/1067890253.db2.gz KDFWXPZJNXUNHA-MRXNPFEDSA-N 1 0 453.565 -0.630 20 0 JBADRO 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CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000505375918 1068074010 /nfs/dbraw/zinc/07/40/10/1068074010.db2.gz WSTPGUQFFAUSRU-UHFFFAOYSA-N 1 0 465.576 -0.567 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000505394373 1067778258 /nfs/dbraw/zinc/77/82/58/1067778258.db2.gz HSQPSDLESLVXGM-UHFFFAOYSA-N 1 0 465.576 -0.567 20 0 JBADRO O=C(CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000505643767 1067812787 /nfs/dbraw/zinc/81/27/87/1067812787.db2.gz FXUJFADQSYUJDE-IBGZPJMESA-N 1 0 451.593 -0.203 20 0 JBADRO O=C(CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000505643771 1067813109 /nfs/dbraw/zinc/81/31/09/1067813109.db2.gz FXUJFADQSYUJDE-LJQANCHMSA-N 1 0 451.593 -0.203 20 0 JBADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C[C@H](C)O1 ZINC000505644364 1067813315 /nfs/dbraw/zinc/81/33/15/1067813315.db2.gz AIRXBFNGHYWPHW-GASCZTMLSA-N 1 0 457.553 -0.106 20 0 JBADRO 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495.602 -0.323 20 0 JBADRO Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc(-c3ccc4c(c3)OCO4)nc21 ZINC000570817046 1069047336 /nfs/dbraw/zinc/04/73/36/1069047336.db2.gz ZUOWXIOZGJFOAQ-GXTWGEPZSA-N 1 0 478.465 -0.186 20 0 JBADRO Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc(-c3ccc4c(c3)OCO4)nc21 ZINC000570817047 1069047267 /nfs/dbraw/zinc/04/72/67/1069047267.db2.gz ZUOWXIOZGJFOAQ-JSGCOSHPSA-N 1 0 478.465 -0.186 20 0 JBADRO Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc(-c3ccc4c(c3)OCO4)nc21 ZINC000570817048 1069047430 /nfs/dbraw/zinc/04/74/30/1069047430.db2.gz ZUOWXIOZGJFOAQ-OCCSQVGLSA-N 1 0 478.465 -0.186 20 0 JBADRO Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc(-c3ccc4c(c3)OCO4)nc21 ZINC000570817049 1069047279 /nfs/dbraw/zinc/04/72/79/1069047279.db2.gz ZUOWXIOZGJFOAQ-TZMCWYRMSA-N 1 0 478.465 -0.186 20 0 JBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCn3c4ccc(S(=O)(=O)N5CCCC5)cc4oc3=O)CCN2C1=O ZINC000572014993 1068013415 /nfs/dbraw/zinc/01/34/15/1068013415.db2.gz GBODQAYPHJZOGB-GDBMZVCRSA-N 1 0 477.543 -0.461 20 0 JBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CCn3c4ccc(S(=O)(=O)N5CCCC5)cc4oc3=O)CCN2C1=O ZINC000572014994 1068013501 /nfs/dbraw/zinc/01/35/01/1068013501.db2.gz GBODQAYPHJZOGB-GOEBONIOSA-N 1 0 477.543 -0.461 20 0 JBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)CCn3c4ccc(S(=O)(=O)N5CCCC5)cc4oc3=O)CCN2C1=O ZINC000572014995 1068013150 /nfs/dbraw/zinc/01/31/50/1068013150.db2.gz GBODQAYPHJZOGB-HOCLYGCPSA-N 1 0 477.543 -0.461 20 0 JBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCn3c4ccc(S(=O)(=O)N5CCCC5)cc4oc3=O)CCN2C1=O ZINC000572014996 1068013096 /nfs/dbraw/zinc/01/30/96/1068013096.db2.gz GBODQAYPHJZOGB-ZBFHGGJFSA-N 1 0 477.543 -0.461 20 0 JBADRO NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572179816 1069048005 /nfs/dbraw/zinc/04/80/05/1069048005.db2.gz FAPRYIJGKCXUQQ-CFVMTHIKSA-N 1 0 491.492 -0.612 20 0 JBADRO NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572179817 1069048382 /nfs/dbraw/zinc/04/83/82/1069048382.db2.gz FAPRYIJGKCXUQQ-QEJZJMRPSA-N 1 0 491.492 -0.612 20 0 JBADRO NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572179818 1069047814 /nfs/dbraw/zinc/04/78/14/1069047814.db2.gz FAPRYIJGKCXUQQ-SNPRPXQTSA-N 1 0 491.492 -0.612 20 0 JBADRO NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572179819 1069048151 /nfs/dbraw/zinc/04/81/51/1069048151.db2.gz FAPRYIJGKCXUQQ-YUELXQCFSA-N 1 0 491.492 -0.612 20 0 JBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)C[C@@H](C)O1 ZINC000572735838 1068018544 /nfs/dbraw/zinc/01/85/44/1068018544.db2.gz FPYRZDWZVPRDAX-FXRXJOCMSA-N 1 0 465.576 -0.333 20 0 JBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)C[C@@H](C)O1 ZINC000572735839 1068018415 /nfs/dbraw/zinc/01/84/15/1068018415.db2.gz FPYRZDWZVPRDAX-IIHSZXCVSA-N 1 0 465.576 -0.333 20 0 JBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)C[C@H](C)O1 ZINC000572735840 1068018199 /nfs/dbraw/zinc/01/81/99/1068018199.db2.gz FPYRZDWZVPRDAX-JHDROBOHSA-N 1 0 465.576 -0.333 20 0 JBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000572735841 1068018517 /nfs/dbraw/zinc/01/85/17/1068018517.db2.gz FPYRZDWZVPRDAX-LORHWOILSA-N 1 0 465.576 -0.333 20 0 JBADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000572901095 1068018329 /nfs/dbraw/zinc/01/83/29/1068018329.db2.gz XXWMCWKSTFSGMR-DOTOQJQBSA-N 1 0 451.549 -0.783 20 0 JBADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000572901096 1068018143 /nfs/dbraw/zinc/01/81/43/1068018143.db2.gz XXWMCWKSTFSGMR-NVXWUHKLSA-N 1 0 451.549 -0.783 20 0 JBADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000572901097 1068018494 /nfs/dbraw/zinc/01/84/94/1068018494.db2.gz XXWMCWKSTFSGMR-RDJZCZTQSA-N 1 0 451.549 -0.783 20 0 JBADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000572901098 1068018450 /nfs/dbraw/zinc/01/84/50/1068018450.db2.gz XXWMCWKSTFSGMR-WBVHZDCISA-N 1 0 451.549 -0.783 20 0 JBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CCN2C1=O ZINC000572975889 1068023250 /nfs/dbraw/zinc/02/32/50/1068023250.db2.gz GGGGQYQCOCTIPJ-DOTOQJQBSA-N 1 0 455.968 -0.583 20 0 JBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CCN2C1=O ZINC000572975890 1068023274 /nfs/dbraw/zinc/02/32/74/1068023274.db2.gz GGGGQYQCOCTIPJ-NVXWUHKLSA-N 1 0 455.968 -0.583 20 0 JBADRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CCN2C1=O ZINC000572975891 1068023014 /nfs/dbraw/zinc/02/30/14/1068023014.db2.gz GGGGQYQCOCTIPJ-RDJZCZTQSA-N 1 0 455.968 -0.583 20 0 JBADRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CCN2C1=O ZINC000572975892 1068022880 /nfs/dbraw/zinc/02/28/80/1068022880.db2.gz GGGGQYQCOCTIPJ-WBVHZDCISA-N 1 0 455.968 -0.583 20 0 JBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cc(I)ccc3-n3cnnn3)CCN2C1=O ZINC000573137991 1069047881 /nfs/dbraw/zinc/04/78/81/1069047881.db2.gz CFQDFIZRZLTTDR-CMPLNLGQSA-N 1 0 453.244 -0.349 20 0 JBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cc(I)ccc3-n3cnnn3)CCN2C1=O ZINC000573137992 1069048111 /nfs/dbraw/zinc/04/81/11/1069048111.db2.gz CFQDFIZRZLTTDR-JQWIXIFHSA-N 1 0 453.244 -0.349 20 0 JBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cc(I)ccc3-n3cnnn3)CCN2C1=O ZINC000573137993 1069048237 /nfs/dbraw/zinc/04/82/37/1069048237.db2.gz CFQDFIZRZLTTDR-PWSUYJOCSA-N 1 0 453.244 -0.349 20 0 JBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cc(I)ccc3-n3cnnn3)CCN2C1=O ZINC000573137994 1069048317 /nfs/dbraw/zinc/04/83/17/1069048317.db2.gz CFQDFIZRZLTTDR-ZYHUDNBSSA-N 1 0 453.244 -0.349 20 0 JBADRO CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(=O)[nH]c1=O ZINC000573386723 1068032137 /nfs/dbraw/zinc/03/21/37/1068032137.db2.gz MNKDYTVTIIKTCA-CVEARBPZSA-N 1 0 491.593 -0.129 20 0 JBADRO CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(=O)[nH]c1=O ZINC000573386724 1068032238 /nfs/dbraw/zinc/03/22/38/1068032238.db2.gz MNKDYTVTIIKTCA-HOTGVXAUSA-N 1 0 491.593 -0.129 20 0 JBADRO CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(=O)[nH]c1=O ZINC000573386725 1068032913 /nfs/dbraw/zinc/03/29/13/1068032913.db2.gz MNKDYTVTIIKTCA-HZPDHXFCSA-N 1 0 491.593 -0.129 20 0 JBADRO CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(=O)[nH]c1=O ZINC000573386726 1068033070 /nfs/dbraw/zinc/03/30/70/1068033070.db2.gz MNKDYTVTIIKTCA-JKSUJKDBSA-N 1 0 491.593 -0.129 20 0 JBADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573578896 1068035464 /nfs/dbraw/zinc/03/54/64/1068035464.db2.gz YGMNIGXJMSCVGT-HFTRVMKXSA-N 1 0 451.549 -0.722 20 0 JBADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573578897 1068035227 /nfs/dbraw/zinc/03/52/27/1068035227.db2.gz YGMNIGXJMSCVGT-KYJSFNMBSA-N 1 0 451.549 -0.722 20 0 JBADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573578898 1068035320 /nfs/dbraw/zinc/03/53/20/1068035320.db2.gz YGMNIGXJMSCVGT-QGPMSJSTSA-N 1 0 451.549 -0.722 20 0 JBADRO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573578899 1068035142 /nfs/dbraw/zinc/03/51/42/1068035142.db2.gz YGMNIGXJMSCVGT-UWWQBHOKSA-N 1 0 451.549 -0.722 20 0 JBADRO COCCn1cnc2c1c(=O)n(CC(=O)N1CCN(CC[NH+](C)C)CC1)c(=O)n2Cc1ccccc1 ZINC000574921932 1069047778 /nfs/dbraw/zinc/04/77/78/1069047778.db2.gz WARASVFEVLDUEM-UHFFFAOYSA-N 1 0 497.600 -0.240 20 0 JBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)CCN2C1=O ZINC000575073087 1069048189 /nfs/dbraw/zinc/04/81/89/1069048189.db2.gz QVAADRVPZLIVQM-DOTOQJQBSA-N 1 0 464.544 -0.371 20 0 JBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)CCN2C1=O ZINC000575073088 1069047957 /nfs/dbraw/zinc/04/79/57/1069047957.db2.gz QVAADRVPZLIVQM-NVXWUHKLSA-N 1 0 464.544 -0.371 20 0 JBADRO [NH3+][C@H]1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)CCN2C1=O ZINC000575073089 1069048354 /nfs/dbraw/zinc/04/83/54/1069048354.db2.gz QVAADRVPZLIVQM-RDJZCZTQSA-N 1 0 464.544 -0.371 20 0 JBADRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)CCN2C1=O ZINC000575073090 1069048269 /nfs/dbraw/zinc/04/82/69/1069048269.db2.gz QVAADRVPZLIVQM-WBVHZDCISA-N 1 0 464.544 -0.371 20 0 JBADRO COCCn1cnc2c1c(=O)n(CC(=O)N1C[C@H]3C[NH2+]C[C@H]3C1)c(=O)n2Cc1ccccc1 ZINC000575399975 1069048760 /nfs/dbraw/zinc/04/87/60/1069048760.db2.gz DZKSGMQBQXWAME-HDICACEKSA-N 1 0 452.515 -0.268 20 0 JBADRO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000575921732 1069048997 /nfs/dbraw/zinc/04/89/97/1069048997.db2.gz MONKSENZMOGMSK-CALCHBBNSA-N 1 0 450.561 -0.165 20 0 JBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000576411504 1069048557 /nfs/dbraw/zinc/04/85/57/1069048557.db2.gz SBTPJJZZFDQZGL-HKUYNNGSSA-N 1 0 477.587 -0.621 20 0 JBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000576411523 1069048867 /nfs/dbraw/zinc/04/88/67/1069048867.db2.gz SBTPJJZZFDQZGL-IEBWSBKVSA-N 1 0 477.587 -0.621 20 0 JBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000576411526 1069048724 /nfs/dbraw/zinc/04/87/24/1069048724.db2.gz SBTPJJZZFDQZGL-MJGOQNOKSA-N 1 0 477.587 -0.621 20 0 JBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000576411534 1069049189 /nfs/dbraw/zinc/04/91/89/1069049189.db2.gz SBTPJJZZFDQZGL-PKOBYXMFSA-N 1 0 477.587 -0.621 20 0 JBADRO 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O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590854643 1068026871 /nfs/dbraw/zinc/02/68/71/1068026871.db2.gz CVERJLNTRMOFCX-MOPGFXCFSA-N 1 0 466.608 -0.226 20 0 JBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000590854644 1068026748 /nfs/dbraw/zinc/02/67/48/1068026748.db2.gz CVERJLNTRMOFCX-OALUTQOASA-N 1 0 466.608 -0.226 20 0 JBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590854645 1068027143 /nfs/dbraw/zinc/02/71/43/1068027143.db2.gz CVERJLNTRMOFCX-RBUKOAKNSA-N 1 0 466.608 -0.226 20 0 JBADRO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590854646 1068027241 /nfs/dbraw/zinc/02/72/41/1068027241.db2.gz CVERJLNTRMOFCX-RTBURBONSA-N 1 0 466.608 -0.226 20 0 JBADRO CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000590879167 1068026931 /nfs/dbraw/zinc/02/69/31/1068026931.db2.gz CHLOHALLKSKWNZ-UHFFFAOYSA-N 1 0 470.574 -0.221 20 0 JBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000590879411 1068026815 /nfs/dbraw/zinc/02/68/15/1068026815.db2.gz FJZNIMWHEHUWHI-UHFFFAOYSA-N 1 0 463.560 -0.168 20 0 JBADRO CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2)C1=O ZINC000590879413 1068027211 /nfs/dbraw/zinc/02/72/11/1068027211.db2.gz HWSWHNSMQVYZBV-UHFFFAOYSA-N 1 0 456.503 -0.210 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000590915538 1068026970 /nfs/dbraw/zinc/02/69/70/1068026970.db2.gz LECPQZUIIUJOLV-UHFFFAOYSA-N 1 0 455.581 -0.328 20 0 JBADRO CS(=O)(=O)N1CCN(CCNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000591030351 1068027858 /nfs/dbraw/zinc/02/78/58/1068027858.db2.gz NNGKZYVCLHWASB-UHFFFAOYSA-N 1 0 468.628 -0.745 20 0 JBADRO CN(C)S(=O)(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000591030876 1068028139 /nfs/dbraw/zinc/02/81/39/1068028139.db2.gz QGEBOYUNHZEIBB-UHFFFAOYSA-N 1 0 454.601 -0.488 20 0 JBADRO 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O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000591216744 1068029928 /nfs/dbraw/zinc/02/99/28/1068029928.db2.gz KTZHRQMZMYQEDN-FQEVSTJZSA-N 1 0 459.595 -0.324 20 0 JBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000591216748 1068030311 /nfs/dbraw/zinc/03/03/11/1068030311.db2.gz KTZHRQMZMYQEDN-HXUWFJFHSA-N 1 0 459.595 -0.324 20 0 JBADRO Cn1c(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000591217243 1068030439 /nfs/dbraw/zinc/03/04/39/1068030439.db2.gz QKCBLHBPYHPQPL-UHFFFAOYSA-N 1 0 454.535 -0.302 20 0 JBADRO Cc1nc(S(=O)(=O)NCC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cn1C ZINC000591217256 1068030263 /nfs/dbraw/zinc/03/02/63/1068030263.db2.gz QWPYIWNBEQARCX-UHFFFAOYSA-N 1 0 450.569 -0.485 20 0 JBADRO Cn1c2ncn(CC(=O)N3CCN(CC[N@H+](C)Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000591234158 1068030623 /nfs/dbraw/zinc/03/06/23/1068030623.db2.gz ZSCVWHQFLKBORB-UHFFFAOYSA-N 1 0 453.547 -0.290 20 0 JBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000591413075 1068031160 /nfs/dbraw/zinc/03/11/60/1068031160.db2.gz KFPYZXNKPQHDRF-AWEZNQCLSA-N 1 0 454.553 -0.580 20 0 JBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000591413076 1068031270 /nfs/dbraw/zinc/03/12/70/1068031270.db2.gz KFPYZXNKPQHDRF-CQSZACIVSA-N 1 0 454.553 -0.580 20 0 JBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000591413186 1068031237 /nfs/dbraw/zinc/03/12/37/1068031237.db2.gz WNHHIGQSCIHQBC-INIZCTEOSA-N 1 0 456.569 -0.105 20 0 JBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000591413187 1068031468 /nfs/dbraw/zinc/03/14/68/1068031468.db2.gz WNHHIGQSCIHQBC-MRXNPFEDSA-N 1 0 456.569 -0.105 20 0 JBADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000591413920 1068031112 /nfs/dbraw/zinc/03/11/12/1068031112.db2.gz ZXYMMRGFFBVOOE-INIZCTEOSA-N 1 0 452.581 -0.247 20 0 JBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000591413921 1068031300 /nfs/dbraw/zinc/03/13/00/1068031300.db2.gz ZXYMMRGFFBVOOE-MRXNPFEDSA-N 1 0 452.581 -0.247 20 0 JBADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)ccn2)CC1 ZINC000591555789 1068032716 /nfs/dbraw/zinc/03/27/16/1068032716.db2.gz ZDCCQOMCPHJCSM-UHFFFAOYSA-N 1 0 457.535 -0.664 20 0 JBADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000591579761 1068032986 /nfs/dbraw/zinc/03/29/86/1068032986.db2.gz GBZPEFMNFOBMNZ-UHFFFAOYSA-N 1 0 457.535 -0.664 20 0 JBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000591591802 1068033454 /nfs/dbraw/zinc/03/34/54/1068033454.db2.gz YKADUDVJFOAEHG-UHFFFAOYSA-N 1 0 472.546 -0.519 20 0 JBADRO C[NH+]1CCN(C[C@H](NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c2ccccc2)CC1 ZINC000591593738 1068033829 /nfs/dbraw/zinc/03/38/29/1068033829.db2.gz MVKZSQGNQJHBGN-FQEVSTJZSA-N 1 0 470.574 -0.022 20 0 JBADRO C[NH+]1CCN(C[C@@H](NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c2ccccc2)CC1 ZINC000591593739 1068034018 /nfs/dbraw/zinc/03/40/18/1068034018.db2.gz MVKZSQGNQJHBGN-HXUWFJFHSA-N 1 0 470.574 -0.022 20 0 JBADRO COc1cc(C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000591708305 1068033881 /nfs/dbraw/zinc/03/38/81/1068033881.db2.gz JYUBIVRGNTWVOY-UHFFFAOYSA-N 1 0 470.592 -0.400 20 0 JBADRO Cn1c(=O)c2cc(NC(=O)C(=O)NCCc3ccc(OCC[NH+](C)C)cc3)cnc2n(C)c1=O ZINC000591766246 1068035390 /nfs/dbraw/zinc/03/53/90/1068035390.db2.gz RBHWJHSASFFKLR-UHFFFAOYSA-N 1 0 468.514 -0.130 20 0 JBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000591851894 1068035973 /nfs/dbraw/zinc/03/59/73/1068035973.db2.gz FCIIWYFXIHRDTE-UHFFFAOYSA-N 1 0 472.564 -0.309 20 0 JBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000591852058 1068036019 /nfs/dbraw/zinc/03/60/19/1068036019.db2.gz SWNWFATUYZMNNR-UHFFFAOYSA-N 1 0 456.565 -0.009 20 0 JBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000591852061 1068035752 /nfs/dbraw/zinc/03/57/52/1068035752.db2.gz UCLYEGZQERNMBB-UHFFFAOYSA-N 1 0 472.564 -0.309 20 0 JBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000591852177 1068035870 /nfs/dbraw/zinc/03/58/70/1068035870.db2.gz HJZFBINURPDJFA-UHFFFAOYSA-N 1 0 455.581 -0.402 20 0 JBADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000593548149 1068037350 /nfs/dbraw/zinc/03/73/50/1068037350.db2.gz DHUFLOFBGAWICN-UHFFFAOYSA-N 1 0 475.546 -0.515 20 0 JBADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000593548166 1068037415 /nfs/dbraw/zinc/03/74/15/1068037415.db2.gz DSCZTVDFFLAPTJ-UHFFFAOYSA-N 1 0 461.563 -0.041 20 0 JBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CC2)CC1 ZINC000593548794 1068037209 /nfs/dbraw/zinc/03/72/09/1068037209.db2.gz RFPQUIJEIFDTSH-UHFFFAOYSA-N 1 0 496.634 -0.408 20 0 JBADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000593549032 1068037042 /nfs/dbraw/zinc/03/70/42/1068037042.db2.gz XUCDOOWBTQZTCO-UHFFFAOYSA-N 1 0 483.591 -0.323 20 0 JBADRO COc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000593893464 1068038130 /nfs/dbraw/zinc/03/81/30/1068038130.db2.gz KEHWQSBGWQNJDC-INIZCTEOSA-N 1 0 454.549 -0.214 20 0 JBADRO COc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000593893466 1068037671 /nfs/dbraw/zinc/03/76/71/1068037671.db2.gz KEHWQSBGWQNJDC-MRXNPFEDSA-N 1 0 454.549 -0.214 20 0 JBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2)CC1 ZINC000593896462 1068037721 /nfs/dbraw/zinc/03/77/21/1068037721.db2.gz ICYQRAOCEFOBHS-IBGZPJMESA-N 1 0 465.576 -0.391 20 0 JBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2)CC1 ZINC000593896469 1068037954 /nfs/dbraw/zinc/03/79/54/1068037954.db2.gz ICYQRAOCEFOBHS-LJQANCHMSA-N 1 0 465.576 -0.391 20 0 JBADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000593898285 1068037860 /nfs/dbraw/zinc/03/78/60/1068037860.db2.gz BYUCTEHJLNFCCK-IBGZPJMESA-N 1 0 467.592 -0.157 20 0 JBADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000593898294 1068038085 /nfs/dbraw/zinc/03/80/85/1068038085.db2.gz BYUCTEHJLNFCCK-LJQANCHMSA-N 1 0 467.592 -0.157 20 0 JBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000593898419 1068037599 /nfs/dbraw/zinc/03/75/99/1068037599.db2.gz IGHYENKDDNRWON-IBGZPJMESA-N 1 0 451.593 -0.243 20 0 JBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000593898420 1068038001 /nfs/dbraw/zinc/03/80/01/1068038001.db2.gz IGHYENKDDNRWON-LJQANCHMSA-N 1 0 451.593 -0.243 20 0 JBADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 ZINC000593913653 1068037817 /nfs/dbraw/zinc/03/78/17/1068037817.db2.gz VKGHPKKDCZZDDN-GOSISDBHSA-N 1 0 482.603 -0.005 20 0 JBADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 ZINC000593913661 1068038621 /nfs/dbraw/zinc/03/86/21/1068038621.db2.gz VKGHPKKDCZZDDN-SFHVURJKSA-N 1 0 482.603 -0.005 20 0 JBADRO CC(=O)N1CCN(C(=O)CCNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000594125843 1068038787 /nfs/dbraw/zinc/03/87/87/1068038787.db2.gz QYROMLHHFNCQCI-UHFFFAOYSA-N 1 0 460.583 -0.241 20 0 JBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000594167124 1068038547 /nfs/dbraw/zinc/03/85/47/1068038547.db2.gz NGYOANSEPQOKKT-INIZCTEOSA-N 1 0 463.564 -0.081 20 0 JBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000594167125 1068039480 /nfs/dbraw/zinc/03/94/80/1068039480.db2.gz NGYOANSEPQOKKT-MRXNPFEDSA-N 1 0 463.564 -0.081 20 0 JBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCCC(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC000594346677 1068039120 /nfs/dbraw/zinc/03/91/20/1068039120.db2.gz KOTHZWAHZRDVNI-UHFFFAOYSA-N 1 0 472.590 -0.040 20 0 JBADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594359524 1068039049 /nfs/dbraw/zinc/03/90/49/1068039049.db2.gz QLXOSBPTRGQCGK-KRWDZBQOSA-N 1 0 463.560 -0.168 20 0 JBADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594359525 1068039277 /nfs/dbraw/zinc/03/92/77/1068039277.db2.gz QLXOSBPTRGQCGK-QGZVFWFLSA-N 1 0 463.560 -0.168 20 0 JBADRO Cn1c2ncn(CC(=O)NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)c2c(=O)n(C)c1=O ZINC000594498077 1068039081 /nfs/dbraw/zinc/03/90/81/1068039081.db2.gz KIMIKPYKHOBLMR-KRWDZBQOSA-N 1 0 467.530 -0.553 20 0 JBADRO Cn1c2ncn(CC(=O)NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)c2c(=O)n(C)c1=O ZINC000594498078 1068039451 /nfs/dbraw/zinc/03/94/51/1068039451.db2.gz KIMIKPYKHOBLMR-QGZVFWFLSA-N 1 0 467.530 -0.553 20 0 JBADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)c(=O)n2C ZINC000594501740 1068040135 /nfs/dbraw/zinc/04/01/35/1068040135.db2.gz UZGGOGMKGRPIKC-KRWDZBQOSA-N 1 0 467.530 -0.553 20 0 JBADRO Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)c(=O)n2C ZINC000594501742 1068039749 /nfs/dbraw/zinc/03/97/49/1068039749.db2.gz UZGGOGMKGRPIKC-QGZVFWFLSA-N 1 0 467.530 -0.553 20 0 JBADRO CS(=O)(=O)N1CCN(CCNC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000594814382 1068039898 /nfs/dbraw/zinc/03/98/98/1068039898.db2.gz LIESSRGOHODWLV-FQEVSTJZSA-N 1 0 480.635 -0.240 20 0 JBADRO CS(=O)(=O)N1CCN(CCNC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000594814383 1068040163 /nfs/dbraw/zinc/04/01/63/1068040163.db2.gz LIESSRGOHODWLV-HXUWFJFHSA-N 1 0 480.635 -0.240 20 0 JBADRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000594874156 1068040055 /nfs/dbraw/zinc/04/00/55/1068040055.db2.gz JCHKNKSSHLWTNY-GDBMZVCRSA-N 1 0 471.967 -0.457 20 0 JBADRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CCN2C1=O ZINC000594874157 1068039695 /nfs/dbraw/zinc/03/96/95/1068039695.db2.gz JCHKNKSSHLWTNY-GOEBONIOSA-N 1 0 471.967 -0.457 20 0 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/nfs/dbraw/zinc/57/07/74/1068570774.db2.gz SOVOBJPJPJYHSS-FSVZYJJUSA-N 1 0 477.909 -0.650 20 0 JBADRO CN(C)[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1Cl ZINC001143624432 1068571493 /nfs/dbraw/zinc/57/14/93/1068571493.db2.gz SOVOBJPJPJYHSS-XADHBQNKSA-N 1 0 477.909 -0.650 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)Cc1cccc(F)c1Br ZINC001143759397 1068572119 /nfs/dbraw/zinc/57/21/19/1068572119.db2.gz PYJDUCVGXYAMDB-GBACBWQJSA-N 1 0 497.281 -0.462 20 0 JBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001143776897 1068572144 /nfs/dbraw/zinc/57/21/44/1068572144.db2.gz XZJXBYLRXATUQF-HNNXBMFYSA-N 1 0 451.549 -0.781 20 0 JBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001143776898 1068572101 /nfs/dbraw/zinc/57/21/01/1068572101.db2.gz XZJXBYLRXATUQF-OAHLLOKOSA-N 1 0 451.549 -0.781 20 0 JBADRO CCCC(=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144043609 1068574618 /nfs/dbraw/zinc/57/46/18/1068574618.db2.gz UGZAQYPLCNEJSF-AAEUAGOBSA-N 1 0 452.468 -0.954 20 0 JBADRO CCCC(=O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144043616 1068574349 /nfs/dbraw/zinc/57/43/49/1068574349.db2.gz UGZAQYPLCNEJSF-WCQYABFASA-N 1 0 452.468 -0.954 20 0 JBADRO CSCCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144059135 1068574634 /nfs/dbraw/zinc/57/46/34/1068574634.db2.gz RZGMUYIIGLCBLT-AAEUAGOBSA-N 1 0 456.525 -0.570 20 0 JBADRO CSCCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144059136 1068574590 /nfs/dbraw/zinc/57/45/90/1068574590.db2.gz RZGMUYIIGLCBLT-WCQYABFASA-N 1 0 456.525 -0.570 20 0 JBADRO CN(CC(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1)C(N)=[NH2+] ZINC001144130682 1068576038 /nfs/dbraw/zinc/57/60/38/1068576038.db2.gz OPXDMMHQKMCCQI-WCABBAIRSA-N 1 0 489.274 -0.560 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)CN(C)C(N)=[NH2+])CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001144132530 1068575400 /nfs/dbraw/zinc/57/54/00/1068575400.db2.gz VOULGCDWZIYOGC-HRAATJIYSA-N 1 0 470.640 -0.136 20 0 JBADRO CC(=O)O[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001144165455 1068576062 /nfs/dbraw/zinc/57/60/62/1068576062.db2.gz NQLXRESUKZSHTD-HJWJTTGWSA-N 1 0 455.556 -0.831 20 0 JBADRO CC(C)C[C@@H](O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001144181002 1068576109 /nfs/dbraw/zinc/57/61/09/1068576109.db2.gz PPVOUWFDWLEFFP-FJIDUMEYSA-N 1 0 455.600 -0.376 20 0 JBADRO CC(C)C[C@H](O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001144181003 1068575882 /nfs/dbraw/zinc/57/58/82/1068575882.db2.gz PPVOUWFDWLEFFP-XSLAGTTESA-N 1 0 455.600 -0.376 20 0 JBADRO CC(C)C[C@@H](O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144181299 1068575986 /nfs/dbraw/zinc/57/59/86/1068575986.db2.gz ASFXLAQEFXPENL-BFHYXJOUSA-N 1 0 468.511 -0.916 20 0 JBADRO CC(C)C[C@H](O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144181304 1068575851 /nfs/dbraw/zinc/57/58/51/1068575851.db2.gz ASFXLAQEFXPENL-IHRRRGAJSA-N 1 0 468.511 -0.916 20 0 JBADRO CC(C)C[C@H](O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144181307 1068576016 /nfs/dbraw/zinc/57/60/16/1068576016.db2.gz ASFXLAQEFXPENL-MELADBBJSA-N 1 0 468.511 -0.916 20 0 JBADRO CC(C)C[C@@H](O)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144181309 1068575716 /nfs/dbraw/zinc/57/57/16/1068575716.db2.gz ASFXLAQEFXPENL-MJBXVCDLSA-N 1 0 468.511 -0.916 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCC(=O)C1CC1)c(N)nc2=O ZINC001144229116 1068575897 /nfs/dbraw/zinc/57/58/97/1068575897.db2.gz MNVKCDLOCJOKQV-BBRMVZONSA-N 1 0 478.506 -0.564 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCC(=O)C1CC1)c(N)nc2=O ZINC001144229120 1068575819 /nfs/dbraw/zinc/57/58/19/1068575819.db2.gz MNVKCDLOCJOKQV-XJKSGUPXSA-N 1 0 478.506 -0.564 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CCC(=O)C1CC1)C(N)=O ZINC001144235324 1068576115 /nfs/dbraw/zinc/57/61/15/1068576115.db2.gz DRAVRFDXVUZPHP-ZWOKBUDYSA-N 1 0 465.595 -0.023 20 0 JBADRO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001144246824 1068576371 /nfs/dbraw/zinc/57/63/71/1068576371.db2.gz WBPHONMVWGGVGI-DLBZAZTESA-N 1 0 452.577 -0.088 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)Cc1ccccc1O)c(N)nc2=O ZINC001144270577 1068576833 /nfs/dbraw/zinc/57/68/33/1068576833.db2.gz XFCBBJTXHGXYBO-WMLDXEAASA-N 1 0 488.501 -0.375 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)Cc1ccccc1O)c(N)nc2=O ZINC001144270578 1068576506 /nfs/dbraw/zinc/57/65/06/1068576506.db2.gz XFCBBJTXHGXYBO-YOEHRIQHSA-N 1 0 488.501 -0.375 20 0 JBADRO CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC001144294369 1068576432 /nfs/dbraw/zinc/57/64/32/1068576432.db2.gz TUIMEYJVAGKFOM-UHFFFAOYSA-N 1 0 451.593 -0.093 20 0 JBADRO Cc1nc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cn1C ZINC001144294699 1068576742 /nfs/dbraw/zinc/57/67/42/1068576742.db2.gz ZATXPZDQXNMKHM-UHFFFAOYSA-N 1 0 454.597 -0.152 20 0 JBADRO CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001144326958 1068577371 /nfs/dbraw/zinc/57/73/71/1068577371.db2.gz CYTGGNIZQCBDLT-VJANTYMQSA-N 1 0 480.610 -0.772 20 0 JBADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]1CC(=O)NC(=O)N1)S(=O)(=O)c1ccc(C)cc1 ZINC001144338479 1068577462 /nfs/dbraw/zinc/57/74/62/1068577462.db2.gz DTIQVVVFTQZXFQ-GJZGRUSLSA-N 1 0 454.505 -0.219 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CC1CCC(O)CC1)c(N)nc2=O ZINC001144352651 1068577241 /nfs/dbraw/zinc/57/72/41/1068577241.db2.gz UZFFNQUDLFKOBR-NDTCATRNSA-N 1 0 494.549 -0.382 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CC1CCC(O)CC1)c(N)nc2=O ZINC001144352652 1068577942 /nfs/dbraw/zinc/57/79/42/1068577942.db2.gz UZFFNQUDLFKOBR-UMPYDWHISA-N 1 0 494.549 -0.382 20 0 JBADRO CC(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)C(C)C ZINC001144370726 1068578027 /nfs/dbraw/zinc/57/80/27/1068578027.db2.gz LEKJIKYJQNDMCY-CADBVGFASA-N 1 0 482.626 -0.622 20 0 JBADRO CC(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)C(C)C ZINC001144370727 1068577775 /nfs/dbraw/zinc/57/77/75/1068577775.db2.gz LEKJIKYJQNDMCY-VJANTYMQSA-N 1 0 482.626 -0.622 20 0 JBADRO COC(=O)C[C@H](C)CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144382539 1068577868 /nfs/dbraw/zinc/57/78/68/1068577868.db2.gz AMSLBEHEFWAKEK-DVOMOZLQSA-N 1 0 496.521 -0.734 20 0 JBADRO COC(=O)C[C@@H](C)CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144382544 1068577903 /nfs/dbraw/zinc/57/79/03/1068577903.db2.gz AMSLBEHEFWAKEK-HEHGZKQESA-N 1 0 496.521 -0.734 20 0 JBADRO COC(=O)C[C@H](C)CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144382546 1068578459 /nfs/dbraw/zinc/57/84/59/1068578459.db2.gz AMSLBEHEFWAKEK-WWGRRREGSA-N 1 0 496.521 -0.734 20 0 JBADRO COC(=O)C[C@@H](C)CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144382548 1068578513 /nfs/dbraw/zinc/57/85/13/1068578513.db2.gz AMSLBEHEFWAKEK-XEZPLFJOSA-N 1 0 496.521 -0.734 20 0 JBADRO COC(=O)C[C@@H](C)CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001144389396 1068577754 /nfs/dbraw/zinc/57/77/54/1068577754.db2.gz LQJMPXLIRLUXRH-BOSXTWCSSA-N 1 0 483.610 -0.193 20 0 JBADRO COC(=O)C[C@H](C)CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001144389397 1068578014 /nfs/dbraw/zinc/57/80/14/1068578014.db2.gz LQJMPXLIRLUXRH-YLAKUSLOSA-N 1 0 483.610 -0.193 20 0 JBADRO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001144700387 1068580167 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YLSBAHOFQAIPAY-SLFFLAALSA-N 1 0 463.531 -0.640 20 0 JBADRO O=C(Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144908026 1068589800 /nfs/dbraw/zinc/58/98/00/1068589800.db2.gz YLSBAHOFQAIPAY-VAMGGRTRSA-N 1 0 463.531 -0.640 20 0 JBADRO O=C(Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144908027 1068590069 /nfs/dbraw/zinc/59/00/69/1068590069.db2.gz YLSBAHOFQAIPAY-XUVXKRRUSA-N 1 0 463.531 -0.640 20 0 JBADRO O=C(C(=O)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144908204 1068589859 /nfs/dbraw/zinc/58/98/59/1068589859.db2.gz ZOXMXNHMSOWTPQ-BAGYTPMASA-N 1 0 454.523 -0.046 20 0 JBADRO O=C(C(=O)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144908205 1068590033 /nfs/dbraw/zinc/59/00/33/1068590033.db2.gz ZOXMXNHMSOWTPQ-CEMLEFRQSA-N 1 0 454.523 -0.046 20 0 JBADRO O=C(C(=O)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144908206 1068590137 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GHTGZMUQNRVADE-JENIJYKNSA-N 1 0 488.589 -0.404 20 0 JBADRO Cc1cccc(CN2C(=O)COC3(CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC3)[C@H]2C)n1 ZINC001158347132 1069305046 /nfs/dbraw/zinc/30/50/46/1069305046.db2.gz GHTGZMUQNRVADE-YQVWRLOYSA-N 1 0 488.589 -0.404 20 0 JBADRO Cc1cccc(CN2C(=O)COC3(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC3)[C@@H]2C)n1 ZINC001158347367 1069305032 /nfs/dbraw/zinc/30/50/32/1069305032.db2.gz JABRXHSSJRKMQR-KRWDZBQOSA-N 1 0 467.592 -0.281 20 0 JBADRO Cc1cccc(CN2C(=O)COC3(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC3)[C@H]2C)n1 ZINC001158347368 1069304867 /nfs/dbraw/zinc/30/48/67/1069304867.db2.gz JABRXHSSJRKMQR-QGZVFWFLSA-N 1 0 467.592 -0.281 20 0 JBADRO Cc1nc2c([nH]1)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2 ZINC001158347555 1069304765 /nfs/dbraw/zinc/30/47/65/1069304765.db2.gz KWNCRFZCAMQXGD-UVIMBBFXSA-N 1 0 452.531 -0.453 20 0 JBADRO O=C([C@H]1C[NH2+]CC[C@@H]1O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351570 1069304902 /nfs/dbraw/zinc/30/49/02/1069304902.db2.gz AKBMAKXSLKKUBK-KGYLXKDPSA-N 1 0 458.563 -0.649 20 0 JBADRO O=C([C@@H]1C[NH2+]CC[C@H]1O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351574 1069304720 /nfs/dbraw/zinc/30/47/20/1069304720.db2.gz AKBMAKXSLKKUBK-LVBDUCALSA-N 1 0 458.563 -0.649 20 0 JBADRO O=C([C@H]1C[NH2+]CC[C@H]1O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351576 1069305651 /nfs/dbraw/zinc/30/56/51/1069305651.db2.gz AKBMAKXSLKKUBK-XWQURZDVSA-N 1 0 458.563 -0.649 20 0 JBADRO O=C([C@@H]1C[NH2+]CC[C@@H]1O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351579 1069305755 /nfs/dbraw/zinc/30/57/55/1069305755.db2.gz AKBMAKXSLKKUBK-YWNPBTLJSA-N 1 0 458.563 -0.649 20 0 JBADRO CCOC(=O)C1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C[NH2+]C1 ZINC001158351590 1069305668 /nfs/dbraw/zinc/30/56/68/1069305668.db2.gz APXLZGWIQYVAGY-MBSDFSHPSA-N 1 0 486.573 -0.467 20 0 JBADRO [NH3+][C@@H](Cn1cccn1)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351654 1069305621 /nfs/dbraw/zinc/30/56/21/1069305621.db2.gz BHWTWLMODWFBRO-YDHSSHFGSA-N 1 0 468.562 -0.396 20 0 JBADRO O=C(c1ncn2c1C[NH2+]CC2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351676 1069305476 /nfs/dbraw/zinc/30/54/76/1069305476.db2.gz BMGJPKMTZIIPIV-UUOWRZLLSA-N 1 0 480.573 -0.006 20 0 JBADRO [NH3+][C@H]1CCCCN(CC(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)C1=O ZINC001158351698 1069305500 /nfs/dbraw/zinc/30/55/00/1069305500.db2.gz CEKZHRFCPFGDIM-RLSLOFABSA-N 1 0 499.616 -0.280 20 0 JBADRO NC1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001158351709 1069305821 /nfs/dbraw/zinc/30/58/21/1069305821.db2.gz CNSKDQURGUDRFP-AVRDEDQJSA-N 1 0 457.579 -0.539 20 0 JBADRO NC(=O)NCCC[C@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351714 1069305727 /nfs/dbraw/zinc/30/57/27/1069305727.db2.gz CSUZFEFQHVESBH-BSRJHKFKSA-N 1 0 488.593 -0.844 20 0 JBADRO NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351715 1069305442 /nfs/dbraw/zinc/30/54/42/1069305442.db2.gz CSUZFEFQHVESBH-IXFSTUDKSA-N 1 0 488.593 -0.844 20 0 JBADRO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)CCC2 ZINC001158351838 1069305609 /nfs/dbraw/zinc/30/56/09/1069305609.db2.gz DIXCMGMTYJBFPY-WJNSRDFLSA-N 1 0 470.574 -0.384 20 0 JBADRO O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351843 1069305793 /nfs/dbraw/zinc/30/57/93/1069305793.db2.gz DRVLTHQOBUBWBQ-MAEPKYQWSA-N 1 0 470.574 -0.243 20 0 JBADRO C[C@@]1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)CC[NH2+]C[C@H]1O ZINC001158351868 1069305807 /nfs/dbraw/zinc/30/58/07/1069305807.db2.gz FPFDBPFWJPPGNT-LUZMIZLMSA-N 1 0 472.590 -0.259 20 0 JBADRO C[C@]1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)CC[NH2+]C[C@H]1O ZINC001158351869 1069305538 /nfs/dbraw/zinc/30/55/38/1069305538.db2.gz FPFDBPFWJPPGNT-PLWWPAAYSA-N 1 0 472.590 -0.259 20 0 JBADRO C[C@@]1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)CC[NH2+]C[C@@H]1O ZINC001158351870 1069305587 /nfs/dbraw/zinc/30/55/87/1069305587.db2.gz FPFDBPFWJPPGNT-TWXAQOBRSA-N 1 0 472.590 -0.259 20 0 JBADRO C[C@]1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)CC[NH2+]C[C@@H]1O ZINC001158351871 1069306234 /nfs/dbraw/zinc/30/62/34/1069306234.db2.gz FPFDBPFWJPPGNT-WJNSRDFLSA-N 1 0 472.590 -0.259 20 0 JBADRO O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352075 1069306184 /nfs/dbraw/zinc/30/61/84/1069306184.db2.gz JFKFPTBYOHRPLL-IEXUWNMDSA-N 1 0 472.590 -0.115 20 0 JBADRO O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352076 1069305988 /nfs/dbraw/zinc/30/59/88/1069305988.db2.gz JFKFPTBYOHRPLL-IGKWTDBASA-N 1 0 472.590 -0.115 20 0 JBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352089 1069306488 /nfs/dbraw/zinc/30/64/88/1069306488.db2.gz JUZUATSNKOZHKH-JXQFQVJHSA-N 1 0 485.589 -0.751 20 0 JBADRO CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352116 1069306131 /nfs/dbraw/zinc/30/61/31/1069306131.db2.gz KOVJVHXERAGMKI-YDHSSHFGSA-N 1 0 457.579 -0.716 20 0 JBADRO CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352117 1069306502 /nfs/dbraw/zinc/30/65/02/1069306502.db2.gz KOVJVHXERAGMKI-YYDVJCTNSA-N 1 0 457.579 -0.716 20 0 JBADRO O=C(CNC1CC[NH2+]CC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352118 1069306077 /nfs/dbraw/zinc/30/60/77/1069306077.db2.gz KOYPCLBLCYKSKI-CYFREDJKSA-N 1 0 471.606 -0.278 20 0 JBADRO O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352225 1069306351 /nfs/dbraw/zinc/30/63/51/1069306351.db2.gz KUGXIFGWCQGDCS-YDHSSHFGSA-N 1 0 458.563 -0.241 20 0 JBADRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352226 1069306459 /nfs/dbraw/zinc/30/64/59/1069306459.db2.gz KUGXIFGWCQGDCS-YYDVJCTNSA-N 1 0 458.563 -0.241 20 0 JBADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352228 1069306289 /nfs/dbraw/zinc/30/62/89/1069306289.db2.gz KYMVJROFJLUOHC-BSRJHKFKSA-N 1 0 474.562 -0.339 20 0 JBADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352229 1069306103 /nfs/dbraw/zinc/30/61/03/1069306103.db2.gz KYMVJROFJLUOHC-IXFSTUDKSA-N 1 0 474.562 -0.339 20 0 JBADRO O=C([C@H]1C[NH2+]CCC1=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352230 1069306048 /nfs/dbraw/zinc/30/60/48/1069306048.db2.gz KZPMEBPVFSURTP-BSRJHKFKSA-N 1 0 456.547 -0.441 20 0 JBADRO O=C([C@@H]1C[NH2+]CCC1=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352231 1069306327 /nfs/dbraw/zinc/30/63/27/1069306327.db2.gz KZPMEBPVFSURTP-IXFSTUDKSA-N 1 0 456.547 -0.441 20 0 JBADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352232 1069306416 /nfs/dbraw/zinc/30/64/16/1069306416.db2.gz KZXLQFQJJWNIQQ-GBWYYYKWSA-N 1 0 499.616 -0.281 20 0 JBADRO O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352260 1069307020 /nfs/dbraw/zinc/30/70/20/1069307020.db2.gz MQVOLJPDLUXYHH-RLSLOFABSA-N 1 0 494.600 -0.004 20 0 JBADRO O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352261 1069306810 /nfs/dbraw/zinc/30/68/10/1069306810.db2.gz MQVOLJPDLUXYHH-RNHFSVANSA-N 1 0 494.600 -0.004 20 0 JBADRO O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352284 1069307043 /nfs/dbraw/zinc/30/70/43/1069307043.db2.gz NLECPEMSJIRKEN-YDHSSHFGSA-N 1 0 458.563 -0.241 20 0 JBADRO NC(=O)CC[C@H]([NH3+])CC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352296 1069306867 /nfs/dbraw/zinc/30/68/67/1069306867.db2.gz NXWPFFPHGMYDOS-BSRJHKFKSA-N 1 0 473.578 -0.637 20 0 JBADRO O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)[C@@]13C[NH2+][C@@H](CO1)C3)CCC2 ZINC001158352450 1069306925 /nfs/dbraw/zinc/30/69/25/1069306925.db2.gz PRXIVLCWOVPMCJ-OVNVTHAWSA-N 1 0 456.547 -0.489 20 0 JBADRO O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352477 1069306783 /nfs/dbraw/zinc/30/67/83/1069306783.db2.gz QXLOSIXBPVGQMA-GLYQVZKVSA-N 1 0 483.573 -0.111 20 0 JBADRO O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352478 1069307076 /nfs/dbraw/zinc/30/70/76/1069307076.db2.gz QXLOSIXBPVGQMA-NWVWQQAFSA-N 1 0 483.573 -0.111 20 0 JBADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352480 1069306738 /nfs/dbraw/zinc/30/67/38/1069306738.db2.gz RARZAFSUODRZEF-SPEDKVCISA-N 1 0 460.535 -0.729 20 0 JBADRO O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352506 1069306893 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O=C(COCc1nnn2c1CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CCC2)N1CCCC1 ZINC001158630661 1069310872 /nfs/dbraw/zinc/31/08/72/1069310872.db2.gz ULAGQMSBJUOONS-MRXNPFEDSA-N 1 0 459.551 -0.735 20 0 JBADRO O=C(COCc1nnn2c1CN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)CCC2)N1CCCC1 ZINC001158630672 1069310839 /nfs/dbraw/zinc/31/08/39/1069310839.db2.gz UWEUZSLDPLVMIX-KRWDZBQOSA-N 1 0 483.577 -0.308 20 0 JBADRO O=C(COCc1nnn2c1CN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)CCC2)N1CCCC1 ZINC001158630673 1069310993 /nfs/dbraw/zinc/31/09/93/1069310993.db2.gz UWEUZSLDPLVMIX-QGZVFWFLSA-N 1 0 483.577 -0.308 20 0 JBADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630679 1069311011 /nfs/dbraw/zinc/31/10/11/1069311011.db2.gz VCTDGSMHGYCQPR-IBGZPJMESA-N 1 0 483.573 -0.164 20 0 JBADRO O=C(COCc1nnn2c1CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CCC2)N1CCCC1 ZINC001158630707 1069311263 /nfs/dbraw/zinc/31/12/63/1069311263.db2.gz WEAHASFVYQULNB-KRWDZBQOSA-N 1 0 494.618 -0.436 20 0 JBADRO O=C(COCc1nnn2c1CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CCC2)N1CCCC1 ZINC001158630708 1069310854 /nfs/dbraw/zinc/31/08/54/1069310854.db2.gz WEAHASFVYQULNB-QGZVFWFLSA-N 1 0 494.618 -0.436 20 0 JBADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630909 1069311612 /nfs/dbraw/zinc/31/16/12/1069311612.db2.gz ZUPCJHAEQIQYPU-IBGZPJMESA-N 1 0 483.573 -0.164 20 0 JBADRO COC(=O)c1cnc(N2CC[C@@]3(C(=O)OC)CC[NH2+][C@H]3C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001158642567 1069311901 /nfs/dbraw/zinc/31/19/01/1069311901.db2.gz NLIRVFYWTCRKKY-JXFKEZNVSA-N 1 0 468.532 -0.380 20 0 JBADRO COC(=O)c1cnc(N2CC[C@]3(C(=O)OC)CC[NH2+][C@H]3C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001158642568 1069311506 /nfs/dbraw/zinc/31/15/06/1069311506.db2.gz NLIRVFYWTCRKKY-OXJNMPFZSA-N 1 0 468.532 -0.380 20 0 JBADRO COC(=O)c1cnc(N2CC[C@]3(C(=O)OC)CC[NH2+][C@@H]3C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001158642569 1069311776 /nfs/dbraw/zinc/31/17/76/1069311776.db2.gz NLIRVFYWTCRKKY-OXQOHEQNSA-N 1 0 468.532 -0.380 20 0 JBADRO COC(=O)c1cnc(N2CC[C@@]3(C(=O)OC)CC[NH2+][C@@H]3C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001158642570 1069311763 /nfs/dbraw/zinc/31/17/63/1069311763.db2.gz NLIRVFYWTCRKKY-UZLBHIALSA-N 1 0 468.532 -0.380 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C3)nn1 ZINC001158644708 1069311733 /nfs/dbraw/zinc/31/17/33/1069311733.db2.gz BEXGSHOOAVGALB-APWZRJJASA-N 1 0 456.569 -0.949 20 0 JBADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C3)nn1 ZINC001158644709 1069311813 /nfs/dbraw/zinc/31/18/13/1069311813.db2.gz BEXGSHOOAVGALB-LPHOPBHVSA-N 1 0 456.569 -0.949 20 0 JBADRO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C3)nn1 ZINC001158644711 1069311670 /nfs/dbraw/zinc/31/16/70/1069311670.db2.gz BEXGSHOOAVGALB-QFBILLFUSA-N 1 0 456.569 -0.949 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C3)nn1 ZINC001158644713 1069311802 /nfs/dbraw/zinc/31/18/02/1069311802.db2.gz BEXGSHOOAVGALB-VQIMIIECSA-N 1 0 456.569 -0.949 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]2CNC(=O)C24CC[NH2+]CC4)C3)nn1 ZINC001158645729 1069311750 /nfs/dbraw/zinc/31/17/50/1069311750.db2.gz HBBDXPKJWUNADR-FGSXEWAUSA-N 1 0 458.563 -0.053 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@H]2CNC(=O)C24CC[NH2+]CC4)C3)nn1 ZINC001158645730 1069311689 /nfs/dbraw/zinc/31/16/89/1069311689.db2.gz HBBDXPKJWUNADR-HMFYCAOWSA-N 1 0 458.563 -0.053 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H]2CNC(=O)C24CC[NH2+]CC4)C3)nn1 ZINC001158645731 1069311852 /nfs/dbraw/zinc/31/18/52/1069311852.db2.gz HBBDXPKJWUNADR-JBYIUTFZSA-N 1 0 458.563 -0.053 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]2CNC(=O)C24CC[NH2+]CC4)C3)nn1 ZINC001158645732 1069311788 /nfs/dbraw/zinc/31/17/88/1069311788.db2.gz HBBDXPKJWUNADR-KGVIQGDOSA-N 1 0 458.563 -0.053 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]2CCS(=O)(=O)C24C[NH2+]C4)C3)nn1 ZINC001158648694 1069311466 /nfs/dbraw/zinc/31/14/66/1069311466.db2.gz UOLFCFLKGBDJIG-FUHIMQAGSA-N 1 0 465.576 -0.392 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@H]2CCS(=O)(=O)C24C[NH2+]C4)C3)nn1 ZINC001158648705 1069311873 /nfs/dbraw/zinc/31/18/73/1069311873.db2.gz UOLFCFLKGBDJIG-HLIPFELVSA-N 1 0 465.576 -0.392 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H]2CCS(=O)(=O)C24C[NH2+]C4)C3)nn1 ZINC001158648707 1069311577 /nfs/dbraw/zinc/31/15/77/1069311577.db2.gz UOLFCFLKGBDJIG-MBOZVWFJSA-N 1 0 465.576 -0.392 20 0 JBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]2CCS(=O)(=O)C24C[NH2+]C4)C3)nn1 ZINC001158648709 1069312251 /nfs/dbraw/zinc/31/22/51/1069312251.db2.gz UOLFCFLKGBDJIG-UWVAXJGDSA-N 1 0 465.576 -0.392 20 0 JBADRO NC(=[NH2+])NCCCCC(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680263 1069312525 /nfs/dbraw/zinc/31/25/25/1069312525.db2.gz ARKCQIJXYYVORQ-LSDHHAIUSA-N 1 0 451.553 -0.811 20 0 JBADRO O=C(COC1CC[NH2+]CC1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680330 1069312147 /nfs/dbraw/zinc/31/21/47/1069312147.db2.gz DQNOHKZHVGUEEL-DLBZAZTESA-N 1 0 451.549 -0.695 20 0 JBADRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680344 1069312343 /nfs/dbraw/zinc/31/23/43/1069312343.db2.gz DUJOBUSJGCAXRZ-YESZJQIVSA-N 1 0 480.591 -0.974 20 0 JBADRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680353 1069312058 /nfs/dbraw/zinc/31/20/58/1069312058.db2.gz DVFMLMFTMJZUDP-YESZJQIVSA-N 1 0 495.602 -0.144 20 0 JBADRO [NH3+][C@H](C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)C1CCOCC1 ZINC001158680776 1069312433 /nfs/dbraw/zinc/31/24/33/1069312433.db2.gz FVJXTSXRZFFVBE-BBWFWOEESA-N 1 0 451.549 -0.710 20 0 JBADRO O=C(C[C@H]1CC[NH2+]C[C@@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680788 1069312541 /nfs/dbraw/zinc/31/25/41/1069312541.db2.gz GFPGCUQBPBRKEH-BSWAZPDLSA-N 1 0 453.540 -0.126 20 0 JBADRO O=C(C[C@@H]1CC[NH2+]C[C@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680789 1069312402 /nfs/dbraw/zinc/31/24/02/1069312402.db2.gz GFPGCUQBPBRKEH-QMCVQRASSA-N 1 0 453.540 -0.126 20 0 JBADRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680790 1069312375 /nfs/dbraw/zinc/31/23/75/1069312375.db2.gz GFPGCUQBPBRKEH-QSPRXWTASA-N 1 0 453.540 -0.126 20 0 JBADRO O=C(C[C@H]1CC[NH2+]C[C@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680791 1069312567 /nfs/dbraw/zinc/31/25/67/1069312567.db2.gz GFPGCUQBPBRKEH-XLNGHYISSA-N 1 0 453.540 -0.126 20 0 JBADRO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680792 1069312467 /nfs/dbraw/zinc/31/24/67/1069312467.db2.gz GHDFJVYCMVYAKC-KTQBOKQISA-N 1 0 463.560 -0.697 20 0 JBADRO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680808 1069312880 /nfs/dbraw/zinc/31/28/80/1069312880.db2.gz GTYXZOGCIROHMU-GVDBMIGSSA-N 1 0 495.602 -0.015 20 0 JBADRO O=C([C@H]1CC[C@@]2(C1)C[NH2+]CCO2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681096 1069312780 /nfs/dbraw/zinc/31/27/80/1069312780.db2.gz JPOIXGYYYMIALK-CTWQGKMFSA-N 1 0 477.587 -0.305 20 0 JBADRO O=C([C@H]1CC[C@]2(C1)C[NH2+]CCO2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681097 1069313166 /nfs/dbraw/zinc/31/31/66/1069313166.db2.gz JPOIXGYYYMIALK-FCQWJQKHSA-N 1 0 477.587 -0.305 20 0 JBADRO O=C([C@@H]1CC[C@@]2(C1)C[NH2+]CCO2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681098 1069312983 /nfs/dbraw/zinc/31/29/83/1069312983.db2.gz JPOIXGYYYMIALK-OQYZPLRDSA-N 1 0 477.587 -0.305 20 0 JBADRO O=C([C@@H]1CC[C@]2(C1)C[NH2+]CCO2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681099 1069313207 /nfs/dbraw/zinc/31/32/07/1069313207.db2.gz JPOIXGYYYMIALK-WHEACTPUSA-N 1 0 477.587 -0.305 20 0 JBADRO O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681103 1069313139 /nfs/dbraw/zinc/31/31/39/1069313139.db2.gz JRYMWHAQMMVFAU-FHLIZLRMSA-N 1 0 473.559 -0.848 20 0 JBADRO O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681104 1069313043 /nfs/dbraw/zinc/31/30/43/1069313043.db2.gz JRYMWHAQMMVFAU-JCGIZDLHSA-N 1 0 473.559 -0.848 20 0 JBADRO [NH3+]C1(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CCC2(CC1)OCCO2 ZINC001158681108 1069312816 /nfs/dbraw/zinc/31/28/16/1069312816.db2.gz JXSUVGBXKODNOT-DLBZAZTESA-N 1 0 493.586 -0.449 20 0 JBADRO CO[C@H]([C@@H](C)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC001158681215 1069313626 /nfs/dbraw/zinc/31/36/26/1069313626.db2.gz MMJRSDHOWSOQSW-GIYWUFHFSA-N 1 0 479.603 -0.061 20 0 JBADRO O=C([C@@H]1C[NH2+]CC12CCOCC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681253 1069313774 /nfs/dbraw/zinc/31/37/74/1069313774.db2.gz MSKZNDWUCQQJBP-OKZBNKHCSA-N 1 0 477.587 -0.448 20 0 JBADRO O=C([C@H]1C[NH2+]CC12CCOCC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681299 1069313500 /nfs/dbraw/zinc/31/35/00/1069313500.db2.gz MSKZNDWUCQQJBP-RCCFBDPRSA-N 1 0 477.587 -0.448 20 0 JBADRO O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681309 1069313514 /nfs/dbraw/zinc/31/35/14/1069313514.db2.gz MUYPMIBWZLZYPV-NBQZKYEYSA-N 1 0 462.532 -0.956 20 0 JBADRO O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681315 1069313612 /nfs/dbraw/zinc/31/36/12/1069313612.db2.gz MUYPMIBWZLZYPV-YYFZDKIDSA-N 1 0 462.532 -0.956 20 0 JBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681405 1069313550 /nfs/dbraw/zinc/31/35/50/1069313550.db2.gz NLLRQXFNKQVBGQ-YESZJQIVSA-N 1 0 480.591 -0.974 20 0 JBADRO [NH3+][C@@H](Cc1cccc(O)c1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681438 1069313695 /nfs/dbraw/zinc/31/36/95/1069313695.db2.gz NTLDRBKZBSHPTK-GBESFXJTSA-N 1 0 473.555 -0.188 20 0 JBADRO [NH3+][C@H](Cc1cccc(O)c1)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681442 1069313573 /nfs/dbraw/zinc/31/35/73/1069313573.db2.gz NTLDRBKZBSHPTK-IPMKNSEASA-N 1 0 473.555 -0.188 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158681446 1069313790 /nfs/dbraw/zinc/31/37/90/1069313790.db2.gz NTUMCVFTFXWYOM-VZLDODMLSA-N 1 0 459.547 -0.189 20 0 JBADRO O=C([C@H]1CCSC12C[NH2+]C2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681517 1069313758 /nfs/dbraw/zinc/31/37/58/1069313758.db2.gz OKVFHSIVMIQLIY-ARFHVFGLSA-N 1 0 465.601 -0.369 20 0 JBADRO O=C([C@@H]1CCSC12C[NH2+]C2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681518 1069313469 /nfs/dbraw/zinc/31/34/69/1069313469.db2.gz OKVFHSIVMIQLIY-HRCADAONSA-N 1 0 465.601 -0.369 20 0 JBADRO O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681522 1069313733 /nfs/dbraw/zinc/31/37/33/1069313733.db2.gz 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O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692159 1069315054 /nfs/dbraw/zinc/31/50/54/1069315054.db2.gz CHTDUYVPZCBRQD-LNSZTPPCSA-N 1 0 463.560 -0.840 20 0 JBADRO O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692162 1069314823 /nfs/dbraw/zinc/31/48/23/1069314823.db2.gz CHTDUYVPZCBRQD-WIMVFMHDSA-N 1 0 463.560 -0.840 20 0 JBADRO O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692164 1069314574 /nfs/dbraw/zinc/31/45/74/1069314574.db2.gz CHTDUYVPZCBRQD-YRHQEJDOSA-N 1 0 463.560 -0.840 20 0 JBADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692195 1069314875 /nfs/dbraw/zinc/31/48/75/1069314875.db2.gz DGMZUGHCKPYETC-SCNOPHJPSA-N 1 0 480.591 -0.974 20 0 JBADRO O=C(c1nc2c(s1)C[NH2+]CC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692467 1069314840 /nfs/dbraw/zinc/31/48/40/1069314840.db2.gz FPHCRTXGPJCTML-XJKSGUPXSA-N 1 0 476.584 -0.048 20 0 JBADRO O=C(C[C@@H]1C[NH2+]CC1(F)F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692540 1069314616 /nfs/dbraw/zinc/31/46/16/1069314616.db2.gz GOWNZWOQXDBCOK-QLFBSQMISA-N 1 0 457.503 -0.219 20 0 JBADRO O=C(C[C@H]1C[NH2+]CC1(F)F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692541 1069314900 /nfs/dbraw/zinc/31/49/00/1069314900.db2.gz GOWNZWOQXDBCOK-SOUVJXGZSA-N 1 0 457.503 -0.219 20 0 JBADRO O=C(c1n[nH]c2c1CC[NH2+]C2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692913 1069314726 /nfs/dbraw/zinc/31/47/26/1069314726.db2.gz JUICBJLKTAGUPH-GOEBONIOSA-N 1 0 459.532 -0.781 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692984 1069314595 /nfs/dbraw/zinc/31/45/95/1069314595.db2.gz KKQNNCGVMBFYOX-OKZBNKHCSA-N 1 0 480.591 -0.830 20 0 JBADRO CO[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001158692989 1069314637 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O=C(c1cccnc1N1CC[NH2+]CC1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158693416 1069315495 /nfs/dbraw/zinc/31/54/95/1069315495.db2.gz NEJMPOKZICHBFZ-RBUKOAKNSA-N 1 0 499.597 -0.346 20 0 JBADRO O=C(c1cnc2n1CC[NH2+]CC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158693520 1069315674 /nfs/dbraw/zinc/31/56/74/1069315674.db2.gz PDVAUMIPIUUKJZ-DOTOQJQBSA-N 1 0 473.559 -0.808 20 0 JBADRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694028 1069315564 /nfs/dbraw/zinc/31/55/64/1069315564.db2.gz QSQQPOCPXIVFIH-GOEBONIOSA-N 1 0 459.532 -0.781 20 0 JBADRO N[C@@H](C[NH3+])c1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC001158694117 1069315612 /nfs/dbraw/zinc/31/56/12/1069315612.db2.gz RRCJVNAFBYFSPA-GBESFXJTSA-N 1 0 472.571 -0.192 20 0 JBADRO N[C@H](C[NH3+])c1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC001158694124 1069315203 /nfs/dbraw/zinc/31/52/03/1069315203.db2.gz RRCJVNAFBYFSPA-IPMKNSEASA-N 1 0 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C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)COC1(C)C ZINC001158813181 1069317580 /nfs/dbraw/zinc/31/75/80/1069317580.db2.gz AVEJMGRWYLIDMU-BHNDVYRESA-N 1 0 459.547 -0.128 20 0 JBADRO O=C(NCc1cccnc1)[C@@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@H]2OCC[C@H]21 ZINC001158813662 1069317336 /nfs/dbraw/zinc/31/73/36/1069317336.db2.gz DIOBFNHGULHVEE-WJFTUGDTSA-N 1 0 466.546 -0.501 20 0 JBADRO O=C(NCc1cccnc1)[C@@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@H]2OCC[C@H]21 ZINC001158813663 1069317639 /nfs/dbraw/zinc/31/76/39/1069317639.db2.gz DIOBFNHGULHVEE-ZSYWTGECSA-N 1 0 466.546 -0.501 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158813680 1069317546 /nfs/dbraw/zinc/31/75/46/1069317546.db2.gz DYDHDXOPAAXXSA-MVBLQPKNSA-N 1 0 486.573 -0.984 20 0 JBADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)CC2 ZINC001158813701 1069318107 /nfs/dbraw/zinc/31/81/07/1069318107.db2.gz FVAGHVHIFXHBEI-CRAIPNDOSA-N 1 0 458.519 -0.084 20 0 JBADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)CC2 ZINC001158813702 1069318156 /nfs/dbraw/zinc/31/81/56/1069318156.db2.gz FVAGHVHIFXHBEI-MAUKXSAKSA-N 1 0 458.519 -0.084 20 0 JBADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)CC2 ZINC001158813703 1069318037 /nfs/dbraw/zinc/31/80/37/1069318037.db2.gz FVAGHVHIFXHBEI-QAPCUYQASA-N 1 0 458.519 -0.084 20 0 JBADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)CC2 ZINC001158813704 1069317907 /nfs/dbraw/zinc/31/79/07/1069317907.db2.gz FVAGHVHIFXHBEI-YJBOKZPZSA-N 1 0 458.519 -0.084 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158813949 1069317883 /nfs/dbraw/zinc/31/78/83/1069317883.db2.gz JVKOIPGBPCQGQD-ZSYWTGECSA-N 1 0 461.563 -0.180 20 0 JBADRO O=C(NCc1cccnc1)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@H]2OCC[C@H]21 ZINC001158814127 1069318018 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[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821566 1069317977 /nfs/dbraw/zinc/31/79/77/1069317977.db2.gz MUAGWQOJJIARLX-HKUYNNGSSA-N 1 0 454.487 -0.443 20 0 JBADRO [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821945 1069317834 /nfs/dbraw/zinc/31/78/34/1069317834.db2.gz QSFISXHELOWSGB-GOSISDBHSA-N 1 0 473.603 -0.171 20 0 JBADRO [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158822082 1069318070 /nfs/dbraw/zinc/31/80/70/1069318070.db2.gz SYMSUVVSZVAYQR-KRWDZBQOSA-N 1 0 456.551 -0.225 20 0 JBADRO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1)[C@@H]1CCC[NH2+]1 ZINC001158822373 1069317932 /nfs/dbraw/zinc/31/79/32/1069317932.db2.gz VCVPVEXSOCIUPQ-PMACEKPBSA-N 1 0 467.574 -0.068 20 0 JBADRO CCN1CC2(CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC2)COc2ccccc2S1(=O)=O ZINC001158830838 1069317949 /nfs/dbraw/zinc/31/79/49/1069317949.db2.gz DYYPGNRHAFSKDF-HOTGVXAUSA-N 1 0 468.576 -0.477 20 0 JBADRO 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20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158871582 1069319246 /nfs/dbraw/zinc/31/92/46/1069319246.db2.gz PSTGKEQXJUHCLA-OALUTQOASA-N 1 0 495.540 -0.611 20 0 JBADRO CC(C)N(C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158882858 1069319149 /nfs/dbraw/zinc/31/91/49/1069319149.db2.gz CMLTTXRWXABSCE-OHDICMOHSA-N 1 0 460.579 -0.126 20 0 JBADRO CC(C)N(C(=O)[C@@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158882860 1069319132 /nfs/dbraw/zinc/31/91/32/1069319132.db2.gz CMLTTXRWXABSCE-OSGQAZFXSA-N 1 0 460.579 -0.126 20 0 JBADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158884031 1069319100 /nfs/dbraw/zinc/31/91/00/1069319100.db2.gz KCOSIWKNHLMWPI-AEFFLSMTSA-N 1 0 479.603 -0.053 20 0 JBADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001158884035 1069319352 /nfs/dbraw/zinc/31/93/52/1069319352.db2.gz 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DCODAVRJZYOWET-VDHUWJSZSA-N 1 0 452.519 -0.036 20 0 JBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158925924 1069320460 /nfs/dbraw/zinc/32/04/60/1069320460.db2.gz OHZQIBYUADYVSG-BGTYHANMSA-N 1 0 461.542 -0.394 20 0 JBADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158925925 1069320956 /nfs/dbraw/zinc/32/09/56/1069320956.db2.gz OHZQIBYUADYVSG-NRSFXHEJSA-N 1 0 461.542 -0.394 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158925930 1069320549 /nfs/dbraw/zinc/32/05/49/1069320549.db2.gz OLYKKWXIQOLJGW-YSHGAJCASA-N 1 0 476.553 -0.005 20 0 JBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCC(F)CC4)[C@@H]3C2)COC1(C)C ZINC001158935008 1069320516 /nfs/dbraw/zinc/32/05/16/1069320516.db2.gz NBNMJJHBZTWRFX-QYKUSJBESA-N 1 0 454.543 -0.021 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158935536 1069320790 /nfs/dbraw/zinc/32/07/90/1069320790.db2.gz VMDWCRJAOCTTMP-BGTYHANMSA-N 1 0 456.559 -0.074 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158935680 1069320721 /nfs/dbraw/zinc/32/07/21/1069320721.db2.gz ZCICWDBALGWALO-XJWCYLOLSA-N 1 0 481.569 -0.878 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158943651 1069322127 /nfs/dbraw/zinc/32/21/27/1069322127.db2.gz XQBOMGAXSPFJKO-UWHLTILDSA-N 1 0 467.526 -0.464 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158943653 1069322073 /nfs/dbraw/zinc/32/20/73/1069322073.db2.gz XQBOMGAXSPFJKO-XSDIEEQYSA-N 1 0 467.526 -0.464 20 0 JBADRO CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001158958851 1069322687 /nfs/dbraw/zinc/32/26/87/1069322687.db2.gz LKNHXNHYHZGZQB-ROUUACIJSA-N 1 0 473.530 -0.208 20 0 JBADRO CC(C)Oc1ncnc2c1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001158967551 1069322791 /nfs/dbraw/zinc/32/27/91/1069322791.db2.gz BLPPJWOJCLHLAT-ICSRJNTNSA-N 1 0 457.531 -0.056 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967595 1069322645 /nfs/dbraw/zinc/32/26/45/1069322645.db2.gz BYPJZNMSJXKBHL-OKYOBFRVSA-N 1 0 473.578 -0.708 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968798 1069322919 /nfs/dbraw/zinc/32/29/19/1069322919.db2.gz YIJPRJPHYQBZJX-FSGKZVOOSA-N 1 0 487.605 -0.238 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc(C(N)=O)c(Cl)cn1)c(N)nc2=O ZINC001158979629 1069323231 /nfs/dbraw/zinc/32/32/31/1069323231.db2.gz CFLDHPBZDXKDJF-ZDUSSCGKSA-N 1 0 478.897 -0.188 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1nc(Cl)ccc1C(N)=O)c(N)nc2=O ZINC001158979887 1069323151 /nfs/dbraw/zinc/32/31/51/1069323151.db2.gz DCMVCQSDWKWFSW-LBPRGKRZSA-N 1 0 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O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@@H]2C1 ZINC001159203769 1069337801 /nfs/dbraw/zinc/33/78/01/1069337801.db2.gz QWAZPRMZJBXZJL-QGZVKYPTSA-N 1 0 476.599 -0.229 20 0 JBADRO O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@@H]2C1 ZINC001159203771 1069337972 /nfs/dbraw/zinc/33/79/72/1069337972.db2.gz QWAZPRMZJBXZJL-RAUXBKROSA-N 1 0 476.599 -0.229 20 0 JBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001159204510 1069338225 /nfs/dbraw/zinc/33/82/25/1069338225.db2.gz XTXYUJJHEAADRU-JENIJYKNSA-N 1 0 467.592 -0.786 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001159204563 1069338442 /nfs/dbraw/zinc/33/84/42/1069338442.db2.gz YLLDYLINYJEWQP-VYJAJWGXSA-N 1 0 494.637 -0.480 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159210157 1069338889 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CCn1nnc2c1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H]2COCc1ccccc1 ZINC001159246681 1069339603 /nfs/dbraw/zinc/33/96/03/1069339603.db2.gz JJFUHZZAPZVAGC-QILLFSRXSA-N 1 0 457.535 -0.352 20 0 JBADRO CCn1nnc2c1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H]2COCc1ccccc1 ZINC001159246682 1069339473 /nfs/dbraw/zinc/33/94/73/1069339473.db2.gz JJFUHZZAPZVAGC-ZVZYQTTQSA-N 1 0 457.535 -0.352 20 0 JBADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])n1 ZINC001159255391 1069339187 /nfs/dbraw/zinc/33/91/87/1069339187.db2.gz DDNWYNBMCWDFDY-DSLXNQLJSA-N 1 0 456.547 -0.454 20 0 JBADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)n1 ZINC001159258749 1069339090 /nfs/dbraw/zinc/33/90/90/1069339090.db2.gz SUZUEKRCHXNADI-MYGLTJDJSA-N 1 0 481.553 -0.155 20 0 JBADRO Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)[C@@H]2CCCO[C@@H]21 ZINC001159266084 1069339235 /nfs/dbraw/zinc/33/92/35/1069339235.db2.gz CGZQHYADKXXQNF-WOGUSJMUSA-N 1 0 469.546 -0.159 20 0 JBADRO Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)[C@@H]2CCCO[C@@H]21 ZINC001159268106 1069339382 /nfs/dbraw/zinc/33/93/82/1069339382.db2.gz PJDREIUVRVJDHR-KYHPRHEASA-N 1 0 454.535 -0.549 20 0 JBADRO Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)[C@@H]2CCCO[C@@H]21 ZINC001159268108 1069339217 /nfs/dbraw/zinc/33/92/17/1069339217.db2.gz PJDREIUVRVJDHR-LISAXSMJSA-N 1 0 454.535 -0.549 20 0 JBADRO Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@@H]2CCCO[C@@H]21 ZINC001159268906 1069339156 /nfs/dbraw/zinc/33/91/56/1069339156.db2.gz SPWXEFCIXKOEHW-IMBTUZDBSA-N 1 0 464.588 -0.072 20 0 JBADRO Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@@H]2CCCO[C@@H]21 ZINC001159268907 1069339523 /nfs/dbraw/zinc/33/95/23/1069339523.db2.gz SPWXEFCIXKOEHW-SFNKJDCFSA-N 1 0 464.588 -0.072 20 0 JBADRO Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@@H]2CCCO[C@@H]21 ZINC001159269343 1069339123 /nfs/dbraw/zinc/33/91/23/1069339123.db2.gz WSGGMJZKYPCRAH-YIUJWAEMSA-N 1 0 499.568 -0.734 20 0 JBADRO O=C(NCc1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2)c1ccno1 ZINC001159271529 1069339335 /nfs/dbraw/zinc/33/93/35/1069339335.db2.gz DPIUHDQGXOUDEN-HNNXBMFYSA-N 1 0 462.532 -0.442 20 0 JBADRO O=C(NCc1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2)c1ccno1 ZINC001159271533 1069339173 /nfs/dbraw/zinc/33/91/73/1069339173.db2.gz DPIUHDQGXOUDEN-OAHLLOKOSA-N 1 0 462.532 -0.442 20 0 JBADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159272221 1069339292 /nfs/dbraw/zinc/33/92/92/1069339292.db2.gz KNKCOBLHMUPHDK-KRWDZBQOSA-N 1 0 451.487 -0.171 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272233 1069339400 /nfs/dbraw/zinc/33/94/00/1069339400.db2.gz KYDSVCPQCILCKV-FSGKZVOOSA-N 1 0 487.605 -0.238 20 0 JBADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159273693 1069339567 /nfs/dbraw/zinc/33/95/67/1069339567.db2.gz UHZXOPXOJJROMN-KRWDZBQOSA-N 1 0 451.487 -0.171 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273756 1069340293 /nfs/dbraw/zinc/34/02/93/1069340293.db2.gz VOEBENZHAFHEQK-OKYOBFRVSA-N 1 0 473.578 -0.708 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159273769 1069340151 /nfs/dbraw/zinc/34/01/51/1069340151.db2.gz VRJVUBAXVQTHGT-HNNXBMFYSA-N 1 0 467.490 -0.529 20 0 JBADRO O=C(NCc1cnc2n1CCN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)C2)c1ccno1 ZINC001159273829 1069340250 /nfs/dbraw/zinc/34/02/50/1069340250.db2.gz XZBHHZJECKWHCD-HNNXBMFYSA-N 1 0 451.491 -0.314 20 0 JBADRO O=C(NCc1cnc2n1CCN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)C2)c1ccno1 ZINC001159273830 1069340182 /nfs/dbraw/zinc/34/01/82/1069340182.db2.gz XZBHHZJECKWHCD-OAHLLOKOSA-N 1 0 451.491 -0.314 20 0 JBADRO OC[C@H]1O[C@@H](n2cc(I)c3c2ncnc3NC2=CCC[NH2+]C2)[C@H](O)[C@@H]1O ZINC001159274024 1069340201 /nfs/dbraw/zinc/34/02/01/1069340201.db2.gz AZZSBGBEHXTOFP-XNIJJKJLSA-N 1 0 473.271 -0.064 20 0 JBADRO OC[C@H]1O[C@@H](n2cc(I)c3c2ncnc3NC2=CC[NH2+]C2)[C@H](O)[C@@H]1O ZINC001159274525 1069340104 /nfs/dbraw/zinc/34/01/04/1069340104.db2.gz MVLDWGHARNXWQT-SDBHATRESA-N 1 0 459.244 -0.454 20 0 JBADRO OC[C@H]1O[C@@H](n2cc(I)c3c2ncnc3NC2=CC[NH2+]CC2)[C@H](O)[C@@H]1O ZINC001159274564 1069340227 /nfs/dbraw/zinc/34/02/27/1069340227.db2.gz ONJWLFDXAZMYLG-XNIJJKJLSA-N 1 0 473.271 -0.064 20 0 JBADRO [NH3+]Cc1cnccc1Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001159275038 1069339800 /nfs/dbraw/zinc/33/98/00/1069339800.db2.gz XTMHLBTYSXTVJD-LSCFUAHRSA-N 1 0 498.281 -0.333 20 0 JBADRO CC[C@@H]1N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001159275525 1069340122 /nfs/dbraw/zinc/34/01/22/1069340122.db2.gz GCKSFYSZLFMSTJ-ORQYLMBXSA-N 1 0 465.595 -0.151 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001159284103 1069339898 /nfs/dbraw/zinc/33/98/98/1069339898.db2.gz VKKDCHBAXMCUTK-QKLQHJQFSA-N 1 0 469.546 -0.230 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001159284104 1069339830 /nfs/dbraw/zinc/33/98/30/1069339830.db2.gz VKKDCHBAXMCUTK-ZWOKBUDYSA-N 1 0 469.546 -0.230 20 0 JBADRO O=C(c1ccc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)N1CC[NH2+]CC1 ZINC001159289703 1069339939 /nfs/dbraw/zinc/33/99/39/1069339939.db2.gz IKPMTAKIQPKWAY-OZQHCQBDSA-N 1 0 454.487 -0.168 20 0 JBADRO Cc1ccc(N2CCO[C@H]3CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CCC[NH2+]4)C[C@H]32)nn1 ZINC001159297236 1069339862 /nfs/dbraw/zinc/33/98/62/1069339862.db2.gz HTJSFKRYDKIIGT-HAGHYFMRSA-N 1 0 487.605 -0.400 20 0 JBADRO COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001159297754 1069340004 /nfs/dbraw/zinc/34/00/04/1069340004.db2.gz BPFLJGNNQNSMIP-GUYCJALGSA-N 1 0 460.535 -0.897 20 0 JBADRO COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001159297826 1069339975 /nfs/dbraw/zinc/33/99/75/1069339975.db2.gz CSGIIFURABGHQD-KBXCAEBGSA-N 1 0 474.562 -0.507 20 0 JBADRO COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001159299415 1069340851 /nfs/dbraw/zinc/34/08/51/1069340851.db2.gz TYXVYSRYTQMESC-UHFFFAOYSA-N 1 0 453.565 -0.384 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC001159318707 1069340693 /nfs/dbraw/zinc/34/06/93/1069340693.db2.gz VQDKWTGXJHKDNO-YJBOKZPZSA-N 1 0 470.534 -0.814 20 0 JBADRO CCN1CC[C@@]2(CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[C@@H]2C)C1=O ZINC001159318820 1069340565 /nfs/dbraw/zinc/34/05/65/1069340565.db2.gz XEJOLMPBSGEXGX-FKJUYZFESA-N 1 0 483.585 -0.395 20 0 JBADRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001159327642 1069340436 /nfs/dbraw/zinc/34/04/36/1069340436.db2.gz BKRVLUJKTGVBCG-UHFFFAOYSA-N 1 0 464.548 -0.584 20 0 JBADRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2 ZINC001159327667 1069340758 /nfs/dbraw/zinc/34/07/58/1069340758.db2.gz CEDZVXGLFAWSEJ-SCLBCKFNSA-N 1 0 485.545 -0.707 20 0 JBADRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001159328849 1069341045 /nfs/dbraw/zinc/34/10/45/1069341045.db2.gz JDVCZULUMFQPNO-KRWDZBQOSA-N 1 0 473.555 -0.027 20 0 JBADRO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001159328850 1069341075 /nfs/dbraw/zinc/34/10/75/1069341075.db2.gz JDVCZULUMFQPNO-QGZVFWFLSA-N 1 0 473.555 -0.027 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1)C(N)=O ZINC001159340990 1069340816 /nfs/dbraw/zinc/34/08/16/1069340816.db2.gz ZEXATWRVTLQVLT-OFQRWUPVSA-N 1 0 451.499 -0.153 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1)C(N)=O ZINC001159340991 1069340457 /nfs/dbraw/zinc/34/04/57/1069340457.db2.gz ZEXATWRVTLQVLT-SQWLQELKSA-N 1 0 451.499 -0.153 20 0 JBADRO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159348792 1069340647 /nfs/dbraw/zinc/34/06/47/1069340647.db2.gz DAPUVSCZQUBTCF-FQEVSTJZSA-N 1 0 457.597 -0.047 20 0 JBADRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001159348793 1069340967 /nfs/dbraw/zinc/34/09/67/1069340967.db2.gz DAPUVSCZQUBTCF-HXUWFJFHSA-N 1 0 457.597 -0.047 20 0 JBADRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159348826 1069340486 /nfs/dbraw/zinc/34/04/86/1069340486.db2.gz DLBWSGLKTUYXRD-FCORRRHLSA-N 1 0 478.594 -0.170 20 0 JBADRO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159348827 1069341406 /nfs/dbraw/zinc/34/14/06/1069341406.db2.gz DLBWSGLKTUYXRD-YWBKXGLFSA-N 1 0 478.594 -0.170 20 0 JBADRO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159353144 1069341659 /nfs/dbraw/zinc/34/16/59/1069341659.db2.gz QFBORUKTZWZMDT-SDYXESRWSA-N 1 0 464.567 -0.560 20 0 JBADRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159353150 1069341738 /nfs/dbraw/zinc/34/17/38/1069341738.db2.gz QFBORUKTZWZMDT-VELBRHGASA-N 1 0 464.567 -0.560 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1 ZINC001159358635 1069341336 /nfs/dbraw/zinc/34/13/36/1069341336.db2.gz NZNWGBRNKBJLSH-CBHOWOPOSA-N 1 0 486.573 -0.728 20 0 JBADRO O=C(N[C@@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001159358642 1069341317 /nfs/dbraw/zinc/34/13/17/1069341317.db2.gz OHNAZPMVDCEKNT-MANSERQUSA-N 1 0 466.546 -0.245 20 0 JBADRO O=C(N[C@@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001159358643 1069341596 /nfs/dbraw/zinc/34/15/96/1069341596.db2.gz OHNAZPMVDCEKNT-OKYOBFRVSA-N 1 0 466.546 -0.245 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2ncn(C)c2[C@H]1COCc1cccnc1)C(N)=O ZINC001159375329 1069341225 /nfs/dbraw/zinc/34/12/25/1069341225.db2.gz NYUBEJWTNOXEMJ-BMGDILEWSA-N 1 0 457.535 -0.445 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2ncn(C)c2[C@@H]1COCc1cccnc1)C(N)=O ZINC001159375330 1069341294 /nfs/dbraw/zinc/34/12/94/1069341294.db2.gz NYUBEJWTNOXEMJ-QGTPRVQTSA-N 1 0 457.535 -0.445 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159388051 1069341496 /nfs/dbraw/zinc/34/14/96/1069341496.db2.gz JWCHDGUHXFGPHR-FPOVZHCZSA-N 1 0 494.556 -0.230 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159388691 1069341270 /nfs/dbraw/zinc/34/12/70/1069341270.db2.gz QNIYFGPNUMYGEL-YJBOKZPZSA-N 1 0 469.550 -0.528 20 0 JBADRO CCn1nnc2c1[C@@H](C(=O)n1cc3c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C3)CNC2 ZINC001159393371 1069341366 /nfs/dbraw/zinc/34/13/66/1069341366.db2.gz DGCAOIGVKNGWCP-YQQAZPJKSA-N 1 0 472.575 -0.684 20 0 JBADRO CCn1nnc2c1[C@H](C(=O)n1cc3c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C3)CNC2 ZINC001159393372 1069342249 /nfs/dbraw/zinc/34/22/49/1069342249.db2.gz DGCAOIGVKNGWCP-ZMSDIMECSA-N 1 0 472.575 -0.684 20 0 JBADRO COC(=O)[C@@H]1C[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CCN1 ZINC001159393990 1069341956 /nfs/dbraw/zinc/34/19/56/1069341956.db2.gz LCSHFNYEXIVGKX-BSWAZPDLSA-N 1 0 463.560 -0.641 20 0 JBADRO COC(=O)[C@H]1C[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CCN1 ZINC001159393991 1069342320 /nfs/dbraw/zinc/34/23/20/1069342320.db2.gz LCSHFNYEXIVGKX-QMCVQRASSA-N 1 0 463.560 -0.641 20 0 JBADRO COC(=O)[C@@H]1C[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CCN1 ZINC001159393992 1069342434 /nfs/dbraw/zinc/34/24/34/1069342434.db2.gz LCSHFNYEXIVGKX-QSPRXWTASA-N 1 0 463.560 -0.641 20 0 JBADRO COC(=O)[C@H]1C[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CCN1 ZINC001159393993 1069342116 /nfs/dbraw/zinc/34/21/16/1069342116.db2.gz LCSHFNYEXIVGKX-XLNGHYISSA-N 1 0 463.560 -0.641 20 0 JBADRO Nc1nn2cccnc2c1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394242 1069341942 /nfs/dbraw/zinc/34/19/42/1069341942.db2.gz MCYAVWVANFVKJZ-UONOGXRCSA-N 1 0 454.516 -0.509 20 0 JBADRO Nc1ncn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159397005 1069343377 /nfs/dbraw/zinc/34/33/77/1069343377.db2.gz PBMISIAPFXNZGD-PBHICJAKSA-N 1 0 482.994 0.000 20 0 JBADRO Nc1ncn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159397011 1069343325 /nfs/dbraw/zinc/34/33/25/1069343325.db2.gz PBMISIAPFXNZGD-RHSMWYFYSA-N 1 0 482.994 0.000 20 0 JBADRO Nc1ncn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159397012 1069343428 /nfs/dbraw/zinc/34/34/28/1069343428.db2.gz PBMISIAPFXNZGD-WMLDXEAASA-N 1 0 482.994 0.000 20 0 JBADRO Nc1ncn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159397013 1069343643 /nfs/dbraw/zinc/34/36/43/1069343643.db2.gz PBMISIAPFXNZGD-YOEHRIQHSA-N 1 0 482.994 0.000 20 0 JBADRO Nc1ncn(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159397257 1069343341 /nfs/dbraw/zinc/34/33/41/1069343341.db2.gz QDTPLFJXVTWCKU-PBHICJAKSA-N 1 0 482.994 0.000 20 0 JBADRO Nc1ncn(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159397258 1069343600 /nfs/dbraw/zinc/34/36/00/1069343600.db2.gz QDTPLFJXVTWCKU-RHSMWYFYSA-N 1 0 482.994 0.000 20 0 JBADRO Nc1ncn(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159397259 1069343409 /nfs/dbraw/zinc/34/34/09/1069343409.db2.gz QDTPLFJXVTWCKU-WMLDXEAASA-N 1 0 482.994 0.000 20 0 JBADRO Nc1ncn(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159397260 1069343628 /nfs/dbraw/zinc/34/36/28/1069343628.db2.gz QDTPLFJXVTWCKU-YOEHRIQHSA-N 1 0 482.994 0.000 20 0 JBADRO CN1CCN(NC(=O)c2ccc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)cc2)CC1 ZINC001159398004 1069344195 /nfs/dbraw/zinc/34/41/95/1069344195.db2.gz UUJDDCHMTURWAL-AEFFLSMTSA-N 1 0 474.997 -0.129 20 0 JBADRO CN1CCN(NC(=O)c2ccc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)cc2)CC1 ZINC001159398008 1069343894 /nfs/dbraw/zinc/34/38/94/1069343894.db2.gz UUJDDCHMTURWAL-FUHWJXTLSA-N 1 0 474.997 -0.129 20 0 JBADRO CN1CCN(NC(=O)c2ccc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)cc2)CC1 ZINC001159398012 1069343980 /nfs/dbraw/zinc/34/39/80/1069343980.db2.gz UUJDDCHMTURWAL-SJLPKXTDSA-N 1 0 474.997 -0.129 20 0 JBADRO CN1CCN(NC(=O)c2ccc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)cc2)CC1 ZINC001159398015 1069344070 /nfs/dbraw/zinc/34/40/70/1069344070.db2.gz UUJDDCHMTURWAL-WMZOPIPTSA-N 1 0 474.997 -0.129 20 0 JBADRO CCOC[C@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)Cc2cnn(C)c21 ZINC001159402789 1069344036 /nfs/dbraw/zinc/34/40/36/1069344036.db2.gz KDXJBXMYUVNTHD-FORWCCJISA-N 1 0 496.584 -0.216 20 0 JBADRO CCOC[C@@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)Cc2cnn(C)c21 ZINC001159402790 1069344106 /nfs/dbraw/zinc/34/41/06/1069344106.db2.gz KDXJBXMYUVNTHD-VERUCKTNSA-N 1 0 496.584 -0.216 20 0 JBADRO COc1ncc(-n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)cc1NS(C)(=O)=O ZINC001159404163 1069344292 /nfs/dbraw/zinc/34/42/92/1069344292.db2.gz JGSDBKOCYCDUMU-GWCFXTLKSA-N 1 0 457.944 -0.246 20 0 JBADRO COc1ncc(-n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)cc1NS(C)(=O)=O ZINC001159404164 1069344319 /nfs/dbraw/zinc/34/43/19/1069344319.db2.gz JGSDBKOCYCDUMU-GXFFZTMASA-N 1 0 457.944 -0.246 20 0 JBADRO COc1ncc(-n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)cc1NS(C)(=O)=O ZINC001159404165 1069344011 /nfs/dbraw/zinc/34/40/11/1069344011.db2.gz JGSDBKOCYCDUMU-MFKMUULPSA-N 1 0 457.944 -0.246 20 0 JBADRO COc1ncc(-n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)cc1NS(C)(=O)=O ZINC001159404166 1069343866 /nfs/dbraw/zinc/34/38/66/1069343866.db2.gz JGSDBKOCYCDUMU-ZWNOBZJWSA-N 1 0 457.944 -0.246 20 0 JBADRO CCN1C[C@H]2CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC[C@H]2S1(=O)=O ZINC001159404398 1069343931 /nfs/dbraw/zinc/34/39/31/1069343931.db2.gz QBLIYOJXZDVYRW-XGXHKWSGSA-N 1 0 468.576 -0.988 20 0 JBADRO CCN1C[C@H]2CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCC[NH2+]3)CC[C@H]2S1(=O)=O ZINC001159404640 1069344173 /nfs/dbraw/zinc/34/41/73/1069344173.db2.gz VCOVKNKDATVRIF-YDZRNGNQSA-N 1 0 485.651 -0.342 20 0 JBADRO CN1CCN(S(=O)(=O)c2cccc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)c2)CC1 ZINC001159406761 1069344228 /nfs/dbraw/zinc/34/42/28/1069344228.db2.gz SQRFDEGAKMHVAM-CRAIPNDOSA-N 1 0 496.037 -0.085 20 0 JBADRO CN1CCN(S(=O)(=O)c2cccc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)c2)CC1 ZINC001159406774 1069343835 /nfs/dbraw/zinc/34/38/35/1069343835.db2.gz SQRFDEGAKMHVAM-MAUKXSAKSA-N 1 0 496.037 -0.085 20 0 JBADRO CN1CCN(S(=O)(=O)c2cccc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)c2)CC1 ZINC001159406777 1069343961 /nfs/dbraw/zinc/34/39/61/1069343961.db2.gz SQRFDEGAKMHVAM-QAPCUYQASA-N 1 0 496.037 -0.085 20 0 JBADRO CN1CCN(S(=O)(=O)c2cccc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)c2)CC1 ZINC001159406779 1069343915 /nfs/dbraw/zinc/34/39/15/1069343915.db2.gz SQRFDEGAKMHVAM-YJBOKZPZSA-N 1 0 496.037 -0.085 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159412013 1069344771 /nfs/dbraw/zinc/34/47/71/1069344771.db2.gz NSCVOKNNWXPGKK-BYMXYVBLSA-N 1 0 488.516 -0.173 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159412596 1069344670 /nfs/dbraw/zinc/34/46/70/1069344670.db2.gz UVMZJIGPVNVYBH-RYUMIWLPSA-N 1 0 463.510 -0.471 20 0 JBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159424369 1069344827 /nfs/dbraw/zinc/34/48/27/1069344827.db2.gz AMKIWUQORKPSTH-JXFKEZNVSA-N 1 0 473.559 -0.353 20 0 JBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159424370 1069344947 /nfs/dbraw/zinc/34/49/47/1069344947.db2.gz 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ZINC001159459274 1069350089 /nfs/dbraw/zinc/35/00/89/1069350089.db2.gz WVMLMPOKQMLTOS-VNTMZGSJSA-N 1 0 468.620 -0.819 20 0 JBADRO [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459298 1069349842 /nfs/dbraw/zinc/34/98/42/1069349842.db2.gz XRHGQZFKEGDYKS-AKHDSKFASA-N 1 0 475.571 -0.447 20 0 JBADRO [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459299 1069349932 /nfs/dbraw/zinc/34/99/32/1069349932.db2.gz XRHGQZFKEGDYKS-ZSYWTGECSA-N 1 0 475.571 -0.447 20 0 JBADRO O=C([C@H]1CCCCN1[C@@H]1CC[NH2+]C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459362 1069349826 /nfs/dbraw/zinc/34/98/26/1069349826.db2.gz YQZSEAOBIGLBKB-LASHMREHSA-N 1 0 468.620 -0.677 20 0 JBADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@@H]3CCCCN3[C@@H]3CC[NH2+]C3)C[C@@H]21)N1CCOCC1 ZINC001159459363 1069350551 /nfs/dbraw/zinc/35/05/51/1069350551.db2.gz YQZSEAOBIGLBKB-LTFPLMDUSA-N 1 0 468.620 -0.677 20 0 JBADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@@H]3CCCCN3[C@H]3CC[NH2+]C3)C[C@@H]21)N1CCOCC1 ZINC001159459364 1069350667 /nfs/dbraw/zinc/35/06/67/1069350667.db2.gz YQZSEAOBIGLBKB-MFKWGIFDSA-N 1 0 468.620 -0.677 20 0 JBADRO O=C([C@H]1CCCCN1[C@H]1CC[NH2+]C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459365 1069350267 /nfs/dbraw/zinc/35/02/67/1069350267.db2.gz YQZSEAOBIGLBKB-OMQSBVIBSA-N 1 0 468.620 -0.677 20 0 JBADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001159463031 1069350568 /nfs/dbraw/zinc/35/05/68/1069350568.db2.gz OQQDHRDJOSGSNF-HRAATJIYSA-N 1 0 453.551 -0.211 20 0 JBADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001159463032 1069350675 /nfs/dbraw/zinc/35/06/75/1069350675.db2.gz OQQDHRDJOSGSNF-IERDGZPVSA-N 1 0 453.551 -0.211 20 0 JBADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001159463033 1069350541 /nfs/dbraw/zinc/35/05/41/1069350541.db2.gz OQQDHRDJOSGSNF-IIBYNOLFSA-N 1 0 453.551 -0.211 20 0 JBADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001159463034 1069350483 /nfs/dbraw/zinc/35/04/83/1069350483.db2.gz OQQDHRDJOSGSNF-KKSFZXQISA-N 1 0 453.551 -0.211 20 0 JBADRO Cc1noc([C@]23COC[C@H]2CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)C3)n1 ZINC001159471463 1069350532 /nfs/dbraw/zinc/35/05/32/1069350532.db2.gz GYJIPSAMYJPVPU-TXXWUTRGSA-N 1 0 462.551 -0.496 20 0 JBADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001159472048 1069350581 /nfs/dbraw/zinc/35/05/81/1069350581.db2.gz NTCOJDFKMYPUSL-RLSLOFABSA-N 1 0 498.584 -0.396 20 0 JBADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001159472049 1069350333 /nfs/dbraw/zinc/35/03/33/1069350333.db2.gz NTCOJDFKMYPUSL-ZYLNGJIFSA-N 1 0 498.584 -0.396 20 0 JBADRO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C3)n1 ZINC001159472051 1069350635 /nfs/dbraw/zinc/35/06/35/1069350635.db2.gz NTGDZCJFYBFHGK-VFOTVIGXSA-N 1 0 498.584 -0.069 20 0 JBADRO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C3)n1 ZINC001159472118 1069350298 /nfs/dbraw/zinc/35/02/98/1069350298.db2.gz PSTWBDFKIJQRDC-HKONCHPCSA-N 1 0 476.578 -0.026 20 0 JBADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001159472171 1069350388 /nfs/dbraw/zinc/35/03/88/1069350388.db2.gz RMBKNCFBAPBZLU-WSZRMNBISA-N 1 0 473.578 -0.694 20 0 JBADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001159472172 1069350509 /nfs/dbraw/zinc/35/05/09/1069350509.db2.gz RMBKNCFBAPBZLU-YGJVYZRNSA-N 1 0 473.578 -0.694 20 0 JBADRO Cc1noc([C@]23COC[C@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C3)n1 ZINC001159472366 1069350412 /nfs/dbraw/zinc/35/04/12/1069350412.db2.gz SWJYPDMPLWHLLW-VGACKRCCSA-N 1 0 496.540 -0.994 20 0 JBADRO [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159492409 1069351117 /nfs/dbraw/zinc/35/11/17/1069351117.db2.gz ISYUUAREMPGQIZ-SFHVURJKSA-N 1 0 465.514 -0.108 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159492544 1069351005 /nfs/dbraw/zinc/35/10/05/1069351005.db2.gz KMSJXBOMEXLMGJ-QMMLZNLJSA-N 1 0 484.557 -0.783 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159492545 1069351374 /nfs/dbraw/zinc/35/13/74/1069351374.db2.gz KMSJXBOMEXLMGJ-YYWHXJBOSA-N 1 0 484.557 -0.783 20 0 JBADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)C2)C1=O ZINC001159492774 1069351305 /nfs/dbraw/zinc/35/13/05/1069351305.db2.gz NLVUIANEQWAXDL-AOMKIAJQSA-N 1 0 459.551 -0.757 20 0 JBADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)C2)C1=O ZINC001159492777 1069351164 /nfs/dbraw/zinc/35/11/64/1069351164.db2.gz NLVUIANEQWAXDL-KSFYIVLOSA-N 1 0 459.551 -0.757 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159492928 1069350908 /nfs/dbraw/zinc/35/09/08/1069350908.db2.gz LOYATLBFHAXSIV-RDJZCZTQSA-N 1 0 462.551 -0.142 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159493347 1069351083 /nfs/dbraw/zinc/35/10/83/1069351083.db2.gz MEENAGDEFJFARQ-AEFFLSMTSA-N 1 0 454.535 -0.209 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159493349 1069351518 /nfs/dbraw/zinc/35/15/18/1069351518.db2.gz MEENAGDEFJFARQ-WMZOPIPTSA-N 1 0 454.535 -0.209 20 0 JBADRO O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493395 1069351412 /nfs/dbraw/zinc/35/14/12/1069351412.db2.gz NQDJRCWANLJEDK-KRWDZBQOSA-N 1 0 452.475 -0.258 20 0 JBADRO O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159493396 1069351226 /nfs/dbraw/zinc/35/12/26/1069351226.db2.gz NQDJRCWANLJEDK-QGZVFWFLSA-N 1 0 452.475 -0.258 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159494064 1069351056 /nfs/dbraw/zinc/35/10/56/1069351056.db2.gz UZPKZARPJRWORA-IRXDYDNUSA-N 1 0 489.577 -0.877 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@H]4C[NH2+]CCN4C)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506424 1069350866 /nfs/dbraw/zinc/35/08/66/1069350866.db2.gz ALTWKXUJDIDSOH-SELNLUPBSA-N 1 0 483.679 -0.057 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[NH2+]CCN4C)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506430 1069350959 /nfs/dbraw/zinc/35/09/59/1069350959.db2.gz ALTWKXUJDIDSOH-SFYKDHMMSA-N 1 0 483.679 -0.057 20 0 JBADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)C2)C1=O ZINC001159506441 1069351198 /nfs/dbraw/zinc/35/11/98/1069351198.db2.gz AVBJJJPOIZJBRJ-FDDCHVKYSA-N 1 0 469.546 -0.067 20 0 JBADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)C2)C1=O ZINC001159506445 1069351271 /nfs/dbraw/zinc/35/12/71/1069351271.db2.gz AVBJJJPOIZJBRJ-JPYJTQIMSA-N 1 0 469.546 -0.067 20 0 JBADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)C2)C1=O ZINC001159506448 1069351461 /nfs/dbraw/zinc/35/14/61/1069351461.db2.gz AVBJJJPOIZJBRJ-MBSDFSHPSA-N 1 0 469.546 -0.067 20 0 JBADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)C2)C1=O ZINC001159506450 1069352136 /nfs/dbraw/zinc/35/21/36/1069352136.db2.gz AVBJJJPOIZJBRJ-WZONZLPQSA-N 1 0 469.546 -0.067 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)C[C@H]([NH3+])CO)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506462 1069352164 /nfs/dbraw/zinc/35/21/64/1069352164.db2.gz AWJCLOZFINWGTM-XGHQBKJUSA-N 1 0 458.625 -0.251 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@H]4C[NH2+]C[C@@H]4N)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506494 1069351827 /nfs/dbraw/zinc/35/18/27/1069351827.db2.gz BMSAMZXEIIGNRT-VDNWNZSNSA-N 1 0 469.652 -0.414 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)CNC(=O)C[NH3+])CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506596 1069351975 /nfs/dbraw/zinc/35/19/75/1069351975.db2.gz DHWIRBADPRLLJV-HRAATJIYSA-N 1 0 471.624 -0.886 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]([NH3+])[C@@H](C)O)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506670 1069351789 /nfs/dbraw/zinc/35/17/89/1069351789.db2.gz DQMPNDARYVOXOM-MXTNKPTQSA-N 1 0 458.625 -0.253 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)CNCC[NH3+])CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506678 1069352049 /nfs/dbraw/zinc/35/20/49/1069352049.db2.gz DSKYRCSNJVUNOL-LAUBAEHRSA-N 1 0 457.641 -0.413 20 0 JBADRO CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CC[C@@]3(C(=O)NCC(C)C)CN(S(C)(=O)=O)C[C@@H]23)CC1 ZINC001159506729 1069352113 /nfs/dbraw/zinc/35/21/13/1069352113.db2.gz FCMQOKBYERQNAE-NPPFBWRTSA-N 1 0 486.635 -0.071 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[C@@H]([NH3+])CN4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506944 1069351884 /nfs/dbraw/zinc/35/18/84/1069351884.db2.gz ISXWFSHCONPMBE-BZDHPDOMSA-N 1 0 469.652 -0.272 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[C@H]([NH3+])CN4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506945 1069352075 /nfs/dbraw/zinc/35/20/75/1069352075.db2.gz ISXWFSHCONPMBE-VDNWNZSNSA-N 1 0 469.652 -0.272 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@H]4C[C@@H](O)C[NH2+]4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159507169 1069351938 /nfs/dbraw/zinc/35/19/38/1069351938.db2.gz KEFXZHLBLCCHMU-QSNWEANLSA-N 1 0 470.636 -0.238 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[C@H](O)C[NH2+]4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159507170 1069351998 /nfs/dbraw/zinc/35/19/98/1069351998.db2.gz KEFXZHLBLCCHMU-VDNWNZSNSA-N 1 0 470.636 -0.238 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@](C)([NH3+])CO)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159507296 1069351760 /nfs/dbraw/zinc/35/17/60/1069351760.db2.gz LQWYXPKQYMKBRH-NBHGPNQESA-N 1 0 458.625 -0.251 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)/C=C/C(=O)NCC[NH3+])CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159507378 1069351730 /nfs/dbraw/zinc/35/17/30/1069351730.db2.gz OAEDPZOKOYKNJF-YGUSZFPMSA-N 1 0 497.662 -0.330 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@H]4C[NH2+]CCN4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159507690 1069351854 /nfs/dbraw/zinc/35/18/54/1069351854.db2.gz PBAIQPWKZDHHFE-KGVIQGDOSA-N 1 0 469.652 -0.400 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[NH2+]CCN4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159507693 1069351708 /nfs/dbraw/zinc/35/17/08/1069351708.db2.gz PBAIQPWKZDHHFE-NPPFBWRTSA-N 1 0 469.652 -0.400 20 0 JBADRO C[NH2+][C@@H](CO)C(=O)N1CCC2(CC[C@@]3(C(=O)NCC(C)C)CN(S(C)(=O)=O)C[C@@H]23)CC1 ZINC001159507743 1069352026 /nfs/dbraw/zinc/35/20/26/1069352026.db2.gz PPDYQYUUHHVXIA-XGHQBKJUSA-N 1 0 458.625 -0.381 20 0 JBADRO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@H]4[NH2+]CC[C@H]4O)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159507835 1069352061 /nfs/dbraw/zinc/35/20/61/1069352061.db2.gz QKBPOQWELWXQPW-BZDHPDOMSA-N 1 0 470.636 -0.238 20 0 JBADRO 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JBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159530711 1069354387 /nfs/dbraw/zinc/35/43/87/1069354387.db2.gz XCPLKHNQUADDKV-MOPGFXCFSA-N 1 0 495.646 -0.391 20 0 JBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159530712 1069354245 /nfs/dbraw/zinc/35/42/45/1069354245.db2.gz XCPLKHNQUADDKV-OALUTQOASA-N 1 0 495.646 -0.391 20 0 JBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159530713 1069354686 /nfs/dbraw/zinc/35/46/86/1069354686.db2.gz XCPLKHNQUADDKV-RBUKOAKNSA-N 1 0 495.646 -0.391 20 0 JBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159530714 1069354981 /nfs/dbraw/zinc/35/49/81/1069354981.db2.gz XCPLKHNQUADDKV-RTBURBONSA-N 1 0 495.646 -0.391 20 0 JBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001159530756 1069354717 /nfs/dbraw/zinc/35/47/17/1069354717.db2.gz YBHOKUCVRDIGDV-MSOLQXFVSA-N 1 0 460.579 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JBADRO O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159532955 1069355196 /nfs/dbraw/zinc/35/51/96/1069355196.db2.gz CGPWJKCOHHSRRJ-FDGPYGQJSA-N 1 0 488.610 -0.271 20 0 JBADRO O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159532959 1069354767 /nfs/dbraw/zinc/35/47/67/1069354767.db2.gz CGPWJKCOHHSRRJ-XUJKJYMVSA-N 1 0 488.610 -0.271 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)N2CCCCC2)C1)C(N)=O ZINC001159533294 1069355041 /nfs/dbraw/zinc/35/50/41/1069355041.db2.gz KTEHICBLGUVWAQ-YYWYGQEZSA-N 1 0 451.568 -0.650 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@@H](CC(=O)N3CCCCC3)OC[C@H]2C1 ZINC001159533547 1069355335 /nfs/dbraw/zinc/35/53/35/1069355335.db2.gz MHVLHFMNGKSUMG-MFKWGIFDSA-N 1 0 477.606 -0.293 20 0 JBADRO NC(=O)NCCC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159533829 1069354745 /nfs/dbraw/zinc/35/47/45/1069354745.db2.gz KMFCZJLQIOHIEB-WKRCXCSHSA-N 1 0 465.576 -0.611 20 0 JBADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159535267 1069355070 /nfs/dbraw/zinc/35/50/70/1069355070.db2.gz VHUAAEYHGBRXGD-WIRSXHRWSA-N 1 0 451.545 -0.107 20 0 JBADRO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159535270 1069355094 /nfs/dbraw/zinc/35/50/94/1069355094.db2.gz VHUAAEYHGBRXGD-WKRCXCSHSA-N 1 0 451.545 -0.107 20 0 JBADRO Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159535604 1069355947 /nfs/dbraw/zinc/35/59/47/1069355947.db2.gz XASGEZJFKSHERW-AQCRLBJHSA-N 1 0 459.572 -0.084 20 0 JBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159540602 1069355870 /nfs/dbraw/zinc/35/58/70/1069355870.db2.gz CLVJTJXTXXCMPX-JRHPMUGDSA-N 1 0 463.556 -0.236 20 0 JBADRO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159540605 1069355880 /nfs/dbraw/zinc/35/58/80/1069355880.db2.gz CLVJTJXTXXCMPX-KOVVAJLHSA-N 1 0 463.556 -0.236 20 0 JBADRO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159540608 1069355861 /nfs/dbraw/zinc/35/58/61/1069355861.db2.gz CLVJTJXTXXCMPX-PTXJCGOLSA-N 1 0 463.556 -0.236 20 0 JBADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159540611 1069355786 /nfs/dbraw/zinc/35/57/86/1069355786.db2.gz CLVJTJXTXXCMPX-YHZBMZHBSA-N 1 0 463.556 -0.236 20 0 JBADRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159540613 1069355989 /nfs/dbraw/zinc/35/59/89/1069355989.db2.gz CNXPCEZQXBUAKU-GHDARCQNSA-N 1 0 462.572 -0.519 20 0 JBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541020 1069355916 /nfs/dbraw/zinc/35/59/16/1069355916.db2.gz MRAHGBCTXKSCDU-BNDYYXHWSA-N 1 0 495.623 -0.610 20 0 JBADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541021 1069355731 /nfs/dbraw/zinc/35/57/31/1069355731.db2.gz MRAHGBCTXKSCDU-JKBKZWBZSA-N 1 0 495.623 -0.610 20 0 JBADRO O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541056 1069355714 /nfs/dbraw/zinc/35/57/14/1069355714.db2.gz OPFQIKHKYSIVRA-MNDCFMPDSA-N 1 0 460.556 -0.909 20 0 JBADRO O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541057 1069355936 /nfs/dbraw/zinc/35/59/36/1069355936.db2.gz OPFQIKHKYSIVRA-PPULILFRSA-N 1 0 460.556 -0.909 20 0 JBADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541073 1069355813 /nfs/dbraw/zinc/35/58/13/1069355813.db2.gz PACXFGZWAKRWFO-GHDARCQNSA-N 1 0 462.572 -0.437 20 0 JBADRO [NH3+]CCOCCOCC(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541135 1069355758 /nfs/dbraw/zinc/35/57/58/1069355758.db2.gz REWGEBTWYMLSKO-DYXWJJEUSA-N 1 0 453.561 -0.395 20 0 JBADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541156 1069355600 /nfs/dbraw/zinc/35/56/00/1069355600.db2.gz RVARZBWLKMPDLZ-NMNQCFDFSA-N 1 0 455.602 -0.291 20 0 JBADRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541157 1069356559 /nfs/dbraw/zinc/35/65/59/1069356559.db2.gz RVARZBWLKMPDLZ-RALKJLQESA-N 1 0 455.602 -0.291 20 0 JBADRO NC(=O)CC[C@H]([NH3+])CC(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541161 1069356457 /nfs/dbraw/zinc/35/64/57/1069356457.db2.gz RYAIWHJMCYHJRX-NYUBLWNDSA-N 1 0 450.561 -0.404 20 0 JBADRO [NH3+][C@H]1CCCCN(CC(=O)N2C[C@H]3C[C@H]4[C@@](CN(CCc5ccccc5)S4(=O)=O)(C2)O3)C1=O ZINC001159541202 1069356471 /nfs/dbraw/zinc/35/64/71/1069356471.db2.gz UGSCWVDOBRSHRH-NVJIOZQYSA-N 1 0 476.599 -0.047 20 0 JBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541355 1069356270 /nfs/dbraw/zinc/35/62/70/1069356270.db2.gz WPIYKGLTQJAGPR-JKBKZWBZSA-N 1 0 482.628 -0.233 20 0 JBADRO CCOC(=O)C1(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(CCc5ccccc5)S4(=O)=O)(C2)O3)C[NH2+]C1 ZINC001159541410 1069356594 /nfs/dbraw/zinc/35/65/94/1069356594.db2.gz XBRCBZHSAZYODL-FGSXEWAUSA-N 1 0 463.556 -0.234 20 0 JBADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541464 1069356397 /nfs/dbraw/zinc/35/63/97/1069356397.db2.gz YECSNWRCTSKZQC-MVZRVGDMSA-N 1 0 476.599 -0.049 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541494 1069356326 /nfs/dbraw/zinc/35/63/26/1069356326.db2.gz YQXBCMZDMBDBGF-YICCCDAHSA-N 1 0 450.561 -0.535 20 0 JBADRO CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001159543183 1069356165 /nfs/dbraw/zinc/35/61/65/1069356165.db2.gz AXFARCAEHRADPO-GEYWLOKFSA-N 1 0 451.568 -0.922 20 0 JBADRO CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001159545500 1069356702 /nfs/dbraw/zinc/35/67/02/1069356702.db2.gz WNAAKPBBBFHJLQ-QHYAIYAISA-N 1 0 476.574 -0.624 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560954 1069356240 /nfs/dbraw/zinc/35/62/40/1069356240.db2.gz RIKHWFZXMVXHEU-JYJNAYRXSA-N 1 0 475.594 -0.209 20 0 JBADRO CC[C@H]1N(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CCC[C@]12CCC(=O)N2 ZINC001159583981 1069356206 /nfs/dbraw/zinc/35/62/06/1069356206.db2.gz FAGBIWHNWMROMV-PDIHVBSGSA-N 1 0 483.585 -0.062 20 0 JBADRO O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593335 1069356662 /nfs/dbraw/zinc/35/66/62/1069356662.db2.gz DCTRHGBYUMBXCW-SIAHKGHMSA-N 1 0 462.572 -0.020 20 0 JBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593349 1069356297 /nfs/dbraw/zinc/35/62/97/1069356297.db2.gz DHFXSYCVMJHOQC-WKRCXCSHSA-N 1 0 465.576 -0.545 20 0 JBADRO O=C([C@@H]1C[NH2+]CC12CCOCC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593369 1069356683 /nfs/dbraw/zinc/35/66/83/1069356683.db2.gz DMWRYKFVTGPXJF-GHDARCQNSA-N 1 0 462.572 -0.018 20 0 JBADRO O=C([C@H]1C[NH2+]CC12CCOCC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593530 1069356441 /nfs/dbraw/zinc/35/64/41/1069356441.db2.gz DMWRYKFVTGPXJF-IWQHBPENSA-N 1 0 462.572 -0.018 20 0 JBADRO O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593770 1069357307 /nfs/dbraw/zinc/35/73/07/1069357307.db2.gz ILFOJWUOIKAEPO-GBPOLFSSSA-N 1 0 499.597 -0.492 20 0 JBADRO O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159593773 1069357196 /nfs/dbraw/zinc/35/71/96/1069357196.db2.gz ILFOJWUOIKAEPO-XQQXVUDOSA-N 1 0 499.597 -0.492 20 0 JBADRO O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595844 1069357323 /nfs/dbraw/zinc/35/73/23/1069357323.db2.gz XAVMWIGIBWEGIC-MSQSPTIYSA-N 1 0 475.571 -0.919 20 0 JBADRO O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595845 1069357005 /nfs/dbraw/zinc/35/70/05/1069357005.db2.gz XAVMWIGIBWEGIC-QLDGJZPUSA-N 1 0 475.571 -0.919 20 0 JBADRO O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159596219 1069357078 /nfs/dbraw/zinc/35/70/78/1069357078.db2.gz ZFJDVFFVJISGKO-GHDARCQNSA-N 1 0 461.588 -0.160 20 0 JBADRO O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159596220 1069357254 /nfs/dbraw/zinc/35/72/54/1069357254.db2.gz ZFJDVFFVJISGKO-IWQHBPENSA-N 1 0 461.588 -0.160 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 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-0.636 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001159642384 1069361485 /nfs/dbraw/zinc/36/14/85/1069361485.db2.gz DXDZYVOEVVCPHH-XMSQKQJNSA-N 1 0 454.531 -0.636 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159642756 1069361733 /nfs/dbraw/zinc/36/17/33/1069361733.db2.gz GNCVFPPTISRCCC-AUSIDOKSSA-N 1 0 489.598 -0.338 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159642758 1069361500 /nfs/dbraw/zinc/36/15/00/1069361500.db2.gz GNCVFPPTISRCCC-CVDCTZTESA-N 1 0 489.598 -0.338 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159642760 1069361560 /nfs/dbraw/zinc/36/15/60/1069361560.db2.gz GNCVFPPTISRCCC-WMZHIEFXSA-N 1 0 489.598 -0.338 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159642763 1069362195 /nfs/dbraw/zinc/36/21/95/1069362195.db2.gz GNCVFPPTISRCCC-XXBNENTESA-N 1 0 489.598 -0.338 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2C(=O)N(C)C[C@H](COCC3CC3)[C@H]2CC1 ZINC001159642778 1069362228 /nfs/dbraw/zinc/36/22/28/1069362228.db2.gz BAIBWLVSKDOAPV-YNWKUBOOSA-N 1 0 491.633 -0.190 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001159642880 1069362221 /nfs/dbraw/zinc/36/22/21/1069362221.db2.gz IMEQBRKKZFMQIL-MZLICYQSSA-N 1 0 468.558 -0.009 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001159642882 1069362205 /nfs/dbraw/zinc/36/22/05/1069362205.db2.gz IMEQBRKKZFMQIL-SKPFHBQLSA-N 1 0 468.558 -0.009 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C2 ZINC001159643139 1069362171 /nfs/dbraw/zinc/36/21/71/1069362171.db2.gz JKKMIZDYQBBFIM-CYFREDJKSA-N 1 0 494.556 -0.425 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C2 ZINC001159643140 1069361987 /nfs/dbraw/zinc/36/19/87/1069361987.db2.gz JKKMIZDYQBBFIM-YADARESESA-N 1 0 494.556 -0.425 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159643455 1069362106 /nfs/dbraw/zinc/36/21/06/1069362106.db2.gz LYAJQIKIHLVHAX-PMACEKPBSA-N 1 0 484.605 -0.088 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001159643704 1069362054 /nfs/dbraw/zinc/36/20/54/1069362054.db2.gz OSQHHJKALSYEBA-AVRDEDQJSA-N 1 0 479.545 -0.815 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001159643705 1069362248 /nfs/dbraw/zinc/36/22/48/1069362248.db2.gz OSQHHJKALSYEBA-GCJKJVERSA-N 1 0 479.545 -0.815 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001159643706 1069362280 /nfs/dbraw/zinc/36/22/80/1069362280.db2.gz OSQHHJKALSYEBA-PGRDOPGGSA-N 1 0 479.545 -0.815 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001159643707 1069362186 /nfs/dbraw/zinc/36/21/86/1069362186.db2.gz OSQHHJKALSYEBA-XMSQKQJNSA-N 1 0 479.545 -0.815 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159644295 1069362118 /nfs/dbraw/zinc/36/21/18/1069362118.db2.gz STLDHZOYUWRKHK-PMACEKPBSA-N 1 0 467.530 -0.735 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2C(=O)N(C)C[C@H](COCC3CC3)[C@H]2CC1 ZINC001159644612 1069362617 /nfs/dbraw/zinc/36/26/17/1069362617.db2.gz XLMFWADXCYUFLS-XBKGKQEASA-N 1 0 451.568 -0.937 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001159644841 1069362557 /nfs/dbraw/zinc/36/25/57/1069362557.db2.gz WLVZIEJQLYTCIW-AUSIDOKSSA-N 1 0 478.557 -0.210 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001159644844 1069362871 /nfs/dbraw/zinc/36/28/71/1069362871.db2.gz WLVZIEJQLYTCIW-CVDCTZTESA-N 1 0 478.557 -0.210 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001159644847 1069362852 /nfs/dbraw/zinc/36/28/52/1069362852.db2.gz WLVZIEJQLYTCIW-WMZHIEFXSA-N 1 0 478.557 -0.210 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001159644850 1069362884 /nfs/dbraw/zinc/36/28/84/1069362884.db2.gz WLVZIEJQLYTCIW-XXBNENTESA-N 1 0 478.557 -0.210 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001159652406 1069362806 /nfs/dbraw/zinc/36/28/06/1069362806.db2.gz BRRLLJIGLXOYSH-OFVILXPXSA-N 1 0 478.553 -0.066 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001159652407 1069362863 /nfs/dbraw/zinc/36/28/63/1069362863.db2.gz BRRLLJIGLXOYSH-SQJMNOBHSA-N 1 0 478.553 -0.066 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1)C2 ZINC001159652762 1069362712 /nfs/dbraw/zinc/36/27/12/1069362712.db2.gz JXLZIOAEDMRYKC-GBXCKJPGSA-N 1 0 464.526 -0.083 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1)C2 ZINC001159652763 1069362822 /nfs/dbraw/zinc/36/28/22/1069362822.db2.gz JXLZIOAEDMRYKC-RDPSFJRHSA-N 1 0 464.526 -0.083 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)C2 ZINC001159653048 1069362743 /nfs/dbraw/zinc/36/27/43/1069362743.db2.gz NMEXJWOQEOEMOX-HSZRJFAPSA-N 1 0 464.530 -0.239 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)C2 ZINC001159653049 1069362835 /nfs/dbraw/zinc/36/28/35/1069362835.db2.gz NMEXJWOQEOEMOX-QHCPKHFHSA-N 1 0 464.530 -0.239 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001159653066 1069362875 /nfs/dbraw/zinc/36/28/75/1069362875.db2.gz NVZRPQUPKIHTJK-FDDCHVKYSA-N 1 0 474.562 -0.494 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001159653067 1069362791 /nfs/dbraw/zinc/36/27/91/1069362791.db2.gz NVZRPQUPKIHTJK-MBSDFSHPSA-N 1 0 474.562 -0.494 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])C2 ZINC001159653747 1069362777 /nfs/dbraw/zinc/36/27/77/1069362777.db2.gz VJXGFAAINZVMCC-FMKFIRIRSA-N 1 0 472.546 -0.442 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])C2 ZINC001159653750 1069362647 /nfs/dbraw/zinc/36/26/47/1069362647.db2.gz VJXGFAAINZVMCC-WIRVKHDMSA-N 1 0 472.546 -0.442 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C2 ZINC001159653974 1069362584 /nfs/dbraw/zinc/36/25/84/1069362584.db2.gz WOGBWEDSCYIQJI-OFVILXPXSA-N 1 0 478.553 -0.066 20 0 JBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C2 ZINC001159653975 1069363265 /nfs/dbraw/zinc/36/32/65/1069363265.db2.gz WOGBWEDSCYIQJI-SQJMNOBHSA-N 1 0 478.553 -0.066 20 0 JBADRO O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159654329 1069363331 /nfs/dbraw/zinc/36/33/31/1069363331.db2.gz KDYJTTSVNBBVFW-KRWDZBQOSA-N 1 0 452.519 -0.256 20 0 JBADRO O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159654330 1069363355 /nfs/dbraw/zinc/36/33/55/1069363355.db2.gz KDYJTTSVNBBVFW-QGZVFWFLSA-N 1 0 452.519 -0.256 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159654402 1069363517 /nfs/dbraw/zinc/36/35/17/1069363517.db2.gz LZHFJMSUSJKBRC-KRWDZBQOSA-N 1 0 468.518 -0.472 20 0 JBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159654795 1069363504 /nfs/dbraw/zinc/36/35/04/1069363504.db2.gz OKGRHEAVBQPOKA-INIZCTEOSA-N 1 0 453.507 -0.861 20 0 JBADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159654798 1069363509 /nfs/dbraw/zinc/36/35/09/1069363509.db2.gz OKGRHEAVBQPOKA-MRXNPFEDSA-N 1 0 453.507 -0.861 20 0 JBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159655216 1069363394 /nfs/dbraw/zinc/36/33/94/1069363394.db2.gz SOHCNYQPVVAARV-KRWDZBQOSA-N 1 0 463.560 -0.385 20 0 JBADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159655217 1069363527 /nfs/dbraw/zinc/36/35/27/1069363527.db2.gz SOHCNYQPVVAARV-QGZVFWFLSA-N 1 0 463.560 -0.385 20 0 JBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCn3cc(CNC(=O)c4cccn4C)nc3C2)COC1(C)C ZINC001159663224 1069363539 /nfs/dbraw/zinc/36/35/39/1069363539.db2.gz FXHFXOWXDNZVRE-YOEHRIQHSA-N 1 0 457.535 -0.196 20 0 JBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)CC2 ZINC001159663424 1069363432 /nfs/dbraw/zinc/36/34/32/1069363432.db2.gz IRNIIPVDKURYBD-KRWDZBQOSA-N 1 0 479.545 -0.179 20 0 JBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001159664021 1069363233 /nfs/dbraw/zinc/36/32/33/1069363233.db2.gz UAGWSCYUOIGSJH-KRWDZBQOSA-N 1 0 474.587 -0.092 20 0 JBADRO 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JBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159665288 1069364246 /nfs/dbraw/zinc/36/42/46/1069364246.db2.gz IXWKITGUWFPFGI-INIZCTEOSA-N 1 0 464.534 -0.569 20 0 JBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159665289 1069363862 /nfs/dbraw/zinc/36/38/62/1069363862.db2.gz IXWKITGUWFPFGI-MRXNPFEDSA-N 1 0 464.534 -0.569 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001159678224 1069364109 /nfs/dbraw/zinc/36/41/09/1069364109.db2.gz VOGMINKSCXAMLI-MJQMVNBJSA-N 1 0 475.546 -0.577 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC2CC1(C(=O)N1CCCC1)C2)C(=O)CF ZINC001159688174 1069364300 /nfs/dbraw/zinc/36/43/00/1069364300.db2.gz NGPRVCHZWBLZGV-MHDJOHJPSA-N 1 0 481.569 -0.499 20 0 JBADRO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc4ccc(O)cc4)C[C@@H]32)C1=O ZINC001159688450 1069364251 /nfs/dbraw/zinc/36/42/51/1069364251.db2.gz 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CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159771246 1069367633 /nfs/dbraw/zinc/36/76/33/1069367633.db2.gz ZRCGLIYLXWOYDI-OMZCGLGVSA-N 1 0 477.606 -0.330 20 0 JBADRO Cc1nc(CN2CC[C@@]3(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C3)C2=O)cs1 ZINC001159780536 1069368022 /nfs/dbraw/zinc/36/80/22/1069368022.db2.gz ASHJHLVQDGEUMJ-CQURBHOASA-N 1 0 464.592 -0.110 20 0 JBADRO Cc1nc(CN2CC[C@]3(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C3)C2=O)cs1 ZINC001159780537 1069368791 /nfs/dbraw/zinc/36/87/91/1069368791.db2.gz ASHJHLVQDGEUMJ-QSZISKGPSA-N 1 0 464.592 -0.110 20 0 JBADRO Cc1nc(CN2CC[C@]3(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C3)C2=O)cs1 ZINC001159780580 1069368408 /nfs/dbraw/zinc/36/84/08/1069368408.db2.gz BIDVAOPLZFOABX-LCMPSIMXSA-N 1 0 450.565 -0.500 20 0 JBADRO Cc1nc(CN2CC[C@@]3(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C3)C2=O)cs1 ZINC001159780581 1069368736 /nfs/dbraw/zinc/36/87/36/1069368736.db2.gz 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ZINC001159874850 1069372984 /nfs/dbraw/zinc/37/29/84/1069372984.db2.gz YBQXWFHHUJWUQH-JCGIZDLHSA-N 1 0 464.567 -0.521 20 0 JBADRO CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159874961 1069373083 /nfs/dbraw/zinc/37/30/83/1069373083.db2.gz YBQXWFHHUJWUQH-WBAXXEDZSA-N 1 0 464.567 -0.521 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159884986 1069373063 /nfs/dbraw/zinc/37/30/63/1069373063.db2.gz FRJJXPLVCSARCD-MZLICYQSSA-N 1 0 484.557 -0.573 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159884987 1069372921 /nfs/dbraw/zinc/37/29/21/1069372921.db2.gz FRJJXPLVCSARCD-SKPFHBQLSA-N 1 0 484.557 -0.573 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159886910 1069372711 /nfs/dbraw/zinc/37/27/11/1069372711.db2.gz PZCAMDLGENELQP-HOIFWPIMSA-N 1 0 459.551 -0.871 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159886911 1069373015 /nfs/dbraw/zinc/37/30/15/1069373015.db2.gz PZCAMDLGENELQP-PNLZDCPESA-N 1 0 459.551 -0.871 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905521 1069373048 /nfs/dbraw/zinc/37/30/48/1069373048.db2.gz ONOCDHZEFYTZDS-XBJMDHIQSA-N 1 0 470.526 -0.027 20 0 JBADRO Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@H]21 ZINC001159907284 1069372751 /nfs/dbraw/zinc/37/27/51/1069372751.db2.gz AQQZOYXZFTXOBN-JFIYKMOQSA-N 1 0 453.565 -0.198 20 0 JBADRO COCCN1CCO[C@H]2CN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)CC[C@H]2C1=O ZINC001159916358 1069372864 /nfs/dbraw/zinc/37/28/64/1069372864.db2.gz BBYKACDKGNAPNW-LZQZEXGQSA-N 1 0 458.519 -0.274 20 0 JBADRO COCCN1CCO[C@H]2CN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)CC[C@H]2C1=O ZINC001159916362 1069373767 /nfs/dbraw/zinc/37/37/67/1069373767.db2.gz BBYKACDKGNAPNW-MNEFBYGVSA-N 1 0 458.519 -0.274 20 0 JBADRO COCCN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC[C@H]2C1=O ZINC001159917222 1069373335 /nfs/dbraw/zinc/37/33/35/1069373335.db2.gz FQFFEFRIEZBTBQ-ILXRZTDVSA-N 1 0 452.474 -0.115 20 0 JBADRO COCCN1CCO[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)CC[C@H]2C1=O ZINC001159917870 1069373548 /nfs/dbraw/zinc/37/35/48/1069373548.db2.gz LDFLAOMJKVIYRL-XWSJACJDSA-N 1 0 468.595 -0.158 20 0 JBADRO Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@@H]21 ZINC001159918553 1069373648 /nfs/dbraw/zinc/37/36/48/1069373648.db2.gz VQTUBBUSICQCQZ-FPHDVWFLSA-N 1 0 460.535 -0.710 20 0 JBADRO COCCN1CCO[C@H]2CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCC[NH2+]3)CC[C@H]2C1=O ZINC001159918558 1069373423 /nfs/dbraw/zinc/37/34/23/1069373423.db2.gz VSQVRRGYASDJOC-FYQPLNBISA-N 1 0 495.621 -0.892 20 0 JBADRO Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C[C@@H]21 ZINC001159918567 1069373366 /nfs/dbraw/zinc/37/33/66/1069373366.db2.gz WEZYVYLBJXFQGD-JQQBCXFOSA-N 1 0 474.562 -0.320 20 0 JBADRO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C2 ZINC001159929317 1069373519 /nfs/dbraw/zinc/37/35/19/1069373519.db2.gz BUXZZDMNSMOPQS-AVRDEDQJSA-N 1 0 498.588 -0.917 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159929358 1069373483 /nfs/dbraw/zinc/37/34/83/1069373483.db2.gz HHSGFTNKWISLDL-CEXJFXJFSA-N 1 0 491.568 -0.485 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159929359 1069373748 /nfs/dbraw/zinc/37/37/48/1069373748.db2.gz HHSGFTNKWISLDL-TXBYWVTISA-N 1 0 491.568 -0.485 20 0 JBADRO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c3ccc(C)cc3)cn1)C2 ZINC001159929650 1069373579 /nfs/dbraw/zinc/37/35/79/1069373579.db2.gz LWOSYJLLJIXPLK-GOSISDBHSA-N 1 0 486.558 -0.432 20 0 JBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCn2c(CNC(C)=O)nnc2C1 ZINC001159930018 1069373627 /nfs/dbraw/zinc/37/36/27/1069373627.db2.gz OXHBJMNTIWEEFU-KBPBESRZSA-N 1 0 457.626 -0.425 20 0 JBADRO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C2 ZINC001159930281 1069373256 /nfs/dbraw/zinc/37/32/56/1069373256.db2.gz QRKGXJHYBPMMRI-XIRDDKMYSA-N 1 0 476.582 -0.875 20 0 JBADRO CC(=O)NCc1nnc2n1CCN(C(=O)c1cccc(S(=O)(=O)NC3CC[NH2+]CC3)c1)C2 ZINC001159930406 1069373664 /nfs/dbraw/zinc/37/36/64/1069373664.db2.gz TYZCMUKQEUNGDA-UHFFFAOYSA-N 1 0 461.548 -0.400 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2)C(N)=O ZINC001159930732 1069373605 /nfs/dbraw/zinc/37/36/05/1069373605.db2.gz SUIQGDORFALJCB-CMPZQBNXSA-N 1 0 465.530 -0.841 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2)C(N)=O ZINC001159930733 1069373731 /nfs/dbraw/zinc/37/37/31/1069373731.db2.gz SUIQGDORFALJCB-PXARDIRTSA-N 1 0 465.530 -0.841 20 0 JBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159930757 1069374333 /nfs/dbraw/zinc/37/43/33/1069374333.db2.gz TUEXJCGNIIZZBU-APWZRJJASA-N 1 0 453.540 -0.162 20 0 JBADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159930759 1069374452 /nfs/dbraw/zinc/37/44/52/1069374452.db2.gz TUEXJCGNIIZZBU-LPHOPBHVSA-N 1 0 453.540 -0.162 20 0 JBADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159930761 1069374430 /nfs/dbraw/zinc/37/44/30/1069374430.db2.gz TUEXJCGNIIZZBU-QFBILLFUSA-N 1 0 453.540 -0.162 20 0 JBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2 ZINC001159930763 1069374078 /nfs/dbraw/zinc/37/40/78/1069374078.db2.gz TUEXJCGNIIZZBU-VQIMIIECSA-N 1 0 453.540 -0.162 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159937687 1069374269 /nfs/dbraw/zinc/37/42/69/1069374269.db2.gz BKASHQCYYZGHIJ-QAGBHRCTSA-N 1 0 488.585 -0.339 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159937745 1069374193 /nfs/dbraw/zinc/37/41/93/1069374193.db2.gz CRHTXKMJZAUXBP-CSQLCUNESA-N 1 0 463.579 -0.637 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001159939446 1069374397 /nfs/dbraw/zinc/37/43/97/1069374397.db2.gz KITJIAAVMNPASH-YIIAGJHFSA-N 1 0 456.499 -0.361 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001159947432 1069374109 /nfs/dbraw/zinc/37/41/09/1069374109.db2.gz DYGGBSOYCOYCFB-GJYADEQXSA-N 1 0 452.515 -0.149 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001159947434 1069374361 /nfs/dbraw/zinc/37/43/61/1069374361.db2.gz DYGGBSOYCOYCFB-XBCBRRGRSA-N 1 0 452.515 -0.149 20 0 JBADRO Cn1ccc(CN2CCOCC23CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC3)n1 ZINC001159960993 1069374230 /nfs/dbraw/zinc/37/42/30/1069374230.db2.gz AWOKPBAYAZYKFN-SFHVURJKSA-N 1 0 450.584 -0.128 20 0 JBADRO Cn1ccc(CN2CCOCC23CCN(C(=O)[C@H]2Cn4nnnc4C24CC[NH2+]CC4)CC3)n1 ZINC001159961021 1069374138 /nfs/dbraw/zinc/37/41/38/1069374138.db2.gz BMSLUKCVFFNNMU-GOSISDBHSA-N 1 0 455.567 -0.449 20 0 JBADRO Cn1ccc(CN2CCOCC23CCN(C(=O)[C@@H]2Cn4nnnc4C24CC[NH2+]CC4)CC3)n1 ZINC001159961022 1069374253 /nfs/dbraw/zinc/37/42/53/1069374253.db2.gz BMSLUKCVFFNNMU-SFHVURJKSA-N 1 0 455.567 -0.449 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001159961316 1069374376 /nfs/dbraw/zinc/37/43/76/1069374376.db2.gz DUGRFYIWPUDKHC-HKUYNNGSSA-N 1 0 475.594 -0.932 20 0 JBADRO Cn1ccc(CN2CCOCC23CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)CC3)n1 ZINC001159961349 1069374441 /nfs/dbraw/zinc/37/44/41/1069374441.db2.gz GAJIXZLBWBDBSA-IBGZPJMESA-N 1 0 470.578 -0.059 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159979546 1069375000 /nfs/dbraw/zinc/37/50/00/1069375000.db2.gz BSDSQGXZTSTBDG-ICSRJNTNSA-N 1 0 467.530 -0.387 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159979570 1069375073 /nfs/dbraw/zinc/37/50/73/1069375073.db2.gz CLJUBHKYCSTPHR-STSQHVNTSA-N 1 0 474.562 -0.287 20 0 JBADRO O=C(CO[C@H]1CO[C@@]2(CCN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1)N1CCCC1 ZINC001159979851 1069374967 /nfs/dbraw/zinc/37/49/67/1069374967.db2.gz GTDSCPYZRKCXLQ-FGSXEWAUSA-N 1 0 458.563 -0.072 20 0 JBADRO O=C(CO[C@H]1CO[C@@]2(CCN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)C2)C1)N1CCCC1 ZINC001159979852 1069374776 /nfs/dbraw/zinc/37/47/76/1069374776.db2.gz GTDSCPYZRKCXLQ-HMFYCAOWSA-N 1 0 458.563 -0.072 20 0 JBADRO C[N@@H+]1C[C@@H](C(=O)N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159980265 1069374972 /nfs/dbraw/zinc/37/49/72/1069374972.db2.gz KZDHFQMJAFXOOO-MSYCTHLASA-N 1 0 450.580 -0.162 20 0 JBADRO C[N@@H+]1C[C@H](C(=O)N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)OC2(CC[NH2+]CC2)C1 ZINC001159980271 1069374940 /nfs/dbraw/zinc/37/49/40/1069374940.db2.gz KZDHFQMJAFXOOO-PWHSHALESA-N 1 0 450.580 -0.162 20 0 JBADRO O=C(CO[C@H]1CO[C@@]2(CCN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)C2)C1)N1CCCC1 ZINC001159980707 1069374912 /nfs/dbraw/zinc/37/49/12/1069374912.db2.gz PTAPHZOVBACIGP-LZJOCLMNSA-N 1 0 459.551 -0.677 20 0 JBADRO O=C(CO[C@H]1CO[C@@]2(CCN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)C2)C1)N1CCCC1 ZINC001159980708 1069375085 /nfs/dbraw/zinc/37/50/85/1069375085.db2.gz PTAPHZOVBACIGP-WWMYMODYSA-N 1 0 459.551 -0.677 20 0 JBADRO O=C(CO[C@H]1CO[C@@]2(CCN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1)N1CCCC1 ZINC001159981433 1069375080 /nfs/dbraw/zinc/37/50/80/1069375080.db2.gz YFXARPJOLGQTNV-FGSXEWAUSA-N 1 0 469.604 -0.200 20 0 JBADRO O=C(CO[C@H]1CO[C@@]2(CCN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C2)C1)N1CCCC1 ZINC001159981434 1069375053 /nfs/dbraw/zinc/37/50/53/1069375053.db2.gz YFXARPJOLGQTNV-HMFYCAOWSA-N 1 0 469.604 -0.200 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001159987193 1069375035 /nfs/dbraw/zinc/37/50/35/1069375035.db2.gz FEQPMAIHHCVISZ-JLHGSKIFSA-N 1 0 454.568 -0.356 20 0 JBADRO Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@H]21 ZINC001159987618 1069375018 /nfs/dbraw/zinc/37/50/18/1069375018.db2.gz OEOJFUXSSGNXPN-FZDIXFNVSA-N 1 0 462.551 -0.843 20 0 JBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)COC1(C)C ZINC001159988813 1069374834 /nfs/dbraw/zinc/37/48/34/1069374834.db2.gz XAYHNNLTVKQKJA-GEYWLOKFSA-N 1 0 452.552 -0.304 20 0 JBADRO Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)C[C@H]21 ZINC001159988864 1069374798 /nfs/dbraw/zinc/37/47/98/1069374798.db2.gz YSGAREIJDPAQEG-KJJMTIBFSA-N 1 0 487.557 -0.544 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1)C(N)=O ZINC001159997901 1069375592 /nfs/dbraw/zinc/37/55/92/1069375592.db2.gz BXAPNNNGHBMMMS-FUHWJXTLSA-N 1 0 458.563 -0.923 20 0 JBADRO 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[NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160100843 1069380925 /nfs/dbraw/zinc/38/09/25/1069380925.db2.gz AXHOQGBSADVKJK-MSOLQXFVSA-N 1 0 474.562 -0.430 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160100844 1069380781 /nfs/dbraw/zinc/38/07/81/1069380781.db2.gz AXHOQGBSADVKJK-ROUUACIJSA-N 1 0 474.562 -0.430 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160102123 1069380954 /nfs/dbraw/zinc/38/09/54/1069380954.db2.gz IXBPMVPRUBJRFL-IRXDYDNUSA-N 1 0 454.568 -0.499 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160102135 1069380722 /nfs/dbraw/zinc/38/07/22/1069380722.db2.gz IXBPMVPRUBJRFL-SJORKVTESA-N 1 0 454.568 -0.499 20 0 JBADRO O=C([C@H]1COC2(C1)CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2)N1CCOCC1 ZINC001160102265 1069380876 /nfs/dbraw/zinc/38/08/76/1069380876.db2.gz JYKOYCGAYKUNEH-MSOLQXFVSA-N 1 0 469.604 -0.343 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[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001160119775 1069382570 /nfs/dbraw/zinc/38/25/70/1069382570.db2.gz IOZBGPKSUQEXDE-DSLXNQLJSA-N 1 0 456.499 -0.295 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160128019 1069382250 /nfs/dbraw/zinc/38/22/50/1069382250.db2.gz IWROREIHGOSNBF-HKUYNNGSSA-N 1 0 454.487 -0.443 20 0 JBADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)O1 ZINC001160138066 1069382563 /nfs/dbraw/zinc/38/25/63/1069382563.db2.gz KXPZHVISMNEBDR-MANSERQUSA-N 1 0 466.546 -0.264 20 0 JBADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)O1 ZINC001160138071 1069382446 /nfs/dbraw/zinc/38/24/46/1069382446.db2.gz KXPZHVISMNEBDR-MKXGPGLRSA-N 1 0 466.546 -0.264 20 0 JBADRO CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001160148052 1069382397 /nfs/dbraw/zinc/38/23/97/1069382397.db2.gz 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CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)CC[C@@H]21 ZINC001160172280 1069383237 /nfs/dbraw/zinc/38/32/37/1069383237.db2.gz AWDPKXAQYGPQEA-XWSJACJDSA-N 1 0 453.551 -0.341 20 0 JBADRO CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001160172318 1069383088 /nfs/dbraw/zinc/38/30/88/1069383088.db2.gz BPIVJEPIXJJXLE-SFYKDHMMSA-N 1 0 475.615 -0.256 20 0 JBADRO CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001160172319 1069383170 /nfs/dbraw/zinc/38/31/70/1069383170.db2.gz BPIVJEPIXJJXLE-YDHSSHFGSA-N 1 0 475.615 -0.256 20 0 JBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C)C2 ZINC001160172853 1069383057 /nfs/dbraw/zinc/38/30/57/1069383057.db2.gz HUQYSQMJQGSMBW-MZLICYQSSA-N 1 0 473.574 -0.258 20 0 JBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C)C2 ZINC001160172856 1069383204 /nfs/dbraw/zinc/38/32/04/1069383204.db2.gz 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CC(=O)N1CCC[C@@]2(C1)CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CCO2 ZINC001160181092 1069383073 /nfs/dbraw/zinc/38/30/73/1069383073.db2.gz YVKSQTZLPMEDOM-RWNBKVOJSA-N 1 0 499.584 -0.872 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160190872 1069382939 /nfs/dbraw/zinc/38/29/39/1069382939.db2.gz FNRGSNUZKRROMC-QIBQCXCESA-N 1 0 458.559 -0.108 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C[C@@]2(CCCC(=O)N2)C1 ZINC001160191138 1069383829 /nfs/dbraw/zinc/38/38/29/1069383829.db2.gz HUMPCNSEYOZCQA-GAJHUEQPSA-N 1 0 473.578 -0.320 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C[C@]2(CCCC(=O)N2)C1 ZINC001160191139 1069383520 /nfs/dbraw/zinc/38/35/20/1069383520.db2.gz HUMPCNSEYOZCQA-SBUREZEXSA-N 1 0 473.578 -0.320 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160191410 1069383647 /nfs/dbraw/zinc/38/36/47/1069383647.db2.gz MCFKUSNYOLITEX-HTAPYJJXSA-N 1 0 457.579 -0.105 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@]2(CCCC(=O)N2)C1 ZINC001160191411 1069383803 /nfs/dbraw/zinc/38/38/03/1069383803.db2.gz MCFKUSNYOLITEX-JTSKRJEESA-N 1 0 457.579 -0.105 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160191612 1069383814 /nfs/dbraw/zinc/38/38/14/1069383814.db2.gz MCFKUSNYOLITEX-VGOFRKELSA-N 1 0 457.579 -0.105 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@]2(CCCC(=O)N2)C1 ZINC001160191613 1069383633 /nfs/dbraw/zinc/38/36/33/1069383633.db2.gz MCFKUSNYOLITEX-VGSWGCGISA-N 1 0 457.579 -0.105 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160191791 1069383725 /nfs/dbraw/zinc/38/37/25/1069383725.db2.gz ONIYYJWNJIAVQF-HRAATJIYSA-N 1 0 458.567 -0.710 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@]2(CCCC(=O)N2)C1 ZINC001160191792 1069383794 /nfs/dbraw/zinc/38/37/94/1069383794.db2.gz ONIYYJWNJIAVQF-IERDGZPVSA-N 1 0 458.567 -0.710 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160191793 1069383693 /nfs/dbraw/zinc/38/36/93/1069383693.db2.gz ONIYYJWNJIAVQF-IIBYNOLFSA-N 1 0 458.567 -0.710 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C[C@]2(CCCC(=O)N2)C1 ZINC001160191794 1069383554 /nfs/dbraw/zinc/38/35/54/1069383554.db2.gz ONIYYJWNJIAVQF-KKSFZXQISA-N 1 0 458.567 -0.710 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192277 1069383750 /nfs/dbraw/zinc/38/37/50/1069383750.db2.gz UFODBOBWLARPHD-HTAPYJJXSA-N 1 0 468.620 -0.234 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@]2(CCCC(=O)N2)C1 ZINC001160192278 1069383581 /nfs/dbraw/zinc/38/35/81/1069383581.db2.gz UFODBOBWLARPHD-JTSKRJEESA-N 1 0 468.620 -0.234 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192279 1069383822 /nfs/dbraw/zinc/38/38/22/1069383822.db2.gz UFODBOBWLARPHD-VGOFRKELSA-N 1 0 468.620 -0.234 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@]2(CCCC(=O)N2)C1 ZINC001160192280 1069383738 /nfs/dbraw/zinc/38/37/38/1069383738.db2.gz UFODBOBWLARPHD-VGSWGCGISA-N 1 0 468.620 -0.234 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192494 1069383471 /nfs/dbraw/zinc/38/34/71/1069383471.db2.gz AJJDBNFNWRRHKE-ROUUACIJSA-N 1 0 468.518 -0.992 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])C[C@@]2(CCCC(=O)N2)C1 ZINC001160192714 1069383666 /nfs/dbraw/zinc/38/36/66/1069383666.db2.gz FFTOURDRCZRTQY-PONJGIIJSA-N 1 0 451.568 -0.337 20 0 JBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])C[C@]2(CCCC(=O)N2)C1 ZINC001160192715 1069383777 /nfs/dbraw/zinc/38/37/77/1069383777.db2.gz FFTOURDRCZRTQY-WCJKSRRJSA-N 1 0 451.568 -0.337 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193601 1069384331 /nfs/dbraw/zinc/38/43/31/1069384331.db2.gz PMDRJIMDABXIRU-ROUUACIJSA-N 1 0 485.593 -0.346 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@H]2c3ccccc3N(S(C)(=O)=O)C[C@@H]2C1 ZINC001160203563 1069384518 /nfs/dbraw/zinc/38/45/18/1069384518.db2.gz XXEKBDIWZNXZLB-BVYOLEPJSA-N 1 0 477.587 -0.537 20 0 JBADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC001160211223 1069384555 /nfs/dbraw/zinc/38/45/55/1069384555.db2.gz HETDQFXCLFCCRO-PNYFIKQUSA-N 1 0 454.531 -0.406 20 0 JBADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001160212397 1069384223 /nfs/dbraw/zinc/38/42/23/1069384223.db2.gz MITQGQUEZWLHRE-PNYFIKQUSA-N 1 0 454.531 -0.406 20 0 JBADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)[C@@H]2CCCO[C@@H]21 ZINC001160212754 1069384163 /nfs/dbraw/zinc/38/41/63/1069384163.db2.gz PJPUIBXYQXVJDO-DZJNRPSUSA-N 1 0 470.534 -0.764 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@@H]2C(=O)N(c3cnn(C)c3)C[C@@H]2C1 ZINC001160216625 1069384511 /nfs/dbraw/zinc/38/45/11/1069384511.db2.gz FLBAECQPFPLLRO-WNHJNPCNSA-N 1 0 473.578 -0.760 20 0 JBADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]2CCCO[C@@H]21 ZINC001160217262 1069384458 /nfs/dbraw/zinc/38/44/58/1069384458.db2.gz MJHWOFSVOWKXGO-LJIGWXMPSA-N 1 0 450.540 -0.833 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1C[C@@H]2C(=O)N(c3cnn(C)c3)C[C@@H]2C1 ZINC001160219167 1069384543 /nfs/dbraw/zinc/38/45/43/1069384543.db2.gz VCBBFMJAXINONB-LPBINRMYSA-N 1 0 487.605 -0.290 20 0 JBADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)[C@@H]2CCCO[C@@H]21 ZINC001160219177 1069384417 /nfs/dbraw/zinc/38/44/17/1069384417.db2.gz VHHFDWKFKUQIKO-JCHJZTRSSA-N 1 0 480.529 -0.074 20 0 JBADRO Cn1ccnc1C(=O)N[C@H]1CN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)[C@@H]2CCCO[C@@H]21 ZINC001160219179 1069384441 /nfs/dbraw/zinc/38/44/41/1069384441.db2.gz VHHFDWKFKUQIKO-WZGPROSRSA-N 1 0 480.529 -0.074 20 0 JBADRO CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])C2)O1 ZINC001160226876 1069384078 /nfs/dbraw/zinc/38/40/78/1069384078.db2.gz CDKWQCNNWOIHNW-DWKCODDLSA-N 1 0 465.595 -0.247 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1)C(N)=O ZINC001160230299 1069384383 /nfs/dbraw/zinc/38/43/83/1069384383.db2.gz JINPCRJEDSROEI-IQUTYRLHSA-N 1 0 453.494 -0.362 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1)C(N)=O ZINC001160230300 1069384300 /nfs/dbraw/zinc/38/43/00/1069384300.db2.gz JINPCRJEDSROEI-KSMMKXTCSA-N 1 0 453.494 -0.362 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160231765 1069384478 /nfs/dbraw/zinc/38/44/78/1069384478.db2.gz UDWDRRBUAFTOAC-CKJXQJPGSA-N 1 0 479.532 -0.005 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160231766 1069384265 /nfs/dbraw/zinc/38/42/65/1069384265.db2.gz UDWDRRBUAFTOAC-QYWGDWMGSA-N 1 0 479.532 -0.005 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001160233193 1069384491 /nfs/dbraw/zinc/38/44/91/1069384491.db2.gz ALXILNBBCPSBRU-IHPCNDPISA-N 1 0 483.573 -0.092 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001160233194 1069384533 /nfs/dbraw/zinc/38/45/33/1069384533.db2.gz ALXILNBBCPSBRU-SXLOBPIMSA-N 1 0 483.573 -0.092 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1)C(N)=O ZINC001160236316 1069384126 /nfs/dbraw/zinc/38/41/26/1069384126.db2.gz PZDPDJMFVZNPQE-CGTJXYLNSA-N 1 0 457.535 -0.449 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1)C(N)=O ZINC001160236318 1069384190 /nfs/dbraw/zinc/38/41/90/1069384190.db2.gz PZDPDJMFVZNPQE-RYQLBKOJSA-N 1 0 457.535 -0.449 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1c([C@@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257577 1069384990 /nfs/dbraw/zinc/38/49/90/1069384990.db2.gz QZYSWRLOAGDTAX-JJTQGNQFSA-N 1 0 485.545 -0.668 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1c([C@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257578 1069385175 /nfs/dbraw/zinc/38/51/75/1069385175.db2.gz QZYSWRLOAGDTAX-XSUVRHCNSA-N 1 0 485.545 -0.668 20 0 JBADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]12 ZINC001160259630 1069384873 /nfs/dbraw/zinc/38/48/73/1069384873.db2.gz IIOMBUORQCJSLD-BJLQDIEVSA-N 1 0 467.613 -0.033 20 0 JBADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@@H]12 ZINC001160259631 1069385129 /nfs/dbraw/zinc/38/51/29/1069385129.db2.gz IIOMBUORQCJSLD-GGPKGHCWSA-N 1 0 467.613 -0.033 20 0 JBADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]12 ZINC001160259632 1069385163 /nfs/dbraw/zinc/38/51/63/1069385163.db2.gz IIOMBUORQCJSLD-HBFSDRIKSA-N 1 0 467.613 -0.033 20 0 JBADRO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@@H]12 ZINC001160259633 1069385092 /nfs/dbraw/zinc/38/50/92/1069385092.db2.gz IIOMBUORQCJSLD-NSHGMRRFSA-N 1 0 467.613 -0.033 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1)C(N)=O ZINC001160260660 1069385145 /nfs/dbraw/zinc/38/51/45/1069385145.db2.gz NQMYSAXGROYEID-BREDGVMVSA-N 1 0 479.603 -0.712 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1)C(N)=O ZINC001160260662 1069385035 /nfs/dbraw/zinc/38/50/35/1069385035.db2.gz NQMYSAXGROYEID-KANGHSEISA-N 1 0 479.603 -0.712 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1)C(N)=O ZINC001160260665 1069385084 /nfs/dbraw/zinc/38/50/84/1069385084.db2.gz NQMYSAXGROYEID-PBWVOLNLSA-N 1 0 479.603 -0.712 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1)C(N)=O ZINC001160260667 1069385113 /nfs/dbraw/zinc/38/51/13/1069385113.db2.gz NQMYSAXGROYEID-VXCZRNDOSA-N 1 0 479.603 -0.712 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)CC2 ZINC001160265733 1069384926 /nfs/dbraw/zinc/38/49/26/1069384926.db2.gz CQFXXAJGXZEDEP-KRWDZBQOSA-N 1 0 469.546 -0.809 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001160265736 1069385169 /nfs/dbraw/zinc/38/51/69/1069385169.db2.gz CRZLFVFZJLUMLH-PMACEKPBSA-N 1 0 463.538 -0.024 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001160265737 1069385021 /nfs/dbraw/zinc/38/50/21/1069385021.db2.gz CRZLFVFZJLUMLH-UXHICEINSA-N 1 0 463.538 -0.024 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@H]1NC3=O)CC2 ZINC001160265738 1069385140 /nfs/dbraw/zinc/38/51/40/1069385140.db2.gz CRZLFVFZJLUMLH-VQTJNVASSA-N 1 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464.588 -0.722 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001160267732 1069385610 /nfs/dbraw/zinc/38/56/10/1069385610.db2.gz SEWYDXMUVLVUMN-QGZVFWFLSA-N 1 0 464.588 -0.722 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001160267838 1069385779 /nfs/dbraw/zinc/38/57/79/1069385779.db2.gz VHXJFHQTNQJVOY-AVRWGWEMSA-N 1 0 463.538 -0.027 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001160267839 1069385728 /nfs/dbraw/zinc/38/57/28/1069385728.db2.gz VHXJFHQTNQJVOY-BVZFJXPGSA-N 1 0 463.538 -0.027 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001160267840 1069385582 /nfs/dbraw/zinc/38/55/82/1069385582.db2.gz VHXJFHQTNQJVOY-CJAUYULYSA-N 1 0 463.538 -0.027 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001160267841 1069385775 /nfs/dbraw/zinc/38/57/75/1069385775.db2.gz VHXJFHQTNQJVOY-IQGLISFBSA-N 1 0 463.538 -0.027 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC001160268086 1069385746 /nfs/dbraw/zinc/38/57/46/1069385746.db2.gz WZMLCNLOCSDPSS-IBGZPJMESA-N 1 0 453.543 -0.450 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)CC2 ZINC001160268151 1069385509 /nfs/dbraw/zinc/38/55/09/1069385509.db2.gz ZBGYIKCFFDGAKT-FQEVSTJZSA-N 1 0 479.541 -0.119 20 0 JBADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)CC2 ZINC001160268152 1069385669 /nfs/dbraw/zinc/38/56/69/1069385669.db2.gz ZBGYIKCFFDGAKT-HXUWFJFHSA-N 1 0 479.541 -0.119 20 0 JBADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001160270372 1069385620 /nfs/dbraw/zinc/38/56/20/1069385620.db2.gz DRWJJJRPSXZDEM-BZSNNMDCSA-N 1 0 465.595 -0.436 20 0 JBADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001160270373 1069385760 /nfs/dbraw/zinc/38/57/60/1069385760.db2.gz DRWJJJRPSXZDEM-KSZLIROESA-N 1 0 465.595 -0.436 20 0 JBADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001160271230 1069385639 /nfs/dbraw/zinc/38/56/39/1069385639.db2.gz OJOSKKPWYBESRA-ACRUOGEOSA-N 1 0 490.601 -0.137 20 0 JBADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001160271231 1069385734 /nfs/dbraw/zinc/38/57/34/1069385734.db2.gz OJOSKKPWYBESRA-HKBOAZHASA-N 1 0 490.601 -0.137 20 0 JBADRO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)[C@@H]2C1 ZINC001160295442 1069385542 /nfs/dbraw/zinc/38/55/42/1069385542.db2.gz NIXYCTJZPHUCOU-AEEMCCEDSA-N 1 0 462.547 -0.730 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001160299614 1069385787 /nfs/dbraw/zinc/38/57/87/1069385787.db2.gz JCAGCKWEKDIVND-HTAPYJJXSA-N 1 0 454.531 -0.049 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001160299615 1069385681 /nfs/dbraw/zinc/38/56/81/1069385681.db2.gz JCAGCKWEKDIVND-JTSKRJEESA-N 1 0 454.531 -0.049 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001160299616 1069386237 /nfs/dbraw/zinc/38/62/37/1069386237.db2.gz JCAGCKWEKDIVND-VGOFRKELSA-N 1 0 454.531 -0.049 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001160299617 1069386387 /nfs/dbraw/zinc/38/63/87/1069386387.db2.gz JCAGCKWEKDIVND-VGSWGCGISA-N 1 0 454.531 -0.049 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160300092 1069386180 /nfs/dbraw/zinc/38/61/80/1069386180.db2.gz MDCRETVXADHNRW-JXFKEZNVSA-N 1 0 461.544 -0.388 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160300093 1069386299 /nfs/dbraw/zinc/38/62/99/1069386299.db2.gz MDCRETVXADHNRW-OXJNMPFZSA-N 1 0 461.544 -0.388 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160300094 1069386362 /nfs/dbraw/zinc/38/63/62/1069386362.db2.gz MDCRETVXADHNRW-OXQOHEQNSA-N 1 0 461.544 -0.388 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160300095 1069386128 /nfs/dbraw/zinc/38/61/28/1069386128.db2.gz MDCRETVXADHNRW-UZLBHIALSA-N 1 0 461.544 -0.388 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160300324 1069386160 /nfs/dbraw/zinc/38/61/60/1069386160.db2.gz OPXMNOWOMCSVTA-HTAPYJJXSA-N 1 0 479.545 -0.227 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160300325 1069386359 /nfs/dbraw/zinc/38/63/59/1069386359.db2.gz OPXMNOWOMCSVTA-JTSKRJEESA-N 1 0 479.545 -0.227 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160300326 1069386382 /nfs/dbraw/zinc/38/63/82/1069386382.db2.gz OPXMNOWOMCSVTA-VGOFRKELSA-N 1 0 479.545 -0.227 20 0 JBADRO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)C2 ZINC001160300327 1069386271 /nfs/dbraw/zinc/38/62/71/1069386271.db2.gz OPXMNOWOMCSVTA-VGSWGCGISA-N 1 0 479.545 -0.227 20 0 JBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300481 1069386376 /nfs/dbraw/zinc/38/63/76/1069386376.db2.gz PHUZCPQJXKTMKE-IBGZPJMESA-N 1 0 452.537 -0.944 20 0 JBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300482 1069386344 /nfs/dbraw/zinc/38/63/44/1069386344.db2.gz PHUZCPQJXKTMKE-LJQANCHMSA-N 1 0 452.537 -0.944 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300559 1069386333 /nfs/dbraw/zinc/38/63/33/1069386333.db2.gz QCKQCGZKGOZOID-TVVUZDRGSA-N 1 0 499.572 -0.710 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160300561 1069386348 /nfs/dbraw/zinc/38/63/48/1069386348.db2.gz QCKQCGZKGOZOID-UXSWERMXSA-N 1 0 499.572 -0.710 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160310272 1069386286 /nfs/dbraw/zinc/38/62/86/1069386286.db2.gz FWOOPVHUOXWUKH-IIOOSLMMSA-N 1 0 485.541 -0.175 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160310273 1069386366 /nfs/dbraw/zinc/38/63/66/1069386366.db2.gz FWOOPVHUOXWUKH-OWWADGOUSA-N 1 0 485.541 -0.175 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1)C(N)=O ZINC001160310309 1069386370 /nfs/dbraw/zinc/38/63/70/1069386370.db2.gz GMOHBGPLMMFWST-IEROGBPDSA-N 1 0 459.503 -0.532 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1)C(N)=O ZINC001160310313 1069386308 /nfs/dbraw/zinc/38/63/08/1069386308.db2.gz GMOHBGPLMMFWST-ZIACGZRISA-N 1 0 459.503 -0.532 20 0 JBADRO CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])n1 ZINC001160324328 1069386254 /nfs/dbraw/zinc/38/62/54/1069386254.db2.gz UJJNPIQVFDLHCN-ULQDDVLXSA-N 1 0 461.567 -0.323 20 0 JBADRO CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])n1 ZINC001160324335 1069386209 /nfs/dbraw/zinc/38/62/09/1069386209.db2.gz UJJNPIQVFDLHCN-YESZJQIVSA-N 1 0 461.567 -0.323 20 0 JBADRO COCCO[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)[C@H]1Cc1cnn(C)c1 ZINC001160324947 1069386944 /nfs/dbraw/zinc/38/69/44/1069386944.db2.gz FGEPDMNMFKOFQF-IHPCNDPISA-N 1 0 459.551 -0.077 20 0 JBADRO COCCO[C@H]1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@H]1Cc1cnn(C)c1 ZINC001160325527 1069386929 /nfs/dbraw/zinc/38/69/29/1069386929.db2.gz KTXRJYANJNMJEZ-CMOCDZPBSA-N 1 0 489.573 -0.652 20 0 JBADRO COCCO[C@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001160326590 1069386977 /nfs/dbraw/zinc/38/69/77/1069386977.db2.gz SDZXYJNMWIDIML-WNHJNPCNSA-N 1 0 464.567 -0.951 20 0 JBADRO CC(=O)NCc1ncn2c1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CCC2 ZINC001160334443 1069386705 /nfs/dbraw/zinc/38/67/05/1069386705.db2.gz AMBHAMKIPNKPBO-HKUYNNGSSA-N 1 0 458.519 -0.996 20 0 JBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160334846 1069386913 /nfs/dbraw/zinc/38/69/13/1069386913.db2.gz GRRSTTIUQNSPBV-AEFFLSMTSA-N 1 0 476.545 -0.396 20 0 JBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160334850 1069386958 /nfs/dbraw/zinc/38/69/58/1069386958.db2.gz GRRSTTIUQNSPBV-FUHWJXTLSA-N 1 0 476.545 -0.396 20 0 JBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160334853 1069387016 /nfs/dbraw/zinc/38/70/16/1069387016.db2.gz GRRSTTIUQNSPBV-SJLPKXTDSA-N 1 0 476.545 -0.396 20 0 JBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160334855 1069386885 /nfs/dbraw/zinc/38/68/85/1069386885.db2.gz GRRSTTIUQNSPBV-WMZOPIPTSA-N 1 0 476.545 -0.396 20 0 JBADRO Cc1nc(CN2CCO[C@@H]3CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@@H]3C2)cs1 ZINC001160335128 1069386632 /nfs/dbraw/zinc/38/66/32/1069386632.db2.gz KJXCRJXNIIUGOJ-JSQNDZKTSA-N 1 0 452.581 -0.792 20 0 JBADRO Cc1nc(CN2CCO[C@@H]3CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[C@@H]3C2)cs1 ZINC001160335380 1069386843 /nfs/dbraw/zinc/38/68/43/1069386843.db2.gz NLINBCAMFDDFKH-PAYONLEZSA-N 1 0 466.608 -0.402 20 0 JBADRO CC(=O)NCc1ncn2c1CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CCC2 ZINC001160335640 1069386828 /nfs/dbraw/zinc/38/68/28/1069386828.db2.gz RLDFNDMQHNRDPI-ROUUACIJSA-N 1 0 475.594 -0.349 20 0 JBADRO Cc1nc(CN2CCO[C@@H]3CN(C(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)C[NH3+])CC[C@@H]3C2)cs1 ZINC001160335812 1069386989 /nfs/dbraw/zinc/38/69/89/1069386989.db2.gz UOVNUDFZCOXXRD-MFHCWRBVSA-N 1 0 492.646 -0.045 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160342405 1069386593 /nfs/dbraw/zinc/38/65/93/1069386593.db2.gz AKDHKAGVBXMSMY-AEFFLSMTSA-N 1 0 492.544 -0.611 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160342406 1069386895 /nfs/dbraw/zinc/38/68/95/1069386895.db2.gz AKDHKAGVBXMSMY-WMZOPIPTSA-N 1 0 492.544 -0.611 20 0 JBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1)c1ccnnc1 ZINC001160343268 1069387618 /nfs/dbraw/zinc/38/76/18/1069387618.db2.gz GTKNFUQTYZUNJA-AEFFLSMTSA-N 1 0 487.586 -0.524 20 0 JBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1)c1ccnnc1 ZINC001160343271 1069387586 /nfs/dbraw/zinc/38/75/86/1069387586.db2.gz GTKNFUQTYZUNJA-FUHWJXTLSA-N 1 0 487.586 -0.524 20 0 JBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1)c1ccnnc1 ZINC001160343273 1069387329 /nfs/dbraw/zinc/38/73/29/1069387329.db2.gz GTKNFUQTYZUNJA-SJLPKXTDSA-N 1 0 487.586 -0.524 20 0 JBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1)c1ccnnc1 ZINC001160343276 1069387642 /nfs/dbraw/zinc/38/76/42/1069387642.db2.gz GTKNFUQTYZUNJA-WMZOPIPTSA-N 1 0 487.586 -0.524 20 0 JBADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343364 1069387452 /nfs/dbraw/zinc/38/74/52/1069387452.db2.gz IDFVFQMJKJBUTK-BQFCYCMXSA-N 1 0 456.551 -0.060 20 0 JBADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343365 1069387630 /nfs/dbraw/zinc/38/76/30/1069387630.db2.gz IDFVFQMJKJBUTK-JZXOWHBKSA-N 1 0 456.551 -0.060 20 0 JBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160343382 1069387506 /nfs/dbraw/zinc/38/75/06/1069387506.db2.gz IHVUVLYCLHUTDS-DOTOQJQBSA-N 1 0 452.519 -0.823 20 0 JBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160343383 1069387308 /nfs/dbraw/zinc/38/73/08/1069387308.db2.gz IHVUVLYCLHUTDS-NVXWUHKLSA-N 1 0 452.519 -0.823 20 0 JBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160343384 1069387293 /nfs/dbraw/zinc/38/72/93/1069387293.db2.gz IHVUVLYCLHUTDS-RDJZCZTQSA-N 1 0 452.519 -0.823 20 0 JBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160343385 1069387522 /nfs/dbraw/zinc/38/75/22/1069387522.db2.gz IHVUVLYCLHUTDS-WBVHZDCISA-N 1 0 452.519 -0.823 20 0 JBADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343420 1069387417 /nfs/dbraw/zinc/38/74/17/1069387417.db2.gz JBJJNBDUTDIGSP-ICSRJNTNSA-N 1 0 476.541 -0.252 20 0 JBADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343421 1069387594 /nfs/dbraw/zinc/38/75/94/1069387594.db2.gz JBJJNBDUTDIGSP-QUCCMNQESA-N 1 0 476.541 -0.252 20 0 JBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C1)c1ccnnc1 ZINC001160343448 1069387649 /nfs/dbraw/zinc/38/76/49/1069387649.db2.gz JPJOVDMQILTQHW-NEWSRXKRSA-N 1 0 466.546 -0.196 20 0 JBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)C1)c1ccnnc1 ZINC001160343449 1069387395 /nfs/dbraw/zinc/38/73/95/1069387395.db2.gz JPJOVDMQILTQHW-WDSOQIARSA-N 1 0 466.546 -0.196 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343508 1069387251 /nfs/dbraw/zinc/38/72/51/1069387251.db2.gz KOSHIYXDJGROGG-HTAPYJJXSA-N 1 0 470.534 -0.762 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343509 1069387560 /nfs/dbraw/zinc/38/75/60/1069387560.db2.gz KOSHIYXDJGROGG-JTSKRJEESA-N 1 0 470.534 -0.762 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343961 1069387536 /nfs/dbraw/zinc/38/75/36/1069387536.db2.gz NSRKMWNXKWVCLV-RDJZCZTQSA-N 1 0 472.550 -0.680 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343963 1069387355 /nfs/dbraw/zinc/38/73/55/1069387355.db2.gz NSRKMWNXKWVCLV-WBVHZDCISA-N 1 0 472.550 -0.680 20 0 JBADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343980 1069387488 /nfs/dbraw/zinc/38/74/88/1069387488.db2.gz NVVGHPXXYMHMFC-DYESRHJHSA-N 1 0 465.576 -0.675 20 0 JBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343981 1069387582 /nfs/dbraw/zinc/38/75/82/1069387582.db2.gz NVVGHPXXYMHMFC-LAUBAEHRSA-N 1 0 465.576 -0.675 20 0 JBADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343982 1069388244 /nfs/dbraw/zinc/38/82/44/1069388244.db2.gz NVVGHPXXYMHMFC-UTKZUKDTSA-N 1 0 465.576 -0.675 20 0 JBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343983 1069387967 /nfs/dbraw/zinc/38/79/67/1069387967.db2.gz NVVGHPXXYMHMFC-UWJYYQICSA-N 1 0 465.576 -0.675 20 0 JBADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)cc1 ZINC001160344508 1069388039 /nfs/dbraw/zinc/38/80/39/1069388039.db2.gz QVUBIQWRPBNKCI-APWZRJJASA-N 1 0 462.514 -0.270 20 0 JBADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)cc1 ZINC001160344509 1069388265 /nfs/dbraw/zinc/38/82/65/1069388265.db2.gz QVUBIQWRPBNKCI-LPHOPBHVSA-N 1 0 462.514 -0.270 20 0 JBADRO O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344510 1069388256 /nfs/dbraw/zinc/38/82/56/1069388256.db2.gz QXXLTPKKXUHDCJ-DYESRHJHSA-N 1 0 454.535 -0.547 20 0 JBADRO O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344511 1069388167 /nfs/dbraw/zinc/38/81/67/1069388167.db2.gz QXXLTPKKXUHDCJ-LAUBAEHRSA-N 1 0 454.535 -0.547 20 0 JBADRO O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344512 1069387955 /nfs/dbraw/zinc/38/79/55/1069387955.db2.gz QXXLTPKKXUHDCJ-UTKZUKDTSA-N 1 0 454.535 -0.547 20 0 JBADRO O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344513 1069388251 /nfs/dbraw/zinc/38/82/51/1069388251.db2.gz QXXLTPKKXUHDCJ-UWJYYQICSA-N 1 0 454.535 -0.547 20 0 JBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)COC1(C)C ZINC001160344624 1069387982 /nfs/dbraw/zinc/38/79/82/1069387982.db2.gz SCGGRDJSUCSENF-UXLLHSPISA-N 1 0 470.534 -0.628 20 0 JBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)COC1(C)C ZINC001160344625 1069388227 /nfs/dbraw/zinc/38/82/27/1069388227.db2.gz SCGGRDJSUCSENF-ZOBUZTSGSA-N 1 0 470.534 -0.628 20 0 JBADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352589 1069388274 /nfs/dbraw/zinc/38/82/74/1069388274.db2.gz GVJBZYQGDJKYNC-CVDCTZTESA-N 1 0 454.531 -0.403 20 0 JBADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352591 1069388140 /nfs/dbraw/zinc/38/81/40/1069388140.db2.gz GVJBZYQGDJKYNC-WMZHIEFXSA-N 1 0 454.531 -0.403 20 0 JBADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160353473 1069388678 /nfs/dbraw/zinc/38/86/78/1069388678.db2.gz OPZQMOJUEOGZOG-CVDCTZTESA-N 1 0 454.531 -0.403 20 0 JBADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160353475 1069388960 /nfs/dbraw/zinc/38/89/60/1069388960.db2.gz OPZQMOJUEOGZOG-WMZHIEFXSA-N 1 0 454.531 -0.403 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160354912 1069388821 /nfs/dbraw/zinc/38/88/21/1069388821.db2.gz XLUBWTVVNPQGEC-HRAATJIYSA-N 1 0 450.540 -0.831 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160354913 1069389031 /nfs/dbraw/zinc/38/90/31/1069389031.db2.gz XLUBWTVVNPQGEC-KKSFZXQISA-N 1 0 450.540 -0.831 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160356589 1069388602 /nfs/dbraw/zinc/38/86/02/1069388602.db2.gz DKOSABIGSODCNH-BBRMVZONSA-N 1 0 469.502 -0.339 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001160357215 1069388757 /nfs/dbraw/zinc/38/87/57/1069388757.db2.gz IPJZZDQEPBUIJK-OALUTQOASA-N 1 0 494.508 -0.041 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160358599 1069388979 /nfs/dbraw/zinc/38/89/79/1069388979.db2.gz RFKMQLAIOIDOSP-HKARXFIJSA-N 1 0 475.546 -0.432 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001160358600 1069388882 /nfs/dbraw/zinc/38/88/82/1069388882.db2.gz RFKMQLAIOIDOSP-QQMNAOGKSA-N 1 0 475.546 -0.432 20 0 JBADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160368671 1069389049 /nfs/dbraw/zinc/38/90/49/1069389049.db2.gz AONPEKPWJINWGD-FXAWDEMLSA-N 1 0 450.536 -0.148 20 0 JBADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160368672 1069388909 /nfs/dbraw/zinc/38/89/09/1069388909.db2.gz AONPEKPWJINWGD-PXNSSMCTSA-N 1 0 450.536 -0.148 20 0 JBADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160368673 1069388531 /nfs/dbraw/zinc/38/85/31/1069388531.db2.gz AONPEKPWJINWGD-XLIONFOSSA-N 1 0 450.536 -0.148 20 0 JBADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001160368674 1069388568 /nfs/dbraw/zinc/38/85/68/1069388568.db2.gz AONPEKPWJINWGD-YLJYHZDGSA-N 1 0 450.536 -0.148 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C)C(N)=O ZINC001160371680 1069389009 /nfs/dbraw/zinc/38/90/09/1069389009.db2.gz UOQFKJMFGRFMHZ-ORHBMQHOSA-N 1 0 462.526 -0.827 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C)C(N)=O ZINC001160371681 1069388789 /nfs/dbraw/zinc/38/87/89/1069388789.db2.gz UOQFKJMFGRFMHZ-WTBBCNCBSA-N 1 0 462.526 -0.827 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001160372042 1069388724 /nfs/dbraw/zinc/38/87/24/1069388724.db2.gz WHIZHGPQJCOVJP-TVVUZDRGSA-N 1 0 488.564 -0.470 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C ZINC001160372043 1069389070 /nfs/dbraw/zinc/38/90/70/1069389070.db2.gz WHIZHGPQJCOVJP-UXSWERMXSA-N 1 0 488.564 -0.470 20 0 JBADRO Cc1nc(CO[C@H]2COC3(C2)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC3)cs1 ZINC001160378398 1069389791 /nfs/dbraw/zinc/38/97/91/1069389791.db2.gz KQSSIHRTPABOPD-MAZHCROVSA-N 1 0 453.565 -0.174 20 0 JBADRO Cc1nc(CO[C@@H]2COC3(C2)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC3)cs1 ZINC001160378402 1069389542 /nfs/dbraw/zinc/38/95/42/1069389542.db2.gz KQSSIHRTPABOPD-RCBQFDQVSA-N 1 0 453.565 -0.174 20 0 JBADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001160380054 1069389588 /nfs/dbraw/zinc/38/95/88/1069389588.db2.gz AKDVWNVWFQOAJI-HOTGVXAUSA-N 1 0 479.582 -0.642 20 0 JBADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CN(Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160380114 1069389694 /nfs/dbraw/zinc/38/96/94/1069389694.db2.gz BHMDQPYNXNOOAI-IBGZPJMESA-N 1 0 467.574 -0.053 20 0 JBADRO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1CN(Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160380117 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CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001160440094 1069393413 /nfs/dbraw/zinc/39/34/13/1069393413.db2.gz PNCBBCJJEAAYSE-KRWDZBQOSA-N 1 0 452.533 -0.389 20 0 JBADRO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001160440095 1069394147 /nfs/dbraw/zinc/39/41/47/1069394147.db2.gz PNCBBCJJEAAYSE-QGZVFWFLSA-N 1 0 452.533 -0.389 20 0 JBADRO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001160441707 1069394209 /nfs/dbraw/zinc/39/42/09/1069394209.db2.gz WUTMSVZHVIIZNG-LUKYLMHMSA-N 1 0 467.567 -0.864 20 0 JBADRO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001160441708 1069394326 /nfs/dbraw/zinc/39/43/26/1069394326.db2.gz WUTMSVZHVIIZNG-QAETUUGQSA-N 1 0 467.567 -0.864 20 0 JBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC(c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CC1 ZINC001160442849 1069394091 /nfs/dbraw/zinc/39/40/91/1069394091.db2.gz BFNBQUOLPZXHCL-LRDDRELGSA-N 1 0 465.532 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-0.175 20 0 JBADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160470966 1069394958 /nfs/dbraw/zinc/39/49/58/1069394958.db2.gz PDYXCWSAAIEYIT-APWZRJJASA-N 1 0 463.556 -0.088 20 0 JBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160470967 1069394975 /nfs/dbraw/zinc/39/49/75/1069394975.db2.gz PDYXCWSAAIEYIT-LPHOPBHVSA-N 1 0 463.556 -0.088 20 0 JBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160470968 1069394699 /nfs/dbraw/zinc/39/46/99/1069394699.db2.gz PDYXCWSAAIEYIT-QFBILLFUSA-N 1 0 463.556 -0.088 20 0 JBADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160470969 1069394968 /nfs/dbraw/zinc/39/49/68/1069394968.db2.gz PDYXCWSAAIEYIT-VQIMIIECSA-N 1 0 463.556 -0.088 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160471030 1069394764 /nfs/dbraw/zinc/39/47/64/1069394764.db2.gz QLARDMBGTUYRPJ-CNNODRBYSA-N 1 0 498.536 -0.750 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160471032 1069395002 /nfs/dbraw/zinc/39/50/02/1069395002.db2.gz QLARDMBGTUYRPJ-IPJJNNNSSA-N 1 0 498.536 -0.750 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160478242 1069394925 /nfs/dbraw/zinc/39/49/25/1069394925.db2.gz NTBWJGTVIKKEBJ-QWRGUYRKSA-N 1 0 463.486 -0.340 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(CCc2ccccn2)CC1)C(=O)CF ZINC001160483551 1069394887 /nfs/dbraw/zinc/39/48/87/1069394887.db2.gz SPRXYGMKIBPEJX-JLMWRMLUSA-N 1 0 492.596 -0.330 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001160484882 1069394938 /nfs/dbraw/zinc/39/49/38/1069394938.db2.gz IGEJXQFTWBUSBE-FHWLQOOXSA-N 1 0 466.627 -0.476 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484973 1069394980 /nfs/dbraw/zinc/39/49/80/1069394980.db2.gz LUMWDJARSYWPCA-OALUTQOASA-N 1 0 464.611 -0.848 20 0 JBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CCN(CC(=O)NC(C)C)CC3)c2)cc1 ZINC001160485044 1069394867 /nfs/dbraw/zinc/39/48/67/1069394867.db2.gz OMXYGTLJLPCNAA-HXUWFJFHSA-N 1 0 476.603 -0.033 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001160485132 1069394995 /nfs/dbraw/zinc/39/49/95/1069394995.db2.gz RJEHKOZZIDIFJA-ROUUACIJSA-N 1 0 452.600 -0.946 20 0 JBADRO CC(C)NC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)CC1 ZINC001160485514 1069394745 /nfs/dbraw/zinc/39/47/45/1069394745.db2.gz WBVURHNJDSSREN-UHFFFAOYSA-N 1 0 451.593 -0.001 20 0 JBADRO CC(C)NC(=O)CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001160485628 1069394822 /nfs/dbraw/zinc/39/48/22/1069394822.db2.gz YKPBXNPVCBEFSI-REWPJTCUSA-N 1 0 488.633 -0.518 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(CCc2ccncc2)CC1)C(=O)CF ZINC001160490493 1069394844 /nfs/dbraw/zinc/39/48/44/1069394844.db2.gz SWDXEPPOXFHYOH-JLMWRMLUSA-N 1 0 492.596 -0.330 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(C2CCOCC2)CC1)C(=O)CF ZINC001160491075 1069394789 /nfs/dbraw/zinc/39/47/89/1069394789.db2.gz RQGBZEZPBQPDKL-KNBMTAEXSA-N 1 0 471.574 -0.789 20 0 JBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001160491748 1069394905 /nfs/dbraw/zinc/39/49/05/1069394905.db2.gz BNZFZFONSZQRJQ-CYBJUQQLSA-N 1 0 486.591 -0.528 20 0 JBADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001160491749 1069395017 /nfs/dbraw/zinc/39/50/17/1069395017.db2.gz BNZFZFONSZQRJQ-LADRPBIPSA-N 1 0 486.591 -0.528 20 0 JBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001160491750 1069395370 /nfs/dbraw/zinc/39/53/70/1069395370.db2.gz BNZFZFONSZQRJQ-OSBUWBMXSA-N 1 0 486.591 -0.528 20 0 JBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001160491751 1069395576 /nfs/dbraw/zinc/39/55/76/1069395576.db2.gz BNZFZFONSZQRJQ-OXMIBSBGSA-N 1 0 486.591 -0.528 20 0 JBADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001160492249 1069395480 /nfs/dbraw/zinc/39/54/80/1069395480.db2.gz DJBSCUWDWMZCNA-CKEIUWERSA-N 1 0 455.558 -0.021 20 0 JBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001160492252 1069395420 /nfs/dbraw/zinc/39/54/20/1069395420.db2.gz DJBSCUWDWMZCNA-CPUCHLNUSA-N 1 0 455.558 -0.021 20 0 JBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001160492253 1069395553 /nfs/dbraw/zinc/39/55/53/1069395553.db2.gz DJBSCUWDWMZCNA-JKIFEVAISA-N 1 0 455.558 -0.021 20 0 JBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1 ZINC001160492254 1069395639 /nfs/dbraw/zinc/39/56/39/1069395639.db2.gz DJBSCUWDWMZCNA-KEYYUXOJSA-N 1 0 455.558 -0.021 20 0 JBADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001160492845 1069395217 /nfs/dbraw/zinc/39/52/17/1069395217.db2.gz ILGRBVBVOPAYNI-JFIYKMOQSA-N 1 0 496.567 -0.086 20 0 JBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001160492846 1069395345 /nfs/dbraw/zinc/39/53/45/1069395345.db2.gz ILGRBVBVOPAYNI-NUJGCVRESA-N 1 0 496.567 -0.086 20 0 JBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001160492847 1069395619 /nfs/dbraw/zinc/39/56/19/1069395619.db2.gz ILGRBVBVOPAYNI-RYRKJORJSA-N 1 0 496.567 -0.086 20 0 JBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001160492848 1069395323 /nfs/dbraw/zinc/39/53/23/1069395323.db2.gz ILGRBVBVOPAYNI-SOLBZPMBSA-N 1 0 496.567 -0.086 20 0 JBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001160492954 1069395590 /nfs/dbraw/zinc/39/55/90/1069395590.db2.gz KGVWCBHJNJJLEG-DOTOQJQBSA-N 1 0 471.557 -0.053 20 0 JBADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001160492955 1069395403 /nfs/dbraw/zinc/39/54/03/1069395403.db2.gz KGVWCBHJNJJLEG-NVXWUHKLSA-N 1 0 471.557 -0.053 20 0 JBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001160492956 1069395306 /nfs/dbraw/zinc/39/53/06/1069395306.db2.gz KGVWCBHJNJJLEG-RDJZCZTQSA-N 1 0 471.557 -0.053 20 0 JBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001160492957 1069395465 /nfs/dbraw/zinc/39/54/65/1069395465.db2.gz KGVWCBHJNJJLEG-WBVHZDCISA-N 1 0 471.557 -0.053 20 0 JBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001160495383 1069395282 /nfs/dbraw/zinc/39/52/82/1069395282.db2.gz XRVGDPQVCKVQRB-ASHKBJFXSA-N 1 0 467.635 -0.079 20 0 JBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001160495384 1069395247 /nfs/dbraw/zinc/39/52/47/1069395247.db2.gz XRVGDPQVCKVQRB-JUFZMCDQSA-N 1 0 467.635 -0.079 20 0 JBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001160495385 1069395508 /nfs/dbraw/zinc/39/55/08/1069395508.db2.gz XRVGDPQVCKVQRB-OHTBPHCPSA-N 1 0 467.635 -0.079 20 0 JBADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001160495386 1069395600 /nfs/dbraw/zinc/39/56/00/1069395600.db2.gz XRVGDPQVCKVQRB-UUIJZJDISA-N 1 0 467.635 -0.079 20 0 JBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001160495850 1069395535 /nfs/dbraw/zinc/39/55/35/1069395535.db2.gz ZNBNWWRPVJISKN-FLTUCWPJSA-N 1 0 472.564 -0.998 20 0 JBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001160495851 1069395451 /nfs/dbraw/zinc/39/54/51/1069395451.db2.gz ZNBNWWRPVJISKN-NUXNZHGMSA-N 1 0 472.564 -0.998 20 0 JBADRO 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CCOC(=O)c1cnc2n1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001160806419 1069404052 /nfs/dbraw/zinc/40/40/52/1069404052.db2.gz QKAFQJOZAUHSLN-IRXDYDNUSA-N 1 0 459.503 -0.803 20 0 JBADRO CCOC(=O)c1cnc2n1CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001160806721 1069404074 /nfs/dbraw/zinc/40/40/74/1069404074.db2.gz ZLYBOYZTLWLNHH-IRXDYDNUSA-N 1 0 476.578 -0.156 20 0 JBADRO CCOC(=O)[C@]12CN(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)C[C@H]1C[NH2+]CC2 ZINC001160813629 1069403940 /nfs/dbraw/zinc/40/39/40/1069403940.db2.gz AZNWFFTUAQHCNM-MXTNKPTQSA-N 1 0 456.609 -0.004 20 0 JBADRO CCOC(=O)[C@]12CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC(=O)N3)C[C@H]1C[NH2+]CC2 ZINC001160813927 1069404050 /nfs/dbraw/zinc/40/40/50/1069404050.db2.gz LZZCHQAGURXGEA-XMODTWTHSA-N 1 0 456.543 -0.006 20 0 JBADRO CCOC(=O)[C@]12CN(C(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]3CCCN3C(C)=O)C[C@H]1C[NH2+]CC2 ZINC001160813952 1069404038 /nfs/dbraw/zinc/40/40/38/1069404038.db2.gz NITVPTWMSYHALC-XMODTWTHSA-N 1 0 491.589 -0.894 20 0 JBADRO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001160823825 1069404056 /nfs/dbraw/zinc/40/40/56/1069404056.db2.gz KBXQUDQVTJZCFL-YWKPPDPDSA-N 1 0 496.540 -0.700 20 0 JBADRO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001160823826 1069404882 /nfs/dbraw/zinc/40/48/82/1069404882.db2.gz KBXQUDQVTJZCFL-ZSOXWFNISA-N 1 0 496.540 -0.700 20 0 JBADRO CCOC(=O)c1nc2c(o1)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C2 ZINC001160825048 1069404901 /nfs/dbraw/zinc/40/49/01/1069404901.db2.gz SDIRPRBMFFGNHX-LXIYXOSZSA-N 1 0 497.524 -0.363 20 0 JBADRO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001160825630 1069404861 /nfs/dbraw/zinc/40/48/61/1069404861.db2.gz GIKPDGRLZNDXCE-BXWFABGCSA-N 1 0 462.551 -0.202 20 0 JBADRO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001160825631 1069404759 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[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160837907 1069404870 /nfs/dbraw/zinc/40/48/70/1069404870.db2.gz FILNCYKPQBRGQS-PMACEKPBSA-N 1 0 483.573 -0.522 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001160843562 1069404828 /nfs/dbraw/zinc/40/48/28/1069404828.db2.gz PYHQTHRSCMGVNH-JSGCOSHPSA-N 1 0 457.457 -0.402 20 0 JBADRO COc1cccnc1N1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC1 ZINC001160845846 1069404846 /nfs/dbraw/zinc/40/48/46/1069404846.db2.gz ACOKUQNLWXEPAI-FTRWYGJKSA-N 1 0 494.568 -0.360 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC(n2cccn2)CC1)C(=O)CF ZINC001160846455 1069404634 /nfs/dbraw/zinc/40/46/34/1069404634.db2.gz RIRHSADIPMYLRM-QOKNQOGYSA-N 1 0 452.531 -0.052 20 0 JBADRO COC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160853660 1069405775 /nfs/dbraw/zinc/40/57/75/1069405775.db2.gz UYHMSPHAAWVUHH-NRFANRHFSA-N 1 0 495.580 -0.125 20 0 JBADRO COC(=O)[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CCN1C ZINC001160870760 1069405583 /nfs/dbraw/zinc/40/55/83/1069405583.db2.gz KWDFMYXGOWGGCL-BJLQDIEVSA-N 1 0 461.563 -0.871 20 0 JBADRO COC(=O)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CCN1C ZINC001160870761 1069405821 /nfs/dbraw/zinc/40/58/21/1069405821.db2.gz KWDFMYXGOWGGCL-NSHGMRRFSA-N 1 0 461.563 -0.871 20 0 JBADRO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[C@@H]21 ZINC001160885018 1069405497 /nfs/dbraw/zinc/40/54/97/1069405497.db2.gz YMQSDPSBSQCXIV-VBVIXXQXSA-N 1 0 456.515 -0.845 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001160886156 1069405695 /nfs/dbraw/zinc/40/56/95/1069405695.db2.gz FVIILRKWYVGTOU-UHFFFAOYSA-N 1 0 473.452 -0.402 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC(Oc2cnccn2)CC1)C(=O)CF ZINC001160889930 1069405629 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1069406325 /nfs/dbraw/zinc/40/63/25/1069406325.db2.gz NMPTXZWOHQICCK-FPOVZHCZSA-N 1 0 480.525 -0.292 20 0 JBADRO COC(=O)c1cn2c(n1)CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])CC2 ZINC001160905566 1069406265 /nfs/dbraw/zinc/40/62/65/1069406265.db2.gz QIWKLLQHTFQSQO-ZOBUZTSGSA-N 1 0 462.551 -0.119 20 0 JBADRO CCOC(=O)N1CCC(N(CCNC(=O)c2ccccc2C)C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1 ZINC001160906801 1069406391 /nfs/dbraw/zinc/40/63/91/1069406391.db2.gz OSRKEGBMCLRWKL-PXNSSMCTSA-N 1 0 491.589 -0.001 20 0 JBADRO [NH3+]C[C@H](O)C(=O)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC001160910991 1069407552 /nfs/dbraw/zinc/40/75/52/1069407552.db2.gz KKAYWLLAFLTNRY-KPZWWZAWSA-N 1 0 461.866 -0.216 20 0 JBADRO [NH3+]C[C@H](O)C(=O)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC001160910992 1069407710 /nfs/dbraw/zinc/40/77/10/1069407710.db2.gz KKAYWLLAFLTNRY-SGTLLEGYSA-N 1 0 461.866 -0.216 20 0 JBADRO COc1ccc([C@H](CN(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2(O)CCCCC2)cc1 ZINC001160911334 1069407637 /nfs/dbraw/zinc/40/76/37/1069407637.db2.gz NYPQYROMILMOIZ-IBGZPJMESA-N 1 0 491.589 -0.760 20 0 JBADRO COc1ccc([C@@H](CN(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2(O)CCCCC2)cc1 ZINC001160911335 1069407869 /nfs/dbraw/zinc/40/78/69/1069407869.db2.gz NYPQYROMILMOIZ-LJQANCHMSA-N 1 0 491.589 -0.760 20 0 JBADRO [NH3+]CC(=O)NCC(=O)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC001160911649 1069407739 /nfs/dbraw/zinc/40/77/39/1069407739.db2.gz QWCJIBQGHHLKGU-IBGZPJMESA-N 1 0 488.892 -0.460 20 0 JBADRO [NH3+]CC(=O)NCC(=O)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC001160911650 1069407717 /nfs/dbraw/zinc/40/77/17/1069407717.db2.gz QWCJIBQGHHLKGU-LJQANCHMSA-N 1 0 488.892 -0.460 20 0 JBADRO N[C@@H](C[NH3+])C(=O)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC001160912426 1069407681 /nfs/dbraw/zinc/40/76/81/1069407681.db2.gz XQZPWJGFQSHDFU-KPZWWZAWSA-N 1 0 460.882 -0.249 20 0 JBADRO N[C@@H](C[NH3+])C(=O)N1CCN(C(=O)Oc2c3[nH]ccnc-3c(=O)n2-c2ccc(Cl)cn2)CC1 ZINC001160912427 1069407844 /nfs/dbraw/zinc/40/78/44/1069407844.db2.gz XQZPWJGFQSHDFU-SGTLLEGYSA-N 1 0 460.882 -0.249 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160916731 1069407569 /nfs/dbraw/zinc/40/75/69/1069407569.db2.gz CDEWCISZAUCSHT-SFTDATJTSA-N 1 0 499.543 -0.167 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160917148 1069407823 /nfs/dbraw/zinc/40/78/23/1069407823.db2.gz FAFUUTBOIVPFJW-YJBOKZPZSA-N 1 0 474.537 -0.465 20 0 JBADRO CC(C)N(C[C@H](O)c1ccc2ccccc2c1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160933491 1069407516 /nfs/dbraw/zinc/40/75/16/1069407516.db2.gz LKXINXOEDGCEBM-IBGZPJMESA-N 1 0 457.531 -0.583 20 0 JBADRO CC(C)N(C[C@@H](O)c1ccc2ccccc2c1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160933493 1069407889 /nfs/dbraw/zinc/40/78/89/1069407889.db2.gz LKXINXOEDGCEBM-LJQANCHMSA-N 1 0 457.531 -0.583 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160936141 1069408507 /nfs/dbraw/zinc/40/85/07/1069408507.db2.gz HPIAMOMPLHDLEV-OALUTQOASA-N 1 0 458.563 -0.235 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(C(=O)c2ccncc2)CC1)C(=O)CF ZINC001160936576 1069408471 /nfs/dbraw/zinc/40/84/71/1069408471.db2.gz LTGLWEFMYAUKEQ-KNBMTAEXSA-N 1 0 492.552 -0.733 20 0 JBADRO CSc1ncc2c(n1)CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2 ZINC001160940751 1069408682 /nfs/dbraw/zinc/40/86/82/1069408682.db2.gz FOWDQVREWDSEKU-YEWDVWPNSA-N 1 0 482.582 -0.015 20 0 JBADRO COCCOc1cccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC2)c1 ZINC001160944088 1069408727 /nfs/dbraw/zinc/40/87/27/1069408727.db2.gz WGTUYTWNGIYVCN-PXNSSMCTSA-N 1 0 461.563 -0.185 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(C(=O)C(C)(C)C)CC1)C(=O)CF ZINC001160948638 1069408319 /nfs/dbraw/zinc/40/83/19/1069408319.db2.gz 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/nfs/dbraw/zinc/40/86/16/1069408616.db2.gz GGMHIYLFYQSGBN-GAJHUEQPSA-N 1 0 480.529 -0.344 20 0 JBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)C2=O)cc1 ZINC001160962417 1069408587 /nfs/dbraw/zinc/40/85/87/1069408587.db2.gz GGMHIYLFYQSGBN-HXOBKFHXSA-N 1 0 480.529 -0.344 20 0 JBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)C2=O)cc1 ZINC001160962419 1069408288 /nfs/dbraw/zinc/40/82/88/1069408288.db2.gz GGMHIYLFYQSGBN-SBUREZEXSA-N 1 0 480.529 -0.344 20 0 JBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)C2=O)cc1 ZINC001160962421 1069408356 /nfs/dbraw/zinc/40/83/56/1069408356.db2.gz GGMHIYLFYQSGBN-UZUQRXQVSA-N 1 0 480.529 -0.344 20 0 JBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C45CC[NH2+]CC5)C3)C2=O)cc1 ZINC001160964216 1069408240 /nfs/dbraw/zinc/40/82/40/1069408240.db2.gz MUYOPADMMRTNCJ-GAJHUEQPSA-N 1 0 455.515 -0.166 20 0 JBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]4CNC(=O)C45CC[NH2+]CC5)C3)C2=O)cc1 ZINC001160964217 1069409083 /nfs/dbraw/zinc/40/90/83/1069409083.db2.gz MUYOPADMMRTNCJ-HXOBKFHXSA-N 1 0 455.515 -0.166 20 0 JBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C45CC[NH2+]CC5)C3)C2=O)cc1 ZINC001160964218 1069409416 /nfs/dbraw/zinc/40/94/16/1069409416.db2.gz MUYOPADMMRTNCJ-SBUREZEXSA-N 1 0 455.515 -0.166 20 0 JBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C45CC[NH2+]CC5)C3)C2=O)cc1 ZINC001160964219 1069409116 /nfs/dbraw/zinc/40/91/16/1069409116.db2.gz MUYOPADMMRTNCJ-UZUQRXQVSA-N 1 0 455.515 -0.166 20 0 JBADRO [NH3+]CCN=c1ccc(Br)cn1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001160967852 1069408948 /nfs/dbraw/zinc/40/89/48/1069408948.db2.gz DCVVTVFXJAHJFB-UHFFFAOYSA-N 1 0 465.356 -0.043 20 0 JBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C3)C2=O)cc1 ZINC001160969248 1069409402 /nfs/dbraw/zinc/40/94/02/1069409402.db2.gz YUZCHNIHHFPVRL-GAJHUEQPSA-N 1 0 475.546 -0.023 20 0 JBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C3)C2=O)cc1 ZINC001160969249 1069409221 /nfs/dbraw/zinc/40/92/21/1069409221.db2.gz YUZCHNIHHFPVRL-SBUREZEXSA-N 1 0 475.546 -0.023 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001160975230 1069409379 /nfs/dbraw/zinc/40/93/79/1069409379.db2.gz QMMMEKJEJXAQRD-BLVKFPJESA-N 1 0 456.330 -0.599 20 0 JBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCN(S(=O)(=O)c2cccc3cncc(F)c32)[C@@H](C)C1 ZINC001160988969 1069409973 /nfs/dbraw/zinc/40/99/73/1069409973.db2.gz WYBVSDJVNNXTJH-ZQIUZPCESA-N 1 0 481.550 -0.190 20 0 JBADRO COC[C@H]([NH3+])C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991279 1069410058 /nfs/dbraw/zinc/41/00/58/1069410058.db2.gz AJLINQYCNCWXRJ-ULQDDVLXSA-N 1 0 467.521 -0.591 20 0 JBADRO [NH3+]CCCNCC(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991317 1069410023 /nfs/dbraw/zinc/41/00/23/1069410023.db2.gz BKCKPAAMKVGXSU-ROUUACIJSA-N 1 0 480.564 -0.626 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]CC[C@H]1O)N1CCC(F)(F)C1 ZINC001160991333 1069409937 /nfs/dbraw/zinc/40/99/37/1069409937.db2.gz BKTHQGHRTHZNQL-CADBVGFASA-N 1 0 493.559 -0.594 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CC[C@@H]1O)N1CCC(F)(F)C1 ZINC001160991336 1069409996 /nfs/dbraw/zinc/40/99/96/1069409996.db2.gz BKTHQGHRTHZNQL-RDGPPVDQSA-N 1 0 493.559 -0.594 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]CC[C@@H]1O)N1CCC(F)(F)C1 ZINC001160991339 1069409917 /nfs/dbraw/zinc/40/99/17/1069409917.db2.gz BKTHQGHRTHZNQL-VJANTYMQSA-N 1 0 493.559 -0.594 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CC[C@H]1O)N1CCC(F)(F)C1 ZINC001160991340 1069409893 /nfs/dbraw/zinc/40/98/93/1069409893.db2.gz BKTHQGHRTHZNQL-ZSYWTGECSA-N 1 0 493.559 -0.594 20 0 JBADRO CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991456 1069410615 /nfs/dbraw/zinc/41/06/15/1069410615.db2.gz DNAYBCZZEGISPL-YESZJQIVSA-N 1 0 481.548 -0.466 20 0 JBADRO O=C([C@@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991488 1069410431 /nfs/dbraw/zinc/41/04/31/1069410431.db2.gz DYATXIQZPURWQQ-OYSTVDSJSA-N 1 0 475.544 -0.099 20 0 JBADRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991494 1069410524 /nfs/dbraw/zinc/41/05/24/1069410524.db2.gz DYATXIQZPURWQQ-QXCZDIPSSA-N 1 0 475.544 -0.099 20 0 JBADRO [NH3+][C@H]1CN[C@H](C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001160991794 1069410702 /nfs/dbraw/zinc/41/07/02/1069410702.db2.gz GFOVMYUUARFCNZ-OWSLCNJRSA-N 1 0 478.548 -0.875 20 0 JBADRO [NH3+][C@@H]1CN[C@H](C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001160991798 1069410403 /nfs/dbraw/zinc/41/04/03/1069410403.db2.gz GFOVMYUUARFCNZ-XSLAGTTESA-N 1 0 478.548 -0.875 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]C[C@H](O)C1)N1CCC(F)(F)C1 ZINC001160991906 1069410546 /nfs/dbraw/zinc/41/05/46/1069410546.db2.gz GZKHOJAVXSOCTR-HCXYKTFWSA-N 1 0 493.559 -0.594 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]C[C@H](O)C1)N1CCC(F)(F)C1 ZINC001160991912 1069410665 /nfs/dbraw/zinc/41/06/65/1069410665.db2.gz GZKHOJAVXSOCTR-OKYOBFRVSA-N 1 0 493.559 -0.594 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]C[C@@H](O)C1)N1CCC(F)(F)C1 ZINC001160991920 1069410650 /nfs/dbraw/zinc/41/06/50/1069410650.db2.gz GZKHOJAVXSOCTR-VJANTYMQSA-N 1 0 493.559 -0.594 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]C[C@@H](O)C1)N1CCC(F)(F)C1 ZINC001160991925 1069410455 /nfs/dbraw/zinc/41/04/55/1069410455.db2.gz GZKHOJAVXSOCTR-XWSJACJDSA-N 1 0 493.559 -0.594 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CCCO1)N1CCC(F)(F)C1 ZINC001160991937 1069410726 /nfs/dbraw/zinc/41/07/26/1069410726.db2.gz HBKXRYWGNIXDSY-FHWLQOOXSA-N 1 0 493.559 -0.186 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)C1(O)CC[NH2+]CC1)N1CCC(F)(F)C1 ZINC001160992115 1069410682 /nfs/dbraw/zinc/41/06/82/1069410682.db2.gz IGBAPMVWESDILW-ROUUACIJSA-N 1 0 493.559 -0.450 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]CCC1=O)N1CCC(F)(F)C1 ZINC001160992594 1069410592 /nfs/dbraw/zinc/41/05/92/1069410592.db2.gz JRUMPJSFSAVENE-BZSNNMDCSA-N 1 0 491.543 -0.386 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CCC1=O)N1CCC(F)(F)C1 ZINC001160992600 1069410759 /nfs/dbraw/zinc/41/07/59/1069410759.db2.gz JRUMPJSFSAVENE-KSZLIROESA-N 1 0 491.543 -0.386 20 0 JBADRO C[C@]([NH3+])(CO)C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992638 1069410743 /nfs/dbraw/zinc/41/07/43/1069410743.db2.gz KAMMWJRAIZVKAC-FTRWYGJKSA-N 1 0 467.521 -0.855 20 0 JBADRO NC1(C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CC[NH2+]CC1 ZINC001160992684 1069411224 /nfs/dbraw/zinc/41/12/24/1069411224.db2.gz KTTRSDRMWHXPQG-ROUUACIJSA-N 1 0 492.575 -0.483 20 0 JBADRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992723 1069411354 /nfs/dbraw/zinc/41/13/54/1069411354.db2.gz LAKKGBNJIMPNHQ-MLHJIOFPSA-N 1 0 479.532 -0.842 20 0 JBADRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992728 1069411162 /nfs/dbraw/zinc/41/11/62/1069411162.db2.gz LAKKGBNJIMPNHQ-XSLAGTTESA-N 1 0 479.532 -0.842 20 0 JBADRO C[C@@H](O)[C@H]([NH3+])C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992750 1069411427 /nfs/dbraw/zinc/41/14/27/1069411427.db2.gz LDTZUVYLEPKNFA-QZWWFDLISA-N 1 0 467.521 -0.856 20 0 JBADRO C[NH2+][C@@H](CO)C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992806 1069411181 /nfs/dbraw/zinc/41/11/81/1069411181.db2.gz LMLQBDCNHFQBDF-ULQDDVLXSA-N 1 0 467.521 -0.984 20 0 JBADRO [NH3+][C@H](CO)CC(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993208 1069411247 /nfs/dbraw/zinc/41/12/47/1069411247.db2.gz MTJQNCXCUYRRLU-ULQDDVLXSA-N 1 0 467.521 -0.855 20 0 JBADRO CN1CC[NH2+]C[C@H]1C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993240 1069411285 /nfs/dbraw/zinc/41/12/85/1069411285.db2.gz NFUKWZXMUZTMIO-FHWLQOOXSA-N 1 0 492.575 -0.661 20 0 JBADRO CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993241 1069411414 /nfs/dbraw/zinc/41/14/14/1069411414.db2.gz NFUKWZXMUZTMIO-GBESFXJTSA-N 1 0 492.575 -0.661 20 0 JBADRO O=C(C[C@H]1C[NH2+]CCO1)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993311 1069411314 /nfs/dbraw/zinc/41/13/14/1069411314.db2.gz OJZCGAPUMMMISI-FHWLQOOXSA-N 1 0 493.559 -0.186 20 0 JBADRO [NH3+][C@@H]1COC[C@@H]1C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993337 1069411266 /nfs/dbraw/zinc/41/12/66/1069411266.db2.gz PCWCUDVPJLCIJW-FJIDUMEYSA-N 1 0 479.532 -0.591 20 0 JBADRO N[C@@]1(C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CC[NH2+]C1 ZINC001160993395 1069411137 /nfs/dbraw/zinc/41/11/37/1069411137.db2.gz QBSUDKOSHDYSBS-FIKGOQFSSA-N 1 0 478.548 -0.874 20 0 JBADRO N[C@]1(C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CC[NH2+]C1 ZINC001160993401 1069411371 /nfs/dbraw/zinc/41/13/71/1069411371.db2.gz QBSUDKOSHDYSBS-XGHQBKJUSA-N 1 0 478.548 -0.874 20 0 JBADRO C[NH2+][C@H](C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1)[C@@H](C)O ZINC001160993406 1069411384 /nfs/dbraw/zinc/41/13/84/1069411384.db2.gz QDEFXJKVFZQUPH-OWSLCNJRSA-N 1 0 481.548 -0.596 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1[NH2+]CC[C@H]1O)N1CCC(F)(F)C1 ZINC001160993426 1069411100 /nfs/dbraw/zinc/41/11/00/1069411100.db2.gz QLPAPHLHJDXWRK-FJIDUMEYSA-N 1 0 479.532 -0.842 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1[NH2+]CC[C@@H]1O)N1CCC(F)(F)C1 ZINC001160993427 1069411396 /nfs/dbraw/zinc/41/13/96/1069411396.db2.gz QLPAPHLHJDXWRK-XSLAGTTESA-N 1 0 479.532 -0.842 20 0 JBADRO N[C@]1(C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CCC[NH2+]C1 ZINC001160993433 1069412033 /nfs/dbraw/zinc/41/20/33/1069412033.db2.gz QTKYDWXYMXFTSF-NPPFBWRTSA-N 1 0 492.575 -0.483 20 0 JBADRO N[C@@]1(C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CCC[NH2+]C1 ZINC001160993434 1069411904 /nfs/dbraw/zinc/41/19/04/1069411904.db2.gz QTKYDWXYMXFTSF-SPEDKVCISA-N 1 0 492.575 -0.483 20 0 JBADRO [NH3+]C[C@H](O)CC(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993435 1069412130 /nfs/dbraw/zinc/41/21/30/1069412130.db2.gz QYALITSNQQRNBT-BBWFWOEESA-N 1 0 467.521 -0.855 20 0 JBADRO [NH3+]C[C@@H](O)CC(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993436 1069412173 /nfs/dbraw/zinc/41/21/73/1069412173.db2.gz QYALITSNQQRNBT-ULQDDVLXSA-N 1 0 467.521 -0.855 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@]12C[NH2+][C@@H](CO1)C2)N1CCC(F)(F)C1 ZINC001160993442 1069412112 /nfs/dbraw/zinc/41/21/12/1069412112.db2.gz RBUSHVBYNQTSSQ-BZDHPDOMSA-N 1 0 491.543 -0.433 20 0 JBADRO O=C(CN1CC[NH2+]CC1)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993460 1069412166 /nfs/dbraw/zinc/41/21/66/1069412166.db2.gz SDJLMVFOTPUSRQ-OALUTQOASA-N 1 0 492.575 -0.659 20 0 JBADRO O=C(C[C@H]1COCC[NH2+]1)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993486 1069411956 /nfs/dbraw/zinc/41/19/56/1069411956.db2.gz TZUAQOOYGZISAZ-FHWLQOOXSA-N 1 0 493.559 -0.186 20 0 JBADRO O=C(C[C@@H]1COCC[NH2+]1)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993487 1069412091 /nfs/dbraw/zinc/41/20/91/1069412091.db2.gz TZUAQOOYGZISAZ-QYZOEREBSA-N 1 0 493.559 -0.186 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CCO1)N1CCC(F)(F)C1 ZINC001160993489 1069412153 /nfs/dbraw/zinc/41/21/53/1069412153.db2.gz UCCJRVBAMSZOSS-BZSNNMDCSA-N 1 0 479.532 -0.576 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]CCO1)N1CCC(F)(F)C1 ZINC001160993490 1069412135 /nfs/dbraw/zinc/41/21/35/1069412135.db2.gz UCCJRVBAMSZOSS-OKZBNKHCSA-N 1 0 479.532 -0.576 20 0 JBADRO CO[C@@H](C[NH3+])C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993491 1069412057 /nfs/dbraw/zinc/41/20/57/1069412057.db2.gz UCDOGIZLBWQBJH-ULQDDVLXSA-N 1 0 467.521 -0.591 20 0 JBADRO O=C([C@@H]1C[NH2+]C[C@@H]1O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993530 1069412045 /nfs/dbraw/zinc/41/20/45/1069412045.db2.gz VQPUKUHIIOSWRJ-MHORFTMASA-N 1 0 479.532 -0.984 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]C[C@H]1O)N1CCC(F)(F)C1 ZINC001160993531 1069412181 /nfs/dbraw/zinc/41/21/81/1069412181.db2.gz VQPUKUHIIOSWRJ-XLAORIBOSA-N 1 0 479.532 -0.984 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]C[C@@H]1O)N1CCC(F)(F)C1 ZINC001160993532 1069412102 /nfs/dbraw/zinc/41/21/02/1069412102.db2.gz VQPUKUHIIOSWRJ-XSLAGTTESA-N 1 0 479.532 -0.984 20 0 JBADRO O=C([C@@H]1C[NH2+]C[C@H]1O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993533 1069411931 /nfs/dbraw/zinc/41/19/31/1069411931.db2.gz VQPUKUHIIOSWRJ-XWTMOSNGSA-N 1 0 479.532 -0.984 20 0 JBADRO [NH3+][C@@H]1CC[C@@H](C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)OC1 ZINC001160993535 1069412082 /nfs/dbraw/zinc/41/20/82/1069412082.db2.gz VSGBRKDBBPFQCS-XWSJACJDSA-N 1 0 493.559 -0.058 20 0 JBADRO C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160995280 1069412784 /nfs/dbraw/zinc/41/27/84/1069412784.db2.gz GQJXDKVIJOQQJI-BXKMTCNYSA-N 1 0 469.542 -0.039 20 0 JBADRO C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160995282 1069412819 /nfs/dbraw/zinc/41/28/19/1069412819.db2.gz GQJXDKVIJOQQJI-MZNJEOGPSA-N 1 0 469.542 -0.039 20 0 JBADRO C[C@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160995284 1069412575 /nfs/dbraw/zinc/41/25/75/1069412575.db2.gz GQJXDKVIJOQQJI-OSPHWJPCSA-N 1 0 469.542 -0.039 20 0 JBADRO C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160995285 1069412884 /nfs/dbraw/zinc/41/28/84/1069412884.db2.gz GQJXDKVIJOQQJI-XDHUDOTRSA-N 1 0 469.542 -0.039 20 0 JBADRO CC(C)N(CCC(=O)c1ccc2ccccc2c1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160997674 1069412908 /nfs/dbraw/zinc/41/29/08/1069412908.db2.gz QHVBPMUDYWTWEJ-UHFFFAOYSA-N 1 0 469.542 -0.043 20 0 JBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)c2ccccc2)C(=O)C1=O ZINC001161001254 1069412835 /nfs/dbraw/zinc/41/28/35/1069412835.db2.gz XKUQPQSZSCPHBU-QZTJIDSGSA-N 1 0 457.531 -0.157 20 0 JBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)c2ccccc2)C(=O)C1=O ZINC001161001255 1069412659 /nfs/dbraw/zinc/41/26/59/1069412659.db2.gz XKUQPQSZSCPHBU-ZWKOTPCHSA-N 1 0 457.531 -0.157 20 0 JBADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001161006681 1069412806 /nfs/dbraw/zinc/41/28/06/1069412806.db2.gz FEBDTWIZALQTAI-OALUTQOASA-N 1 0 464.588 -0.020 20 0 JBADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)cc1 ZINC001161006719 1069412940 /nfs/dbraw/zinc/41/29/40/1069412940.db2.gz FEBDTWIZALQTAI-RBUKOAKNSA-N 1 0 464.588 -0.020 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010383 1069412717 /nfs/dbraw/zinc/41/27/17/1069412717.db2.gz HOVUACJWOUNIPD-OALUTQOASA-N 1 0 454.483 -0.178 20 0 JBADRO CN([C@H]1CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001161054409 1069413606 /nfs/dbraw/zinc/41/36/06/1069413606.db2.gz QGLLKLKGHCDGDT-HNNXBMFYSA-N 1 0 450.558 -0.343 20 0 JBADRO CN([C@@H]1CCCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001161054410 1069413656 /nfs/dbraw/zinc/41/36/56/1069413656.db2.gz QGLLKLKGHCDGDT-OAHLLOKOSA-N 1 0 450.558 -0.343 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC001161054735 1069413601 /nfs/dbraw/zinc/41/36/01/1069413601.db2.gz UQYGZJGJKCAAMF-IEZWGBDMSA-N 1 0 497.593 -0.108 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC001161054737 1069413541 /nfs/dbraw/zinc/41/35/41/1069413541.db2.gz UQYGZJGJKCAAMF-WDYCEAGBSA-N 1 0 497.593 -0.108 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC001161054835 1069413521 /nfs/dbraw/zinc/41/35/21/1069413521.db2.gz VJVXJZYHMIQVKJ-BJJXKVORSA-N 1 0 457.528 -0.855 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC001161054844 1069413661 /nfs/dbraw/zinc/41/36/61/1069413661.db2.gz VJVXJZYHMIQVKJ-NOLJZWGESA-N 1 0 457.528 -0.855 20 0 JBADRO O=C(CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC001161054963 1069413573 /nfs/dbraw/zinc/41/35/73/1069413573.db2.gz KMFHCRJFOYKYDY-UHFFFAOYSA-N 1 0 474.610 -0.145 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2)C1)C(N)=O ZINC001161055561 1069413482 /nfs/dbraw/zinc/41/34/82/1069413482.db2.gz YUWVHEJGDBVHGU-JLJPHGGASA-N 1 0 471.555 -0.465 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2)C1)C(N)=O ZINC001161055564 1069413683 /nfs/dbraw/zinc/41/36/83/1069413683.db2.gz YUWVHEJGDBVHGU-YSVLISHTSA-N 1 0 471.555 -0.465 20 0 JBADRO CSc1nc(Cl)cc(N2CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2)n1 ZINC001161057503 1069413623 /nfs/dbraw/zinc/41/36/23/1069413623.db2.gz ZFSBAWZBPKFYAL-NWDGAFQWSA-N 1 0 457.988 -0.012 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067221 1069413617 /nfs/dbraw/zinc/41/36/17/1069413617.db2.gz GONVLNODCSUGGI-BZSNNMDCSA-N 1 0 494.618 -0.640 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067225 1069413666 /nfs/dbraw/zinc/41/36/66/1069413666.db2.gz GONVLNODCSUGGI-SQNIBIBYSA-N 1 0 494.618 -0.640 20 0 JBADRO O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067828 1069413701 /nfs/dbraw/zinc/41/37/01/1069413701.db2.gz LNURTINTEDHNKV-PBHICJAKSA-N 1 0 457.516 -0.022 20 0 JBADRO O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067830 1069414277 /nfs/dbraw/zinc/41/42/77/1069414277.db2.gz LNURTINTEDHNKV-RHSMWYFYSA-N 1 0 457.516 -0.022 20 0 JBADRO O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067832 1069414240 /nfs/dbraw/zinc/41/42/40/1069414240.db2.gz LNURTINTEDHNKV-WMLDXEAASA-N 1 0 457.516 -0.022 20 0 JBADRO O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161067835 1069414174 /nfs/dbraw/zinc/41/41/74/1069414174.db2.gz LNURTINTEDHNKV-YOEHRIQHSA-N 1 0 457.516 -0.022 20 0 JBADRO CCOC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161075206 1069414288 /nfs/dbraw/zinc/41/42/88/1069414288.db2.gz JGSKGVAODMLCJC-RCBQFDQVSA-N 1 0 464.519 -0.210 20 0 JBADRO CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161075207 1069414109 /nfs/dbraw/zinc/41/41/09/1069414109.db2.gz JGSKGVAODMLCJC-VBNZEHGJSA-N 1 0 464.519 -0.210 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081157 1069414325 /nfs/dbraw/zinc/41/43/25/1069414325.db2.gz GDZRMIFQWINTLV-FPOVZHCZSA-N 1 0 483.573 -0.342 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081188 1069414255 /nfs/dbraw/zinc/41/42/55/1069414255.db2.gz GULMUXOWJYYJGZ-SZMVWBNQSA-N 1 0 461.567 -0.300 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081956 1069413931 /nfs/dbraw/zinc/41/39/31/1069413931.db2.gz MUOOMOHRIVDFPT-HKUYNNGSSA-N 1 0 458.563 -0.513 20 0 JBADRO CCOC(=O)[C@@H]1COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001161093351 1069414188 /nfs/dbraw/zinc/41/41/88/1069414188.db2.gz MECNMSNJQOQKOP-BJLQDIEVSA-N 1 0 462.547 -0.396 20 0 JBADRO CCOC(=O)[C@H]1COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001161093352 1069413984 /nfs/dbraw/zinc/41/39/84/1069413984.db2.gz MECNMSNJQOQKOP-NSHGMRRFSA-N 1 0 462.547 -0.396 20 0 JBADRO COc1cc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)ncn1 ZINC001161093392 1069414311 /nfs/dbraw/zinc/41/43/11/1069414311.db2.gz MXCMHRUZRCRYEL-CVDCTZTESA-N 1 0 497.600 -0.039 20 0 JBADRO COc1cc(N2CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2)ncn1 ZINC001161093410 1069414299 /nfs/dbraw/zinc/41/42/99/1069414299.db2.gz NJXYMQSFLMEGMR-AVYPCKFXSA-N 1 0 495.556 -0.965 20 0 JBADRO COc1cc(N2CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCC[NH2+]3)CC2)ncn1 ZINC001161093865 1069414340 /nfs/dbraw/zinc/41/43/40/1069414340.db2.gz ZDGRIRPDIZQQJI-IRXDYDNUSA-N 1 0 461.567 -0.467 20 0 JBADRO O=C(CNC(=O)c1cccnc1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117321 1069414043 /nfs/dbraw/zinc/41/40/43/1069414043.db2.gz GSEDTYAZFAZCLM-IRXDYDNUSA-N 1 0 450.490 -0.446 20 0 JBADRO O=CNc1nc(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)cs1 ZINC001161117345 1069414082 /nfs/dbraw/zinc/41/40/82/1069414082.db2.gz HKIXRQDHKFPRJN-GJZGRUSLSA-N 1 0 456.519 -0.004 20 0 JBADRO O=C(CN1CCN(c2ncccn2)CC1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117429 1069414201 /nfs/dbraw/zinc/41/42/01/1069414201.db2.gz KKNUARWQUDAVNE-OALUTQOASA-N 1 0 492.575 -0.659 20 0 JBADRO O=C(CCNC(=O)c1ccc[nH]1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117619 1069414660 /nfs/dbraw/zinc/41/46/60/1069414660.db2.gz OCFZIAMJVOPUSH-RDJZCZTQSA-N 1 0 452.506 -0.123 20 0 JBADRO O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117626 1069414756 /nfs/dbraw/zinc/41/47/56/1069414756.db2.gz OKAXFTZNAMBDHF-OALUTQOASA-N 1 0 474.516 -0.053 20 0 JBADRO O=C(CCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)Nc1nncs1 ZINC001161117663 1069414778 /nfs/dbraw/zinc/41/47/78/1069414778.db2.gz QLTMIUSVFUQNFR-KBPBESRZSA-N 1 0 471.534 -0.001 20 0 JBADRO CCn1nnc2c1[C@@H](C(=O)N1CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC1)CNC2 ZINC001161117799 1069414740 /nfs/dbraw/zinc/41/47/40/1069414740.db2.gz RWVKMOKTQXXJBY-JYJNAYRXSA-N 1 0 466.537 -0.773 20 0 JBADRO CCn1nnc2c1[C@H](C(=O)N1CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC1)CNC2 ZINC001161117800 1069414915 /nfs/dbraw/zinc/41/49/15/1069414915.db2.gz RWVKMOKTQXXJBY-XHSDSOJGSA-N 1 0 466.537 -0.773 20 0 JBADRO COC(=O)[C@@H]1CCCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)[C@@H]1C ZINC001161117898 1069414798 /nfs/dbraw/zinc/41/47/98/1069414798.db2.gz XIPHEUHONGHTLJ-KIBLCYBISA-N 1 0 458.531 -0.312 20 0 JBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117950 1069414818 /nfs/dbraw/zinc/41/48/18/1069414818.db2.gz YBNLBZMFTQKTTM-OKZBNKHCSA-N 1 0 467.521 -0.801 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161117993 1069414899 /nfs/dbraw/zinc/41/48/99/1069414899.db2.gz YXOMRPJLPUAGPH-KEYYUXOJSA-N 1 0 480.516 -0.265 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161117996 1069414689 /nfs/dbraw/zinc/41/46/89/1069414689.db2.gz YXOMRPJLPUAGPH-ZQIUZPCESA-N 1 0 480.516 -0.265 20 0 JBADRO CSCC[C@H](NC(C)=O)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118225 1069414765 /nfs/dbraw/zinc/41/47/65/1069414765.db2.gz BXLFCSMFNLFGEB-ULQDDVLXSA-N 1 0 461.579 -0.014 20 0 JBADRO O=C(CN1C(=O)C(=O)c2ccccc21)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118266 1069414893 /nfs/dbraw/zinc/41/48/93/1069414893.db2.gz DTQWEYZQSWAHCQ-RDJZCZTQSA-N 1 0 475.496 -0.042 20 0 JBADRO COC(=O)[C@H](CCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)NC(C)=O ZINC001161118280 1069414789 /nfs/dbraw/zinc/41/47/89/1069414789.db2.gz FKXFJTUINDSXJO-ULQDDVLXSA-N 1 0 473.521 -0.813 20 0 JBADRO O=C(CCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)N1CCOCC1 ZINC001161118511 1069414708 /nfs/dbraw/zinc/41/47/08/1069414708.db2.gz GKLPDDBTDMXJGC-IRXDYDNUSA-N 1 0 457.522 -0.632 20 0 JBADRO COC(=O)[C@H]1C[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCN1 ZINC001161118970 1069415271 /nfs/dbraw/zinc/41/52/71/1069415271.db2.gz KGSNKDKARPBSNE-LTIDMASMSA-N 1 0 457.522 -0.730 20 0 JBADRO COC(=O)[C@H]1C[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCN1 ZINC001161118972 1069415517 /nfs/dbraw/zinc/41/55/17/1069415517.db2.gz KGSNKDKARPBSNE-LUKYLMHMSA-N 1 0 457.522 -0.730 20 0 JBADRO COC(=O)[C@@H]1C[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCN1 ZINC001161118973 1069415370 /nfs/dbraw/zinc/41/53/70/1069415370.db2.gz KGSNKDKARPBSNE-QAETUUGQSA-N 1 0 457.522 -0.730 20 0 JBADRO COC(=O)[C@@H]1C[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCN1 ZINC001161118975 1069415496 /nfs/dbraw/zinc/41/54/96/1069415496.db2.gz KGSNKDKARPBSNE-QZWWFDLISA-N 1 0 457.522 -0.730 20 0 JBADRO O=C(CC1CCS(=O)(=O)CC1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119039 1069415513 /nfs/dbraw/zinc/41/55/13/1069415513.db2.gz LCTHSUURRJRJIQ-IRXDYDNUSA-N 1 0 462.563 -0.056 20 0 JBADRO COCCN1C[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1=O ZINC001161119234 1069415463 /nfs/dbraw/zinc/41/54/63/1069415463.db2.gz NDNGFBQUBUBKMU-IKGGRYGDSA-N 1 0 457.522 -0.776 20 0 JBADRO COCCN1C[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1=O ZINC001161119235 1069415331 /nfs/dbraw/zinc/41/53/31/1069415331.db2.gz NDNGFBQUBUBKMU-ULQDDVLXSA-N 1 0 457.522 -0.776 20 0 JBADRO CS(=O)(=O)N1CCC(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161119676 1069415421 /nfs/dbraw/zinc/41/54/21/1069415421.db2.gz SQTNYFABMQZYAF-IRXDYDNUSA-N 1 0 477.578 -0.600 20 0 JBADRO O=C(Cn1nc(Cl)ccc1=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161120099 1069416221 /nfs/dbraw/zinc/41/62/21/1069416221.db2.gz XKAHAMSWWGHCBL-KBPBESRZSA-N 1 0 458.897 -0.361 20 0 JBADRO O=C(c1nc(Br)c[nH]c1=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122068 1069416141 /nfs/dbraw/zinc/41/61/41/1069416141.db2.gz BOJZYUWQZHBRGP-RYUDHWBXSA-N 1 0 489.321 -0.112 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cncc(N4CCOCC4)n3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122094 1069416227 /nfs/dbraw/zinc/41/62/27/1069416227.db2.gz CYHRHWWLEQPFIE-IRXDYDNUSA-N 1 0 479.532 -0.331 20 0 JBADRO CS(=O)(=O)c1cc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)ccn1 ZINC001161122097 1069416171 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O=C(c1cc(CN2CCOCC2)on1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122375 1069416783 /nfs/dbraw/zinc/41/67/83/1069416783.db2.gz RFGCWGKNZBPEKY-WMZOPIPTSA-N 1 0 482.532 -0.137 20 0 JBADRO CS(=O)(=O)Cc1ncccc1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122387 1069416596 /nfs/dbraw/zinc/41/65/96/1069416596.db2.gz RYVLRNZJRFQZBU-RDJZCZTQSA-N 1 0 485.557 -0.018 20 0 JBADRO COCCn1cc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)ccc1=O ZINC001161122413 1069416721 /nfs/dbraw/zinc/41/67/21/1069416721.db2.gz TXEGEISFGVZVML-ROUUACIJSA-N 1 0 467.517 -0.149 20 0 JBADRO COc1cc(OC)nc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)n1 ZINC001161122439 1069416579 /nfs/dbraw/zinc/41/65/79/1069416579.db2.gz UYGYUFMEJILGOY-KBPBESRZSA-N 1 0 454.478 -0.150 20 0 JBADRO O=C(c1cnc(=O)n(C2CCOCC2)c1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122459 1069416674 /nfs/dbraw/zinc/41/66/74/1069416674.db2.gz VVHQQGPISOVCCH-OALUTQOASA-N 1 0 494.543 -0.049 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122467 1069416791 /nfs/dbraw/zinc/41/67/91/1069416791.db2.gz WIZCHVKSRYJYKT-ROUUACIJSA-N 1 0 479.532 -0.331 20 0 JBADRO COCCn1cccc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)c1=O ZINC001161122468 1069416613 /nfs/dbraw/zinc/41/66/13/1069416613.db2.gz WJRGMEUQEFNNGV-WMZOPIPTSA-N 1 0 467.517 -0.149 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cc(N4CCCNC4=O)ncn3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161122490 1069416773 /nfs/dbraw/zinc/41/67/73/1069416773.db2.gz XJMSTVBHFSYNJR-HOTGVXAUSA-N 1 0 492.531 -0.248 20 0 JBADRO COCCn1c(=O)cccc1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122502 1069416666 /nfs/dbraw/zinc/41/66/66/1069416666.db2.gz YARZRAACZWNWSH-IRXDYDNUSA-N 1 0 467.517 -0.149 20 0 JBADRO O=C(CNC(=O)c1ccc(O)cc1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122686 1069416626 /nfs/dbraw/zinc/41/66/26/1069416626.db2.gz GNLAZUJPKIOGEE-WMZOPIPTSA-N 1 0 465.501 -0.136 20 0 JBADRO NC(=O)COc1ccc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)cc1 ZINC001161122987 1069417226 /nfs/dbraw/zinc/41/72/26/1069417226.db2.gz AJZNAJRKGHMQPX-WMZOPIPTSA-N 1 0 465.501 -0.093 20 0 JBADRO CC1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CCS(=O)(=O)CC1 ZINC001161123588 1069417308 /nfs/dbraw/zinc/41/73/08/1069417308.db2.gz QOXDZPCLODSMES-HOTGVXAUSA-N 1 0 462.563 -0.056 20 0 JBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123887 1069417255 /nfs/dbraw/zinc/41/72/55/1069417255.db2.gz UAEMSABKTBFTGS-JHNDHUHGSA-N 1 0 473.521 -0.815 20 0 JBADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124363 1069417271 /nfs/dbraw/zinc/41/72/71/1069417271.db2.gz VAHPZRURZNYEQF-BZSNNMDCSA-N 1 0 453.534 -0.013 20 0 JBADRO O=C([C@@H]1CC(=O)N(CC2CC2)C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124364 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CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161141443 1069418877 /nfs/dbraw/zinc/41/88/77/1069418877.db2.gz XNYXAIBQGNJSDH-ZWKOTPCHSA-N 1 0 493.536 -0.807 20 0 JBADRO COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161145919 1069418750 /nfs/dbraw/zinc/41/87/50/1069418750.db2.gz KPTOXSXPYKIKQF-IHPCNDPISA-N 1 0 473.574 -0.283 20 0 JBADRO COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161145929 1069418936 /nfs/dbraw/zinc/41/89/36/1069418936.db2.gz KPTOXSXPYKIKQF-SXLOBPIMSA-N 1 0 473.574 -0.283 20 0 JBADRO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)CN(C)[C@H]3CCC[NH2+]C3)CC2)c2nonc21 ZINC001161152880 1069418737 /nfs/dbraw/zinc/41/87/37/1069418737.db2.gz AHAMETMSLLSAAY-HNNXBMFYSA-N 1 0 465.580 -0.195 20 0 JBADRO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)CN(C)[C@@H]3CCC[NH2+]C3)CC2)c2nonc21 ZINC001161152883 1069418867 /nfs/dbraw/zinc/41/88/67/1069418867.db2.gz AHAMETMSLLSAAY-OAHLLOKOSA-N 1 0 465.580 -0.195 20 0 JBADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001161152909 1069418913 /nfs/dbraw/zinc/41/89/13/1069418913.db2.gz AZUAVANAKGIZJM-ZIAGYGMSSA-N 1 0 480.547 -0.480 20 0 JBADRO C[NH2+][C@H]1CCCN(CC(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)C1 ZINC001161152923 1069418931 /nfs/dbraw/zinc/41/89/31/1069418931.db2.gz BGDQOJALVYEQSD-HNNXBMFYSA-N 1 0 465.580 -0.195 20 0 JBADRO C[NH2+][C@@H]1CCCN(CC(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)C1 ZINC001161152925 1069418872 /nfs/dbraw/zinc/41/88/72/1069418872.db2.gz BGDQOJALVYEQSD-OAHLLOKOSA-N 1 0 465.580 -0.195 20 0 JBADRO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)c2nonc21 ZINC001161152932 1069418808 /nfs/dbraw/zinc/41/88/08/1069418808.db2.gz BRDZEDAUGUSSBL-UHFFFAOYSA-N 1 0 460.520 -0.196 20 0 JBADRO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)COC3CC[NH2+]CC3)CC2)c2nonc21 ZINC001161152946 1069418906 /nfs/dbraw/zinc/41/89/06/1069418906.db2.gz BWTNPSNCMQXYPO-UHFFFAOYSA-N 1 0 452.537 -0.110 20 0 JBADRO 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ZINC001161174627 1069422047 /nfs/dbraw/zinc/42/20/47/1069422047.db2.gz BCOGDCWDLXUEBD-BXWFABGCSA-N 1 0 473.590 -0.807 20 0 JBADRO CC1(C)[C@H](C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001161196507 1069422663 /nfs/dbraw/zinc/42/26/63/1069422663.db2.gz KKUCCROUUGOPEO-MOPGFXCFSA-N 1 0 456.609 -0.329 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198272 1069422379 /nfs/dbraw/zinc/42/23/79/1069422379.db2.gz OYCWJTCGMDPPHY-FHWLQOOXSA-N 1 0 496.653 -0.929 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)[C@@H]1CCC2(C1)OCCO2)C(=O)CF ZINC001161217234 1069215852 /nfs/dbraw/zinc/21/58/52/1069215852.db2.gz BPVKZPPLLDNKPN-KRXQYRFLSA-N 1 0 458.531 -0.358 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)[C@H]1CCC2(C1)OCCO2)C(=O)CF ZINC001161217239 1069216007 /nfs/dbraw/zinc/21/60/07/1069216007.db2.gz BPVKZPPLLDNKPN-XSWJXKHESA-N 1 0 458.531 -0.358 20 0 JBADRO 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PFQFCUKJYXDMLD-NSHGMRRFSA-N 1 0 461.563 -0.871 20 0 JBADRO CN(C)C(=O)CN1Cc2c(C(=O)N3CC[C@](F)(C[NH3+])C3)ncn2-c2ccccc2S1(=O)=O ZINC001161246799 1069423246 /nfs/dbraw/zinc/42/32/46/1069423246.db2.gz PIELUSWTSJWDRB-FQEVSTJZSA-N 1 0 464.523 -0.022 20 0 JBADRO CN(C)C(=O)CN1Cc2c(C(=O)N3CC[C@@](F)(C[NH3+])C3)ncn2-c2ccccc2S1(=O)=O ZINC001161246800 1069423558 /nfs/dbraw/zinc/42/35/58/1069423558.db2.gz PIELUSWTSJWDRB-HXUWFJFHSA-N 1 0 464.523 -0.022 20 0 JBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CCN(c4ncncn4)CC3)c2)cc1 ZINC001161247541 1069423323 /nfs/dbraw/zinc/42/33/23/1069423323.db2.gz HXPZEDPBLRMDLN-GOSISDBHSA-N 1 0 456.532 -0.168 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248302 1069423452 /nfs/dbraw/zinc/42/34/52/1069423452.db2.gz SZWIDPVBSHOBLO-ICSRJNTNSA-N 1 0 468.562 -0.653 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001161254708 1069423495 /nfs/dbraw/zinc/42/34/95/1069423495.db2.gz 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ZINC001161269699 1069423189 /nfs/dbraw/zinc/42/31/89/1069423189.db2.gz DTGWTSUXGDESST-OALUTQOASA-N 1 0 485.651 -0.198 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270093 1069424314 /nfs/dbraw/zinc/42/43/14/1069424314.db2.gz QLKWEFFLJISGKH-OALUTQOASA-N 1 0 468.576 -0.844 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270138 1069424306 /nfs/dbraw/zinc/42/43/06/1069424306.db2.gz RLEGKCSUDPEXDF-OALUTQOASA-N 1 0 480.610 -0.582 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161270702 1069424282 /nfs/dbraw/zinc/42/42/82/1069424282.db2.gz WDINELQVXUEPEU-IHPCNDPISA-N 1 0 494.637 -0.112 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1)C(=O)CF ZINC001161288157 1069424298 /nfs/dbraw/zinc/42/42/98/1069424298.db2.gz CEMQOSZWILCSJH-KRXQYRFLSA-N 1 0 472.562 -0.850 20 0 JBADRO COC(=O)[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)CCN1C(C)=O ZINC001161294931 1069424265 /nfs/dbraw/zinc/42/42/65/1069424265.db2.gz BLBAJRVOQQDBMS-GOSISDBHSA-N 1 0 452.533 -0.437 20 0 JBADRO COC(=O)[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)CCN1C(C)=O ZINC001161294932 1069424296 /nfs/dbraw/zinc/42/42/96/1069424296.db2.gz BLBAJRVOQQDBMS-SFHVURJKSA-N 1 0 452.533 -0.437 20 0 JBADRO COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)CCN1C(C)=O ZINC001161295156 1069424278 /nfs/dbraw/zinc/42/42/78/1069424278.db2.gz HBSCJHNHGANLFW-MOPGFXCFSA-N 1 0 477.543 -0.469 20 0 JBADRO COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)CCN1C(C)=O ZINC001161295157 1069424156 /nfs/dbraw/zinc/42/41/56/1069424156.db2.gz HBSCJHNHGANLFW-RTBURBONSA-N 1 0 477.543 -0.469 20 0 JBADRO COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CCN1C(C)=O ZINC001161295164 1069424289 /nfs/dbraw/zinc/42/42/89/1069424289.db2.gz HDZWQCNPFHLWMR-DKIMLUQUSA-N 1 0 467.567 -0.912 20 0 JBADRO COC(=O)[C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CCN1C(C)=O ZINC001161295165 1069424186 /nfs/dbraw/zinc/42/41/86/1069424186.db2.gz HDZWQCNPFHLWMR-LEUOFYLZSA-N 1 0 467.567 -0.912 20 0 JBADRO COC(=O)[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CCN1C(C)=O ZINC001161295185 1069424227 /nfs/dbraw/zinc/42/42/27/1069424227.db2.gz HTABSIYXRYEHNY-ZJOUEHCJSA-N 1 0 489.573 -0.954 20 0 JBADRO COC(=O)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CCN1C(C)=O ZINC001161295286 1069424210 /nfs/dbraw/zinc/42/42/10/1069424210.db2.gz HTABSIYXRYEHNY-ZVDOUQERSA-N 1 0 489.573 -0.954 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@H](Oc2ncccn2)C1)C(=O)CF ZINC001161296725 1069424255 /nfs/dbraw/zinc/42/42/55/1069424255.db2.gz UEUZAZKMDNAQDV-FPXQBCRKSA-N 1 0 480.541 -0.252 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@H](Oc2ncccn2)C1)C(=O)CF ZINC001161296727 1069424270 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COc1cnc(O[C@H]2CCN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCC[NH2+]3)C2)nc1 ZINC001161298211 1069424996 /nfs/dbraw/zinc/42/49/96/1069424996.db2.gz IXRPUKUYVIVWQR-SZMVWBNQSA-N 1 0 462.551 -0.136 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC2(CCC(=O)N2)CC1)C(=O)CF ZINC001161298241 1069424866 /nfs/dbraw/zinc/42/48/66/1069424866.db2.gz JOIHUSDGLZDJJK-DEYYWGMASA-N 1 0 455.531 -0.841 20 0 JBADRO COc1ccc(C(=O)N2CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC2)cc1 ZINC001161303886 1069424834 /nfs/dbraw/zinc/42/48/34/1069424834.db2.gz OKXYYHYBSLYZOF-SFTDATJTSA-N 1 0 470.526 -0.268 20 0 JBADRO COc1cc(N2CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2)ccn1 ZINC001161305910 1069424885 /nfs/dbraw/zinc/42/48/85/1069424885.db2.gz CNOLSTHDHBGCMQ-WJPUGNRLSA-N 1 0 494.568 -0.360 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC(Oc2ncc(F)cn2)CC1)C(=O)CF ZINC001161313805 1069424822 /nfs/dbraw/zinc/42/48/22/1069424822.db2.gz XENNCFWVEQJCCF-AXHNFQJDSA-N 1 0 498.531 -0.113 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001161318406 1069424804 /nfs/dbraw/zinc/42/48/04/1069424804.db2.gz YKPBQLWUOXVAFC-PMACEKPBSA-N 1 0 458.559 -0.010 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321779 1069424907 /nfs/dbraw/zinc/42/49/07/1069424907.db2.gz OZRKOLAQWZTWEW-OIDVLUPKSA-N 1 0 453.584 -0.202 20 0 JBADRO Nc1nc2c(ncn2CC(=O)N2c3ccccc3CN(C3CC[NH2+]CC3)S2(=O)=O)c(=O)[nH]1 ZINC001161354239 1069424987 /nfs/dbraw/zinc/42/49/87/1069424987.db2.gz KVQZCNWMHGOETR-UHFFFAOYSA-N 1 0 458.504 -0.040 20 0 JBADRO COc1ccnc(OC2CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC2)n1 ZINC001161368059 1069425615 /nfs/dbraw/zinc/42/56/15/1069425615.db2.gz CCJHJBPUCZGPSL-ROUUACIJSA-N 1 0 459.503 -0.392 20 0 JBADRO COC(=O)[C@]1(C)COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001161371850 1069425710 /nfs/dbraw/zinc/42/57/10/1069425710.db2.gz GZAOQHIOMNHADA-LTMIRXACSA-N 1 0 462.547 -0.396 20 0 JBADRO COC(=O)[C@@]1(C)COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001161371852 1069425602 /nfs/dbraw/zinc/42/56/02/1069425602.db2.gz GZAOQHIOMNHADA-WCAVRKLYSA-N 1 0 462.547 -0.396 20 0 JBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381362 1069425689 /nfs/dbraw/zinc/42/56/89/1069425689.db2.gz YBAKFUMSUMHKSG-AABGKKOBSA-N 1 0 462.595 -0.872 20 0 JBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381363 1069425579 /nfs/dbraw/zinc/42/55/79/1069425579.db2.gz YBAKFUMSUMHKSG-UFYCRDLUSA-N 1 0 462.595 -0.872 20 0 JBADRO CC(=O)OCC1=C(C(=O)N2CC[NH2+]C2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001161416937 1069426441 /nfs/dbraw/zinc/42/64/41/1069426441.db2.gz NHCUUPWZVUAJMN-DNVCBOLYSA-N 1 0 450.542 -0.103 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(=O)NC2(CCCC2)C1)C(=O)CF ZINC001161417908 1069426384 /nfs/dbraw/zinc/42/63/84/1069426384.db2.gz ZDYFEZPADBJDQB-DEYYWGMASA-N 1 0 455.531 -0.841 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001161466948 1069426279 /nfs/dbraw/zinc/42/62/79/1069426279.db2.gz AUXKBFLGBLQIQI-AWEZNQCLSA-N 1 0 457.453 -0.841 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001161466951 1069426323 /nfs/dbraw/zinc/42/63/23/1069426323.db2.gz AUXKBFLGBLQIQI-CQSZACIVSA-N 1 0 457.453 -0.841 20 0 JBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC[C@@]3(C(=O)OC)CC[NH2+][C@@H]3C2)c2ccccc2)C(=O)C1=O ZINC001161481494 1069427165 /nfs/dbraw/zinc/42/71/65/1069427165.db2.gz YBQQCSXKGPPATO-GGUMNFRJSA-N 1 0 485.541 -0.118 20 0 JBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC[C@]3(C(=O)OC)CC[NH2+][C@H]3C2)c2ccccc2)C(=O)C1=O ZINC001161481497 1069427333 /nfs/dbraw/zinc/42/73/33/1069427333.db2.gz YBQQCSXKGPPATO-HOOSLVGPSA-N 1 0 485.541 -0.118 20 0 JBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC[C@]3(C(=O)OC)CC[NH2+][C@@H]3C2)c2ccccc2)C(=O)C1=O ZINC001161481500 1069427182 /nfs/dbraw/zinc/42/71/82/1069427182.db2.gz YBQQCSXKGPPATO-QZTZHPFYSA-N 1 0 485.541 -0.118 20 0 JBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC[C@@]3(C(=O)OC)CC[NH2+][C@H]3C2)c2ccccc2)C(=O)C1=O ZINC001161481502 1069426969 /nfs/dbraw/zinc/42/69/69/1069426969.db2.gz YBQQCSXKGPPATO-RHGYRFJNSA-N 1 0 485.541 -0.118 20 0 JBADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1ccc3nnc([C@H]4CCN(S(C)(=O)=O)C4)n3c1)CC2 ZINC001161481514 1069427113 /nfs/dbraw/zinc/42/71/13/1069427113.db2.gz DRHDJZRUTWIVKP-HTZUNMPGSA-N 1 0 476.559 -0.155 20 0 JBADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1ccc3nnc([C@@H]4CCN(S(C)(=O)=O)C4)n3c1)CC2 ZINC001161481517 1069427252 /nfs/dbraw/zinc/42/72/52/1069427252.db2.gz DRHDJZRUTWIVKP-NVAPDCRFSA-N 1 0 476.559 -0.155 20 0 JBADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1ccc3nnc([C@H]4CCN(S(C)(=O)=O)C4)n3c1)CC2 ZINC001161481521 1069427197 /nfs/dbraw/zinc/42/71/97/1069427197.db2.gz DRHDJZRUTWIVKP-PXARDIRTSA-N 1 0 476.559 -0.155 20 0 JBADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1ccc3nnc([C@@H]4CCN(S(C)(=O)=O)C4)n3c1)CC2 ZINC001161481525 1069427298 /nfs/dbraw/zinc/42/72/98/1069427298.db2.gz DRHDJZRUTWIVKP-ZJTDPSCFSA-N 1 0 476.559 -0.155 20 0 JBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1ncccc1C(=O)N1CCCCC1 ZINC001161484358 1069426911 /nfs/dbraw/zinc/42/69/11/1069426911.db2.gz FHUOAFXWIPXIGU-RRFJBIMHSA-N 1 0 454.491 -0.207 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C)C1)C(=O)CF ZINC001161484864 1069427080 /nfs/dbraw/zinc/42/70/80/1069427080.db2.gz YFOKJOJHCWXWGK-MRNSRZSKSA-N 1 0 469.558 -0.643 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C)C1)C(=O)CF ZINC001161484865 1069427262 /nfs/dbraw/zinc/42/72/62/1069427262.db2.gz YFOKJOJHCWXWGK-NKGVLGIYSA-N 1 0 469.558 -0.643 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C)C1)C(=O)CF ZINC001161484866 1069427138 /nfs/dbraw/zinc/42/71/38/1069427138.db2.gz YFOKJOJHCWXWGK-OYFMXXACSA-N 1 0 469.558 -0.643 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C)C1)C(=O)CF ZINC001161484868 1069427347 /nfs/dbraw/zinc/42/73/47/1069427347.db2.gz YFOKJOJHCWXWGK-YPTDYUDTSA-N 1 0 469.558 -0.643 20 0 JBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1ccc(Cn2ccccc2=O)cn1 ZINC001161486036 1069426938 /nfs/dbraw/zinc/42/69/38/1069426938.db2.gz XTVJALCRWVQFRB-JJRVBVJISA-N 1 0 450.459 -0.624 20 0 JBADRO CO[C@@H]1CN(C(=O)C2=C(COC(C)=O)CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N23)C[C@@H]1[NH3+] ZINC001161492525 1069427791 /nfs/dbraw/zinc/42/77/91/1069427791.db2.gz QPHNCYHUCSBALZ-GYQJYAJYSA-N 1 0 494.595 -0.308 20 0 JBADRO CO[C@@H]1CN(C(=O)c2ncn3c2CN(CC(=O)N(C)C)S(=O)(=O)c2ccccc2-3)C[C@@H]1[NH3+] ZINC001161494282 1069427843 /nfs/dbraw/zinc/42/78/43/1069427843.db2.gz ZAGWZEVHLKJHEG-XJKSGUPXSA-N 1 0 462.532 -0.737 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(N2C[C@H](C)O[C@@H](C)C2)C1)C(=O)CF ZINC001161499085 1069427979 /nfs/dbraw/zinc/42/79/79/1069427979.db2.gz NOJZZWPEHXHEGP-BHZNCXQASA-N 1 0 471.574 -0.792 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(N2C[C@@H](C)O[C@H](C)C2)C1)C(=O)CF ZINC001161499087 1069427957 /nfs/dbraw/zinc/42/79/57/1069427957.db2.gz NOJZZWPEHXHEGP-FWBKQUHXSA-N 1 0 471.574 -0.792 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(N2C[C@@H](C)O[C@@H](C)C2)C1)C(=O)CF ZINC001161499088 1069428009 /nfs/dbraw/zinc/42/80/09/1069428009.db2.gz NOJZZWPEHXHEGP-KXCAHRFWSA-N 1 0 471.574 -0.792 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C[C@H]2C(=O)N(C)C ZINC001161506164 1069427986 /nfs/dbraw/zinc/42/79/86/1069427986.db2.gz BOBMPGIYQBYDNK-HBMCJLEFSA-N 1 0 469.586 -0.058 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C[C@@H]2C(=O)N(C)C ZINC001161506165 1069427672 /nfs/dbraw/zinc/42/76/72/1069427672.db2.gz BOBMPGIYQBYDNK-NJYVYQBISA-N 1 0 469.586 -0.058 20 0 JBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161506195 1069428367 /nfs/dbraw/zinc/42/83/67/1069428367.db2.gz CDQIVSNQGQLITF-IKGGRYGDSA-N 1 0 487.692 -0.300 20 0 JBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161506196 1069428543 /nfs/dbraw/zinc/42/85/43/1069428543.db2.gz CDQIVSNQGQLITF-ULQDDVLXSA-N 1 0 487.692 -0.300 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]2C(=O)N(C)C ZINC001161506521 1069428573 /nfs/dbraw/zinc/42/85/73/1069428573.db2.gz KBHCAICGTUEJMC-BZSNNMDCSA-N 1 0 465.595 -0.485 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@@H]2C(=O)N(C)C ZINC001161506522 1069428445 /nfs/dbraw/zinc/42/84/45/1069428445.db2.gz KBHCAICGTUEJMC-SQNIBIBYSA-N 1 0 465.595 -0.485 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)C[C@@H]2C(=O)N(C)C ZINC001161506585 1069428647 /nfs/dbraw/zinc/42/86/47/1069428647.db2.gz LWMNLJTVEMAHPQ-AEFFLSMTSA-N 1 0 455.519 -0.601 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)C[C@H]2C(=O)N(C)C ZINC001161506586 1069428705 /nfs/dbraw/zinc/42/87/05/1069428705.db2.gz LWMNLJTVEMAHPQ-FUHWJXTLSA-N 1 0 455.519 -0.601 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)C[C@@H]2C(=O)N(C)C ZINC001161506587 1069428468 /nfs/dbraw/zinc/42/84/68/1069428468.db2.gz LWMNLJTVEMAHPQ-SJLPKXTDSA-N 1 0 455.519 -0.601 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)C[C@H]2C(=O)N(C)C ZINC001161506588 1069428601 /nfs/dbraw/zinc/42/86/01/1069428601.db2.gz LWMNLJTVEMAHPQ-WMZOPIPTSA-N 1 0 455.519 -0.601 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)c1cccc(S(=O)(=O)NC3CC[NH2+]CC3)c1)C[C@H]2C(=O)N(C)C ZINC001161506613 1069428411 /nfs/dbraw/zinc/42/84/11/1069428411.db2.gz MMTYVGHCLVQEKF-FQEVSTJZSA-N 1 0 491.614 -0.274 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)c1cccc(S(=O)(=O)NC3CC[NH2+]CC3)c1)C[C@@H]2C(=O)N(C)C ZINC001161506614 1069428329 /nfs/dbraw/zinc/42/83/29/1069428329.db2.gz MMTYVGHCLVQEKF-HXUWFJFHSA-N 1 0 491.614 -0.274 20 0 JBADRO CN(C)C(=O)CN1Cc2c(C(=O)N3C[C@H]([NH3+])C4(COC4)C3)ncn2-c2ccccc2S1(=O)=O ZINC001161506655 1069428590 /nfs/dbraw/zinc/42/85/90/1069428590.db2.gz NBYPQYXPVZCWAM-KRWDZBQOSA-N 1 0 474.543 -0.736 20 0 JBADRO CN(C)C(=O)CN1Cc2c(C(=O)N3C[C@@H]([NH3+])C4(COC4)C3)ncn2-c2ccccc2S1(=O)=O ZINC001161506656 1069428424 /nfs/dbraw/zinc/42/84/24/1069428424.db2.gz NBYPQYXPVZCWAM-QGZVFWFLSA-N 1 0 474.543 -0.736 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)C[NH3+])C[C@H]2C(=O)N(C)C ZINC001161507054 1069428488 /nfs/dbraw/zinc/42/84/88/1069428488.db2.gz REHVMZUAGPTBCK-ICSRJNTNSA-N 1 0 468.558 -0.451 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)C[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161507055 1069428668 /nfs/dbraw/zinc/42/86/68/1069428668.db2.gz REHVMZUAGPTBCK-QUCCMNQESA-N 1 0 468.558 -0.451 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C[C@H]2C(=O)N(C)C ZINC001161508106 1069428635 /nfs/dbraw/zinc/42/86/35/1069428635.db2.gz WWDUWXJXFCLMPI-ACRUOGEOSA-N 1 0 469.586 -0.139 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C[C@@H]2C(=O)N(C)C ZINC001161508108 1069428661 /nfs/dbraw/zinc/42/86/61/1069428661.db2.gz WWDUWXJXFCLMPI-HKBOAZHASA-N 1 0 469.586 -0.139 20 0 JBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161508317 1069429414 /nfs/dbraw/zinc/42/94/14/1069429414.db2.gz YFLSMIMKOGSPAN-DKIMLUQUSA-N 1 0 469.652 -0.007 20 0 JBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001161508319 1069429227 /nfs/dbraw/zinc/42/92/27/1069429227.db2.gz YFLSMIMKOGSPAN-RANZSIQMSA-N 1 0 469.652 -0.007 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1)C[C@@H]2C(=O)N(C)C ZINC001161508369 1069429304 /nfs/dbraw/zinc/42/93/04/1069429304.db2.gz ZCGVYWBADAMNON-MSOLQXFVSA-N 1 0 458.563 -0.296 20 0 JBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1)C[C@H]2C(=O)N(C)C ZINC001161508371 1069429045 /nfs/dbraw/zinc/42/90/45/1069429045.db2.gz ZCGVYWBADAMNON-ROUUACIJSA-N 1 0 458.563 -0.296 20 0 JBADRO Cn1cc(-c2ccc(C3CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC3)cc2)cn1 ZINC001161510556 1069429286 /nfs/dbraw/zinc/42/92/86/1069429286.db2.gz ZSOYVUROWVXUSQ-UHFFFAOYSA-N 1 0 469.546 -0.900 20 0 JBADRO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161523196 1069429145 /nfs/dbraw/zinc/42/91/45/1069429145.db2.gz KLPLJQULXQGXRQ-LLVKDONJSA-N 1 0 454.325 -0.970 20 0 JBADRO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161523197 1069429383 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JYSPUJNSFNKGAQ-ULQDDVLXSA-N 1 0 479.557 -0.154 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1ncnc(Cl)c1C(N)=O)C(N)=O ZINC001162858616 1069445085 /nfs/dbraw/zinc/44/50/85/1069445085.db2.gz KSSWRZOCWITNHT-YDHLFZDLSA-N 1 0 497.000 -0.245 20 0 JBADRO COC(=O)c1ccnc(N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC001162858636 1069445167 /nfs/dbraw/zinc/44/51/67/1069445167.db2.gz LVEJHDFSFQCJLH-XIRDDKMYSA-N 1 0 477.566 -0.210 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cncc(C(N)=O)n1)C(N)=O ZINC001162858647 1069445122 /nfs/dbraw/zinc/44/51/22/1069445122.db2.gz MHEGTBOSAVBWOB-QRTARXTBSA-N 1 0 462.555 -0.898 20 0 JBADRO COC(=O)c1cc(N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)ncc1N ZINC001162858668 1069445025 /nfs/dbraw/zinc/44/50/25/1069445025.db2.gz NCDHEVRWRAOSJE-LNLFQRSKSA-N 1 0 491.593 -0.023 20 0 JBADRO CCNC(=O)c1ccc(N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)nn1 ZINC001162858713 1069445159 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CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1ccc(C(N)=O)cn1)C(N)=O ZINC001162858778 1069445671 /nfs/dbraw/zinc/44/56/71/1069445671.db2.gz SAXVYADCDXCNEJ-BQFCYCMXSA-N 1 0 461.567 -0.293 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cncc(C(=O)N(C)C)n1)C(N)=O ZINC001162858790 1069445765 /nfs/dbraw/zinc/44/57/65/1069445765.db2.gz SRBINQPCPKBGSX-IEZWGBDMSA-N 1 0 490.609 -0.295 20 0 JBADRO CCOC(=O)c1nccc(N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC001162858793 1069445814 /nfs/dbraw/zinc/44/58/14/1069445814.db2.gz STEHMZKCMNJGGW-BQFCYCMXSA-N 1 0 491.593 -0.398 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1nccc2c1C(=O)NC2)C(N)=O ZINC001162858817 1069445693 /nfs/dbraw/zinc/44/56/93/1069445693.db2.gz UVDSKTVHRXNVIX-BQFCYCMXSA-N 1 0 473.578 -0.148 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cncc(-n2cncn2)n1)C(N)=O ZINC001162858857 1069445748 /nfs/dbraw/zinc/44/57/48/1069445748.db2.gz 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/nfs/dbraw/zinc/45/09/14/1069450914.db2.gz KNUYGRLWUSUYML-OQPBUACISA-N 1 0 490.287 -0.891 20 0 JBADRO NS(=O)(=O)c1c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ccc(I)c1-c1nn[nH]n1 ZINC001163240695 1069450964 /nfs/dbraw/zinc/45/09/64/1069450964.db2.gz KNUYGRLWUSUYML-SDBXPKJASA-N 1 0 490.287 -0.891 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001163268549 1069450958 /nfs/dbraw/zinc/45/09/58/1069450958.db2.gz LOKSLBNJBHWLPM-UWMPJJAOSA-N 1 0 494.501 -0.317 20 0 JBADRO NS(=O)(=O)c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ccc(I)c1-c1nn[nH]n1 ZINC001163342513 1069450871 /nfs/dbraw/zinc/45/08/71/1069450871.db2.gz RGVGTHOFFOTMER-HDBBIHSSSA-N 1 0 477.288 -0.340 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H]3C[NH+]4CCC3CC4)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001163394290 1069450692 /nfs/dbraw/zinc/45/06/92/1069450692.db2.gz FADBJUCXBCSTBB-PPVISPMTSA-N 1 0 494.501 -0.221 20 0 JBADRO NC(=O)c1nc(Cl)cnc1-n1cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C(N)=O)c2ccccc21 ZINC001163426666 1069450925 /nfs/dbraw/zinc/45/09/25/1069450925.db2.gz CELMTEQDFWUIIE-GJZGRUSLSA-N 1 0 495.931 -0.022 20 0 JBADRO NC(=O)c1cccc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)n1 ZINC001163427064 1069451640 /nfs/dbraw/zinc/45/16/40/1069451640.db2.gz HSLZTGLJOHMZMZ-WMZOPIPTSA-N 1 0 460.498 -0.070 20 0 JBADRO NC(=O)[C@H](Cc1cn(-c2cc(S(N)(=O)=O)ccn2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163427071 1069451370 /nfs/dbraw/zinc/45/13/70/1069451370.db2.gz HXRFGTABDSAEKG-ROUUACIJSA-N 1 0 496.553 -0.521 20 0 JBADRO NC(=O)c1ccnc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)n1 ZINC001163427082 1069451406 /nfs/dbraw/zinc/45/14/06/1069451406.db2.gz IGCVBCQYQNKPPT-RDJZCZTQSA-N 1 0 461.486 -0.675 20 0 JBADRO NC(=O)c1cnc(Cl)nc1-n1cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C(N)=O)c2ccccc21 ZINC001163427197 1069451744 /nfs/dbraw/zinc/45/17/44/1069451744.db2.gz JQKKZCHQKBALKT-HOTGVXAUSA-N 1 0 495.931 -0.022 20 0 JBADRO NC(=O)c1cncc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)n1 ZINC001163427314 1069451697 /nfs/dbraw/zinc/45/16/97/1069451697.db2.gz KUFLYMOCQNAMMK-HOTGVXAUSA-N 1 0 461.486 -0.675 20 0 JBADRO CNC(=O)c1ccc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)nn1 ZINC001163427820 1069451579 /nfs/dbraw/zinc/45/15/79/1069451579.db2.gz LXVAZFRDUUIFER-WMZOPIPTSA-N 1 0 475.513 -0.414 20 0 JBADRO Cc1nc(N(C)C)nc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)n1 ZINC001163427837 1069451313 /nfs/dbraw/zinc/45/13/13/1069451313.db2.gz MGYGCDSULQTYNZ-ROUUACIJSA-N 1 0 476.545 -0.004 20 0 JBADRO CN(C)C(=O)c1cncc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)n1 ZINC001163428047 1069451718 /nfs/dbraw/zinc/45/17/18/1069451718.db2.gz PYNYUWDKJYFNKN-ROUUACIJSA-N 1 0 489.540 -0.072 20 0 JBADRO NC(=O)c1cccnc1-n1cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C(N)=O)c2ccccc21 ZINC001163428162 1069451665 /nfs/dbraw/zinc/45/16/65/1069451665.db2.gz RUTLVDQISRREGW-ROUUACIJSA-N 1 0 460.498 -0.070 20 0 JBADRO NC(=O)[C@H](Cc1cn(-c2ccc(S(N)(=O)=O)cn2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163428821 1069451593 /nfs/dbraw/zinc/45/15/93/1069451593.db2.gz UBJVPYGRUFRXQO-ROUUACIJSA-N 1 0 496.553 -0.521 20 0 JBADRO NC(=O)c1ccnc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)c1 ZINC001163428857 1069451681 /nfs/dbraw/zinc/45/16/81/1069451681.db2.gz UDOFMMQZKRBNJR-ROUUACIJSA-N 1 0 460.498 -0.070 20 0 JBADRO NC(=O)c1ccc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)nn1 ZINC001163428877 1069451525 /nfs/dbraw/zinc/45/15/25/1069451525.db2.gz UFPXTCVUFUCWSU-RDJZCZTQSA-N 1 0 461.486 -0.675 20 0 JBADRO NC(=O)c1cc(Cl)nc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)n1 ZINC001163428916 1069451613 /nfs/dbraw/zinc/45/16/13/1069451613.db2.gz UPOHWMOTEIATPA-GJZGRUSLSA-N 1 0 495.931 -0.022 20 0 JBADRO NC(=O)c1ncc(Cl)nc1-n1cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C(N)=O)c2ccccc21 ZINC001163429224 1069452258 /nfs/dbraw/zinc/45/22/58/1069452258.db2.gz VUABATGIWOLNJQ-GJZGRUSLSA-N 1 0 495.931 -0.022 20 0 JBADRO NC(=O)c1ccc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)nc1 ZINC001163429291 1069452362 /nfs/dbraw/zinc/45/23/62/1069452362.db2.gz ZFEKCACUZJZYRC-ROUUACIJSA-N 1 0 460.498 -0.070 20 0 JBADRO NC(=O)c1c(Cl)ncnc1-n1cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C(N)=O)c2ccccc21 ZINC001163429308 1069452328 /nfs/dbraw/zinc/45/23/28/1069452328.db2.gz ZVIDLRHSXFLOLF-GJZGRUSLSA-N 1 0 495.931 -0.022 20 0 JBADRO CCNC(=O)c1ccc(-n2cc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C(N)=O)c3ccccc32)nn1 ZINC001163429345 1069452415 /nfs/dbraw/zinc/45/24/15/1069452415.db2.gz ZZVVDUGTMAVHEY-HKUYNNGSSA-N 1 0 489.540 -0.024 20 0 JBADRO CCc1cc(N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)nc(N2CCOCC2)[nH+]1 ZINC001163431682 1069452241 /nfs/dbraw/zinc/45/22/41/1069452241.db2.gz CEEOUNHLROLRLG-WNYOCNMUSA-N 1 0 472.546 -0.045 20 0 JBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1cccc(N2CC[NH+](C)CC2)n1)C(N)=O ZINC001163432459 1069452280 /nfs/dbraw/zinc/45/22/80/1069452280.db2.gz HTWXWSSHBBEFQC-YWMUFLPLSA-N 1 0 456.547 -0.087 20 0 JBADRO NC(=O)[C@H](Cc1cn(-c2cccc(S(N)(=O)=O)n2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163433743 1069453167 /nfs/dbraw/zinc/45/31/67/1069453167.db2.gz QVGCMNRKMDYGTM-IRXDYDNUSA-N 1 0 496.553 -0.521 20 0 JBADRO CCOC(=O)c1cn(-c2ncc(C(=O)OC)cc2S(=O)(=O)N2CCOCC2)nc1C[NH3+] ZINC001163523003 1069459924 /nfs/dbraw/zinc/45/99/24/1069459924.db2.gz XMDMPAKNKUKOFQ-UHFFFAOYSA-N 1 0 453.477 -0.290 20 0 JBADRO C[NH2+]C1CN(c2ncnc3c2ncn3[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)C1 ZINC001163700848 1069459836 /nfs/dbraw/zinc/45/98/36/1069459836.db2.gz AHMVWQHWFKTVPR-WVSUBDOOSA-N 1 0 462.463 -0.442 20 0 JBADRO C[NH2+]CCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC001163718790 1069459867 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489.646 -0.057 20 0 JBADRO CNS(=O)(=O)c1cccnc1N1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001165188969 1069462738 /nfs/dbraw/zinc/46/27/38/1069462738.db2.gz HOSSHWITZMOEEY-CABCVRRESA-N 1 0 458.535 -0.290 20 0 JBADRO CNS(=O)(=O)c1cccnc1N1CCN([C@H]2C[NH2+][C@@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001165188970 1069462741 /nfs/dbraw/zinc/46/27/41/1069462741.db2.gz HOSSHWITZMOEEY-HUUCEWRRSA-N 1 0 458.535 -0.290 20 0 JBADRO CNS(=O)(=O)c1cccnc1N1CCN([C@@H]2C[NH2+][C@@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001165188971 1069462791 /nfs/dbraw/zinc/46/27/91/1069462791.db2.gz HOSSHWITZMOEEY-LSDHHAIUSA-N 1 0 458.535 -0.290 20 0 JBADRO NC(=O)[C@@H]1CCCN1c1cc(N2CCN([C@@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)ncn1 ZINC001165189997 1069462716 /nfs/dbraw/zinc/46/27/16/1069462716.db2.gz HDVAPUILBZDECV-BBWFWOEESA-N 1 0 478.548 -0.349 20 0 JBADRO NC(=O)[C@@H]1CCCN1c1cc(N2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)ncn1 ZINC001165189998 1069462825 /nfs/dbraw/zinc/46/28/25/1069462825.db2.gz HDVAPUILBZDECV-IKGGRYGDSA-N 1 0 478.548 -0.349 20 0 JBADRO NC(=O)[C@@H]1CCCN1c1cc(N2CCN([C@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)ncn1 ZINC001165189999 1069462735 /nfs/dbraw/zinc/46/27/35/1069462735.db2.gz HDVAPUILBZDECV-ZACQAIPSSA-N 1 0 478.548 -0.349 20 0 JBADRO CN1CCN(c2nccc(N3CCN([C@H]4C[NH2+][C@H](C(=O)N5CCC(F)(F)C5)C4)CC3)n2)CC1 ZINC001165190057 1069462707 /nfs/dbraw/zinc/46/27/07/1069462707.db2.gz IIOSESYQIWJJHJ-MSOLQXFVSA-N 1 0 464.565 -0.052 20 0 JBADRO CN1CCN(c2nccc(N3CCN([C@H]4C[NH2+][C@@H](C(=O)N5CCC(F)(F)C5)C4)CC3)n2)CC1 ZINC001165190058 1069462816 /nfs/dbraw/zinc/46/28/16/1069462816.db2.gz IIOSESYQIWJJHJ-QZTJIDSGSA-N 1 0 464.565 -0.052 20 0 JBADRO CN1CCN(c2nccc(N3CCN([C@@H]4C[NH2+][C@@H](C(=O)N5CCC(F)(F)C5)C4)CC3)n2)CC1 ZINC001165190059 1069462755 /nfs/dbraw/zinc/46/27/55/1069462755.db2.gz IIOSESYQIWJJHJ-ZWKOTPCHSA-N 1 0 464.565 -0.052 20 0 JBADRO CN1CC(=O)Nc2cnc(N3CCN([C@H]4C[NH2+][C@H](C(=O)N5CCC(F)(F)C5)C4)CC3)nc21 ZINC001165190826 1069463406 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1 0 499.572 -0.500 20 0 JBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169197985 1068495279 /nfs/dbraw/zinc/49/52/79/1068495279.db2.gz ZBSDDCNYIVDQOI-YJBOKZPZSA-N 1 0 499.572 -0.500 20 0 JBADRO CC(=O)N1CCOC[C@@]2(C[N@H+]([C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CCO2)C1 ZINC001169200619 1068495412 /nfs/dbraw/zinc/49/54/12/1068495412.db2.gz AAMAGCLLQQFHCS-GAJHUEQPSA-N 1 0 476.578 -0.058 20 0 JBADRO CC(=O)N1CCOC[C@]2(C[N@H+]([C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CCO2)C1 ZINC001169200622 1068495506 /nfs/dbraw/zinc/49/55/06/1068495506.db2.gz AAMAGCLLQQFHCS-HXOBKFHXSA-N 1 0 476.578 -0.058 20 0 JBADRO CC(=O)N1CCOC[C@]2(C[N@H+]([C@@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CCO2)C1 ZINC001169200624 1068495181 /nfs/dbraw/zinc/49/51/81/1068495181.db2.gz AAMAGCLLQQFHCS-SBUREZEXSA-N 1 0 476.578 -0.058 20 0 JBADRO CC(=O)N1CCOC[C@@]2(C[N@H+]([C@H](C)CCCCn3c(=O)c4c(ncn4C)n(C)c3=O)CCO2)C1 ZINC001169200627 1068496235 /nfs/dbraw/zinc/49/62/35/1068496235.db2.gz AAMAGCLLQQFHCS-UZUQRXQVSA-N 1 0 476.578 -0.058 20 0 JBADRO CC(=O)N1CCO[C@]2(C1)COCC[N@@H+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169201003 1068496312 /nfs/dbraw/zinc/49/63/12/1068496312.db2.gz DZWXPDATIUJYNM-GAJHUEQPSA-N 1 0 476.578 -0.058 20 0 JBADRO CC(=O)N1CCO[C@@]2(C1)COCC[N@@H+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169201004 1068496269 /nfs/dbraw/zinc/49/62/69/1068496269.db2.gz DZWXPDATIUJYNM-HXOBKFHXSA-N 1 0 476.578 -0.058 20 0 JBADRO CC(=O)N1CCO[C@@]2(C1)COCC[N@@H+]([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169201005 1068496130 /nfs/dbraw/zinc/49/61/30/1068496130.db2.gz DZWXPDATIUJYNM-SBUREZEXSA-N 1 0 476.578 -0.058 20 0 JBADRO CC(=O)N1CCO[C@]2(C1)COCC[N@@H+]([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169201006 1068496060 /nfs/dbraw/zinc/49/60/60/1068496060.db2.gz DZWXPDATIUJYNM-UZUQRXQVSA-N 1 0 476.578 -0.058 20 0 JBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CCN2CCOCC2)CC1 ZINC001169201279 1068496208 /nfs/dbraw/zinc/49/62/08/1068496208.db2.gz IMRPIOUVFGSSAM-IBGZPJMESA-N 1 0 461.611 -0.058 20 0 JBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CCN2CCOCC2)CC1 ZINC001169201280 1068496300 /nfs/dbraw/zinc/49/63/00/1068496300.db2.gz IMRPIOUVFGSSAM-LJQANCHMSA-N 1 0 461.611 -0.058 20 0 JBADRO CCN1C[C@@]23C[N@@H+]([C@H](C)CCCCn4c(=O)c5c(ncn5C)n(C)c4=O)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001169201301 1068496106 /nfs/dbraw/zinc/49/61/06/1068496106.db2.gz FIZQOPYXMQGGKU-FSNCLGKMSA-N 1 0 494.618 -0.130 20 0 JBADRO CCN1C[C@@]23C[N@@H+]([C@@H](C)CCCCn4c(=O)c5c(ncn5C)n(C)c4=O)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001169201302 1068495991 /nfs/dbraw/zinc/49/59/91/1068495991.db2.gz FIZQOPYXMQGGKU-GEYWLOKFSA-N 1 0 494.618 -0.130 20 0 JBADRO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)O1 ZINC001169201712 1068496197 /nfs/dbraw/zinc/49/61/97/1068496197.db2.gz ICRHWTVRTYGRQI-MLHJIOFPSA-N 1 0 476.578 -0.013 20 0 JBADRO 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C[C@H]([NH2+]C1CCC(S(C)(=O)=O)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169870155 1068503749 /nfs/dbraw/zinc/50/37/49/1068503749.db2.gz HOJWUAHVZCCNIZ-HKFAYQRXSA-N 1 0 468.576 -0.645 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc3c(n1)CCNC3=O)c(N)nc2=O ZINC001169975720 1068504291 /nfs/dbraw/zinc/50/42/91/1068504291.db2.gz AXPBADDLIGTIGW-HNNXBMFYSA-N 1 0 470.490 -0.654 20 0 JBADRO COC(=O)c1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nc1 ZINC001169975723 1068504386 /nfs/dbraw/zinc/50/43/86/1068504386.db2.gz AYIMPHZISBNISI-AWEZNQCLSA-N 1 0 459.463 -0.153 20 0 JBADRO CNC(=O)c1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nc1 ZINC001169976102 1068504186 /nfs/dbraw/zinc/50/41/86/1068504186.db2.gz DCFDISOPKWNEOM-AWEZNQCLSA-N 1 0 458.479 -0.580 20 0 JBADRO Cc1cc(C)c(C(N)=O)c(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)n1 ZINC001169976402 1068504270 /nfs/dbraw/zinc/50/42/70/1068504270.db2.gz GWRPTOQVEWREFG-AWEZNQCLSA-N 1 0 472.506 -0.224 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ncccc1C(=O)N(C)C)c(N)nc2=O ZINC001169976449 1068504411 /nfs/dbraw/zinc/50/44/11/1068504411.db2.gz HLJHQVOJBWZYMB-AWEZNQCLSA-N 1 0 472.506 -0.238 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cn(C)c(=O)c3[nH]ccc31)c(N)nc2=O ZINC001169979540 1068504964 /nfs/dbraw/zinc/50/49/64/1068504964.db2.gz ALGHZZKBGKEUPP-AWEZNQCLSA-N 1 0 470.490 -0.155 20 0 JBADRO COCCn1cccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1=O ZINC001169979542 1068505217 /nfs/dbraw/zinc/50/52/17/1068505217.db2.gz AOCCDQOQUSUBIF-HNNXBMFYSA-N 1 0 475.506 -0.527 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cn(C3CCC3)c(=O)cn1)c(N)nc2=O ZINC001169979577 1068505149 /nfs/dbraw/zinc/50/51/49/1068505149.db2.gz DDCQAEYXMJTGHJ-INIZCTEOSA-N 1 0 472.506 -0.053 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cn(C(C)C)c(=O)cn1)c(N)nc2=O ZINC001169979605 1068505824 /nfs/dbraw/zinc/50/58/24/1068505824.db2.gz FNTXYNGUYMRLRQ-HNNXBMFYSA-N 1 0 460.495 -0.197 20 0 JBADRO 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CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccnn(CC3CC3)c1=O)c(N)nc2=O ZINC001169980026 1068505231 /nfs/dbraw/zinc/50/52/31/1068505231.db2.gz LNEJAELFXIUIBT-HNNXBMFYSA-N 1 0 472.506 -0.368 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc3c1CC(=O)NC3)c(N)nc2=O ZINC001169980271 1068504803 /nfs/dbraw/zinc/50/48/03/1068504803.db2.gz MYSJYBWXAWIUIU-KRWDZBQOSA-N 1 0 469.502 -0.163 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cnc(=O)n(C(C)C)c1)c(N)nc2=O ZINC001169980276 1068504873 /nfs/dbraw/zinc/50/48/73/1068504873.db2.gz NLHRQMBBLDFFOB-AWEZNQCLSA-N 1 0 460.495 -0.197 20 0 JBADRO CC(C)Cn1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cnc1=O ZINC001169980277 1068505194 /nfs/dbraw/zinc/50/51/94/1068505194.db2.gz NMSDCNXUJQMTDF-HNNXBMFYSA-N 1 0 474.522 -0.122 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(C(=O)N(C)C)nc1)c(N)nc2=O ZINC001169980318 1068504773 /nfs/dbraw/zinc/50/47/73/1068504773.db2.gz QHOWYPMPFDWWCF-HNNXBMFYSA-N 1 0 472.506 -0.238 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc([S@@](C)=O)cn1)c(N)nc2=O ZINC001169980326 1068505118 /nfs/dbraw/zinc/50/51/18/1068505118.db2.gz QZEHSZNRGVMRMW-BAJJSZBSSA-N 1 0 463.520 -0.203 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc([S@](C)=O)cn1)c(N)nc2=O ZINC001169980327 1068504937 /nfs/dbraw/zinc/50/49/37/1068504937.db2.gz QZEHSZNRGVMRMW-BYLKAPHFSA-N 1 0 463.520 -0.203 20 0 JBADRO COC(=O)Cc1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)ccn1 ZINC001169980333 1068504834 /nfs/dbraw/zinc/50/48/34/1068504834.db2.gz RBZDBFNRJIVJLK-INIZCTEOSA-N 1 0 473.490 -0.225 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc3c(cn1)C(=O)NCC3)c(N)nc2=O ZINC001169980337 1068505064 /nfs/dbraw/zinc/50/50/64/1068505064.db2.gz RGGUMCBILSESSC-HNNXBMFYSA-N 1 0 470.490 -0.654 20 0 JBADRO Cc1nc(C(N)=O)ccc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169980423 1068506483 /nfs/dbraw/zinc/50/64/83/1068506483.db2.gz UGCZUZDPSZOPHZ-AWEZNQCLSA-N 1 0 458.479 -0.533 20 0 JBADRO 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470.490 -0.354 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc3c(cn1)CC(=O)N3)c(N)nc2=O ZINC001169983277 1068507376 /nfs/dbraw/zinc/50/73/76/1068507376.db2.gz UMKIJAZLIHSZDZ-HNNXBMFYSA-N 1 0 456.463 -0.445 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1nc3c(cc1C(N)=O)CCC3)c(N)nc2=O ZINC001169983299 1068507349 /nfs/dbraw/zinc/50/73/49/1068507349.db2.gz VEKPTYKLISSWCR-HNNXBMFYSA-N 1 0 484.517 -0.352 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc(C(=O)N(C)C)ccn1)c(N)nc2=O ZINC001169983324 1068507198 /nfs/dbraw/zinc/50/71/98/1068507198.db2.gz WXWRXAKXLBBQPH-HNNXBMFYSA-N 1 0 472.506 -0.238 20 0 JBADRO COC(=O)Cc1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)nc1 ZINC001169983366 1068507186 /nfs/dbraw/zinc/50/71/86/1068507186.db2.gz ZDGONXPKZWFJQW-INIZCTEOSA-N 1 0 473.490 -0.225 20 0 JBADRO C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001170037638 1068510194 /nfs/dbraw/zinc/51/01/94/1068510194.db2.gz IOCFZKVORPVJST-IBAOVYTMSA-N 1 0 491.607 -0.669 20 0 JBADRO C[C@@H]1O[C@@H](OCC[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001170037639 1068510407 /nfs/dbraw/zinc/51/04/07/1068510407.db2.gz IOCFZKVORPVJST-OGOGNLSHSA-N 1 0 491.607 -0.669 20 0 JBADRO NS(=O)(=O)c1c(NC[C@@H]2COCC[NH2+]2)ccc(I)c1-c1nn[nH]n1 ZINC001170043383 1068510483 /nfs/dbraw/zinc/51/04/83/1068510483.db2.gz HCVYWLAXMRNTFT-SSDOTTSWSA-N 1 0 465.277 -0.481 20 0 JBADRO NS(=O)(=O)c1c(NC[C@H]2COCC[NH2+]2)ccc(I)c1-c1nn[nH]n1 ZINC001170043389 1068510521 /nfs/dbraw/zinc/51/05/21/1068510521.db2.gz HCVYWLAXMRNTFT-ZETCQYMHSA-N 1 0 465.277 -0.481 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(N(C)C(C)(C)C[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170060144 1068510540 /nfs/dbraw/zinc/51/05/40/1068510540.db2.gz IWEGLYVFCFRBIP-YFHUEUNASA-N 1 0 470.479 -0.554 20 0 JBADRO CC(C)[C@](C)([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(N)=O ZINC001170129300 1068512750 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ZINC001170567817 1068529258 /nfs/dbraw/zinc/52/92/58/1068529258.db2.gz LYYASHABAPXYDH-OIBJUYFYSA-N 1 0 479.304 -0.093 20 0 JBADRO C[C@@H](Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O)[C@@H]1C[NH2+]CCO1 ZINC001170567819 1068529104 /nfs/dbraw/zinc/52/91/04/1068529104.db2.gz LYYASHABAPXYDH-XCBNKYQSSA-N 1 0 479.304 -0.093 20 0 JBADRO C[C@H](Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O)[C@@H]1C[NH2+]CCO1 ZINC001170567821 1068529066 /nfs/dbraw/zinc/52/90/66/1068529066.db2.gz LYYASHABAPXYDH-XVKPBYJWSA-N 1 0 479.304 -0.093 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H](C)[C@@H]3C[NH2+]CCO3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170572024 1068529944 /nfs/dbraw/zinc/52/99/44/1068529944.db2.gz GNVJKWIIJJQGKD-BMWILJEYSA-N 1 0 498.489 -0.938 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H](C)[C@@H]3C[NH2+]CCO3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170572044 1068529816 /nfs/dbraw/zinc/52/98/16/1068529816.db2.gz GNVJKWIIJJQGKD-CYOWLMICSA-N 1 0 498.489 -0.938 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H](C)[C@H]3C[NH2+]CCO3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170572048 1068529553 /nfs/dbraw/zinc/52/95/53/1068529553.db2.gz GNVJKWIIJJQGKD-NJESXPIASA-N 1 0 498.489 -0.938 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H](C)[C@H]3C[NH2+]CCO3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170572050 1068529866 /nfs/dbraw/zinc/52/98/66/1068529866.db2.gz GNVJKWIIJJQGKD-YDYKZRNWSA-N 1 0 498.489 -0.938 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)N(C(=O)OC(C)(C)C)C1 ZINC001170621890 1068532962 /nfs/dbraw/zinc/53/29/62/1068532962.db2.gz KHSABUBAKXIKNB-CABCVRRESA-N 1 0 472.539 -0.297 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CC[C@@H](C(=O)OCC)N(C(=O)OC(C)(C)C)C1 ZINC001170621891 1068532864 /nfs/dbraw/zinc/53/28/64/1068532864.db2.gz KHSABUBAKXIKNB-GJZGRUSLSA-N 1 0 472.539 -0.297 20 0 JBADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001170627533 1068534045 /nfs/dbraw/zinc/53/40/45/1068534045.db2.gz CJBXGBBMJJJSNR-JYJNAYRXSA-N 1 0 483.566 -0.500 20 0 JBADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001170627536 1068534234 /nfs/dbraw/zinc/53/42/34/1068534234.db2.gz CJBXGBBMJJJSNR-PMPSAXMXSA-N 1 0 483.566 -0.500 20 0 JBADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001170630074 1068534110 /nfs/dbraw/zinc/53/41/10/1068534110.db2.gz QUIYJCBFXAMXFQ-IBAOVYTMSA-N 1 0 462.540 -0.249 20 0 JBADRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)C ZINC001170630077 1068533971 /nfs/dbraw/zinc/53/39/71/1068533971.db2.gz QUIYJCBFXAMXFQ-OGOGNLSHSA-N 1 0 462.540 -0.249 20 0 JBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)C(=O)[O-] ZINC001170693622 1068538523 /nfs/dbraw/zinc/53/85/23/1068538523.db2.gz LKTMOOUNGDJVHU-SFHVURJKSA-N 1 0 464.548 -0.637 20 0 JBADRO 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NS(=O)(=O)c1c(N[C@@H]2C[NH2+]C[C@H]2CO)ccc(I)c1-c1nn[nH]n1 ZINC001170781118 1068544584 /nfs/dbraw/zinc/54/45/84/1068544584.db2.gz WPJQYUPAIOZJHE-IMTBSYHQSA-N 1 0 465.277 -0.889 20 0 JBADRO NS(=O)(=O)c1c(N[C@H]2C[NH2+]C[C@@H]2CO)ccc(I)c1-c1nn[nH]n1 ZINC001170781119 1068544706 /nfs/dbraw/zinc/54/47/06/1068544706.db2.gz WPJQYUPAIOZJHE-MUWHJKNJSA-N 1 0 465.277 -0.889 20 0 JBADRO NS(=O)(=O)c1c(N[C@H]2C[NH2+]C[C@H]2CO)ccc(I)c1-c1nn[nH]n1 ZINC001170781120 1068544543 /nfs/dbraw/zinc/54/45/43/1068544543.db2.gz WPJQYUPAIOZJHE-RCOVLWMOSA-N 1 0 465.277 -0.889 20 0 JBADRO Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3nn(C)c(=O)n(C)c3=O)nc2C(N)=O)nc1C ZINC001170813781 1068546688 /nfs/dbraw/zinc/54/66/88/1068546688.db2.gz MALBSWLEXLWJHA-LSDHHAIUSA-N 1 0 494.560 -0.310 20 0 JBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)CC2)c1 ZINC001170814074 1068546665 /nfs/dbraw/zinc/54/66/65/1068546665.db2.gz QNIAOMFCBHYYPR-HNNXBMFYSA-N 1 0 454.549 -0.266 20 0 JBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](CC(N)=O)C3)CC2)c1 ZINC001170814075 1068546367 /nfs/dbraw/zinc/54/63/67/1068546367.db2.gz QNIAOMFCBHYYPR-OAHLLOKOSA-N 1 0 454.549 -0.266 20 0 JBADRO NC(=O)C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001170815441 1068546599 /nfs/dbraw/zinc/54/65/99/1068546599.db2.gz ZUHZZYQUSSPSQH-HNNXBMFYSA-N 1 0 452.533 -0.512 20 0 JBADRO NC(=O)C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001170815442 1068546439 /nfs/dbraw/zinc/54/64/39/1068546439.db2.gz ZUHZZYQUSSPSQH-OAHLLOKOSA-N 1 0 452.533 -0.512 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(NCC[C@@H](C)[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170894551 1068550515 /nfs/dbraw/zinc/55/05/15/1068550515.db2.gz KMFZRZNYTGJEHQ-SLXBBSSYSA-N 1 0 456.452 -0.578 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nccc(C3C[NH2+]C3)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941494 1068554473 /nfs/dbraw/zinc/55/44/73/1068554473.db2.gz DKJDJRVDMUGIRX-LASHMREHSA-N 1 0 480.474 -0.342 20 0 JBADRO C[NH2+]Cc1cc(N[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)ncn1 ZINC001170941792 1068553821 /nfs/dbraw/zinc/55/38/21/1068553821.db2.gz IDXHJFNUYOIYRR-YHUYVZNPSA-N 1 0 468.463 -0.309 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2[nH+]ncc3c2OCCN3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941824 1068553585 /nfs/dbraw/zinc/55/35/85/1068553585.db2.gz ISNUGAIJIZTUCN-ZZDIOYDHSA-N 1 0 496.473 -0.200 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc3c(nn2)C[NH2+]C3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942204 1068554972 /nfs/dbraw/zinc/55/49/72/1068554972.db2.gz PIDZULUTHZNHAA-YHUYVZNPSA-N 1 0 466.447 -0.425 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cccnc2OC2C[NH2+]C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942699 1068555473 /nfs/dbraw/zinc/55/54/73/1068555473.db2.gz DHKMBEBXWVTTHB-CDVBAKLBSA-N 1 0 495.485 -0.073 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc3c(n2)C[NH2+]CC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942764 1068554382 /nfs/dbraw/zinc/55/43/82/1068554382.db2.gz RGVHNBYMANKDCC-LASHMREHSA-N 1 0 480.474 -0.383 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncnc3c2C[NH2+]CC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942770 1068554305 /nfs/dbraw/zinc/55/43/05/1068554305.db2.gz RQAPGSWVCRXCPW-DRJBRKBZSA-N 1 0 480.474 -0.383 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc(C[NH3+])nc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170943747 1068556057 /nfs/dbraw/zinc/55/60/57/1068556057.db2.gz OTOHKZBEKORMTL-WSIUPNEHSA-N 1 0 454.436 -0.570 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc(OC3C[NH2+]C3)cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170944317 1068556514 /nfs/dbraw/zinc/55/65/14/1068556514.db2.gz XKPAYIXMISNKPV-MSEOUXRUSA-N 1 0 495.485 -0.073 20 0 JBADRO COC(=O)CNC(=O)CNc1cc(C(=O)OC)cc(Oc2cnc(N3CC[NH2+]CC3)nc2)n1 ZINC001170945967 1068557294 /nfs/dbraw/zinc/55/72/94/1068557294.db2.gz RWFUPWDMMIQDMI-UHFFFAOYSA-N 1 0 459.463 -0.439 20 0 JBADRO CCOC(=O)CN(CC[NH3+])c1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001170994263 1068560019 /nfs/dbraw/zinc/56/00/19/1068560019.db2.gz ODLGMFVJTMUZBY-UHFFFAOYSA-N 1 0 495.303 -0.553 20 0 JBADRO COC(OC)c1c(C[N@@H+]2CC[C@H](CO)C2)ccnc1NCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001171082592 1068568434 /nfs/dbraw/zinc/56/84/34/1068568434.db2.gz WJTFXBHKUTYNBE-INIZCTEOSA-N 1 0 490.561 -0.014 20 0 JBADRO COC(OC)c1c(C[N@@H+]2CC[C@@H](CO)C2)ccnc1NCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001171082593 1068568235 /nfs/dbraw/zinc/56/82/35/1068568235.db2.gz WJTFXBHKUTYNBE-MRXNPFEDSA-N 1 0 490.561 -0.014 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(NCC(C)(C)[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001171198626 1068579343 /nfs/dbraw/zinc/57/93/43/1068579343.db2.gz UNYZEOUVUUSHBV-KCYZZUKISA-N 1 0 456.452 -0.578 20 0 JBADRO COC(=O)[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[N@H+](C)C1 ZINC001171240100 1068581772 /nfs/dbraw/zinc/58/17/72/1068581772.db2.gz IZUUIXVDJJDSJU-INIZCTEOSA-N 1 0 456.540 -0.305 20 0 JBADRO COC(=O)[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[N@H+](C)C1 ZINC001171240101 1068582124 /nfs/dbraw/zinc/58/21/24/1068582124.db2.gz IZUUIXVDJJDSJU-MRXNPFEDSA-N 1 0 456.540 -0.305 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171243685 1068585129 /nfs/dbraw/zinc/58/51/29/1068585129.db2.gz XMMLIRMCWFTKNQ-KLVWKZEJSA-N 1 0 495.540 -0.239 20 0 JBADRO CCOC(=O)c1cc2c(cc(C)[nH+]c2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)n1C ZINC001171262915 1068595524 /nfs/dbraw/zinc/59/55/24/1068595524.db2.gz UBTICRZJBRDAPB-KLICCBINSA-N 1 0 458.475 -0.229 20 0 JBADRO N[C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)C4CC[NH2+]CC4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264414 1068597154 /nfs/dbraw/zinc/59/71/54/1068597154.db2.gz FGZUIEATWODHGK-NXWXRZEISA-N 1 0 465.532 -0.910 20 0 JBADRO N[C@H]1[C@H](n2ccc(Nc3cncc(C(=O)N4CCC([NH+]5CCCC5)CC4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264510 1068597022 /nfs/dbraw/zinc/59/70/22/1068597022.db2.gz JWNCKZCDXULXCM-KTDPBYDISA-N 1 0 499.572 -0.506 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](n2cc(Nc3nccnc3C[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001171448680 1068630784 /nfs/dbraw/zinc/63/07/84/1068630784.db2.gz LJULZYWOSWMOGE-YKTARERQSA-N 1 0 492.445 -0.735 20 0 JBADRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)cc1 ZINC001171630917 1068630908 /nfs/dbraw/zinc/63/09/08/1068630908.db2.gz HMMISIFEBZXXLF-RBUKOAKNSA-N 1 0 450.561 -0.527 20 0 JBADRO COc1ccc(NC(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001171631832 1068631772 /nfs/dbraw/zinc/63/17/72/1068631772.db2.gz RFFKTNNHOZDUPV-DLBZAZTESA-N 1 0 454.549 -0.595 20 0 JBADRO C[C@H]([NH2+][C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001171701061 1068631827 /nfs/dbraw/zinc/63/18/27/1068631827.db2.gz GBGFNPXTIGUZFE-LXZKKBNFSA-N 1 0 491.545 -0.465 20 0 JBADRO C[C@H]([NH2+][C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001171701062 1068631903 /nfs/dbraw/zinc/63/19/03/1068631903.db2.gz GBGFNPXTIGUZFE-QRTARXTBSA-N 1 0 491.545 -0.465 20 0 JBADRO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001171740785 1068632442 /nfs/dbraw/zinc/63/24/42/1068632442.db2.gz HCCJJLKCEFMOHN-HZPDHXFCSA-N 1 0 455.533 -0.628 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171868647 1068632754 /nfs/dbraw/zinc/63/27/54/1068632754.db2.gz FQEGFUGKBKGPMQ-FNQTVZJVSA-N 1 0 483.529 -0.380 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171868648 1068632540 /nfs/dbraw/zinc/63/25/40/1068632540.db2.gz FQEGFUGKBKGPMQ-NVWDDTSBSA-N 1 0 483.529 -0.380 20 0 JBADRO CC(C)(C)OC(=O)C1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001171912279 1068632585 /nfs/dbraw/zinc/63/25/85/1068632585.db2.gz YWEBKVZTGFDPOJ-VYPDGURQSA-N 1 0 464.523 -0.174 20 0 JBADRO CCOC(=O)C1(C)CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001171939269 1068633440 /nfs/dbraw/zinc/63/34/40/1068633440.db2.gz LVCQIQGIEKOSMO-TZPIHPJUSA-N 1 0 450.496 -0.562 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172004937 1068633263 /nfs/dbraw/zinc/63/32/63/1068633263.db2.gz KDUCXMXSYHSYLV-HLLBOEOZSA-N 1 0 491.549 -0.637 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172004939 1068633344 /nfs/dbraw/zinc/63/33/44/1068633344.db2.gz KDUCXMXSYHSYLV-VYDXJSESSA-N 1 0 491.549 -0.637 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172004943 1068633381 /nfs/dbraw/zinc/63/33/81/1068633381.db2.gz KDUCXMXSYHSYLV-YQQAZPJKSA-N 1 0 491.549 -0.637 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCN(C3CC3)C(=O)C1)c(N)nc2=O ZINC001172004944 1068633335 /nfs/dbraw/zinc/63/33/35/1068633335.db2.gz KDUCXMXSYHSYLV-ZOBUZTSGSA-N 1 0 491.549 -0.637 20 0 JBADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCN(C3CC3)C(=O)C2)cn1 ZINC001172008991 1068633388 /nfs/dbraw/zinc/63/33/88/1068633388.db2.gz VYPULUOQGAWEQM-HOJAQTOUSA-N 1 0 454.531 -0.003 20 0 JBADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCN(C3CC3)C(=O)C2)cn1 ZINC001172008992 1068633508 /nfs/dbraw/zinc/63/35/08/1068633508.db2.gz VYPULUOQGAWEQM-IHPCNDPISA-N 1 0 454.531 -0.003 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H]1CCN(C2CC2)C(=O)C1)C(N)=O ZINC001172017300 1068634147 /nfs/dbraw/zinc/63/41/47/1068634147.db2.gz XRHRAZYWAHDCEI-PVAVHDDUSA-N 1 0 455.625 -0.017 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H]1CCN(C2CC2)C(=O)C1)C(N)=O ZINC001172017301 1068633940 /nfs/dbraw/zinc/63/39/40/1068633940.db2.gz XRHRAZYWAHDCEI-XIRDDKMYSA-N 1 0 455.625 -0.017 20 0 JBADRO CCN1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC1=O ZINC001172029719 1068633966 /nfs/dbraw/zinc/63/39/66/1068633966.db2.gz TUZGVLTVCVNZQP-DZKIICNBSA-N 1 0 479.538 -0.780 20 0 JBADRO CCN1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)CC1=O ZINC001172029748 1068634026 /nfs/dbraw/zinc/63/40/26/1068634026.db2.gz TUZGVLTVCVNZQP-IJEWVQPXSA-N 1 0 479.538 -0.780 20 0 JBADRO CCN1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)CC1=O ZINC001172029749 1068634102 /nfs/dbraw/zinc/63/41/02/1068634102.db2.gz TUZGVLTVCVNZQP-OFQRWUPVSA-N 1 0 479.538 -0.780 20 0 JBADRO CCN1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC1=O ZINC001172029750 1068634131 /nfs/dbraw/zinc/63/41/31/1068634131.db2.gz TUZGVLTVCVNZQP-YCPHGPKFSA-N 1 0 479.538 -0.780 20 0 JBADRO CCN1CC[C@@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1=O ZINC001172036996 1068634164 /nfs/dbraw/zinc/63/41/64/1068634164.db2.gz NCNMLHPLOTXDGO-OPYAIIAOSA-N 1 0 456.609 -0.028 20 0 JBADRO CCN1CC[C@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1=O ZINC001172037001 1068634212 /nfs/dbraw/zinc/63/42/12/1068634212.db2.gz NCNMLHPLOTXDGO-UEXGIBASSA-N 1 0 456.609 -0.028 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172129353 1068634719 /nfs/dbraw/zinc/63/47/19/1068634719.db2.gz UZBOBBPFBGPVEH-PPYVMYADSA-N 1 0 486.518 -0.479 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(C1C[C@@H]3COC[C@H](C1)N3C)c(N)nc2=O ZINC001172130658 1068635039 /nfs/dbraw/zinc/63/50/39/1068635039.db2.gz LBEWXRQPEVJJIG-UYTSQGDYSA-N 1 0 463.539 -0.290 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C)C(N)=O ZINC001172135389 1068634872 /nfs/dbraw/zinc/63/48/72/1068634872.db2.gz SJZREQZCRFCFRL-KKGYMGPXSA-N 1 0 457.641 -0.308 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCN3C(=O)CC[C@@H]3C1)c(N)nc2=O ZINC001172150946 1068635857 /nfs/dbraw/zinc/63/58/57/1068635857.db2.gz QOSBGSCFXDTZIP-AESZEHBQSA-N 1 0 491.549 -0.637 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCN3C(=O)CC[C@@H]3C1)c(N)nc2=O ZINC001172150949 1068635805 /nfs/dbraw/zinc/63/58/05/1068635805.db2.gz QOSBGSCFXDTZIP-AIANPOQGSA-N 1 0 491.549 -0.637 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCN3C(=O)CC[C@H]3C1)c(N)nc2=O ZINC001172150951 1068635893 /nfs/dbraw/zinc/63/58/93/1068635893.db2.gz QOSBGSCFXDTZIP-IVSAIRAKSA-N 1 0 491.549 -0.637 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCN3C(=O)CC[C@H]3C1)c(N)nc2=O ZINC001172150952 1068635878 /nfs/dbraw/zinc/63/58/78/1068635878.db2.gz QOSBGSCFXDTZIP-JKQORVJESA-N 1 0 491.549 -0.637 20 0 JBADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC001172166360 1068635751 /nfs/dbraw/zinc/63/57/51/1068635751.db2.gz NGOWZGCYOSAVBF-HNJRGHQBSA-N 1 0 454.531 -0.003 20 0 JBADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCN3C(=O)CC[C@@H]3C2)cn1 ZINC001172166361 1068635875 /nfs/dbraw/zinc/63/58/75/1068635875.db2.gz NGOWZGCYOSAVBF-JYBIWHBTSA-N 1 0 454.531 -0.003 20 0 JBADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC001172166362 1068636386 /nfs/dbraw/zinc/63/63/86/1068636386.db2.gz NGOWZGCYOSAVBF-UMGGQSCQSA-N 1 0 454.531 -0.003 20 0 JBADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCN3C(=O)CC[C@H]3C2)cn1 ZINC001172166363 1068636164 /nfs/dbraw/zinc/63/61/64/1068636164.db2.gz NGOWZGCYOSAVBF-ZULIPRJHSA-N 1 0 454.531 -0.003 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172167006 1068636512 /nfs/dbraw/zinc/63/65/12/1068636512.db2.gz VPUXWNOJJNUIMA-BIPXHUIRSA-N 1 0 484.502 -0.188 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172167007 1068636288 /nfs/dbraw/zinc/63/62/88/1068636288.db2.gz VPUXWNOJJNUIMA-DNAOUPSLSA-N 1 0 484.502 -0.188 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172167008 1068636370 /nfs/dbraw/zinc/63/63/70/1068636370.db2.gz VPUXWNOJJNUIMA-IPHURZSYSA-N 1 0 484.502 -0.188 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001172167009 1068636259 /nfs/dbraw/zinc/63/62/59/1068636259.db2.gz VPUXWNOJJNUIMA-PNCFOQPXSA-N 1 0 484.502 -0.188 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)C(N)=O ZINC001172169561 1068636414 /nfs/dbraw/zinc/63/64/14/1068636414.db2.gz GNPSTTCIINVVJB-NCOADZHNSA-N 1 0 455.625 -0.017 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)C(N)=O ZINC001172169564 1068636190 /nfs/dbraw/zinc/63/61/90/1068636190.db2.gz GNPSTTCIINVVJB-QAETUUGQSA-N 1 0 455.625 -0.017 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)C(N)=O ZINC001172169565 1068636402 /nfs/dbraw/zinc/63/64/02/1068636402.db2.gz GNPSTTCIINVVJB-QZWWFDLISA-N 1 0 455.625 -0.017 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)C(N)=O ZINC001172169567 1068636281 /nfs/dbraw/zinc/63/62/81/1068636281.db2.gz GNPSTTCIINVVJB-YVSFHVDLSA-N 1 0 455.625 -0.017 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)O3)c(N)nc2=O ZINC001172219662 1068636326 /nfs/dbraw/zinc/63/63/26/1068636326.db2.gz JNWUBPKSWOSEIO-AQBKWJQSSA-N 1 0 464.523 -0.081 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@H]3CC[C@@H](C1)O3)c(N)nc2=O ZINC001172219663 1068636442 /nfs/dbraw/zinc/63/64/42/1068636442.db2.gz JNWUBPKSWOSEIO-GWONACJQSA-N 1 0 464.523 -0.081 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H]3C=C[C@H](C1)O3)c(N)nc2=O ZINC001172228766 1068636428 /nfs/dbraw/zinc/63/64/28/1068636428.db2.gz BCQAWXLIZOSLML-AQBKWJQSSA-N 1 0 462.507 -0.305 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1C[C@@H]3C=C[C@H](C1)O3)c(N)nc2=O ZINC001172228777 1068636220 /nfs/dbraw/zinc/63/62/20/1068636220.db2.gz BCQAWXLIZOSLML-GWONACJQSA-N 1 0 462.507 -0.305 20 0 JBADRO COCCC[NH+]1CCC(N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001172251035 1068637078 /nfs/dbraw/zinc/63/70/78/1068637078.db2.gz XQLDVALQYPLDNW-JXFKEZNVSA-N 1 0 463.579 -0.500 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172262837 1068636993 /nfs/dbraw/zinc/63/69/93/1068636993.db2.gz MQKRLQAYVFSYMV-FGTMMUONSA-N 1 0 477.514 -0.317 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1C[C@@H](C(=O)OCc2ccccc2)[C@@H](C(=O)OC)C1 ZINC001172262838 1068637171 /nfs/dbraw/zinc/63/71/71/1068637171.db2.gz MQKRLQAYVFSYMV-OKZBNKHCSA-N 1 0 477.514 -0.317 20 0 JBADRO COC(=O)[C@H]1C[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172265118 1068636350 /nfs/dbraw/zinc/63/63/50/1068636350.db2.gz LGLPYQPUDCBJEU-BJMMQXOYSA-N 1 0 467.515 -0.269 20 0 JBADRO COC(=O)[C@H]1C[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172265119 1068637190 /nfs/dbraw/zinc/63/71/90/1068637190.db2.gz LGLPYQPUDCBJEU-USHWPJSSSA-N 1 0 467.515 -0.269 20 0 JBADRO COC(=O)[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172268856 1068636959 /nfs/dbraw/zinc/63/69/59/1068636959.db2.gz VZWWIZAHOIKGEV-HCXYKTFWSA-N 1 0 488.541 -0.520 20 0 JBADRO COC(=O)[C@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172268858 1068637093 /nfs/dbraw/zinc/63/70/93/1068637093.db2.gz VZWWIZAHOIKGEV-OKYOBFRVSA-N 1 0 488.541 -0.520 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1COC(C)(C)C1)c(N)nc2=O ZINC001172270651 1068637085 /nfs/dbraw/zinc/63/70/85/1068637085.db2.gz FHVHQGRJBLFGGT-HZSPNIEDSA-N 1 0 452.512 -0.223 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1COC(C)(C)C1)c(N)nc2=O ZINC001172270659 1068637106 /nfs/dbraw/zinc/63/71/06/1068637106.db2.gz FHVHQGRJBLFGGT-IHRRRGAJSA-N 1 0 452.512 -0.223 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1COC(C)(C)C1)c(N)nc2=O ZINC001172270660 1068637025 /nfs/dbraw/zinc/63/70/25/1068637025.db2.gz FHVHQGRJBLFGGT-MELADBBJSA-N 1 0 452.512 -0.223 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1COC(C)(C)C1)c(N)nc2=O ZINC001172270661 1068637117 /nfs/dbraw/zinc/63/71/17/1068637117.db2.gz FHVHQGRJBLFGGT-RDBSUJKOSA-N 1 0 452.512 -0.223 20 0 JBADRO COC(=O)[C@@H]1CCC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001172596412 1068637650 /nfs/dbraw/zinc/63/76/50/1068637650.db2.gz YTAILJOPKUOSRP-FXUDXRNXSA-N 1 0 494.549 -0.059 20 0 JBADRO COC(=O)[C@@H]1CCC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001172596416 1068637808 /nfs/dbraw/zinc/63/78/08/1068637808.db2.gz YTAILJOPKUOSRP-LVQVYYBASA-N 1 0 494.549 -0.059 20 0 JBADRO COC(=O)[C@@H]1CCC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001172596418 1068637731 /nfs/dbraw/zinc/63/77/31/1068637731.db2.gz YTAILJOPKUOSRP-UGUYLWEFSA-N 1 0 494.549 -0.059 20 0 JBADRO COC(=O)[C@@H]1CCC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001172596419 1068637902 /nfs/dbraw/zinc/63/79/02/1068637902.db2.gz YTAILJOPKUOSRP-WCVJEAGWSA-N 1 0 494.549 -0.059 20 0 JBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670078 1068638484 /nfs/dbraw/zinc/63/84/84/1068638484.db2.gz FVCXXNMBZNWGPA-FVDLHMHASA-N 1 0 453.503 -0.192 20 0 JBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670079 1068638763 /nfs/dbraw/zinc/63/87/63/1068638763.db2.gz FVCXXNMBZNWGPA-NGADARLASA-N 1 0 453.503 -0.192 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670570 1068638504 /nfs/dbraw/zinc/63/85/04/1068638504.db2.gz INQYXGHLBBZAIL-CCFCVOCCSA-N 1 0 469.502 -0.883 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172670589 1068638559 /nfs/dbraw/zinc/63/85/59/1068638559.db2.gz INQYXGHLBBZAIL-LRZOEXBQSA-N 1 0 469.502 -0.883 20 0 JBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)[C@H]1O ZINC001172680498 1068638888 /nfs/dbraw/zinc/63/88/88/1068638888.db2.gz SQHCZPCMFARVEC-FVDLHMHASA-N 1 0 453.503 -0.192 20 0 JBADRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)[C@H]1O ZINC001172680499 1068638597 /nfs/dbraw/zinc/63/85/97/1068638597.db2.gz SQHCZPCMFARVEC-NGADARLASA-N 1 0 453.503 -0.192 20 0 JBADRO COC(=O)N1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001172732182 1068638833 /nfs/dbraw/zinc/63/88/33/1068638833.db2.gz KDYDDVWHOQRIPR-GJZGRUSLSA-N 1 0 495.537 -0.560 20 0 JBADRO COC(=O)N1CCC(n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001172732188 1068638787 /nfs/dbraw/zinc/63/87/87/1068638787.db2.gz KDYDDVWHOQRIPR-LSDHHAIUSA-N 1 0 495.537 -0.560 20 0 JBADRO COC(=O)N1CCC([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CC1 ZINC001172733357 1068638704 /nfs/dbraw/zinc/63/87/04/1068638704.db2.gz LQTZOTWXEAETIU-LASHMREHSA-N 1 0 488.490 -0.110 20 0 JBADRO CC(C)(C)OC(=O)CN1CCC(n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC1 ZINC001172887582 1068639602 /nfs/dbraw/zinc/63/96/02/1068639602.db2.gz BVVLOPXPUGVKOY-RRFJBIMHSA-N 1 0 463.539 -0.239 20 0 JBADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001172893164 1068639565 /nfs/dbraw/zinc/63/95/65/1068639565.db2.gz XLQQFQLSRWNSOV-OALUTQOASA-N 1 0 464.563 -0.339 20 0 JBADRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172955193 1068640607 /nfs/dbraw/zinc/64/06/07/1068640607.db2.gz SUSGMJIRCYCKHY-GCXGIZPZSA-N 1 0 467.527 -0.429 20 0 JBADRO C[C@H](CCN(C)C(=O)OC(C)(C)C)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001172955199 1068640598 /nfs/dbraw/zinc/64/05/98/1068640598.db2.gz SUSGMJIRCYCKHY-JZLXNPJKSA-N 1 0 467.527 -0.429 20 0 JBADRO COc1ccc(CN2CC[C@@H]([NH2+]CCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2=O)c(OC)c1 ZINC001173024111 1068640436 /nfs/dbraw/zinc/64/04/36/1068640436.db2.gz KHHWJOALADHJKU-KWDMSKSXSA-N 1 0 454.520 -0.372 20 0 JBADRO COc1ccc(CN2CC[C@H]([NH2+]CCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2=O)c(OC)c1 ZINC001173024112 1068640552 /nfs/dbraw/zinc/64/05/52/1068640552.db2.gz KHHWJOALADHJKU-LXAPMVHLSA-N 1 0 454.520 -0.372 20 0 JBADRO COc1ccc(CN2CC[C@@H]([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CC2=O)c(OC)c1 ZINC001173024855 1068640648 /nfs/dbraw/zinc/64/06/48/1068640648.db2.gz XKMTYFZMINFREB-AEFFLSMTSA-N 1 0 475.546 -0.623 20 0 JBADRO COc1ccc(CN2CC[C@H]([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CC2=O)c(OC)c1 ZINC001173024856 1068640615 /nfs/dbraw/zinc/64/06/15/1068640615.db2.gz XKMTYFZMINFREB-WMZOPIPTSA-N 1 0 475.546 -0.623 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173036918 1068640527 /nfs/dbraw/zinc/64/05/27/1068640527.db2.gz QXLKWENZVIQDJY-INIZCTEOSA-N 1 0 464.519 -0.420 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173036927 1068640569 /nfs/dbraw/zinc/64/05/69/1068640569.db2.gz QXLKWENZVIQDJY-MRXNPFEDSA-N 1 0 464.519 -0.420 20 0 JBADRO C[C@H]1CC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CN1C(=O)OC(C)(C)C ZINC001173057156 1068640634 /nfs/dbraw/zinc/64/06/34/1068640634.db2.gz MHLXUBGACMRYCP-CHDCVOSJSA-N 1 0 479.538 -0.286 20 0 JBADRO C[C@@H]1CC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CN1C(=O)OC(C)(C)C ZINC001173057166 1068640492 /nfs/dbraw/zinc/64/04/92/1068640492.db2.gz MHLXUBGACMRYCP-NVZKKKRGSA-N 1 0 479.538 -0.286 20 0 JBADRO C[C@H]1CC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CN1C(=O)OC(C)(C)C ZINC001173057169 1068640642 /nfs/dbraw/zinc/64/06/42/1068640642.db2.gz MHLXUBGACMRYCP-RGFYEGLYSA-N 1 0 479.538 -0.286 20 0 JBADRO C[C@@H]1CC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CN1C(=O)OC(C)(C)C ZINC001173057171 1068641631 /nfs/dbraw/zinc/64/16/31/1068641631.db2.gz MHLXUBGACMRYCP-RJQJLZBDSA-N 1 0 479.538 -0.286 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCO[C@@H](C)C1)c(N)nc2=O ZINC001173169543 1068641441 /nfs/dbraw/zinc/64/14/41/1068641441.db2.gz TYGBCOVAAOXEER-AJNGGQMLSA-N 1 0 452.512 -0.223 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCO[C@@H](C)C1)c(N)nc2=O ZINC001173169544 1068641167 /nfs/dbraw/zinc/64/11/67/1068641167.db2.gz TYGBCOVAAOXEER-LJISPDSOSA-N 1 0 452.512 -0.223 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCO[C@@H](C)C1)c(N)nc2=O ZINC001173169545 1068641578 /nfs/dbraw/zinc/64/15/78/1068641578.db2.gz TYGBCOVAAOXEER-XGUBFFRZSA-N 1 0 452.512 -0.223 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCO[C@@H](C)C1)c(N)nc2=O ZINC001173169546 1068641682 /nfs/dbraw/zinc/64/16/82/1068641682.db2.gz TYGBCOVAAOXEER-ZQDZILKHSA-N 1 0 452.512 -0.223 20 0 JBADRO CCN1CC[C@@H]([NH2+]CCCC[C@H](NC(C)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(N)=O)C(C)C)C1 ZINC001173356398 1068642253 /nfs/dbraw/zinc/64/22/53/1068642253.db2.gz HWTZYYXZNMJJPH-IVAOSVALSA-N 1 0 480.654 -0.038 20 0 JBADRO CCN1CC[C@H]([NH2+]CCCC[C@H](NC(C)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(N)=O)C(C)C)C1 ZINC001173356403 1068642132 /nfs/dbraw/zinc/64/21/32/1068642132.db2.gz HWTZYYXZNMJJPH-XSDIEEQYSA-N 1 0 480.654 -0.038 20 0 JBADRO CCN1CC[C@@H]([NH2+]CCCC[C@H](NC(C)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001173356977 1068642365 /nfs/dbraw/zinc/64/23/65/1068642365.db2.gz HWTZYYXZNMJJPH-ANULTFPQSA-N 1 0 480.654 -0.038 20 0 JBADRO CCN1CC[C@H]([NH2+]CCCC[C@H](NC(C)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001173356980 1068642375 /nfs/dbraw/zinc/64/23/75/1068642375.db2.gz HWTZYYXZNMJJPH-TUFLPTIASA-N 1 0 480.654 -0.038 20 0 JBADRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@@H]1C(=O)OC(C)(C)C ZINC001173372196 1068642306 /nfs/dbraw/zinc/64/23/06/1068642306.db2.gz DSRSPMCDLOIRQU-KFWWJZLASA-N 1 0 470.567 -0.238 20 0 JBADRO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@H]1C(=O)OC(C)(C)C ZINC001173372205 1068642397 /nfs/dbraw/zinc/64/23/97/1068642397.db2.gz DSRSPMCDLOIRQU-RBSFLKMASA-N 1 0 470.567 -0.238 20 0 JBADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@H]1C(=O)OC(C)(C)C ZINC001173372207 1068642045 /nfs/dbraw/zinc/64/20/45/1068642045.db2.gz DSRSPMCDLOIRQU-RRFJBIMHSA-N 1 0 470.567 -0.238 20 0 JBADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@@H]1C(=O)OC(C)(C)C ZINC001173372208 1068642379 /nfs/dbraw/zinc/64/23/79/1068642379.db2.gz DSRSPMCDLOIRQU-ZNMIVQPWSA-N 1 0 470.567 -0.238 20 0 JBADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@H]1C(=O)OC(C)(C)C ZINC001173374141 1068642227 /nfs/dbraw/zinc/64/22/27/1068642227.db2.gz ODPWFEUUCDVTDX-IFWAPTSISA-N 1 0 461.552 -0.156 20 0 JBADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@@H]1C(=O)OC(C)(C)C ZINC001173374142 1068642073 /nfs/dbraw/zinc/64/20/73/1068642073.db2.gz ODPWFEUUCDVTDX-JIUYATDDSA-N 1 0 461.552 -0.156 20 0 JBADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@H]1C(=O)OC(C)(C)C ZINC001173374143 1068642329 /nfs/dbraw/zinc/64/23/29/1068642329.db2.gz ODPWFEUUCDVTDX-SQJROPFLSA-N 1 0 461.552 -0.156 20 0 JBADRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@@H]1C(=O)OC(C)(C)C ZINC001173374144 1068642293 /nfs/dbraw/zinc/64/22/93/1068642293.db2.gz ODPWFEUUCDVTDX-VULQRYQKSA-N 1 0 461.552 -0.156 20 0 JBADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173394063 1068643217 /nfs/dbraw/zinc/64/32/17/1068643217.db2.gz RVLHNJWJZMWBQV-UHFFFAOYSA-N 1 0 454.325 -0.639 20 0 JBADRO COc1ccc(C(=O)N2CCC([NH2+][C@H]3[C@H](n4ccc(=O)[nH]c4=O)O[C@H](CO)[C@H]3O)CC2)cc1 ZINC001173402171 1068643105 /nfs/dbraw/zinc/64/31/05/1068643105.db2.gz POOJPSYYPACUOG-XLBJILASSA-N 1 0 460.487 -0.529 20 0 JBADRO O=C(CN1CCC([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1)OCc1ccccc1 ZINC001173464116 1068643205 /nfs/dbraw/zinc/64/32/05/1068643205.db2.gz UFQNDZMGDBIJPX-BRKWEVRTSA-N 1 0 474.514 -0.635 20 0 JBADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173467238 1068643080 /nfs/dbraw/zinc/64/30/80/1068643080.db2.gz ZQBIHYKRQFJJQK-IBGZPJMESA-N 1 0 459.547 -0.624 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173497194 1068643006 /nfs/dbraw/zinc/64/30/06/1068643006.db2.gz RPAYTZQCEBUZHQ-DLBZAZTESA-N 1 0 462.503 -0.782 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173497201 1068643158 /nfs/dbraw/zinc/64/31/58/1068643158.db2.gz RPAYTZQCEBUZHQ-IAGOWNOFSA-N 1 0 462.503 -0.782 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173497204 1068643019 /nfs/dbraw/zinc/64/30/19/1068643019.db2.gz RPAYTZQCEBUZHQ-IRXDYDNUSA-N 1 0 462.503 -0.782 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173497207 1068642873 /nfs/dbraw/zinc/64/28/73/1068642873.db2.gz RPAYTZQCEBUZHQ-SJORKVTESA-N 1 0 462.503 -0.782 20 0 JBADRO COC(=O)[C@@H]1C[C@H]([NH2+]CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)CCN1C(=O)c1ccccc1 ZINC001173498946 1068643242 /nfs/dbraw/zinc/64/32/42/1068643242.db2.gz XFCZQHMCSUECJL-MSOLQXFVSA-N 1 0 471.514 -0.190 20 0 JBADRO COC(=O)[C@H]1C[C@H]([NH2+]CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)CCN1C(=O)c1ccccc1 ZINC001173498953 1068643053 /nfs/dbraw/zinc/64/30/53/1068643053.db2.gz XFCZQHMCSUECJL-QZTJIDSGSA-N 1 0 471.514 -0.190 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CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]2C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001186456690 1068821527 /nfs/dbraw/zinc/82/15/27/1068821527.db2.gz CXUXFPMSDMYJRS-ZRNYENFQSA-N 1 0 471.606 -0.125 20 0 JBADRO CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001186584814 1068822647 /nfs/dbraw/zinc/82/26/47/1068822647.db2.gz PYDFOUDPZBODDJ-SFTDATJTSA-N 1 0 490.582 -0.086 20 0 JBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N([C@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001186593696 1068831801 /nfs/dbraw/zinc/83/18/01/1068831801.db2.gz CAKAAHFWSSDKJZ-ROUUACIJSA-N 1 0 466.560 -0.651 20 0 JBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1 ZINC001186593707 1068831650 /nfs/dbraw/zinc/83/16/50/1068831650.db2.gz CAKAAHFWSSDKJZ-ZWKOTPCHSA-N 1 0 466.560 -0.651 20 0 JBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(Cc1nn(C(C)C)c2c1CC[NH2+]C2)c1nccs1 ZINC001186593909 1068831900 /nfs/dbraw/zinc/83/19/00/1068831900.db2.gz DWNMGYSISIWPCS-INIZCTEOSA-N 1 0 463.564 -0.287 20 0 JBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001186594016 1068831718 /nfs/dbraw/zinc/83/17/18/1068831718.db2.gz GIDMLYYSJVCCKQ-FQEVSTJZSA-N 1 0 494.556 -0.262 20 0 JBADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)CC2 ZINC001186594694 1068832470 /nfs/dbraw/zinc/83/24/70/1068832470.db2.gz LYBBKIJXGGJPCD-PMACEKPBSA-N 1 0 461.563 -0.476 20 0 JBADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(=O)CNC(=O)[C@H](CO)NC(C)=O)CC2 ZINC001186594695 1068832196 /nfs/dbraw/zinc/83/21/96/1068832196.db2.gz LYBBKIJXGGJPCD-UXHICEINSA-N 1 0 461.563 -0.476 20 0 JBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001186595381 1068833080 /nfs/dbraw/zinc/83/30/80/1068833080.db2.gz RDJWHULPZRIQTJ-FXAWDEMLSA-N 1 0 453.490 -0.246 20 0 JBADRO CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001186595382 1068832897 /nfs/dbraw/zinc/83/28/97/1068832897.db2.gz RDJWHULPZRIQTJ-PXNSSMCTSA-N 1 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1068824716 /nfs/dbraw/zinc/82/47/16/1068824716.db2.gz JMRMYBOBKRRKSI-PMACEKPBSA-N 1 0 480.635 -0.048 20 0 JBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1)C(C)C ZINC001186612114 1068824857 /nfs/dbraw/zinc/82/48/57/1068824857.db2.gz RRAJQGFBDJPNFG-FPOVZHCZSA-N 1 0 493.678 -0.019 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001186625246 1068826269 /nfs/dbraw/zinc/82/62/69/1068826269.db2.gz JOBFCCHBHPXMQF-BZSNNMDCSA-N 1 0 467.611 -0.129 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(c1ncnc2c1CC[NH2+]CC2)C(C)C ZINC001186626246 1068826730 /nfs/dbraw/zinc/82/67/30/1068826730.db2.gz AHHCGLSTAUFESV-KKUMJFAQSA-N 1 0 461.567 -0.560 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001186627264 1068828005 /nfs/dbraw/zinc/82/80/05/1068828005.db2.gz KUDYDBPSZYTWQE-ULQDDVLXSA-N 1 0 498.588 -0.509 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCc2c(n[nH]c2C[N@@H+](C)C(C)C)C1 ZINC001186627652 1068828712 /nfs/dbraw/zinc/82/87/12/1068828712.db2.gz NGYARTPGVGTNIK-KKUMJFAQSA-N 1 0 463.583 -0.331 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001186627733 1068828404 /nfs/dbraw/zinc/82/84/04/1068828404.db2.gz OUBOUVVTHONLFL-IHRRRGAJSA-N 1 0 486.533 -0.823 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001186627765 1068828349 /nfs/dbraw/zinc/82/83/49/1068828349.db2.gz OXKVOOQJFQRCNM-BVVMCGEXSA-N 1 0 492.552 -0.391 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001186627777 1068828620 /nfs/dbraw/zinc/82/86/20/1068828620.db2.gz OXKVOOQJFQRCNM-HQNCTHSLSA-N 1 0 492.552 -0.391 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001186627780 1068828676 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CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001186627978 1068828486 /nfs/dbraw/zinc/82/84/86/1068828486.db2.gz QPKNBKSSPFWAAE-XPKAMFKHSA-N 1 0 488.589 -0.583 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001186627982 1068828586 /nfs/dbraw/zinc/82/85/86/1068828586.db2.gz QPKNBKSSPFWAAE-YRJWVXGYSA-N 1 0 488.589 -0.583 20 0 JBADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C2 ZINC001186628403 1068829479 /nfs/dbraw/zinc/82/94/79/1068829479.db2.gz VPLQUTHQDGBQSI-YRFBLPPGSA-N 1 0 479.622 -0.273 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001186628571 1068829922 /nfs/dbraw/zinc/82/99/22/1068829922.db2.gz YOKMKJAWLZLNRZ-ULQDDVLXSA-N 1 0 475.594 -0.602 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001186628577 1068829769 /nfs/dbraw/zinc/82/97/69/1068829769.db2.gz YSQDGYDRXZPNKR-IEYYFSCXSA-N 1 0 458.563 -0.209 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001186630296 1068830441 /nfs/dbraw/zinc/83/04/41/1068830441.db2.gz GIIMGOGLBPUOJF-ULQDDVLXSA-N 1 0 493.609 -0.772 20 0 JBADRO COc1cc(C)nc(N(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C2CC[NH2+]CC2)n1 ZINC001186630355 1068830609 /nfs/dbraw/zinc/83/06/09/1068830609.db2.gz GYUBRZCGWVDUQP-KKUMJFAQSA-N 1 0 477.566 -0.587 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001186631553 1068835589 /nfs/dbraw/zinc/83/55/89/1068835589.db2.gz RUVJQUHKPNOHPZ-JYJNAYRXSA-N 1 0 499.576 -0.766 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001186631555 1068835417 /nfs/dbraw/zinc/83/54/17/1068835417.db2.gz RWMLVFKNSCFFBN-ULQDDVLXSA-N 1 0 480.610 -0.934 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001186631607 1068824794 /nfs/dbraw/zinc/82/47/94/1068824794.db2.gz UITYFFOIIGLTJM-KKUMJFAQSA-N 1 0 472.546 -0.623 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001186631617 1068825370 /nfs/dbraw/zinc/82/53/70/1068825370.db2.gz UTILJSXVMNEPGU-KJBUSTBGSA-N 1 0 488.589 -0.284 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001186634343 1068842679 /nfs/dbraw/zinc/84/26/79/1068842679.db2.gz ARAOLLBYYJJSNH-IHRRRGAJSA-N 1 0 450.515 -0.160 20 0 JBADRO COc1cc(N(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C2CC[NH2+]CC2)ccn1 ZINC001186634389 1068842265 /nfs/dbraw/zinc/84/22/65/1068842265.db2.gz BIDPPBMGXVISCX-KKUMJFAQSA-N 1 0 462.551 -0.291 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001186634607 1068842957 /nfs/dbraw/zinc/84/29/57/1068842957.db2.gz BGWBTTUBHNGZBR-KKUMJFAQSA-N 1 0 483.591 -0.525 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001186635728 1068843837 /nfs/dbraw/zinc/84/38/37/1068843837.db2.gz LQYJNAMWPCGXGO-KKUMJFAQSA-N 1 0 472.587 -0.907 20 0 JBADRO COc1ccnc(N(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C2CC[NH2+]CC2)c1 ZINC001186635752 1068843889 /nfs/dbraw/zinc/84/38/89/1068843889.db2.gz LRXLICSJNLZTRF-KKUMJFAQSA-N 1 0 462.551 -0.291 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001186636501 1068843658 /nfs/dbraw/zinc/84/36/58/1068843658.db2.gz QLKFRPMNEVAQJC-ULQDDVLXSA-N 1 0 476.578 -0.727 20 0 JBADRO CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)c1 ZINC001186636749 1068844120 /nfs/dbraw/zinc/84/41/20/1068844120.db2.gz TZTSHIQHZYBABL-IHRRRGAJSA-N 1 0 476.534 -0.068 20 0 JBADRO 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1068861969 /nfs/dbraw/zinc/86/19/69/1068861969.db2.gz VETLHWGWRBDPRS-KRWDZBQOSA-N 1 0 459.551 -0.862 20 0 JBADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)CNC(=O)[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(C)cc1 ZINC001187525616 1068863339 /nfs/dbraw/zinc/86/33/39/1068863339.db2.gz DVQRBQVJWQPRJQ-IRXDYDNUSA-N 1 0 482.559 -0.422 20 0 JBADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)CNC(=O)[C@@H]3CCC(=O)N3)ccc12 ZINC001187525636 1068863116 /nfs/dbraw/zinc/86/31/16/1068863116.db2.gz FXOKNLDFPWEYRP-IRXDYDNUSA-N 1 0 480.481 -0.115 20 0 JBADRO Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187526288 1068863287 /nfs/dbraw/zinc/86/32/87/1068863287.db2.gz OKQBVFZYGWTTMK-AWEZNQCLSA-N 1 0 455.537 -0.135 20 0 JBADRO Nc1cn(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)ccc1=[NH+]CCN1CCOCC1 ZINC001187528424 1068863962 /nfs/dbraw/zinc/86/39/62/1068863962.db2.gz XDESQDZONJHZLU-VXKWHMMOSA-N 1 0 480.569 -0.051 20 0 JBADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)CC2 ZINC001187531819 1068863766 /nfs/dbraw/zinc/86/37/66/1068863766.db2.gz ADICEBSMCNXYHB-OALUTQOASA-N 1 0 496.568 -0.143 20 0 JBADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)CC3)CC1 ZINC001187531953 1068863986 /nfs/dbraw/zinc/86/39/86/1068863986.db2.gz CMNDVJXXWTZJER-VXKWHMMOSA-N 1 0 493.612 -0.021 20 0 JBADRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187532683 1068864476 /nfs/dbraw/zinc/86/44/76/1068864476.db2.gz PHMWMHCKSYDYHZ-IRXDYDNUSA-N 1 0 489.554 -0.385 20 0 JBADRO O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187541488 1068865009 /nfs/dbraw/zinc/86/50/09/1068865009.db2.gz OFXXYXQCNZQOHU-SFTDATJTSA-N 1 0 499.593 -0.061 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(C(=O)C2CC2)CC1)C(N)=O ZINC001187660282 1068865512 /nfs/dbraw/zinc/86/55/12/1068865512.db2.gz RULRRDUPSVUFNL-BZSNNMDCSA-N 1 0 477.606 -0.023 20 0 JBADRO Cc1c[nH]cc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001187806007 1068866260 /nfs/dbraw/zinc/86/62/60/1068866260.db2.gz HQRFZVDLWLTBQG-GXTWGEPZSA-N 1 0 461.479 -0.638 20 0 JBADRO Cc1c[nH]cc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001187806008 1068866012 /nfs/dbraw/zinc/86/60/12/1068866012.db2.gz HQRFZVDLWLTBQG-JSGCOSHPSA-N 1 0 461.479 -0.638 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cccnc1-c1ccccc1 ZINC001187825007 1068866795 /nfs/dbraw/zinc/86/67/95/1068866795.db2.gz YBLHXYPSFXHWQX-DDBGFLLRSA-N 1 0 463.454 -0.496 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1[nH]ncc1Cl)C(N)=O ZINC001187851191 1068866345 /nfs/dbraw/zinc/86/63/45/1068866345.db2.gz GGNVHILMINERLK-KKUMJFAQSA-N 1 0 469.974 -0.092 20 0 JBADRO COCCn1nccc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001187873862 1068867491 /nfs/dbraw/zinc/86/74/91/1068867491.db2.gz FIHKHRIZEQZZGS-LNLFQRSKSA-N 1 0 493.609 -0.626 20 0 JBADRO Cc1nnsc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001187892859 1068867639 /nfs/dbraw/zinc/86/76/39/1068867639.db2.gz OCBQGGJXPQLTJZ-KKUMJFAQSA-N 1 0 467.596 -0.309 20 0 JBADRO COCCn1ccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC001187915855 1068867180 /nfs/dbraw/zinc/86/71/80/1068867180.db2.gz OYMVYVCRXQJJNH-FHWLQOOXSA-N 1 0 493.609 -0.626 20 0 JBADRO COc1c(Cl)cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1Cl ZINC001187922115 1068867279 /nfs/dbraw/zinc/86/72/79/1068867279.db2.gz KZTYJYKBFZPLLP-LSGKAKCFSA-N 1 0 485.284 -0.243 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccnc(N(C)C)n1)C(N)=O ZINC001188012226 1068868987 /nfs/dbraw/zinc/86/89/87/1068868987.db2.gz BOWDWYFEUVIFSI-BZSNNMDCSA-N 1 0 490.609 -0.613 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccccc1-c1cccnc1 ZINC001188042224 1068868262 /nfs/dbraw/zinc/86/82/62/1068868262.db2.gz KKTXOWTUPHNXTO-BONWFUQQSA-N 1 0 463.454 -0.496 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ncn(C(C)C)n1)C(N)=O ZINC001188050575 1068868102 /nfs/dbraw/zinc/86/81/02/1068868102.db2.gz GXSSOUXOVYUXCO-ULQDDVLXSA-N 1 0 478.598 -0.297 20 0 JBADRO Cc1cc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cn1C ZINC001188077591 1068868882 /nfs/dbraw/zinc/86/88/82/1068868882.db2.gz HKCKGXIWYQFLGY-GJZGRUSLSA-N 1 0 475.506 -0.628 20 0 JBADRO Cc1cc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)cn1C ZINC001188077592 1068868997 /nfs/dbraw/zinc/86/89/97/1068868997.db2.gz HKCKGXIWYQFLGY-LSDHHAIUSA-N 1 0 475.506 -0.628 20 0 JBADRO CNS(=O)(=O)c1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cc1 ZINC001188114779 1068869400 /nfs/dbraw/zinc/86/94/00/1068869400.db2.gz MCIHKRBIKSYXBG-ZWKOTPCHSA-N 1 0 491.595 -0.226 20 0 JBADRO CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cc1 ZINC001188116172 1068869347 /nfs/dbraw/zinc/86/93/47/1068869347.db2.gz XYGZFAYSEPHWJD-UHFFFAOYSA-N 1 0 451.593 -0.095 20 0 JBADRO CNS(=O)(=O)c1ccc(C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)cc1 ZINC001188125344 1068869564 /nfs/dbraw/zinc/86/95/64/1068869564.db2.gz KAOBQZQMPWHCNW-UHFFFAOYSA-N 1 0 482.544 -0.013 20 0 JBADRO Cc1cc(C)nc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)c1 ZINC001188146842 1068869265 /nfs/dbraw/zinc/86/92/65/1068869265.db2.gz HBMQAZVZBZHGFC-GOEBONIOSA-N 1 0 487.517 -0.263 20 0 JBADRO Cc1cc(C)nc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1 ZINC001188146847 1068869535 /nfs/dbraw/zinc/86/95/35/1068869535.db2.gz HBMQAZVZBZHGFC-HOCLYGCPSA-N 1 0 487.517 -0.263 20 0 JBADRO COc1c(Cl)cc(Cl)cc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001188153620 1068869429 /nfs/dbraw/zinc/86/94/29/1068869429.db2.gz OAWVJHGLFFMSMH-LSGKAKCFSA-N 1 0 485.284 -0.243 20 0 JBADRO Cc1[nH]ccc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001188161418 1068870004 /nfs/dbraw/zinc/87/00/04/1068870004.db2.gz ANYUAJLWCUEIEM-GXTWGEPZSA-N 1 0 461.479 -0.638 20 0 JBADRO Cc1[nH]ccc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001188161430 1068870202 /nfs/dbraw/zinc/87/02/02/1068870202.db2.gz ANYUAJLWCUEIEM-JSGCOSHPSA-N 1 0 461.479 -0.638 20 0 JBADRO Cc1nccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC001188187733 1068869627 /nfs/dbraw/zinc/86/96/27/1068869627.db2.gz LOAKXNJPHKCHMB-BZSNNMDCSA-N 1 0 461.567 -0.370 20 0 JBADRO Cc1cc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c[nH]1 ZINC001188200969 1068870306 /nfs/dbraw/zinc/87/03/06/1068870306.db2.gz JXNOSCYYAXAFIR-KBPBESRZSA-N 1 0 461.479 -0.638 20 0 JBADRO Cc1cc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)c[nH]1 ZINC001188200970 1068870371 /nfs/dbraw/zinc/87/03/71/1068870371.db2.gz JXNOSCYYAXAFIR-UONOGXRCSA-N 1 0 461.479 -0.638 20 0 JBADRO Cc1ccncc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001188241539 1068870089 /nfs/dbraw/zinc/87/00/89/1068870089.db2.gz OVCSEHDMMDGKBE-DZGCQCFKSA-N 1 0 473.490 -0.571 20 0 JBADRO Cc1ccncc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001188241540 1068870150 /nfs/dbraw/zinc/87/01/50/1068870150.db2.gz OVCSEHDMMDGKBE-ZFWWWQNUSA-N 1 0 473.490 -0.571 20 0 JBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC001188281931 1068870835 /nfs/dbraw/zinc/87/08/35/1068870835.db2.gz SWCIPWUZPHDXEJ-SFHVURJKSA-N 1 0 454.574 -0.099 20 0 JBADRO COc1cscc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001188311926 1068870853 /nfs/dbraw/zinc/87/08/53/1068870853.db2.gz GMBHBJBOGLACFY-FZMZJTMJSA-N 1 0 494.530 -0.205 20 0 JBADRO COc1cscc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001188311929 1068871200 /nfs/dbraw/zinc/87/12/00/1068871200.db2.gz GMBHBJBOGLACFY-SMDDNHRTSA-N 1 0 494.530 -0.205 20 0 JBADRO COCc1oncc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001188333497 1068870884 /nfs/dbraw/zinc/87/08/84/1068870884.db2.gz HKNSFWHMOOUYMA-BQFCYCMXSA-N 1 0 480.566 -0.335 20 0 JBADRO C[NH+]1CCN(Cc2ccccc2C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001188370740 1068870924 /nfs/dbraw/zinc/87/09/24/1068870924.db2.gz MBKZIHFMYDHQDJ-SFTDATJTSA-N 1 0 467.574 -0.026 20 0 JBADRO Cc1ncc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)s1 ZINC001188424375 1068871802 /nfs/dbraw/zinc/87/18/02/1068871802.db2.gz VALHUHNZPGWPQD-AAEUAGOBSA-N 1 0 479.519 -0.510 20 0 JBADRO Cc1ncc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)s1 ZINC001188424380 1068871467 /nfs/dbraw/zinc/87/14/67/1068871467.db2.gz VALHUHNZPGWPQD-WCQYABFASA-N 1 0 479.519 -0.510 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(F)c[nH]1)C(N)=O ZINC001188496845 1068872142 /nfs/dbraw/zinc/87/21/42/1068872142.db2.gz 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IYXNKBGIUFQPTE-WDSOQIARSA-N 1 0 477.610 -0.173 20 0 JBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC001191694637 1068901459 /nfs/dbraw/zinc/90/14/59/1068901459.db2.gz WHBWMIUKVLHOSX-HNNXBMFYSA-N 1 0 452.533 -0.319 20 0 JBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC001191694639 1068901350 /nfs/dbraw/zinc/90/13/50/1068901350.db2.gz WHBWMIUKVLHOSX-OAHLLOKOSA-N 1 0 452.533 -0.319 20 0 JBADRO COc1ccsc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001191765975 1068901533 /nfs/dbraw/zinc/90/15/33/1068901533.db2.gz LMNBZECMDIVASV-AAEUAGOBSA-N 1 0 494.530 -0.205 20 0 JBADRO COc1ccsc1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001191765988 1068901515 /nfs/dbraw/zinc/90/15/15/1068901515.db2.gz LMNBZECMDIVASV-WCQYABFASA-N 1 0 494.530 -0.205 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cncc(-c2cccs2)c1 ZINC001191826132 1068902685 /nfs/dbraw/zinc/90/26/85/1068902685.db2.gz KKNFNORKGZLCJS-FKQYMORYSA-N 1 0 469.483 -0.435 20 0 JBADRO Cc1c(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)ccn1C ZINC001191849168 1068902754 /nfs/dbraw/zinc/90/27/54/1068902754.db2.gz LLPQYQAOIQBCAR-DZGCQCFKSA-N 1 0 475.506 -0.628 20 0 JBADRO Cc1c(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)ccn1C ZINC001191849169 1068902627 /nfs/dbraw/zinc/90/26/27/1068902627.db2.gz LLPQYQAOIQBCAR-ZFWWWQNUSA-N 1 0 475.506 -0.628 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccncc1-c1ccccc1 ZINC001191906382 1068903202 /nfs/dbraw/zinc/90/32/02/1068903202.db2.gz KGPVNDKZWLWDQQ-BONWFUQQSA-N 1 0 463.454 -0.496 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cnn(C)c1Cl)C(N)=O ZINC001191951185 1068903284 /nfs/dbraw/zinc/90/32/84/1068903284.db2.gz UWAXBEMPLFDAAK-JYJNAYRXSA-N 1 0 484.001 -0.082 20 0 JBADRO Cc1nc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)no1 ZINC001192008781 1068903858 /nfs/dbraw/zinc/90/38/58/1068903858.db2.gz RTCRLFZUEDDNMP-KKUMJFAQSA-N 1 0 451.528 -0.777 20 0 JBADRO Cc1ccc(-c2cccc(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)n2)cc1 ZINC001192067991 1068904997 /nfs/dbraw/zinc/90/49/97/1068904997.db2.gz HIKIGXIOBSZZDM-RPLGYBLPSA-N 1 0 477.481 -0.188 20 0 JBADRO Cc1cc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)cc(=O)[nH]1 ZINC001192242405 1068905612 /nfs/dbraw/zinc/90/56/12/1068905612.db2.gz UFTRHNHWRQLRRO-LNLFQRSKSA-N 1 0 476.578 -0.060 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccn[nH]c1=O)C(N)=O ZINC001192405480 1068907233 /nfs/dbraw/zinc/90/72/33/1068907233.db2.gz ZSVBGKSVBINASA-JYJNAYRXSA-N 1 0 463.539 -0.973 20 0 JBADRO CCc1c(Br)cccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001192422185 1068906613 /nfs/dbraw/zinc/90/66/13/1068906613.db2.gz BXJIILRRWAMLDC-LZDVPDMXSA-N 1 0 493.318 -0.234 20 0 JBADRO O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001192425847 1068906543 /nfs/dbraw/zinc/90/65/43/1068906543.db2.gz CULFUDDDEZOHOF-LEWJYISDSA-N 1 0 450.605 -0.326 20 0 JBADRO O=C(CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001192425849 1068906656 /nfs/dbraw/zinc/90/66/56/1068906656.db2.gz CULFUDDDEZOHOF-NHCUHLMSSA-N 1 0 450.605 -0.326 20 0 JBADRO O=C(CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001192425851 1068906705 /nfs/dbraw/zinc/90/67/05/1068906705.db2.gz CULFUDDDEZOHOF-RTWAWAEBSA-N 1 0 450.605 -0.326 20 0 JBADRO O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001192425854 1068906528 /nfs/dbraw/zinc/90/65/28/1068906528.db2.gz CULFUDDDEZOHOF-SFTDATJTSA-N 1 0 450.605 -0.326 20 0 JBADRO Cc1cc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)c(C)n1C ZINC001192441721 1068907157 /nfs/dbraw/zinc/90/71/57/1068907157.db2.gz KHZUIWXDTWZSDL-GOEBONIOSA-N 1 0 489.533 -0.319 20 0 JBADRO Cc1cc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c(C)n1C ZINC001192441723 1068907270 /nfs/dbraw/zinc/90/72/70/1068907270.db2.gz KHZUIWXDTWZSDL-HOCLYGCPSA-N 1 0 489.533 -0.319 20 0 JBADRO Cc1nc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)sc1C ZINC001192610385 1068907773 /nfs/dbraw/zinc/90/77/73/1068907773.db2.gz GNRFPSZWFCJCMY-QWHCGFSZSA-N 1 0 493.546 -0.201 20 0 JBADRO Cc1nc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)sc1C ZINC001192610396 1068907789 /nfs/dbraw/zinc/90/77/89/1068907789.db2.gz GNRFPSZWFCJCMY-STQMWFEESA-N 1 0 493.546 -0.201 20 0 JBADRO CCCCOC(=O)c1ccccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001192620944 1068907892 /nfs/dbraw/zinc/90/78/92/1068907892.db2.gz AVUBMQQXRGGTHS-NOAAKOMESA-N 1 0 486.485 -0.602 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(Cl)nn1C)C(N)=O ZINC001192926001 1068909402 /nfs/dbraw/zinc/90/94/02/1068909402.db2.gz YGMAZUJJOZLKPS-ZQIUZPCESA-N 1 0 484.001 -0.082 20 0 JBADRO Cc1cnncc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001192945303 1068909552 /nfs/dbraw/zinc/90/95/52/1068909552.db2.gz CCYUWCRWXGZJFU-BZSNNMDCSA-N 1 0 461.567 -0.370 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1ccnc(C3CC3)c1)c(N)nc2=O ZINC001193015636 1068910448 /nfs/dbraw/zinc/91/04/48/1068910448.db2.gz JKRDHIVFAWLGKW-DOTOQJQBSA-N 1 0 499.528 -0.002 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1ccnc(C3CC3)c1)c(N)nc2=O ZINC001193015637 1068910531 /nfs/dbraw/zinc/91/05/31/1068910531.db2.gz JKRDHIVFAWLGKW-RDJZCZTQSA-N 1 0 499.528 -0.002 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cccc(OC2CCC2)c1 ZINC001193197405 1068911626 /nfs/dbraw/zinc/91/16/26/1068911626.db2.gz NKVIHVFCVPJKLN-NOAAKOMESA-N 1 0 456.459 -0.627 20 0 JBADRO Cc1ccc(=O)[nH]c1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001193203190 1068911749 /nfs/dbraw/zinc/91/17/49/1068911749.db2.gz GZADRTJSLBEXOL-BQFCYCMXSA-N 1 0 476.578 -0.060 20 0 JBADRO Cc1cc(F)cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)c1Cl ZINC001193313935 1068914146 /nfs/dbraw/zinc/91/41/46/1068914146.db2.gz BGFVHLQNADHBKY-UBWLSIKFSA-N 1 0 452.830 -0.457 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(CO)cn1)C(N)=O ZINC001193326804 1068913481 /nfs/dbraw/zinc/91/34/81/1068913481.db2.gz QUKNFINQILJYKA-FHWLQOOXSA-N 1 0 476.578 -0.582 20 0 JBADRO O=C(c1cccc(OCCO)c1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001193334968 1068914220 /nfs/dbraw/zinc/91/42/20/1068914220.db2.gz REOYMAHSDGRQKG-FUHWJXTLSA-N 1 0 474.539 -0.057 20 0 JBADRO Cc1c[nH]c(C)c1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001193359777 1068914037 /nfs/dbraw/zinc/91/40/37/1068914037.db2.gz FUMYHYGATMJBDF-DZGCQCFKSA-N 1 0 475.506 -0.330 20 0 JBADRO Cc1c[nH]c(C)c1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001193359778 1068914134 /nfs/dbraw/zinc/91/41/34/1068914134.db2.gz FUMYHYGATMJBDF-ZFWWWQNUSA-N 1 0 475.506 -0.330 20 0 JBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC001193429905 1068915149 /nfs/dbraw/zinc/91/51/49/1068915149.db2.gz ADFRTXWTFCAPQX-UHFFFAOYSA-N 1 0 455.563 -0.139 20 0 JBADRO COc1ccnc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)c1O ZINC001193540656 1068915753 /nfs/dbraw/zinc/91/57/53/1068915753.db2.gz RIQJOKDCKXPGEY-ZOBUZTSGSA-N 1 0 492.577 -0.360 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ncccc1C(N)=O)C(N)=O ZINC001193616837 1068916039 /nfs/dbraw/zinc/91/60/39/1068916039.db2.gz CBIDZRMVOVMFNS-ULQDDVLXSA-N 1 0 489.577 -0.975 20 0 JBADRO O=C(c1ccc(-n2cncn2)nc1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001193691842 1068916724 /nfs/dbraw/zinc/91/67/24/1068916724.db2.gz WOQYIPYNQBBFDM-DLBZAZTESA-N 1 0 466.527 -0.158 20 0 JBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1=O ZINC001193729706 1068916770 /nfs/dbraw/zinc/91/67/70/1068916770.db2.gz IGHDHPLLSWWRTM-CYBMUJFWSA-N 1 0 451.542 -0.313 20 0 JBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1=O ZINC001193729715 1068916794 /nfs/dbraw/zinc/91/67/94/1068916794.db2.gz IGHDHPLLSWWRTM-ZDUSSCGKSA-N 1 0 451.542 -0.313 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cncc(N(C)C)c1)C(N)=O ZINC001193817118 1068917638 /nfs/dbraw/zinc/91/76/38/1068917638.db2.gz FGCMYPUBQODXMX-UFYCRDLUSA-N 1 0 489.621 -0.008 20 0 JBADRO CC(=O)c1nc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)cn1C ZINC001193840319 1068917111 /nfs/dbraw/zinc/91/71/11/1068917111.db2.gz DODUPJNFFIBVSR-SZMVWBNQSA-N 1 0 491.593 -0.533 20 0 JBADRO Cc1ccc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)[nH]1 ZINC001193910837 1068918304 /nfs/dbraw/zinc/91/83/04/1068918304.db2.gz ICFVCQLROGVYMH-GXTWGEPZSA-N 1 0 461.479 -0.638 20 0 JBADRO Cc1ccc(C(=O)n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)[nH]1 ZINC001193910840 1068918289 /nfs/dbraw/zinc/91/82/89/1068918289.db2.gz ICFVCQLROGVYMH-JSGCOSHPSA-N 1 0 461.479 -0.638 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(CO)ccn1)C(N)=O ZINC001193936539 1068918376 /nfs/dbraw/zinc/91/83/76/1068918376.db2.gz HWEIWFMEVHWTNK-WDSOQIARSA-N 1 0 476.578 -0.582 20 0 JBADRO C[NH+]1CCN(c2cncc(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)c2)CC1 ZINC001193940232 1068918253 /nfs/dbraw/zinc/91/82/53/1068918253.db2.gz RLUYOVCAURTJNB-NJDAHSKKSA-N 1 0 491.614 -0.433 20 0 JBADRO C[NH+]1CCN(c2cncc(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)c2)CC1 ZINC001193940233 1068918083 /nfs/dbraw/zinc/91/80/83/1068918083.db2.gz RLUYOVCAURTJNB-PWRODBHTSA-N 1 0 491.614 -0.433 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cncc(N2CC[NH+](C)CC2)c1)C(=O)NCC(N)=O ZINC001193944464 1068918685 /nfs/dbraw/zinc/91/86/85/1068918685.db2.gz UBIFHXNAYMWNSP-PMACEKPBSA-N 1 0 487.605 -0.430 20 0 JBADRO C[NH+]1CCN(c2cncc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc3)c2)CC1 ZINC001193946477 1068918722 /nfs/dbraw/zinc/91/87/22/1068918722.db2.gz CUGBOXGGAQUHSL-KPUUQYQLSA-N 1 0 490.582 -0.022 20 0 JBADRO C[NH+]1CCN(c2cncc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)c2)CC1 ZINC001193946478 1068918865 /nfs/dbraw/zinc/91/88/65/1068918865.db2.gz CUGBOXGGAQUHSL-MKQKURRLSA-N 1 0 490.582 -0.022 20 0 JBADRO C[NH+]1CCN(c2cncc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)c2)CC1 ZINC001193946479 1068918746 /nfs/dbraw/zinc/91/87/46/1068918746.db2.gz CUGBOXGGAQUHSL-RRPPUSTOSA-N 1 0 490.582 -0.022 20 0 JBADRO C[NH+]1CCN(c2cncc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c2)CC1 ZINC001193946481 1068918833 /nfs/dbraw/zinc/91/88/33/1068918833.db2.gz CUGBOXGGAQUHSL-YBNCXLCVSA-N 1 0 490.582 -0.022 20 0 JBADRO C[NH+]1CCN(c2cncc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N3CCC[C@H]3C(N)=O)c2)CC1 ZINC001193954902 1068918666 /nfs/dbraw/zinc/91/86/66/1068918666.db2.gz KVXAAHBXLPQKIJ-OALUTQOASA-N 1 0 454.535 -0.626 20 0 JBADRO Cc1nc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)c(=O)[nH]c1C ZINC001193978805 1068918711 /nfs/dbraw/zinc/91/87/11/1068918711.db2.gz HXFKVXXRWOHIRT-ULQDDVLXSA-N 1 0 491.593 -0.769 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cncc(-c2ccsc2)c1 ZINC001193994613 1068919292 /nfs/dbraw/zinc/91/92/92/1068919292.db2.gz FWNVHSVLLDYWHJ-DZDCQFRTSA-N 1 0 469.483 -0.435 20 0 JBADRO Cc1cc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)ncn1 ZINC001194065306 1068919199 /nfs/dbraw/zinc/91/91/99/1068919199.db2.gz MHJLMHMZNQIQIV-SZMVWBNQSA-N 1 0 461.567 -0.370 20 0 JBADRO Cc1cnc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)nc1 ZINC001194082686 1068919271 /nfs/dbraw/zinc/91/92/71/1068919271.db2.gz KRBTZODKYSCKOH-ULQDDVLXSA-N 1 0 461.567 -0.370 20 0 JBADRO CS(=O)(=O)c1cncc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c1 ZINC001194121449 1068919714 /nfs/dbraw/zinc/91/97/14/1068919714.db2.gz NEBYHSSEFCVKQQ-DLBZAZTESA-N 1 0 477.568 -0.335 20 0 JBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cncc(S(C)(=O)=O)c2)c2nonc21 ZINC001194140834 1068920241 /nfs/dbraw/zinc/92/02/41/1068920241.db2.gz VBLSLGZXQKQHIW-UHFFFAOYSA-N 1 0 468.517 -0.123 20 0 JBADRO Cc1[nH]c(=O)ncc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001194190999 1068920338 /nfs/dbraw/zinc/92/03/38/1068920338.db2.gz WFAOWLWTBMCVRB-ULQDDVLXSA-N 1 0 477.566 -0.665 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccc(OCC2CC2)c(Cl)c1 ZINC001194207567 1068920263 /nfs/dbraw/zinc/92/02/63/1068920263.db2.gz GRZWINRKKZIIOQ-NOAAKOMESA-N 1 0 490.904 -0.116 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1c[nH]c(=S)n1C)C(N)=O ZINC001194258814 1068920854 /nfs/dbraw/zinc/92/08/54/1068920854.db2.gz KALZVMDBXSCMSM-DZKIICNBSA-N 1 0 481.623 -0.447 20 0 JBADRO COC(=O)c1cc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)[nH]n1 ZINC001194299609 1068920864 /nfs/dbraw/zinc/92/08/64/1068920864.db2.gz XMKCKQTXBBBPJJ-JQFCIGGWSA-N 1 0 493.565 -0.959 20 0 JBADRO CCOc1c(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)cnn1C ZINC001194381854 1068921371 /nfs/dbraw/zinc/92/13/71/1068921371.db2.gz FSOHZQJUIVQPEI-BZSNNMDCSA-N 1 0 493.609 -0.337 20 0 JBADRO C[C@@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC001194411043 1068921790 /nfs/dbraw/zinc/92/17/90/1068921790.db2.gz XSXQZXGZGXHFOD-HDICACEKSA-N 1 0 454.593 -0.289 20 0 JBADRO CCOc1cc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)cnn1 ZINC001194464422 1068921769 /nfs/dbraw/zinc/92/17/69/1068921769.db2.gz UJEUZFRFQVCZDJ-LNLFQRSKSA-N 1 0 491.593 -0.280 20 0 JBADRO CCn1cccc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)c1=O ZINC001194482234 1068922315 /nfs/dbraw/zinc/92/23/15/1068922315.db2.gz JCSHKYUFRUGACJ-FHWLQOOXSA-N 1 0 490.605 -0.287 20 0 JBADRO COCCn1cccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c1=O ZINC001194491639 1068922207 /nfs/dbraw/zinc/92/22/07/1068922207.db2.gz OSHUMQTUJBHNQY-ZWKOTPCHSA-N 1 0 473.555 -0.326 20 0 JBADRO COCCn1cccc(C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)c1=O ZINC001194504926 1068922297 /nfs/dbraw/zinc/92/22/97/1068922297.db2.gz ZOEGNLFWKAHMMN-UHFFFAOYSA-N 1 0 464.504 -0.113 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccnn1CCF)C(N)=O ZINC001194547048 1068922625 /nfs/dbraw/zinc/92/26/25/1068922625.db2.gz KPCDAFWURSTLIK-BQFCYCMXSA-N 1 0 481.573 -0.303 20 0 JBADRO C[NH+]1CCN(c2ccc(C(=O)N[C@H]3[C@H](n4ccc(N)nc4=O)O[C@H](CO)[C@H]3O)c(F)c2)CC1 ZINC001194550977 1068922768 /nfs/dbraw/zinc/92/27/68/1068922768.db2.gz CEWRXTAQWMTCFQ-DLVXIWMQSA-N 1 0 462.482 -0.992 20 0 JBADRO COc1c(Cl)c(Cl)sc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001194563689 1068922334 /nfs/dbraw/zinc/92/23/34/1068922334.db2.gz ULWKEEAXASBXOX-ZXQKYCJNSA-N 1 0 491.313 -0.182 20 0 JBADRO C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(Br)cc2N2CC[NH+](C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001194611261 1068922859 /nfs/dbraw/zinc/92/28/59/1068922859.db2.gz KBIYRSRANHANSC-CXAZJQLCSA-N 1 0 488.379 -0.225 20 0 JBADRO COCCn1cncc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001194661792 1068923844 /nfs/dbraw/zinc/92/38/44/1068923844.db2.gz BJEBTZRUYUMXOU-LNLFQRSKSA-N 1 0 493.609 -0.626 20 0 JBADRO COCCn1cnc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC001194675436 1068923735 /nfs/dbraw/zinc/92/37/35/1068923735.db2.gz RNQLUSWQVPRTLY-WDSOQIARSA-N 1 0 493.609 -0.626 20 0 JBADRO CS(=O)(=O)c1cc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)ccn1 ZINC001194682961 1068923717 /nfs/dbraw/zinc/92/37/17/1068923717.db2.gz AOOFYPQXQXPBKA-JKSUJKDBSA-N 1 0 477.568 -0.335 20 0 JBADRO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2ccnc(S(C)(=O)=O)c2)c2nonc21 ZINC001194691644 1068924360 /nfs/dbraw/zinc/92/43/60/1068924360.db2.gz OMJPYBIQVPSBGJ-UHFFFAOYSA-N 1 0 468.517 -0.123 20 0 JBADRO O=C(c1cn(-c2cnccn2)cn1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001194719908 1068924798 /nfs/dbraw/zinc/92/47/98/1068924798.db2.gz LPKIIAZOLYZLGA-DOTOQJQBSA-N 1 0 466.527 -0.158 20 0 JBADRO COc1cc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n(C)n1 ZINC001194751831 1068924679 /nfs/dbraw/zinc/92/46/79/1068924679.db2.gz YVJIUZHBZGJHRA-MPGHIAIKSA-N 1 0 479.582 -0.727 20 0 JBADRO CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)NCCN(CC[NH3+])N(O)N=O)cn2)CC1 ZINC001194824654 1068925278 /nfs/dbraw/zinc/92/52/78/1068925278.db2.gz DSQGBXRXEMNMMT-UHFFFAOYSA-N 1 0 453.504 -0.188 20 0 JBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)CC2)cc1OC ZINC001194846452 1068926276 /nfs/dbraw/zinc/92/62/76/1068926276.db2.gz NAPROXXWQRABJT-HNNXBMFYSA-N 1 0 454.549 -0.266 20 0 JBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](CC(N)=O)C3)CC2)cc1OC ZINC001194846453 1068926329 /nfs/dbraw/zinc/92/63/29/1068926329.db2.gz NAPROXXWQRABJT-OAHLLOKOSA-N 1 0 454.549 -0.266 20 0 JBADRO Cc1cn(C)nc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001194848505 1068926199 /nfs/dbraw/zinc/92/61/99/1068926199.db2.gz AAVNEOFTUOEJMK-ULQDDVLXSA-N 1 0 463.583 -0.427 20 0 JBADRO CN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001194857921 1068925818 /nfs/dbraw/zinc/92/58/18/1068925818.db2.gz AVYSHKBBHYEGFY-NRFANRHFSA-N 1 0 451.637 -0.071 20 0 JBADRO CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001194857923 1068925728 /nfs/dbraw/zinc/92/57/28/1068925728.db2.gz AVYSHKBBHYEGFY-OAQYLSRUSA-N 1 0 451.637 -0.071 20 0 JBADRO Cc1c(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)ncn1C ZINC001194868661 1068925868 /nfs/dbraw/zinc/92/58/68/1068925868.db2.gz QUTQIBQLBSSMTB-ULQDDVLXSA-N 1 0 463.583 -0.427 20 0 JBADRO O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001194880559 1068925778 /nfs/dbraw/zinc/92/57/78/1068925778.db2.gz ZPPOCQBLIRGKSG-DXHZJSNDSA-N 1 0 475.517 -0.322 20 0 JBADRO O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1cc(F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001194880560 1068925853 /nfs/dbraw/zinc/92/58/53/1068925853.db2.gz ZPPOCQBLIRGKSG-MOGNJTFLSA-N 1 0 475.517 -0.322 20 0 JBADRO Cc1cnc(C)c(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC001194924413 1068926115 /nfs/dbraw/zinc/92/61/15/1068926115.db2.gz VHHFJITYJZUULE-BZSNNMDCSA-N 1 0 475.594 -0.062 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1c[nH]nc1Cl)C(N)=O ZINC001194961960 1068926232 /nfs/dbraw/zinc/92/62/32/1068926232.db2.gz AUWNSAGSTNMASO-KKUMJFAQSA-N 1 0 469.974 -0.092 20 0 JBADRO COc1nccnc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001195096176 1068927295 /nfs/dbraw/zinc/92/72/95/1068927295.db2.gz KHTUGTCMBXDACY-JYJNAYRXSA-N 1 0 477.566 -0.670 20 0 JBADRO Cc1cc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)cn(C)c1=O ZINC001195121114 1068927729 /nfs/dbraw/zinc/92/77/29/1068927729.db2.gz UZYVGRJRKOSREX-FHWLQOOXSA-N 1 0 490.605 -0.462 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1cc(Cl)c(Cl)s1 ZINC001195180115 1068927819 /nfs/dbraw/zinc/92/78/19/1068927819.db2.gz REAXZZSIQRSVQL-QBDBIYGVSA-N 1 0 461.287 -0.190 20 0 JBADRO Cc1ccc(O)c(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC001195335507 1068928772 /nfs/dbraw/zinc/92/87/72/1068928772.db2.gz LLIWTDKVGYXGQE-BQFCYCMXSA-N 1 0 476.578 -0.060 20 0 JBADRO Cc1cncnc1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001195371855 1068928759 /nfs/dbraw/zinc/92/87/59/1068928759.db2.gz DNFGHTSLBUOFOP-ULQDDVLXSA-N 1 0 461.567 -0.370 20 0 JBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cnccc1C(N)=O)C(N)=O ZINC001195446290 1068929344 /nfs/dbraw/zinc/92/93/44/1068929344.db2.gz JZQROUUSTSNMQP-BZSNNMDCSA-N 1 0 489.577 -0.975 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1nccc(Cl)c1Cl ZINC001195461884 1068929258 /nfs/dbraw/zinc/92/92/58/1068929258.db2.gz DICSMGHWFQTJCT-NZDZXGCSSA-N 1 0 456.246 -0.857 20 0 JBADRO COc1ccc(C(C)(C)C)cc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001195476130 1068929926 /nfs/dbraw/zinc/92/99/26/1068929926.db2.gz XYFYKLFAAASLLC-NOAAKOMESA-N 1 0 472.502 -0.252 20 0 JBADRO Cc1cc[nH]c1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001195499089 1068930001 /nfs/dbraw/zinc/93/00/01/1068930001.db2.gz AZEQAVZZOMUBJG-QWHCGFSZSA-N 1 0 461.479 -0.638 20 0 JBADRO Cc1cc[nH]c1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001195499095 1068929848 /nfs/dbraw/zinc/92/98/48/1068929848.db2.gz AZEQAVZZOMUBJG-STQMWFEESA-N 1 0 461.479 -0.638 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)c1ccc(C(=O)N2CCCCC2)cc1 ZINC001195510719 1068929967 /nfs/dbraw/zinc/92/99/67/1068929967.db2.gz XWYDWHIGJNOMMO-XJWYWRJQSA-N 1 0 497.512 -0.932 20 0 JBADRO Cc1cnn(C)c1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001195523070 1068930481 /nfs/dbraw/zinc/93/04/81/1068930481.db2.gz FGWJNQRBFCFHCQ-ULQDDVLXSA-N 1 0 463.583 -0.427 20 0 JBADRO CC(C)N(C(=O)c1cn(C)c(=O)n(C)c1=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001195536971 1068930890 /nfs/dbraw/zinc/93/08/90/1068930890.db2.gz YWZLXJQNGMGASO-UHFFFAOYSA-N 1 0 457.535 -0.546 20 0 JBADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)c1cn(C)c(=O)n(C)c1=O)S(=O)(=O)c1ccc(C)cc1 ZINC001195550116 1068931366 /nfs/dbraw/zinc/93/13/66/1068931366.db2.gz IWFNMMZIDYCRQQ-KRWDZBQOSA-N 1 0 480.543 -0.106 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1cccnc1C1CC1)c(N)nc2=O ZINC001195567448 1068931459 /nfs/dbraw/zinc/93/14/59/1068931459.db2.gz NIJBWSUAGCWRBO-GOEBONIOSA-N 1 0 499.528 -0.002 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1cccnc1C1CC1)c(N)nc2=O ZINC001195567498 1068931316 /nfs/dbraw/zinc/93/13/16/1068931316.db2.gz NIJBWSUAGCWRBO-HOCLYGCPSA-N 1 0 499.528 -0.002 20 0 JBADRO C[NH+](C)C[C@@]1(O)CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001195575729 1068931293 /nfs/dbraw/zinc/93/12/93/1068931293.db2.gz DJBJADDEZDZANB-NRFANRHFSA-N 1 0 454.593 -0.288 20 0 JBADRO C[NH+](C)C[C@]1(O)CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001195575732 1068931471 /nfs/dbraw/zinc/93/14/71/1068931471.db2.gz DJBJADDEZDZANB-OAQYLSRUSA-N 1 0 454.593 -0.288 20 0 JBADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1ccc(C3CC3)cn1)c(N)nc2=O ZINC001195623084 1068931330 /nfs/dbraw/zinc/93/13/30/1068931330.db2.gz WGRFOJVSFJOMRC-DOTOQJQBSA-N 1 0 499.528 -0.002 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1ccc(C3CC3)cn1)c(N)nc2=O ZINC001195623085 1068931482 /nfs/dbraw/zinc/93/14/82/1068931482.db2.gz WGRFOJVSFJOMRC-RDJZCZTQSA-N 1 0 499.528 -0.002 20 0 JBADRO C[N@@H+]1CCN(c2ncccc2C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001195707163 1068932369 /nfs/dbraw/zinc/93/23/69/1068932369.db2.gz AAFDXVJPUSKLEL-GAGMPZTMSA-N 1 0 458.515 -0.896 20 0 JBADRO C[N@@H+]1CCN(c2ncccc2C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@H](c2ccccc2)C1 ZINC001195707165 1068932261 /nfs/dbraw/zinc/93/22/61/1068932261.db2.gz AAFDXVJPUSKLEL-GAQSFIOXSA-N 1 0 458.515 -0.896 20 0 JBADRO C[N@@H+]1CCN(c2ncccc2C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](c2ccccc2)C1 ZINC001195707167 1068932455 /nfs/dbraw/zinc/93/24/55/1068932455.db2.gz AAFDXVJPUSKLEL-GCIBVHORSA-N 1 0 458.515 -0.896 20 0 JBADRO C[N@@H+]1CCN(c2ncccc2C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001195707168 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ZINC001218623514 1069510941 /nfs/dbraw/zinc/51/09/41/1069510941.db2.gz PMKCVDLWVAGQEK-KWBADKCTSA-N 1 0 459.500 -0.230 20 0 JBADRO COC(=O)c1sc(I)cc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218626291 1069510922 /nfs/dbraw/zinc/51/09/22/1069510922.db2.gz HOYFNFGOMNPFOT-FSPLSTOPSA-N 1 0 468.273 -0.215 20 0 JBADRO C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001218630041 1069511483 /nfs/dbraw/zinc/51/14/83/1069511483.db2.gz AWSPLZVJJYAYRI-HFUUILQTSA-N 1 0 471.411 -0.744 20 0 JBADRO C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001218630044 1069511440 /nfs/dbraw/zinc/51/14/40/1069511440.db2.gz AWSPLZVJJYAYRI-PQNDQDNYSA-N 1 0 471.411 -0.744 20 0 JBADRO [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001218631366 1069512461 /nfs/dbraw/zinc/51/24/61/1069512461.db2.gz HUPVWZORLGQAQX-GVVOETNBSA-N 1 0 471.411 -0.615 20 0 JBADRO [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001218631367 1069512509 /nfs/dbraw/zinc/51/25/09/1069512509.db2.gz HUPVWZORLGQAQX-JUWLTNNBSA-N 1 0 471.411 -0.615 20 0 JBADRO O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218632060 1069513067 /nfs/dbraw/zinc/51/30/67/1069513067.db2.gz JWIBCILPIRFQOH-MZDOUDQMSA-N 1 0 495.433 -0.587 20 0 JBADRO O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218632075 1069513015 /nfs/dbraw/zinc/51/30/15/1069513015.db2.gz JWIBCILPIRFQOH-UVXPNISDSA-N 1 0 495.433 -0.587 20 0 JBADRO O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218632077 1069513026 /nfs/dbraw/zinc/51/30/26/1069513026.db2.gz JWIBCILPIRFQOH-ZFTPBESFSA-N 1 0 495.433 -0.587 20 0 JBADRO O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218632079 1069513078 /nfs/dbraw/zinc/51/30/78/1069513078.db2.gz JWIBCILPIRFQOH-ZXGDMXOLSA-N 1 0 495.433 -0.587 20 0 JBADRO COC(=O)c1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)cn1C ZINC001218632323 1069512919 /nfs/dbraw/zinc/51/29/19/1069512919.db2.gz SLAYQDVDIQVDHG-BNLOLNQZSA-N 1 0 455.487 -0.348 20 0 JBADRO C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001218633361 1069514588 /nfs/dbraw/zinc/51/45/88/1069514588.db2.gz RUEUEPNLRMUERY-ZFTPBESFSA-N 1 0 485.438 -0.402 20 0 JBADRO C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001218633362 1069514525 /nfs/dbraw/zinc/51/45/25/1069514525.db2.gz RUEUEPNLRMUERY-ZXGDMXOLSA-N 1 0 485.438 -0.402 20 0 JBADRO COc1nc(Cl)ncc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218635421 1069515503 /nfs/dbraw/zinc/51/55/03/1069515503.db2.gz RCWYXCBBARTBEF-BHDSKKPTSA-N 1 0 460.894 -0.021 20 0 JBADRO COC(=O)c1onc(C)c1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218636103 1069515613 /nfs/dbraw/zinc/51/56/13/1069515613.db2.gz OLVZARXLIFGXDV-MJVIPROJSA-N 1 0 457.459 -0.390 20 0 JBADRO CCOC(=O)c1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)n(C)n1 ZINC001218637055 1069515664 /nfs/dbraw/zinc/51/56/64/1069515664.db2.gz PEOYVSAZVULUOD-PRXAMGSTSA-N 1 0 470.502 -0.563 20 0 JBADRO COC(=O)c1n[nH]c(C)c1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218641620 1069516185 /nfs/dbraw/zinc/51/61/85/1069516185.db2.gz ZFKYLBJWGWQGLI-MJVIPROJSA-N 1 0 456.475 -0.655 20 0 JBADRO Cc1nc(Cl)c(N)c(=N)n1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218642025 1069516226 /nfs/dbraw/zinc/51/62/26/1069516226.db2.gz MSLRBHXJCPEHCU-FWDPORAESA-N 1 0 459.910 -0.552 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC001218642890 1069516133 /nfs/dbraw/zinc/51/61/33/1069516133.db2.gz FSVPHKFOMSQLDG-HRCADAONSA-N 1 0 455.475 -0.174 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001218642896 1069516324 /nfs/dbraw/zinc/51/63/24/1069516324.db2.gz FSVPHKFOMSQLDG-JYJNAYRXSA-N 1 0 455.475 -0.174 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(Br)nc2ccccc21 ZINC001218644086 1069516354 /nfs/dbraw/zinc/51/63/54/1069516354.db2.gz JUBCYAGXABGXDI-UHFFFAOYSA-N 1 0 451.281 -0.757 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1c(N)c2nc(-c3cccc(O)c3)cnc2nc1=N ZINC001218645219 1069516031 /nfs/dbraw/zinc/51/60/31/1069516031.db2.gz BSCAWODPQRNTRY-NHYWBVRUSA-N 1 0 479.501 -0.645 20 0 JBADRO CC(=O)Nc1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)ccn1 ZINC001218650003 1069516055 /nfs/dbraw/zinc/51/60/55/1069516055.db2.gz QJCRYPVSOQASGL-MIUNTBIASA-N 1 0 452.487 -0.120 20 0 JBADRO COc1ncnc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)c1OC ZINC001218652129 1069516337 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ZINC001218668300 1069516097 /nfs/dbraw/zinc/51/60/97/1069516097.db2.gz AZQFIFZZRFEXBS-GMAHTHKFSA-N 1 0 499.616 -0.019 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218668966 1069516371 /nfs/dbraw/zinc/51/63/71/1069516371.db2.gz LCXJKXADYKBETG-OALUTQOASA-N 1 0 463.583 -0.447 20 0 JBADRO COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001218669773 1069516307 /nfs/dbraw/zinc/51/63/07/1069516307.db2.gz TVIJLZSKOYDGKF-UHFFFAOYSA-N 1 0 473.534 -0.576 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1cc(I)c2nccn2c1)C(N)=O ZINC001218674815 1069516766 /nfs/dbraw/zinc/51/67/66/1069516766.db2.gz HLBFXXPEFIQWJJ-GZMMTYOYSA-N 1 0 458.260 -0.025 20 0 JBADRO NC(=O)c1cc(I)cnc1NC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218674833 1069516616 /nfs/dbraw/zinc/51/66/16/1069516616.db2.gz HNMKOHNNJFSRPY-JTQLQIEISA-N 1 0 468.259 -0.339 20 0 JBADRO NC(=O)c1cc(I)cnc1NC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218674836 1069516927 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CS(=O)(=O)Cc1ncccc1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218781932 1069522976 /nfs/dbraw/zinc/52/29/76/1069522976.db2.gz AHRMNCPBAOPWKZ-RISCZKNCSA-N 1 0 454.940 -0.382 20 0 JBADRO CS(=O)(=O)Cc1ncccc1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218781934 1069522914 /nfs/dbraw/zinc/52/29/14/1069522914.db2.gz AHRMNCPBAOPWKZ-SMDDNHRTSA-N 1 0 454.940 -0.382 20 0 JBADRO Nc1ncn(C(=O)c2cnc(=O)n(C3CCOCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782774 1069522901 /nfs/dbraw/zinc/52/29/01/1069522901.db2.gz CRPFURZWNHRLSL-DOMZBBRYSA-N 1 0 463.926 -0.414 20 0 JBADRO Nc1ncn(C(=O)c2cnc(=O)n(C3CCOCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782782 1069522956 /nfs/dbraw/zinc/52/29/56/1069522956.db2.gz CRPFURZWNHRLSL-IUODEOHRSA-N 1 0 463.926 -0.414 20 0 JBADRO Nc1ncn(C(=O)c2cnc(=O)n(C3CCOCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782785 1069522958 /nfs/dbraw/zinc/52/29/58/1069522958.db2.gz CRPFURZWNHRLSL-SWLSCSKDSA-N 1 0 463.926 -0.414 20 0 JBADRO Nc1ncn(C(=O)c2cnc(=O)n(C3CCOCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782786 1069522940 /nfs/dbraw/zinc/52/29/40/1069522940.db2.gz CRPFURZWNHRLSL-WFASDCNBSA-N 1 0 463.926 -0.414 20 0 JBADRO Nc1ncn(C(=O)CN2CCN(c3ncccn3)CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783453 1069522946 /nfs/dbraw/zinc/52/29/46/1069522946.db2.gz XKKIMNXAJMJDRE-CABCVRRESA-N 1 0 461.958 -0.758 20 0 JBADRO Nc1ncn(C(=O)CN2CCN(c3ncccn3)CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783456 1069522893 /nfs/dbraw/zinc/52/28/93/1069522893.db2.gz XKKIMNXAJMJDRE-GJZGRUSLSA-N 1 0 461.958 -0.758 20 0 JBADRO Nc1ncn(C(=O)CN2CCN(c3ncccn3)CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783457 1069522953 /nfs/dbraw/zinc/52/29/53/1069522953.db2.gz XKKIMNXAJMJDRE-HUUCEWRRSA-N 1 0 461.958 -0.758 20 0 JBADRO Nc1ncn(C(=O)CN2CCN(c3ncccn3)CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783458 1069522847 /nfs/dbraw/zinc/52/28/47/1069522847.db2.gz XKKIMNXAJMJDRE-LSDHHAIUSA-N 1 0 461.958 -0.758 20 0 JBADRO CN1CCN(c2ccncc2C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218784709 1069522857 /nfs/dbraw/zinc/52/28/57/1069522857.db2.gz FNIIXFQVSNSEMD-PBHICJAKSA-N 1 0 460.970 -0.175 20 0 JBADRO CN1CCN(c2ccncc2C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218784711 1069522922 /nfs/dbraw/zinc/52/29/22/1069522922.db2.gz FNIIXFQVSNSEMD-RHSMWYFYSA-N 1 0 460.970 -0.175 20 0 JBADRO CN1CCN(c2ccncc2C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218784713 1069522884 /nfs/dbraw/zinc/52/28/84/1069522884.db2.gz FNIIXFQVSNSEMD-WMLDXEAASA-N 1 0 460.970 -0.175 20 0 JBADRO CN1CCN(c2ccncc2C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218784714 1069522866 /nfs/dbraw/zinc/52/28/66/1069522866.db2.gz FNIIXFQVSNSEMD-YOEHRIQHSA-N 1 0 460.970 -0.175 20 0 JBADRO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218785193 1069523460 /nfs/dbraw/zinc/52/34/60/1069523460.db2.gz SOZXPAHCDWHICU-BVYOLEPJSA-N 1 0 490.948 -0.622 20 0 JBADRO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218785240 1069523400 /nfs/dbraw/zinc/52/34/00/1069523400.db2.gz SOZXPAHCDWHICU-GFIVTLFCSA-N 1 0 490.948 -0.622 20 0 JBADRO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218785242 1069523411 /nfs/dbraw/zinc/52/34/11/1069523411.db2.gz SOZXPAHCDWHICU-LFEHRJTNSA-N 1 0 490.948 -0.622 20 0 JBADRO CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218785244 1069523334 /nfs/dbraw/zinc/52/33/34/1069523334.db2.gz SOZXPAHCDWHICU-MGTHKWJCSA-N 1 0 490.948 -0.622 20 0 JBADRO CCn1c2ccc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)cc2[nH]c(=O)c1=O ZINC001218785268 1069523365 /nfs/dbraw/zinc/52/33/65/1069523365.db2.gz SDKOAKFQSNFYOG-DOMZBBRYSA-N 1 0 473.921 -0.299 20 0 JBADRO CCn1c2ccc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)cc2[nH]c(=O)c1=O ZINC001218785273 1069523444 /nfs/dbraw/zinc/52/34/44/1069523444.db2.gz SDKOAKFQSNFYOG-IUODEOHRSA-N 1 0 473.921 -0.299 20 0 JBADRO CCn1c2ccc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)cc2[nH]c(=O)c1=O ZINC001218785276 1069523314 /nfs/dbraw/zinc/52/33/14/1069523314.db2.gz SDKOAKFQSNFYOG-SWLSCSKDSA-N 1 0 473.921 -0.299 20 0 JBADRO CCn1c2ccc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)cc2[nH]c(=O)c1=O ZINC001218785277 1069523420 /nfs/dbraw/zinc/52/34/20/1069523420.db2.gz SDKOAKFQSNFYOG-WFASDCNBSA-N 1 0 473.921 -0.299 20 0 JBADRO Nc1ncn(C(=O)c2cccc(N3CCCNC(=O)C3)n2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785305 1069523386 /nfs/dbraw/zinc/52/33/86/1069523386.db2.gz GVQNFXXXSMQECQ-DZGCQCFKSA-N 1 0 474.953 -0.600 20 0 JBADRO Nc1ncn(C(=O)c2cccc(N3CCCNC(=O)C3)n2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785309 1069523453 /nfs/dbraw/zinc/52/34/53/1069523453.db2.gz GVQNFXXXSMQECQ-HIFRSBDPSA-N 1 0 474.953 -0.600 20 0 JBADRO Nc1ncn(C(=O)c2cccc(N3CCCNC(=O)C3)n2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785311 1069523407 /nfs/dbraw/zinc/52/34/07/1069523407.db2.gz GVQNFXXXSMQECQ-UKRRQHHQSA-N 1 0 474.953 -0.600 20 0 JBADRO Nc1ncn(C(=O)c2cccc(N3CCCNC(=O)C3)n2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785312 1069523356 /nfs/dbraw/zinc/52/33/56/1069523356.db2.gz GVQNFXXXSMQECQ-ZFWWWQNUSA-N 1 0 474.953 -0.600 20 0 JBADRO Nc1ncn(C(=O)c2cc(N3CCCNC3=O)ncn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785608 1069523426 /nfs/dbraw/zinc/52/34/26/1069523426.db2.gz HOFLGAFDZQESCV-AAEUAGOBSA-N 1 0 461.914 -0.612 20 0 JBADRO Nc1ncn(C(=O)c2cc(N3CCCNC3=O)ncn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785627 1069523433 /nfs/dbraw/zinc/52/34/33/1069523433.db2.gz HOFLGAFDZQESCV-DGCLKSJQSA-N 1 0 461.914 -0.612 20 0 JBADRO Nc1ncn(C(=O)c2cc(N3CCCNC3=O)ncn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785631 1069523325 /nfs/dbraw/zinc/52/33/25/1069523325.db2.gz HOFLGAFDZQESCV-WCQYABFASA-N 1 0 461.914 -0.612 20 0 JBADRO Nc1ncn(C(=O)c2cc(N3CCCNC3=O)ncn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785632 1069523380 /nfs/dbraw/zinc/52/33/80/1069523380.db2.gz HOFLGAFDZQESCV-YPMHNXCESA-N 1 0 461.914 -0.612 20 0 JBADRO Nc1ncn(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785763 1069523370 /nfs/dbraw/zinc/52/33/70/1069523370.db2.gz UHPXERQHJFEISD-GWCFXTLKSA-N 1 0 469.893 -0.438 20 0 JBADRO Nc1ncn(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785768 1069523469 /nfs/dbraw/zinc/52/34/69/1069523469.db2.gz UHPXERQHJFEISD-GXFFZTMASA-N 1 0 469.893 -0.438 20 0 JBADRO Nc1ncn(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785770 1069523393 /nfs/dbraw/zinc/52/33/93/1069523393.db2.gz UHPXERQHJFEISD-MFKMUULPSA-N 1 0 469.893 -0.438 20 0 JBADRO Nc1ncn(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785773 1069523807 /nfs/dbraw/zinc/52/38/07/1069523807.db2.gz UHPXERQHJFEISD-ZWNOBZJWSA-N 1 0 469.893 -0.438 20 0 JBADRO COCCC1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CCS(=O)(=O)CC1 ZINC001218787117 1069523843 /nfs/dbraw/zinc/52/38/43/1069523843.db2.gz ZMGKHGBMYOEPLM-KBPBESRZSA-N 1 0 475.999 -0.139 20 0 JBADRO COCCC1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CCS(=O)(=O)CC1 ZINC001218787122 1069523869 /nfs/dbraw/zinc/52/38/69/1069523869.db2.gz ZMGKHGBMYOEPLM-KGLIPLIRSA-N 1 0 475.999 -0.139 20 0 JBADRO COCCC1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CCS(=O)(=O)CC1 ZINC001218787124 1069523815 /nfs/dbraw/zinc/52/38/15/1069523815.db2.gz ZMGKHGBMYOEPLM-UONOGXRCSA-N 1 0 475.999 -0.139 20 0 JBADRO COCCC1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CCS(=O)(=O)CC1 ZINC001218787126 1069523899 /nfs/dbraw/zinc/52/38/99/1069523899.db2.gz ZMGKHGBMYOEPLM-ZIAGYGMSSA-N 1 0 475.999 -0.139 20 0 JBADRO CNS(=O)(=O)c1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001218787340 1069523826 /nfs/dbraw/zinc/52/38/26/1069523826.db2.gz LFWVQLDIHSOPHK-GXTWGEPZSA-N 1 0 454.940 -0.414 20 0 JBADRO CNS(=O)(=O)c1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001218787343 1069523802 /nfs/dbraw/zinc/52/38/02/1069523802.db2.gz LFWVQLDIHSOPHK-JSGCOSHPSA-N 1 0 454.940 -0.414 20 0 JBADRO CNS(=O)(=O)c1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001218787345 1069523850 /nfs/dbraw/zinc/52/38/50/1069523850.db2.gz LFWVQLDIHSOPHK-OCCSQVGLSA-N 1 0 454.940 -0.414 20 0 JBADRO CNS(=O)(=O)c1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001218787346 1069524315 /nfs/dbraw/zinc/52/43/15/1069524315.db2.gz LFWVQLDIHSOPHK-TZMCWYRMSA-N 1 0 454.940 -0.414 20 0 JBADRO Nc1ncn(C(=O)c2ccc(N3CCCNC3=O)nc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218788232 1069524375 /nfs/dbraw/zinc/52/43/75/1069524375.db2.gz NFLPEYDHFLWLMC-GXTWGEPZSA-N 1 0 460.926 -0.007 20 0 JBADRO Nc1ncn(C(=O)c2ccc(N3CCCNC3=O)nc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218788235 1069524335 /nfs/dbraw/zinc/52/43/35/1069524335.db2.gz NFLPEYDHFLWLMC-JSGCOSHPSA-N 1 0 460.926 -0.007 20 0 JBADRO Nc1ncn(C(=O)c2ccc(N3CCCNC3=O)nc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218788236 1069524381 /nfs/dbraw/zinc/52/43/81/1069524381.db2.gz NFLPEYDHFLWLMC-OCCSQVGLSA-N 1 0 460.926 -0.007 20 0 JBADRO Nc1ncn(C(=O)c2ccc(N3CCCNC3=O)nc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218788237 1069524308 /nfs/dbraw/zinc/52/43/08/1069524308.db2.gz NFLPEYDHFLWLMC-TZMCWYRMSA-N 1 0 460.926 -0.007 20 0 JBADRO Nc1ncn(C(=O)c2nc(Br)c[nH]c2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218788262 1069524294 /nfs/dbraw/zinc/52/42/94/1069524294.db2.gz NNABARUESSDBBP-HTQZYQBOSA-N 1 0 458.704 -0.476 20 0 JBADRO Nc1ncn(C(=O)c2nc(Br)c[nH]c2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218788265 1069524255 /nfs/dbraw/zinc/52/42/55/1069524255.db2.gz NNABARUESSDBBP-JGVFFNPUSA-N 1 0 458.704 -0.476 20 0 JBADRO Nc1ncn(C(=O)c2nc(Br)c[nH]c2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218788267 1069524425 /nfs/dbraw/zinc/52/44/25/1069524425.db2.gz NNABARUESSDBBP-SFYZADRCSA-N 1 0 458.704 -0.476 20 0 JBADRO Nc1ncn(C(=O)c2nc(Br)c[nH]c2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218788268 1069524287 /nfs/dbraw/zinc/52/42/87/1069524287.db2.gz NNABARUESSDBBP-YUMQZZPRSA-N 1 0 458.704 -0.476 20 0 JBADRO CCc1c(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c(C(N)=O)nn1C ZINC001218788836 1069524386 /nfs/dbraw/zinc/52/43/86/1069524386.db2.gz VAVCYWGOKSQVMO-YJBOKZPZSA-N 1 0 471.562 -0.153 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)c1 ZINC001218789183 1069524368 /nfs/dbraw/zinc/52/43/68/1069524368.db2.gz RNBRKGLGTZGVEL-DZGCQCFKSA-N 1 0 468.967 -0.071 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001218789184 1069524320 /nfs/dbraw/zinc/52/43/20/1069524320.db2.gz RNBRKGLGTZGVEL-HIFRSBDPSA-N 1 0 468.967 -0.071 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)c1 ZINC001218789186 1069524972 /nfs/dbraw/zinc/52/49/72/1069524972.db2.gz RNBRKGLGTZGVEL-UKRRQHHQSA-N 1 0 468.967 -0.071 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001218789188 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ZINC001218790243 1069524932 /nfs/dbraw/zinc/52/49/32/1069524932.db2.gz FTBWKMXATOYJOE-BNLOLNQZSA-N 1 0 483.497 -0.283 20 0 JBADRO CC(C)(C)OC(=O)c1c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])onc1-c1ccccc1 ZINC001218794085 1069524878 /nfs/dbraw/zinc/52/48/78/1069524878.db2.gz KVYSUGLPVJDQEA-UHFFFAOYSA-N 1 0 488.501 -0.457 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nc2n[nH]cc2c(Cl)n1)C(=O)CF ZINC001218799586 1069524829 /nfs/dbraw/zinc/52/48/29/1069524829.db2.gz VWYUVWHGASNTNY-FWDPORAESA-N 1 0 470.893 -0.154 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc([S@@](C)=O)nc(Cl)c1Br ZINC001218799767 1069524988 /nfs/dbraw/zinc/52/49/88/1069524988.db2.gz AAYPSVZVDTWVPB-CBOANFONSA-N 1 0 455.722 -0.724 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc([S@](C)=O)nc(Cl)c1Br ZINC001218799768 1069524945 /nfs/dbraw/zinc/52/49/45/1069524945.db2.gz AAYPSVZVDTWVPB-MDNHBHJUSA-N 1 0 455.722 -0.724 20 0 JBADRO COCCOc1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)ccn1 ZINC001218806569 1069524955 /nfs/dbraw/zinc/52/49/55/1069524955.db2.gz ACGIRTLEIPJTFN-RFUYNDQBSA-N 1 0 469.514 -0.053 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)NCCO2)C(=O)CF ZINC001218816911 1069524963 /nfs/dbraw/zinc/52/49/63/1069524963.db2.gz OBASDNFTFYLGKD-ODYMNIRHSA-N 1 0 479.509 -0.351 20 0 JBADRO COc1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(C(=O)c2ccc(Cl)cc2)c1 ZINC001218819049 1069524894 /nfs/dbraw/zinc/52/48/94/1069524894.db2.gz IBKPEEFUVZKVMN-UHFFFAOYSA-N 1 0 489.916 -0.175 20 0 JBADRO COc1cccc(-c2cc(=O)c3ccccc3o2)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218821010 1069525016 /nfs/dbraw/zinc/52/50/16/1069525016.db2.gz AQENGRSUPSULES-UHFFFAOYSA-N 1 0 495.492 -0.286 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001218822654 1069525410 /nfs/dbraw/zinc/52/54/10/1069525410.db2.gz DAKPFFUHVCIZLI-FPXQBCRKSA-N 1 0 495.602 -0.123 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001218822658 1069525545 /nfs/dbraw/zinc/52/55/45/1069525545.db2.gz DAKPFFUHVCIZLI-JEWRLFTDSA-N 1 0 495.602 -0.123 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001218822661 1069525425 /nfs/dbraw/zinc/52/54/25/1069525425.db2.gz DAKPFFUHVCIZLI-RCJHGTSTSA-N 1 0 495.602 -0.123 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(N)=O ZINC001218823859 1069525635 /nfs/dbraw/zinc/52/56/35/1069525635.db2.gz KIXHNNAESIITDO-AYMQEEERSA-N 1 0 469.564 -0.480 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(N)=O ZINC001218823866 1069525647 /nfs/dbraw/zinc/52/56/47/1069525647.db2.gz KIXHNNAESIITDO-QDEZUTFSSA-N 1 0 469.564 -0.480 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(N)=O ZINC001218823867 1069525457 /nfs/dbraw/zinc/52/54/57/1069525457.db2.gz KIXHNNAESIITDO-VWPFQQQWSA-N 1 0 469.564 -0.480 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001218824332 1069525506 /nfs/dbraw/zinc/52/55/06/1069525506.db2.gz NDDJUCYSDCGRDV-FOCJUVANSA-N 1 0 455.537 -0.870 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001218824333 1069525599 /nfs/dbraw/zinc/52/55/99/1069525599.db2.gz NDDJUCYSDCGRDV-QCQGSNGOSA-N 1 0 455.537 -0.870 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001218824334 1069525687 /nfs/dbraw/zinc/52/56/87/1069525687.db2.gz NDDJUCYSDCGRDV-ZWUHOBOKSA-N 1 0 455.537 -0.870 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1c(F)cc(F)c(F)c1Br ZINC001218830289 1069525432 /nfs/dbraw/zinc/52/54/32/1069525432.db2.gz LMYOZTHUBBXCEE-UHFFFAOYSA-N 1 0 454.203 -0.888 20 0 JBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1cncnc1 ZINC001218836990 1069525439 /nfs/dbraw/zinc/52/54/39/1069525439.db2.gz KTKUKFCJNJRWNQ-GUYCJALGSA-N 1 0 454.487 -0.034 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1cncnc1 ZINC001218837909 1069525448 /nfs/dbraw/zinc/52/54/48/1069525448.db2.gz YKKSNNZXURDLQS-GUYCJALGSA-N 1 0 481.513 -0.151 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001218839782 1069525558 /nfs/dbraw/zinc/52/55/58/1069525558.db2.gz KFTYSWWASASJQZ-UHFFFAOYSA-N 1 0 484.229 -0.407 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC001218840029 1069525656 /nfs/dbraw/zinc/52/56/56/1069525656.db2.gz KONHQDDLLGXQPH-UHFFFAOYSA-N 1 0 472.468 -0.059 20 0 JBADRO Cc1cc(C)nc(Sc2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2)n1 ZINC001218843731 1069525579 /nfs/dbraw/zinc/52/55/79/1069525579.db2.gz XMWYUTNQVDPJJI-UHFFFAOYSA-N 1 0 459.532 -0.510 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001218848613 1069525471 /nfs/dbraw/zinc/52/54/71/1069525471.db2.gz PALKCVODWYAIHF-UHFFFAOYSA-N 1 0 452.515 -0.552 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001218850639 1069525524 /nfs/dbraw/zinc/52/55/24/1069525524.db2.gz NXVPSMHAOFCYOJ-PMACEKPBSA-N 1 0 456.499 -0.150 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)OCC(=O)N2)C(=O)CF ZINC001218850645 1069525611 /nfs/dbraw/zinc/52/56/11/1069525611.db2.gz OAHIJNJIHMOQJC-KLRAXDNASA-N 1 0 465.482 -0.143 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC001218856234 1069525668 /nfs/dbraw/zinc/52/56/68/1069525668.db2.gz JKRQVVQEDJMSIG-KSSFIOAISA-N 1 0 461.544 -0.147 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccccc1-c1nn[nH]n1)C(=O)CF ZINC001218856591 1069526254 /nfs/dbraw/zinc/52/62/54/1069526254.db2.gz QXOWXQVEERTHBZ-YLVFBTJISA-N 1 0 462.486 -0.293 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1ccccn1)S(=O)(=O)c1ccc(N)cc1 ZINC001218864563 1069526261 /nfs/dbraw/zinc/52/62/61/1069526261.db2.gz CQKIHHYXCYPFOW-YOEHRIQHSA-N 1 0 474.543 -0.160 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC001218868199 1069526194 /nfs/dbraw/zinc/52/61/94/1069526194.db2.gz ZPILRUOPSYLYKH-YJBOKZPZSA-N 1 0 467.530 -0.310 20 0 JBADRO COC(=O)Cc1ccc(O)c(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)c1 ZINC001218869468 1069526279 /nfs/dbraw/zinc/52/62/79/1069526279.db2.gz OROZGMISRUDKQH-LCMPSIMXSA-N 1 0 482.509 -0.052 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)CF ZINC001218872683 1069526239 /nfs/dbraw/zinc/52/62/39/1069526239.db2.gz BRGBBOLWBBCKMP-LFRPXUGBSA-N 1 0 492.552 -0.537 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001218873352 1069526098 /nfs/dbraw/zinc/52/60/98/1069526098.db2.gz IYTOFHDVBANYNJ-OALUTQOASA-N 1 0 458.563 -0.040 20 0 JBADRO COc1nccn(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874306 1069526136 /nfs/dbraw/zinc/52/61/36/1069526136.db2.gz AKULKQHWIMZDJN-HNNXBMFYSA-N 1 0 450.521 -0.107 20 0 JBADRO COc1nccn(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874812 1069526148 /nfs/dbraw/zinc/52/61/48/1069526148.db2.gz HCTYBLXKWFQQIN-HNNXBMFYSA-N 1 0 460.516 -0.481 20 0 JBADRO COc1nccn(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874814 1069526061 /nfs/dbraw/zinc/52/60/61/1069526061.db2.gz HCTYBLXKWFQQIN-OAHLLOKOSA-N 1 0 460.516 -0.481 20 0 JBADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1ccnc(OC)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875047 1069526172 /nfs/dbraw/zinc/52/61/72/1069526172.db2.gz KAAOURZDTSAPMG-LRDDRELGSA-N 1 0 450.521 -0.107 20 0 JBADRO COc1nccn(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875119 1069526121 /nfs/dbraw/zinc/52/61/21/1069526121.db2.gz LYFXSYGMALOOKE-AWEZNQCLSA-N 1 0 467.529 -0.820 20 0 JBADRO COc1nccn(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875120 1069526225 /nfs/dbraw/zinc/52/62/25/1069526225.db2.gz LYFXSYGMALOOKE-CQSZACIVSA-N 1 0 467.529 -0.820 20 0 JBADRO COc1nccn(C(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875298 1069526160 /nfs/dbraw/zinc/52/61/60/1069526160.db2.gz OVPUXFZBHWZXCS-KRWDZBQOSA-N 1 0 476.559 -0.144 20 0 JBADRO COc1nccn(C(=O)[C@H]2CN(C)CC3(CC[NH2+]CC3)O2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875299 1069526071 /nfs/dbraw/zinc/52/60/71/1069526071.db2.gz OVPUXFZBHWZXCS-QGZVFWFLSA-N 1 0 476.559 -0.144 20 0 JBADRO COc1nccn(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875307 1069526092 /nfs/dbraw/zinc/52/60/92/1069526092.db2.gz PCIVQGMBIHAMFG-UHFFFAOYSA-N 1 0 470.515 -0.348 20 0 JBADRO COc1nccn(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875502 1069526113 /nfs/dbraw/zinc/52/61/13/1069526113.db2.gz RLAJGNOESQFYSC-INIZCTEOSA-N 1 0 495.583 -0.182 20 0 JBADRO COc1nccn(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875503 1069526234 /nfs/dbraw/zinc/52/62/34/1069526234.db2.gz RLAJGNOESQFYSC-MRXNPFEDSA-N 1 0 495.583 -0.182 20 0 JBADRO COc1nccn(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875548 1069526182 /nfs/dbraw/zinc/52/61/82/1069526182.db2.gz SYFNRFSXZUVOCC-WFASDCNBSA-N 1 0 478.531 -0.286 20 0 JBADRO COc1nccn(C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875725 1069526672 /nfs/dbraw/zinc/52/66/72/1069526672.db2.gz YDGXXRSCVLAZOC-HNNXBMFYSA-N 1 0 450.521 -0.107 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cnc(N3CC[NH2+]CC3)cn2)cc1Cl ZINC001218876060 1069526732 /nfs/dbraw/zinc/52/67/32/1069526732.db2.gz CXTMRVLIQPQQLH-UHFFFAOYSA-N 1 0 475.940 -0.913 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1Cl ZINC001218876124 1069526662 /nfs/dbraw/zinc/52/66/62/1069526662.db2.gz FJVVJOIMVHPUJM-JSGCOSHPSA-N 1 0 476.964 -0.106 20 0 JBADRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218876134 1069526698 /nfs/dbraw/zinc/52/66/98/1069526698.db2.gz FMQGBTYKGPWVAH-JTQLQIEISA-N 1 0 470.957 -0.107 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2nc3c(s2)C[NH2+]CC3)cc1Cl ZINC001218876146 1069526741 /nfs/dbraw/zinc/52/67/41/1069526741.db2.gz FTWFITYELNBLBE-UHFFFAOYSA-N 1 0 451.939 -0.011 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CCCCN2[C@H]2CC[NH2+]C2)cc1Cl ZINC001218876345 1069526717 /nfs/dbraw/zinc/52/67/17/1069526717.db2.gz HDYDPFPJYDOAAW-GWCFXTLKSA-N 1 0 465.985 -0.210 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CCCCN2[C@H]2CC[NH2+]C2)cc1Cl ZINC001218876346 1069526761 /nfs/dbraw/zinc/52/67/61/1069526761.db2.gz HDYDPFPJYDOAAW-GXFFZTMASA-N 1 0 465.985 -0.210 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)cc1Cl ZINC001218876347 1069526714 /nfs/dbraw/zinc/52/67/14/1069526714.db2.gz HDYDPFPJYDOAAW-MFKMUULPSA-N 1 0 465.985 -0.210 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CCCCN2[C@@H]2CC[NH2+]C2)cc1Cl ZINC001218876349 1069526621 /nfs/dbraw/zinc/52/66/21/1069526621.db2.gz HDYDPFPJYDOAAW-ZWNOBZJWSA-N 1 0 465.985 -0.210 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2csc(N3CC[NH2+]CC3)n2)cc1Cl ZINC001218876413 1069526655 /nfs/dbraw/zinc/52/66/55/1069526655.db2.gz ICDMNGYCNWURMD-UHFFFAOYSA-N 1 0 480.981 -0.247 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1Cl ZINC001218876424 1069526784 /nfs/dbraw/zinc/52/67/84/1069526784.db2.gz IHPXXNWMCHPPCQ-JQWIXIFHSA-N 1 0 479.968 -0.684 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001218876490 1069526706 /nfs/dbraw/zinc/52/67/06/1069526706.db2.gz JQQBDLVUAMMEHR-GHMZBOCLSA-N 1 0 465.985 -0.353 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001218876495 1069526754 /nfs/dbraw/zinc/52/67/54/1069526754.db2.gz JQQBDLVUAMMEHR-MNOVXSKESA-N 1 0 465.985 -0.353 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC001218876496 1069526794 /nfs/dbraw/zinc/52/67/94/1069526794.db2.gz JQQBDLVUAMMEHR-QWRGUYRKSA-N 1 0 465.985 -0.353 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC001218876497 1069526684 /nfs/dbraw/zinc/52/66/84/1069526684.db2.gz JQQBDLVUAMMEHR-WDEREUQCSA-N 1 0 465.985 -0.353 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])cc1Cl ZINC001218876664 1069526690 /nfs/dbraw/zinc/52/66/90/1069526690.db2.gz KQWAVYSOONJLFN-ZDUSSCGKSA-N 1 0 489.963 -0.741 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cccnc2N2CC[NH2+]CC2)cc1Cl ZINC001218876725 1069526630 /nfs/dbraw/zinc/52/66/30/1069526630.db2.gz MDCQEROGHSFJKY-UHFFFAOYSA-N 1 0 474.952 -0.308 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC001218877027 1069527196 /nfs/dbraw/zinc/52/71/96/1069527196.db2.gz NRVVQQVTUAQJOT-LLVKDONJSA-N 1 0 465.985 -0.353 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C2CCN([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC001218877028 1069527121 /nfs/dbraw/zinc/52/71/21/1069527121.db2.gz NRVVQQVTUAQJOT-NSHDSACASA-N 1 0 465.985 -0.353 20 0 JBADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)cc1 ZINC001218877032 1069527098 /nfs/dbraw/zinc/52/70/98/1069527098.db2.gz NVNVXOJBQDAHNV-NSHDSACASA-N 1 0 475.936 -0.758 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)cc1Cl ZINC001218877164 1069527115 /nfs/dbraw/zinc/52/71/15/1069527115.db2.gz PXTAVJPJRKAQPZ-BXUZGUMPSA-N 1 0 499.958 -0.314 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)cc1Cl ZINC001218877170 1069527087 /nfs/dbraw/zinc/52/70/87/1069527087.db2.gz PXTAVJPJRKAQPZ-FZMZJTMJSA-N 1 0 499.958 -0.314 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)cc1Cl ZINC001218877173 1069527128 /nfs/dbraw/zinc/52/71/28/1069527128.db2.gz PXTAVJPJRKAQPZ-RISCZKNCSA-N 1 0 499.958 -0.314 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)cc1Cl ZINC001218877178 1069527338 /nfs/dbraw/zinc/52/73/38/1069527338.db2.gz PXTAVJPJRKAQPZ-SMDDNHRTSA-N 1 0 499.958 -0.314 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1Cl ZINC001218877504 1069527271 /nfs/dbraw/zinc/52/72/71/1069527271.db2.gz QXVDZBRMEOMCOV-LBPRGKRZSA-N 1 0 489.963 -0.741 20 0 JBADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877506 1069527151 /nfs/dbraw/zinc/52/71/51/1069527151.db2.gz QYHBRDWQBJKVPK-CPFSXVBKSA-N 1 0 455.946 -0.937 20 0 JBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877538 1069527314 /nfs/dbraw/zinc/52/73/14/1069527314.db2.gz RWQYSVDQDDOEEF-VIFPVBQESA-N 1 0 455.946 -0.937 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])C2CCC3(CC2)OCCO3)cc1Cl ZINC001218877548 1069527352 /nfs/dbraw/zinc/52/73/52/1069527352.db2.gz SBWFUKQLXVMSOR-AWEZNQCLSA-N 1 0 482.968 -0.166 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)cc1Cl ZINC001218877555 1069527205 /nfs/dbraw/zinc/52/72/05/1069527205.db2.gz SBWFUKQLXVMSOR-CQSZACIVSA-N 1 0 482.968 -0.166 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877590 1069527231 /nfs/dbraw/zinc/52/72/31/1069527231.db2.gz TVHVJOYUVUTLCY-JTQLQIEISA-N 1 0 455.946 -0.793 20 0 JBADRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877593 1069527293 /nfs/dbraw/zinc/52/72/93/1069527293.db2.gz UDIRIXLZAVDHBT-JTQLQIEISA-N 1 0 455.946 -0.937 20 0 JBADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218877645 1069527241 /nfs/dbraw/zinc/52/72/41/1069527241.db2.gz VIFKGQRMSSNUFP-WPRPVWTQSA-N 1 0 469.973 -0.549 20 0 JBADRO CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218877936 1069527105 /nfs/dbraw/zinc/52/71/05/1069527105.db2.gz WMQDWYAZJHMZLL-LLVKDONJSA-N 1 0 453.974 -0.354 20 0 JBADRO CC(C)(C)[N@@H+]1CCN[C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218877937 1069527173 /nfs/dbraw/zinc/52/71/73/1069527173.db2.gz WMQDWYAZJHMZLL-NSHDSACASA-N 1 0 453.974 -0.354 20 0 JBADRO CC(=O)NCCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878010 1069527381 /nfs/dbraw/zinc/52/73/81/1069527381.db2.gz YNDJSNFTWVJHBN-JTQLQIEISA-N 1 0 455.946 -0.793 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C2([NH3+])CCC3(CC2)OCCO3)cc1Cl ZINC001218878113 1069527164 /nfs/dbraw/zinc/52/71/64/1069527164.db2.gz ZNZOXSRBTOVIBT-UHFFFAOYSA-N 1 0 468.941 -0.412 20 0 JBADRO COc1ccc(N(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218878248 1069527778 /nfs/dbraw/zinc/52/77/78/1069527778.db2.gz LZYOQZXIMYEBRC-HNNXBMFYSA-N 1 0 460.516 -0.095 20 0 JBADRO COc1ccc(N(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218878250 1069527848 /nfs/dbraw/zinc/52/78/48/1069527848.db2.gz LZYOQZXIMYEBRC-OAHLLOKOSA-N 1 0 460.516 -0.095 20 0 JBADRO COc1nccn(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218878311 1069527881 /nfs/dbraw/zinc/52/78/81/1069527881.db2.gz SPAOUAFNLQONRL-INIZCTEOSA-N 1 0 484.542 -0.054 20 0 JBADRO COc1nccn(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218878313 1069527739 /nfs/dbraw/zinc/52/77/39/1069527739.db2.gz SPAOUAFNLQONRL-MRXNPFEDSA-N 1 0 484.542 -0.054 20 0 JBADRO COc1ccc(N(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218878412 1069527759 /nfs/dbraw/zinc/52/77/59/1069527759.db2.gz NQTVEHMEEDSHLK-AWEZNQCLSA-N 1 0 467.529 -0.434 20 0 JBADRO COc1ccc(N(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218878417 1069527855 /nfs/dbraw/zinc/52/78/55/1069527855.db2.gz NQTVEHMEEDSHLK-CQSZACIVSA-N 1 0 467.529 -0.434 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CC[C@@]3(C2)C[NH2+]CCO3)cc1Cl ZINC001218878623 1069527808 /nfs/dbraw/zinc/52/78/08/1069527808.db2.gz GHLCGNQWVKHMAT-BJOHPYRUSA-N 1 0 452.942 -0.268 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CC[C@]3(C2)C[NH2+]CCO3)cc1Cl ZINC001218878624 1069527751 /nfs/dbraw/zinc/52/77/51/1069527751.db2.gz GHLCGNQWVKHMAT-PSLIRLAXSA-N 1 0 452.942 -0.268 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CC[C@@]3(C2)C[NH2+]CCO3)cc1Cl ZINC001218878625 1069527836 /nfs/dbraw/zinc/52/78/36/1069527836.db2.gz GHLCGNQWVKHMAT-RFAUZJTJSA-N 1 0 452.942 -0.268 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CC[C@]3(C2)C[NH2+]CCO3)cc1Cl ZINC001218878626 1069527894 /nfs/dbraw/zinc/52/78/94/1069527894.db2.gz GHLCGNQWVKHMAT-VFZGTOFNSA-N 1 0 452.942 -0.268 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)cc1Cl ZINC001218878651 1069527889 /nfs/dbraw/zinc/52/78/89/1069527889.db2.gz GVKZWURDAUPTOH-SECBINFHSA-N 1 0 489.967 -0.884 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)cc1Cl ZINC001218878652 1069527844 /nfs/dbraw/zinc/52/78/44/1069527844.db2.gz GVKZWURDAUPTOH-VIFPVBQESA-N 1 0 489.967 -0.884 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)cc1Cl ZINC001218878675 1069527785 /nfs/dbraw/zinc/52/77/85/1069527785.db2.gz HWEBRNSFYXRDLZ-MGNBDDOMSA-N 1 0 499.958 -0.317 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)cc1Cl ZINC001218878676 1069527823 /nfs/dbraw/zinc/52/78/23/1069527823.db2.gz HWEBRNSFYXRDLZ-MLCYQJTMSA-N 1 0 499.958 -0.317 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)cc1Cl ZINC001218878677 1069527873 /nfs/dbraw/zinc/52/78/73/1069527873.db2.gz HWEBRNSFYXRDLZ-XTZNXHDOSA-N 1 0 499.958 -0.317 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)cc1Cl ZINC001218878678 1069527769 /nfs/dbraw/zinc/52/77/69/1069527769.db2.gz HWEBRNSFYXRDLZ-YPMLDQLKSA-N 1 0 499.958 -0.317 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@]23CCCO[C@@H]2CC[NH2+]C3)cc1Cl ZINC001218879129 1069528411 /nfs/dbraw/zinc/52/84/11/1069528411.db2.gz NYTKUIRUSXTGNE-UKRRQHHQSA-N 1 0 452.942 -0.268 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)cc1Cl ZINC001218879254 1069528275 /nfs/dbraw/zinc/52/82/75/1069528275.db2.gz OUOQRFRBPSTHKL-JTQLQIEISA-N 1 0 488.979 -0.279 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2Cn3ccnc3C23CC[NH2+]CC3)cc1Cl ZINC001218879255 1069528200 /nfs/dbraw/zinc/52/82/00/1069528200.db2.gz OUOQRFRBPSTHKL-SNVBAGLBSA-N 1 0 488.979 -0.279 20 0 JBADRO COc1ccc(N(C(=O)CN(CC[NH3+])S(C)(=O)=O)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218879467 1069528285 /nfs/dbraw/zinc/52/82/85/1069528285.db2.gz XHTNLRZRVIBPKU-UHFFFAOYSA-N 1 0 458.522 -0.990 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC001218879500 1069528372 /nfs/dbraw/zinc/52/83/72/1069528372.db2.gz TWZBJSVUTSPEFO-LNLATYFQSA-N 1 0 452.942 -0.412 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC001218879529 1069528192 /nfs/dbraw/zinc/52/81/92/1069528192.db2.gz UFAFNKCISJZLEX-LLVKDONJSA-N 1 0 452.942 -0.268 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC001218879532 1069528336 /nfs/dbraw/zinc/52/83/36/1069528336.db2.gz UFAFNKCISJZLEX-NSHDSACASA-N 1 0 452.942 -0.268 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cc1Cl ZINC001218879595 1069528205 /nfs/dbraw/zinc/52/82/05/1069528205.db2.gz VXIJGAGVSYQIGJ-PHDIDXHHSA-N 1 0 450.848 -0.029 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2COC3(C2)CC[NH2+]CC3)cc1Cl ZINC001218879812 1069528318 /nfs/dbraw/zinc/52/83/18/1069528318.db2.gz ZJHRWWOODXAEBO-SECBINFHSA-N 1 0 452.942 -0.268 20 0 JBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2COC3(C2)CC[NH2+]CC3)cc1Cl ZINC001218879814 1069528210 /nfs/dbraw/zinc/52/82/10/1069528210.db2.gz ZJHRWWOODXAEBO-VIFPVBQESA-N 1 0 452.942 -0.268 20 0 JBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218881666 1069528385 /nfs/dbraw/zinc/52/83/85/1069528385.db2.gz AAXXRTIQKZVAPW-KKUMJFAQSA-N 1 0 460.535 -0.796 20 0 JBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882220 1069529163 /nfs/dbraw/zinc/52/91/63/1069529163.db2.gz OWAWJAQYNALGJJ-SFTDATJTSA-N 1 0 498.584 -0.211 20 0 JBADRO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)c1 ZINC001218885106 1069529140 /nfs/dbraw/zinc/52/91/40/1069529140.db2.gz QWQRQOCDFHWRJI-GXTWGEPZSA-N 1 0 457.553 -0.238 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1ccc(Cl)nn1)S(=O)(=O)c1ccc(N)cc1)C(N)=O ZINC001218886345 1069528808 /nfs/dbraw/zinc/52/88/08/1069528808.db2.gz PXGNFLWXZLNNMG-GXFFZTMASA-N 1 0 483.938 -0.468 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ccc(Cl)nn1)S(=O)(=O)c1ccc(N)cc1 ZINC001218886519 1069529025 /nfs/dbraw/zinc/52/90/25/1069529025.db2.gz QITZUIYXXIQMMZ-CABZTGNLSA-N 1 0 469.911 -0.859 20 0 JBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N(c1ccc(Cl)nn1)S(=O)(=O)c1ccc(N)cc1 ZINC001218886701 1069528916 /nfs/dbraw/zinc/52/89/16/1069528916.db2.gz SYARABKXCYOKQO-UHFFFAOYSA-N 1 0 462.941 -0.346 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(c1cccc(N)c1)S(C)(=O)=O)C(=O)CF ZINC001218887599 1069529002 /nfs/dbraw/zinc/52/90/02/1069529002.db2.gz KMOQXVNNOZHPAR-QITLCBANSA-N 1 0 487.554 -0.537 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(c1cccc(N)c1)S(C)(=O)=O ZINC001218887986 1069529047 /nfs/dbraw/zinc/52/90/47/1069529047.db2.gz VYTXUOCGGLQWIG-IRXDYDNUSA-N 1 0 453.565 -0.040 20 0 JBADRO Cc1noc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])S(=O)(=O)c2ccc(N)cc2)c1C ZINC001218888380 1069529065 /nfs/dbraw/zinc/52/90/65/1069529065.db2.gz BZQWWQAWFHHISY-HZMBPMFUSA-N 1 0 452.493 -0.697 20 0 JBADRO CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001218893903 1069528976 /nfs/dbraw/zinc/52/89/76/1069528976.db2.gz HUOVKUPLQSJSKU-RDJZCZTQSA-N 1 0 450.517 -0.372 20 0 JBADRO Cc1cn(-c2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc(C(F)(F)F)c2)cn1 ZINC001218904786 1069528948 /nfs/dbraw/zinc/52/89/48/1069528948.db2.gz GUUNBZZMYFZAPQ-UHFFFAOYSA-N 1 0 469.424 -0.555 20 0 JBADRO CCOC(=O)c1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c(OC(F)(F)F)c1 ZINC001218907040 1069529086 /nfs/dbraw/zinc/52/90/86/1069529086.db2.gz JCNDGPFADICOKG-UHFFFAOYSA-N 1 0 477.396 -0.992 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC001218912492 1069528779 /nfs/dbraw/zinc/52/87/79/1069528779.db2.gz HPBXDMALUGULSW-KSSFIOAISA-N 1 0 499.553 -0.116 20 0 JBADRO Cc1ccc(C(N)=O)cc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218912832 1069528832 /nfs/dbraw/zinc/52/88/32/1069528832.db2.gz FSCDLTMBNIXZCY-QITLCBANSA-N 1 0 451.499 -0.066 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218914538 1069529109 /nfs/dbraw/zinc/52/91/09/1069529109.db2.gz YFRFRKUVQRHYQX-ZLIFDBKOSA-N 1 0 468.580 -0.276 20 0 JBADRO COc1cc(N(C(=O)/C=C/C(=O)NCC[NH3+])S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218919382 1069529556 /nfs/dbraw/zinc/52/95/56/1069529556.db2.gz ODZBKOGATHNQAI-BQYQJAHWSA-N 1 0 450.477 -0.571 20 0 JBADRO COc1cc(N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218919913 1069529581 /nfs/dbraw/zinc/52/95/81/1069529581.db2.gz AFUIOULUKZSFAA-AWEZNQCLSA-N 1 0 464.504 -0.334 20 0 JBADRO COc1cc(N(C(=O)C[C@@H]([NH3+])CCC(N)=O)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218919988 1069529481 /nfs/dbraw/zinc/52/94/81/1069529481.db2.gz DDBWMMQUSANTIG-LBPRGKRZSA-N 1 0 452.493 -0.219 20 0 JBADRO COc1cc(N(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920099 1069529613 /nfs/dbraw/zinc/52/96/13/1069529613.db2.gz UKSDYDHCQUFKIG-INIZCTEOSA-N 1 0 462.488 -0.724 20 0 JBADRO COc1cc(N(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920108 1069529365 /nfs/dbraw/zinc/52/93/65/1069529365.db2.gz UKSDYDHCQUFKIG-MRXNPFEDSA-N 1 0 462.488 -0.724 20 0 JBADRO COc1cc(N(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920209 1069529667 /nfs/dbraw/zinc/52/96/67/1069529667.db2.gz VWXVIIOSVAGDOM-HNNXBMFYSA-N 1 0 490.542 -0.086 20 0 JBADRO COc1cc(N(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920213 1069529594 /nfs/dbraw/zinc/52/95/94/1069529594.db2.gz VWXVIIOSVAGDOM-OAHLLOKOSA-N 1 0 490.542 -0.086 20 0 JBADRO COc1cc(N(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920257 1069529409 /nfs/dbraw/zinc/52/94/09/1069529409.db2.gz IAJXSURSWDGWGG-QWRGUYRKSA-N 1 0 452.493 -0.350 20 0 JBADRO COc1cc(N(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920883 1069529657 /nfs/dbraw/zinc/52/96/57/1069529657.db2.gz OCVJCWSVJCGRGJ-AWEZNQCLSA-N 1 0 464.504 -0.252 20 0 JBADRO CCOC(=O)C1(C(=O)N(c2cc(OC)nc(OC)n2)S(=O)(=O)c2ccc(N)cc2)C[NH2+]C1 ZINC001218920984 1069529643 /nfs/dbraw/zinc/52/96/43/1069529643.db2.gz PTSNFMYHAQJEME-UHFFFAOYSA-N 1 0 465.488 -0.049 20 0 JBADRO COc1cc(N(C(=O)[C@@H](N)CSCC[NH3+])S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218921239 1069529979 /nfs/dbraw/zinc/52/99/79/1069529979.db2.gz VHFQGSFCFRHBMZ-ZDUSSCGKSA-N 1 0 456.550 -0.183 20 0 JBADRO COc1cc(N(C(=O)[C@@H]2C[NH2+]C[C@@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218921265 1069529945 /nfs/dbraw/zinc/52/99/45/1069529945.db2.gz VMJLLMSUBALGEC-CABCVRRESA-N 1 0 465.488 -0.051 20 0 JBADRO COc1cc(N(C(=O)[C@H]2C[NH2+]C[C@@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218921277 1069530040 /nfs/dbraw/zinc/53/00/40/1069530040.db2.gz VMJLLMSUBALGEC-GJZGRUSLSA-N 1 0 465.488 -0.051 20 0 JBADRO COc1cc(N(C(=O)[C@@H]2C[NH2+]C[C@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218921279 1069530233 /nfs/dbraw/zinc/53/02/33/1069530233.db2.gz VMJLLMSUBALGEC-HUUCEWRRSA-N 1 0 465.488 -0.051 20 0 JBADRO COc1cc(N(C(=O)[C@H]2C[NH2+]C[C@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218921281 1069529963 /nfs/dbraw/zinc/52/99/63/1069529963.db2.gz VMJLLMSUBALGEC-LSDHHAIUSA-N 1 0 465.488 -0.051 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc2c1[C@@H]1Cc3ccccc3CN1CC2 ZINC001218930065 1069530585 /nfs/dbraw/zinc/53/05/85/1069530585.db2.gz HSPXDSSMQXDWSN-FQEVSTJZSA-N 1 0 478.553 -0.412 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc2c1[C@H]1Cc3ccccc3CN1CC2 ZINC001218930068 1069530528 /nfs/dbraw/zinc/53/05/28/1069530528.db2.gz HSPXDSSMQXDWSN-HXUWFJFHSA-N 1 0 478.553 -0.412 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)CCNC2=O)C(=O)CF ZINC001218934457 1069530762 /nfs/dbraw/zinc/53/07/62/1069530762.db2.gz FFICJEYDFYPKLE-UVIMBBFXSA-N 1 0 463.510 -0.188 20 0 JBADRO COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001218934667 1069530603 /nfs/dbraw/zinc/53/06/03/1069530603.db2.gz LZTPRTROYKCEFN-IRXDYDNUSA-N 1 0 459.455 -0.049 20 0 JBADRO COC(=O)c1ccc(I)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1 ZINC001218940107 1069530733 /nfs/dbraw/zinc/53/07/33/1069530733.db2.gz XIHKKJZMLJQUFC-CPCISQLKSA-N 1 0 462.244 -0.276 20 0 JBADRO COC(=O)c1cc(OC(F)(F)F)cc(Cl)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218947803 1069530830 /nfs/dbraw/zinc/53/08/30/1069530830.db2.gz NZFNECOFHKAEQE-UHFFFAOYSA-N 1 0 497.814 -0.729 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1nccs1)S(=O)(=O)c1ccc(N)cc1 ZINC001218951165 1069530684 /nfs/dbraw/zinc/53/06/84/1069530684.db2.gz UAAUARYEDDISRX-WFASDCNBSA-N 1 0 480.572 -0.098 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1nccs1)S(=O)(=O)c1ccc(N)cc1)C(N)=O ZINC001218951448 1069530475 /nfs/dbraw/zinc/53/04/75/1069530475.db2.gz YBCHCBMUFXCZGW-GXFFZTMASA-N 1 0 454.534 -0.455 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cccc(CC(N)=O)c1)C(=O)CF ZINC001218955852 1069530777 /nfs/dbraw/zinc/53/07/77/1069530777.db2.gz ZIZRWWMOYQYNBM-ODYMNIRHSA-N 1 0 451.499 -0.446 20 0 JBADRO COc1ncnc(N(C(=O)/C=C/C(=O)NCC[NH3+])S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218961789 1069530811 /nfs/dbraw/zinc/53/08/11/1069530811.db2.gz CFFONJOWFBDYMU-BQYQJAHWSA-N 1 0 450.477 -0.571 20 0 JBADRO COc1ncnc(N(C(=O)[C@@H]2C[NH2+]C[C@@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218961860 1069531307 /nfs/dbraw/zinc/53/13/07/1069531307.db2.gz DXXCLNKHJAJBPF-CABCVRRESA-N 1 0 465.488 -0.051 20 0 JBADRO COc1ncnc(N(C(=O)[C@H]2C[NH2+]C[C@@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218961862 1069531194 /nfs/dbraw/zinc/53/11/94/1069531194.db2.gz DXXCLNKHJAJBPF-GJZGRUSLSA-N 1 0 465.488 -0.051 20 0 JBADRO COc1ncnc(N(C(=O)[C@@H]2C[NH2+]C[C@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218961863 1069531254 /nfs/dbraw/zinc/53/12/54/1069531254.db2.gz DXXCLNKHJAJBPF-HUUCEWRRSA-N 1 0 465.488 -0.051 20 0 JBADRO COc1ncnc(N(C(=O)[C@H]2C[NH2+]C[C@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218961865 1069531167 /nfs/dbraw/zinc/53/11/67/1069531167.db2.gz DXXCLNKHJAJBPF-LSDHHAIUSA-N 1 0 465.488 -0.051 20 0 JBADRO COc1ncnc(N(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962224 1069531228 /nfs/dbraw/zinc/53/12/28/1069531228.db2.gz FPQLXYHSOGYQGH-HNNXBMFYSA-N 1 0 462.488 -0.724 20 0 JBADRO COc1ncnc(N(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962225 1069531316 /nfs/dbraw/zinc/53/13/16/1069531316.db2.gz FPQLXYHSOGYQGH-OAHLLOKOSA-N 1 0 462.488 -0.724 20 0 JBADRO COc1ncnc(N(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962287 1069531298 /nfs/dbraw/zinc/53/12/98/1069531298.db2.gz HWQDBTFOZOYKBK-HNNXBMFYSA-N 1 0 490.542 -0.086 20 0 JBADRO COc1ncnc(N(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962288 1069531247 /nfs/dbraw/zinc/53/12/47/1069531247.db2.gz HWQDBTFOZOYKBK-OAHLLOKOSA-N 1 0 490.542 -0.086 20 0 JBADRO COc1ncnc(N(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962702 1069531285 /nfs/dbraw/zinc/53/12/85/1069531285.db2.gz LRHPGEFOUYBMJO-QWRGUYRKSA-N 1 0 452.493 -0.350 20 0 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LNOBLCRPUMJCDZ-IMBTUZDBSA-N 1 0 456.551 -0.051 20 0 JBADRO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N[C@H]4CC[C@@H]5[NH2+]CCO[C@@H]45)cn32)C1 ZINC001219850019 1069542579 /nfs/dbraw/zinc/54/25/79/1069542579.db2.gz LNOBLCRPUMJCDZ-LSTDLKDCSA-N 1 0 456.551 -0.051 20 0 JBADRO CCN1CCN(C(=O)N[C@@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ccccc2)C(=O)C1=O ZINC001219851814 1069542743 /nfs/dbraw/zinc/54/27/43/1069542743.db2.gz GHGYJJPZOYIPJC-INDMIFKZSA-N 1 0 457.531 -0.131 20 0 JBADRO CN(C)C(=O)CN1Cc2c(C(=O)N[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)ncn2-c2ccccc2S1(=O)=O ZINC001219856184 1069542564 /nfs/dbraw/zinc/54/25/64/1069542564.db2.gz BIAKIVDZDMJJRC-JKIFEVAISA-N 1 0 474.543 -0.819 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)C(=O)CF ZINC001219865195 1069542635 /nfs/dbraw/zinc/54/26/35/1069542635.db2.gz FMXHWYIJFCVBJL-ILYSMZKRSA-N 1 0 450.511 -0.338 20 0 JBADRO Cn1cc(Br)cc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c1=O ZINC001219883872 1069542763 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Cc1cccc(Cn2c3c(ccc2=O)C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC3)n1 ZINC001219887437 1069542478 /nfs/dbraw/zinc/54/24/78/1069542478.db2.gz CSTQAGBIGYCWOD-ZVZYQTTQSA-N 1 0 454.531 -0.719 20 0 JBADRO Cc1cccc(Cn2c3c(ccc2=O)C[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC3)n1 ZINC001219888360 1069542721 /nfs/dbraw/zinc/54/27/21/1069542721.db2.gz OOSWKTBMQPUOEN-KVSKMBFKSA-N 1 0 468.558 -0.329 20 0 JBADRO Cc1cccc(Cn2c3c(ccc2=O)C[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC3)n1 ZINC001219888361 1069543309 /nfs/dbraw/zinc/54/33/09/1069543309.db2.gz OOSWKTBMQPUOEN-VDZJLULYSA-N 1 0 468.558 -0.329 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1OCCc2cn(C)nc21 ZINC001219888686 1069543099 /nfs/dbraw/zinc/54/30/99/1069543099.db2.gz RQBMXUMIMHWEBQ-ZJOUEHCJSA-N 1 0 470.574 -0.023 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1OCCc2cn(C)nc21 ZINC001219888687 1069543252 /nfs/dbraw/zinc/54/32/52/1069543252.db2.gz RQBMXUMIMHWEBQ-ZVDOUQERSA-N 1 0 470.574 -0.023 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1)C(=O)CF ZINC001219891208 1069543073 /nfs/dbraw/zinc/54/30/73/1069543073.db2.gz PPLFETZHGVWHPB-DXJCSPRDSA-N 1 0 465.526 -0.338 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1)C(=O)CF ZINC001219891209 1069543326 /nfs/dbraw/zinc/54/33/26/1069543326.db2.gz PPLFETZHGVWHPB-OZONBXFNSA-N 1 0 465.526 -0.338 20 0 JBADRO O=C(N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219894235 1069543345 /nfs/dbraw/zinc/54/33/45/1069543345.db2.gz XOELSFYIYCAQPJ-MSOLQXFVSA-N 1 0 463.546 -0.344 20 0 JBADRO O=C(N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219894236 1069543389 /nfs/dbraw/zinc/54/33/89/1069543389.db2.gz XOELSFYIYCAQPJ-QZTJIDSGSA-N 1 0 463.546 -0.344 20 0 JBADRO O=C(N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219894237 1069543164 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ZINC001219895787 1069543209 /nfs/dbraw/zinc/54/32/09/1069543209.db2.gz HSCMTBDORIWVRC-ROUUACIJSA-N 1 0 458.563 -0.023 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1CCC2(CCC(=O)N2C)CC1)C(=O)CF ZINC001219896447 1069543369 /nfs/dbraw/zinc/54/33/69/1069543369.db2.gz VIYLJFVXNOUVLQ-JTEUAKFJSA-N 1 0 483.585 -0.062 20 0 JBADRO COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001219899081 1069543383 /nfs/dbraw/zinc/54/33/83/1069543383.db2.gz RNVLHAGPYARPEY-AABGKKOBSA-N 1 0 489.617 -0.133 20 0 JBADRO COCCn1c(=O)ccc2c1CC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001219899082 1069543286 /nfs/dbraw/zinc/54/32/86/1069543286.db2.gz RNVLHAGPYARPEY-UFYCRDLUSA-N 1 0 489.617 -0.133 20 0 JBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1 ZINC001219901326 1069543269 /nfs/dbraw/zinc/54/32/69/1069543269.db2.gz HPVPSBIXMQDAEC-AABGKKOBSA-N 1 0 498.515 -0.148 20 0 JBADRO 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CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220391292 1069555383 /nfs/dbraw/zinc/55/53/83/1069555383.db2.gz DGJCTZTUQCMKDB-WDSOQIARSA-N 1 0 475.594 -0.202 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220391606 1069555284 /nfs/dbraw/zinc/55/52/84/1069555284.db2.gz MGRLLTHLNOIZSA-ROUUACIJSA-N 1 0 461.567 -0.672 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220391951 1069555242 /nfs/dbraw/zinc/55/52/42/1069555242.db2.gz SCDBPINIJCGOQC-REWPJTCUSA-N 1 0 497.600 -0.244 20 0 JBADRO COc1ccc(CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)nc1 ZINC001220396887 1069555356 /nfs/dbraw/zinc/55/53/56/1069555356.db2.gz PTBKHCDCIBMZEP-AXHNFQJDSA-N 1 0 453.515 -0.350 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1ncc(Br)[nH]c1=O ZINC001220398803 1069555441 /nfs/dbraw/zinc/55/54/41/1069555441.db2.gz NFVRJJLJDZROQZ-QWRGUYRKSA-N 1 0 457.329 -0.130 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ncc(Br)[nH]c1=O)C(=O)CF ZINC001220398949 1069556128 /nfs/dbraw/zinc/55/61/28/1069556128.db2.gz UDLYJQKBGJIAML-RVBZMBCESA-N 1 0 491.318 -0.628 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1c2ccccc2CNC1=O)C(=O)CF ZINC001220402982 1069556113 /nfs/dbraw/zinc/55/61/13/1069556113.db2.gz GMMMHKZYCQQCFC-IHUDTTQWSA-N 1 0 463.510 -0.625 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1c2ccccc2CNC1=O)C(=O)CF ZINC001220402983 1069556015 /nfs/dbraw/zinc/55/60/15/1069556015.db2.gz GMMMHKZYCQQCFC-RMBDZISWSA-N 1 0 463.510 -0.625 20 0 JBADRO CCOC(=O)c1cccc(CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)n1 ZINC001220403625 1069556065 /nfs/dbraw/zinc/55/60/65/1069556065.db2.gz YAKLFDNXHUDBJO-AXHNFQJDSA-N 1 0 481.525 -0.224 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H](CO)Cc1ccccc1)C(=O)CF ZINC001220406002 1069556137 /nfs/dbraw/zinc/55/61/37/1069556137.db2.gz ILVNSBZLLSSQKL-DBSRCYSRSA-N 1 0 466.554 -0.145 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H](CO)Cc1ccccc1)C(=O)CF ZINC001220406003 1069555995 /nfs/dbraw/zinc/55/59/95/1069555995.db2.gz ILVNSBZLLSSQKL-DKXUYOFUSA-N 1 0 466.554 -0.145 20 0 JBADRO Cn1c(=O)cc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)n(-c2ccccc2)c1=O ZINC001220415184 1069555915 /nfs/dbraw/zinc/55/59/15/1069555915.db2.gz ACFQSKDEWIMFQB-ROUUACIJSA-N 1 0 467.482 -0.773 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1cc(=O)n(C)c(=O)n1-c1ccccc1 ZINC001220415239 1069556091 /nfs/dbraw/zinc/55/60/91/1069556091.db2.gz BZCYXELADFONLC-ROUUACIJSA-N 1 0 484.557 -0.126 20 0 JBADRO CCCn1c(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)cc(=O)n(CCC)c1=O ZINC001220424949 1069555934 /nfs/dbraw/zinc/55/59/34/1069555934.db2.gz ZMCISHCIBNDFEW-IRXDYDNUSA-N 1 0 461.519 -0.479 20 0 JBADRO CC(=O)OCC1=C(C(=O)NC[C@H]2COCC[NH2+]2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001220428685 1069555975 /nfs/dbraw/zinc/55/59/75/1069555975.db2.gz CJVNIRFLMJTTCM-AVBTWRTFSA-N 1 0 494.595 -0.388 20 0 JBADRO CC(=O)OCC1=C(C(=O)NC[C@@H]2COCC[NH2+]2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001220428686 1069555826 /nfs/dbraw/zinc/55/58/26/1069555826.db2.gz CJVNIRFLMJTTCM-SOIKWTOOSA-N 1 0 494.595 -0.388 20 0 JBADRO CN(C)C(=O)CN1Cc2c(C(=O)NC[C@H]3COCC[NH2+]3)ncn2-c2ccccc2S1(=O)=O ZINC001220431413 1069555955 /nfs/dbraw/zinc/55/59/55/1069555955.db2.gz GGVVAXCGLLASCN-AWEZNQCLSA-N 1 0 462.532 -0.817 20 0 JBADRO CN(C)C(=O)CN1Cc2c(C(=O)NC[C@@H]3COCC[NH2+]3)ncn2-c2ccccc2S1(=O)=O ZINC001220431414 1069556032 /nfs/dbraw/zinc/55/60/32/1069556032.db2.gz GGVVAXCGLLASCN-CQSZACIVSA-N 1 0 462.532 -0.817 20 0 JBADRO C[NH2+][C@@H](CO)C(=O)N[C@H]1C[C@@H](N2Cc3cn(S(C)(=O)=O)nc3C2)CO[C@@H]1c1cc(F)ccc1F ZINC001220433579 1069555856 /nfs/dbraw/zinc/55/58/56/1069555856.db2.gz CKWSVZZKMPGHQZ-PEFDPPPMSA-N 1 0 499.540 -0.120 20 0 JBADRO CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)[C@@H](N)CC[NH3+])C1)C2 ZINC001220433591 1069556079 /nfs/dbraw/zinc/55/60/79/1069556079.db2.gz COGUMUMXGVXCKD-QBMUGXQSSA-N 1 0 498.556 -0.024 20 0 JBADRO CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)[C@@H](O)C[NH3+])C1)C2 ZINC001220433657 1069556100 /nfs/dbraw/zinc/55/61/00/1069556100.db2.gz DFQWSOGOCDPTNF-SKSLQVBQSA-N 1 0 485.513 -0.381 20 0 JBADRO O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220433718 1069556040 /nfs/dbraw/zinc/55/60/40/1069556040.db2.gz GTJKMUTVGDNWFH-GOSISDBHSA-N 1 0 460.560 -0.134 20 0 JBADRO O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220433719 1069555903 /nfs/dbraw/zinc/55/59/03/1069555903.db2.gz GTJKMUTVGDNWFH-SFHVURJKSA-N 1 0 460.560 -0.134 20 0 JBADRO O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220433745 1069555883 /nfs/dbraw/zinc/55/58/83/1069555883.db2.gz HOEHCGGIWQJMMF-GOSISDBHSA-N 1 0 471.601 -0.262 20 0 JBADRO O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220433746 1069556404 /nfs/dbraw/zinc/55/64/04/1069556404.db2.gz HOEHCGGIWQJMMF-SFHVURJKSA-N 1 0 471.601 -0.262 20 0 JBADRO CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)CNCC[NH3+])C1)C2 ZINC001220433901 1069556474 /nfs/dbraw/zinc/55/64/74/1069556474.db2.gz NGWGEWGSWBDETD-FYINFDKHSA-N 1 0 498.556 -0.152 20 0 JBADRO CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)[C@@H](N)C[NH3+])C1)C2 ZINC001220433959 1069556612 /nfs/dbraw/zinc/55/66/12/1069556612.db2.gz PHERNRWUBHBCRT-JYYRGQEPSA-N 1 0 484.529 -0.414 20 0 JBADRO O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220433979 1069556745 /nfs/dbraw/zinc/55/67/45/1069556745.db2.gz QCRAZBGLSGOUEK-KRWDZBQOSA-N 1 0 461.548 -0.739 20 0 JBADRO O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220433980 1069556697 /nfs/dbraw/zinc/55/66/97/1069556697.db2.gz QCRAZBGLSGOUEK-QGZVFWFLSA-N 1 0 461.548 -0.739 20 0 JBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)COC1(C)C ZINC001220434092 1069556419 /nfs/dbraw/zinc/55/64/19/1069556419.db2.gz UTFVWRBRMPLEBM-YOEHRIQHSA-N 1 0 454.549 -0.366 20 0 JBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220434205 1069556447 /nfs/dbraw/zinc/55/64/47/1069556447.db2.gz YWJCJMDEFNAKFG-SFHVURJKSA-N 1 0 476.559 -0.349 20 0 JBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220435184 1069556703 /nfs/dbraw/zinc/55/67/03/1069556703.db2.gz BKRMGLRWLXBDDY-KRWDZBQOSA-N 1 0 456.565 -0.418 20 0 JBADRO CSc1nc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)cc(=O)n1C ZINC001220435276 1069556563 /nfs/dbraw/zinc/55/65/63/1069556563.db2.gz GADYHOBDFJOIMV-MMPTUQATSA-N 1 0 472.543 -0.658 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCN=C1CN(Cc1ccccc1)c1ccccc1 ZINC001220443734 1069556721 /nfs/dbraw/zinc/55/67/21/1069556721.db2.gz UOPPBXKYSQWNIY-UHFFFAOYSA-N 1 0 493.568 -0.759 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC001220453278 1069556502 /nfs/dbraw/zinc/55/65/02/1069556502.db2.gz AMHJEWHSDGOBFW-VJANTYMQSA-N 1 0 467.611 -0.145 20 0 JBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC001220453996 1069556383 /nfs/dbraw/zinc/55/63/83/1069556383.db2.gz ODOQLZAHRQTCDC-LNLFQRSKSA-N 1 0 453.584 -0.615 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC001220454338 1069556670 /nfs/dbraw/zinc/55/66/70/1069556670.db2.gz UIHYHMXZLPRAFF-BVSLBCMMSA-N 1 0 489.617 -0.187 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccnc(-c2cnn(C)c2)c1)C(=O)CF ZINC001220454430 1069556712 /nfs/dbraw/zinc/55/67/12/1069556712.db2.gz VJDPZIBZEPDQLP-XQAUZQBESA-N 1 0 489.552 0.000 20 0 JBADRO COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220456330 1069556655 /nfs/dbraw/zinc/55/66/55/1069556655.db2.gz KOPFKYQUVBWGGV-UFYCRDLUSA-N 1 0 459.499 -0.386 20 0 JBADRO COCCOc1ccc(CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)cn1 ZINC001220458241 1069556532 /nfs/dbraw/zinc/55/65/32/1069556532.db2.gz KZKYYCWZDKVGOX-UVFQYZLESA-N 1 0 483.541 -0.376 20 0 JBADRO CC(C)NC(=O)[C@@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C(C)C ZINC001220462791 1069557053 /nfs/dbraw/zinc/55/70/53/1069557053.db2.gz OTAMDZZTAKFHPV-USJZOSNVSA-N 1 0 459.563 -0.447 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC(=O)Cc1ccccc1)C(=O)CF ZINC001220462918 1069557137 /nfs/dbraw/zinc/55/71/37/1069557137.db2.gz UEOQWERODIJXGQ-VHFSOBRXSA-N 1 0 450.511 -0.184 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(CC[NH3+])c1cccc2c1cccc2S(=O)(=O)[O-])C(N)=O ZINC001220464332 1069557018 /nfs/dbraw/zinc/55/70/18/1069557018.db2.gz IGKGYCFXWIUOHR-SWLSCSKDSA-N 1 0 465.532 -0.524 20 0 JBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(CC[NH3+])c1cccc2c1cccc2S(=O)(=O)[O-] ZINC001220464437 1069557086 /nfs/dbraw/zinc/55/70/86/1069557086.db2.gz LHRUBLZJBPAXAB-KSSFIOAISA-N 1 0 491.570 -0.167 20 0 JBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH3+])c1cccc2c1cccc2S(=O)(=O)[O-] ZINC001220464882 1069557126 /nfs/dbraw/zinc/55/71/26/1069557126.db2.gz VNDAFEJKUUITJW-FZMZJTMJSA-N 1 0 451.505 -0.914 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)OC(C)(C)C ZINC001220479734 1069557457 /nfs/dbraw/zinc/55/74/57/1069557457.db2.gz WCHAKRJJOSDKPT-LNLFQRSKSA-N 1 0 464.563 -0.368 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001220487508 1069557389 /nfs/dbraw/zinc/55/73/89/1069557389.db2.gz USDQUYYMRUVMMS-FQEVSTJZSA-N 1 0 451.911 -0.898 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001220487509 1069557497 /nfs/dbraw/zinc/55/74/97/1069557497.db2.gz USDQUYYMRUVMMS-HXUWFJFHSA-N 1 0 451.911 -0.898 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1nc2ccccc2n1Cc1ccccc1 ZINC001220512338 1069560736 /nfs/dbraw/zinc/56/07/36/1069560736.db2.gz MBCRLMHICYLMKG-UHFFFAOYSA-N 1 0 465.514 -0.992 20 0 JBADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@H]1O ZINC001220514244 1069560584 /nfs/dbraw/zinc/56/05/84/1069560584.db2.gz BXCWGVRPVUOIBL-FNQTVZJVSA-N 1 0 453.503 -0.658 20 0 JBADRO C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001220514267 1069560731 /nfs/dbraw/zinc/56/07/31/1069560731.db2.gz CMYMEVCWTGTTOH-FNQTVZJVSA-N 1 0 455.519 -0.542 20 0 JBADRO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2CCC3(C2)CC[NH2+]CC3)[C@H]1O ZINC001220514292 1069561218 /nfs/dbraw/zinc/56/12/18/1069561218.db2.gz DXUVQTHXYYBGDC-YXDKPKCJSA-N 1 0 459.551 -0.202 20 0 JBADRO 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JBADRO O=C(NCCOCCN1C(=O)C=CC1=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001220878816 1069573564 /nfs/dbraw/zinc/57/35/64/1069573564.db2.gz RWMVXIGOBQHABL-UHFFFAOYSA-N 1 0 450.517 -0.612 20 0 JBADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878904 1069573463 /nfs/dbraw/zinc/57/34/63/1069573463.db2.gz WAQFPSYFVLVVPP-OALUTQOASA-N 1 0 460.531 -0.149 20 0 JBADRO COC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)c1ccccn1 ZINC001220900252 1069574086 /nfs/dbraw/zinc/57/40/86/1069574086.db2.gz FQCWAMOUXMXAPC-PEMDQYIBSA-N 1 0 481.525 -0.297 20 0 JBADRO COC(=O)C[C@@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)c1ccccn1 ZINC001220900253 1069574354 /nfs/dbraw/zinc/57/43/54/1069574354.db2.gz FQCWAMOUXMXAPC-YEOLMYPVSA-N 1 0 481.525 -0.297 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCN(Cc2cccnc2)C1)C(=O)CF ZINC001220914777 1069574241 /nfs/dbraw/zinc/57/42/41/1069574241.db2.gz 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JBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCCc2nccnc21)C(=O)CF ZINC001220950624 1069575134 /nfs/dbraw/zinc/57/51/34/1069575134.db2.gz AJTWLMFZYDOJAI-OWCBBSPXSA-N 1 0 450.515 -0.128 20 0 JBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc(Br)c(C(F)(F)F)c1 ZINC001220952764 1069574927 /nfs/dbraw/zinc/57/49/27/1069574927.db2.gz CGIYIGFDVODQTM-UHFFFAOYSA-N 1 0 482.257 -0.609 20 0 JBADRO COc1ccc(CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)nc1OC ZINC001220955472 1069575107 /nfs/dbraw/zinc/57/51/07/1069575107.db2.gz JTLXDCYRSAXDOS-YEWDVWPNSA-N 1 0 469.514 -0.384 20 0 JBADRO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001220959886 1069575190 /nfs/dbraw/zinc/57/51/90/1069575190.db2.gz BHEHFESGDWEVCM-JKBKZWBZSA-N 1 0 476.574 -0.102 20 0 JBADRO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001220959960 1069574793 /nfs/dbraw/zinc/57/47/93/1069574793.db2.gz 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ZINC001251362939 1069676458 /nfs/dbraw/zinc/67/64/58/1069676458.db2.gz PPQGPMTYJIVDEN-BSRJHKFKSA-N 1 0 464.563 -0.088 20 0 JBADRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001251362941 1069676736 /nfs/dbraw/zinc/67/67/36/1069676736.db2.gz PPQGPMTYJIVDEN-IUKKYPGJSA-N 1 0 464.563 -0.088 20 0 JBADRO CN1CCC([NH+]2CCC(NC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)CC1 ZINC001251394683 1069676355 /nfs/dbraw/zinc/67/63/55/1069676355.db2.gz AQNVVOLITJBXLG-UHFFFAOYSA-N 1 0 451.549 -0.083 20 0 JBADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+][C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001251479475 1069678078 /nfs/dbraw/zinc/67/80/78/1069678078.db2.gz JLWVKAWFFAUKCR-CKJXQJPGSA-N 1 0 450.540 -0.241 20 0 JBADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+][C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001251479481 1069677998 /nfs/dbraw/zinc/67/79/98/1069677998.db2.gz JLWVKAWFFAUKCR-QYWGDWMGSA-N 1 0 450.540 -0.241 20 0 JBADRO COC(=O)[C@H](CCCC[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)CNC(C)=O ZINC001251480677 1069678120 /nfs/dbraw/zinc/67/81/20/1069678120.db2.gz SXNOGBOSIYSYHK-HRAATJIYSA-N 1 0 458.556 -0.088 20 0 JBADRO COC(=O)[C@H](CCCC[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)CNC(C)=O ZINC001251480678 1069678150 /nfs/dbraw/zinc/67/81/50/1069678150.db2.gz SXNOGBOSIYSYHK-KKSFZXQISA-N 1 0 458.556 -0.088 20 0 JBADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001251480794 1069678109 /nfs/dbraw/zinc/67/81/09/1069678109.db2.gz WLIXMEMTCQOBFV-HOIFWPIMSA-N 1 0 450.536 -0.478 20 0 JBADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001251480809 1069678163 /nfs/dbraw/zinc/67/81/63/1069678163.db2.gz WLIXMEMTCQOBFV-PNLZDCPESA-N 1 0 450.536 -0.478 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001251536146 1069678865 /nfs/dbraw/zinc/67/88/65/1069678865.db2.gz WPNSVDGXQKJUJA-ZWKOTPCHSA-N 1 0 480.562 -0.132 20 0 JBADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001251541653 1069678966 /nfs/dbraw/zinc/67/89/66/1069678966.db2.gz CFPVKYJNVDGSRY-GBESFXJTSA-N 1 0 491.589 -0.335 20 0 JBADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC001251577881 1069679001 /nfs/dbraw/zinc/67/90/01/1069679001.db2.gz YKRHQXXWYOCAJL-IBGZPJMESA-N 1 0 451.593 -0.073 20 0 JBADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC001251577882 1069678884 /nfs/dbraw/zinc/67/88/84/1069678884.db2.gz YKRHQXXWYOCAJL-LJQANCHMSA-N 1 0 451.593 -0.073 20 0 JBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001251657011 1069678987 /nfs/dbraw/zinc/67/89/87/1069678987.db2.gz YCSKPNDPTBIPSZ-KRWDZBQOSA-N 1 0 477.591 -0.340 20 0 JBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001251657012 1069678852 /nfs/dbraw/zinc/67/88/52/1069678852.db2.gz YCSKPNDPTBIPSZ-QGZVFWFLSA-N 1 0 477.591 -0.340 20 0 JBADRO C[C@@H]1CN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C[C@H](C)[N@H+]1CCO ZINC001251731213 1069679671 /nfs/dbraw/zinc/67/96/71/1069679671.db2.gz AMXVDIZJNKSFRW-GASCZTMLSA-N 1 0 454.549 -0.073 20 0 JBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[C@H](C)C1 ZINC001251731327 1069679904 /nfs/dbraw/zinc/67/99/04/1069679904.db2.gz DHLFZACEOYGNNE-CABCVRRESA-N 1 0 454.549 -0.073 20 0 JBADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[C@@H](C)C1 ZINC001251731328 1069679531 /nfs/dbraw/zinc/67/95/31/1069679531.db2.gz DHLFZACEOYGNNE-GJZGRUSLSA-N 1 0 454.549 -0.073 20 0 JBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[C@H](C)C1 ZINC001251731329 1069679797 /nfs/dbraw/zinc/67/97/97/1069679797.db2.gz DHLFZACEOYGNNE-HUUCEWRRSA-N 1 0 454.549 -0.073 20 0 JBADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[C@@H](C)C1 ZINC001251731330 1069679766 /nfs/dbraw/zinc/67/97/66/1069679766.db2.gz DHLFZACEOYGNNE-LSDHHAIUSA-N 1 0 454.549 -0.073 20 0 JBADRO C[C@@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001251731561 1069679557 /nfs/dbraw/zinc/67/95/57/1069679557.db2.gz JJIKOGVEIGLBMB-PBHICJAKSA-N 1 0 453.565 -0.236 20 0 JBADRO C[C@@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@H]1C[N@H+](C)CCN1C ZINC001251731562 1069679691 /nfs/dbraw/zinc/67/96/91/1069679691.db2.gz JJIKOGVEIGLBMB-RHSMWYFYSA-N 1 0 453.565 -0.236 20 0 JBADRO C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@H]1C[N@H+](C)CCN1C ZINC001251731563 1069679861 /nfs/dbraw/zinc/67/98/61/1069679861.db2.gz JJIKOGVEIGLBMB-WMLDXEAASA-N 1 0 453.565 -0.236 20 0 JBADRO C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001251731564 1069679926 /nfs/dbraw/zinc/67/99/26/1069679926.db2.gz JJIKOGVEIGLBMB-YOEHRIQHSA-N 1 0 453.565 -0.236 20 0 JBADRO CC[C@@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001251817899 1069680723 /nfs/dbraw/zinc/68/07/23/1069680723.db2.gz ZSNNLLNBRVNXMN-XWSJACJDSA-N 1 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476.640 -0.151 20 0 JBADRO CCOC[C@@H](O)C[NH2+][C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001252048987 1069681344 /nfs/dbraw/zinc/68/13/44/1069681344.db2.gz HYKANAJAYKUQMP-APQLOABGSA-N 1 0 463.487 -0.272 20 0 JBADRO CCOC[C@H](O)C[NH2+][C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001252048988 1069681592 /nfs/dbraw/zinc/68/15/92/1069681592.db2.gz HYKANAJAYKUQMP-YKXHTNLXSA-N 1 0 463.487 -0.272 20 0 JBADRO CCOC[C@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001252051865 1069681407 /nfs/dbraw/zinc/68/14/07/1069681407.db2.gz FFDHBLSRALOZCV-FUMNGEBKSA-N 1 0 485.626 -0.735 20 0 JBADRO CCOC[C@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001252051869 1069681539 /nfs/dbraw/zinc/68/15/39/1069681539.db2.gz FFDHBLSRALOZCV-FYQPLNBISA-N 1 0 485.626 -0.735 20 0 JBADRO CCOC[C@@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001252051870 1069681533 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ZINC001252701323 1069685727 /nfs/dbraw/zinc/68/57/27/1069685727.db2.gz YTJQVESNJMZAGG-TUFLPTIASA-N 1 0 499.653 -0.346 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+]C[C@@H](O)COC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001252702807 1069686763 /nfs/dbraw/zinc/68/67/63/1069686763.db2.gz YTJQVESNJMZAGG-IVAOSVALSA-N 1 0 499.653 -0.346 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+]C[C@H](O)COC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001252702808 1069686465 /nfs/dbraw/zinc/68/64/65/1069686465.db2.gz YTJQVESNJMZAGG-XSDIEEQYSA-N 1 0 499.653 -0.346 20 0 JBADRO COC[C@@H](O)C[NH2+]CCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001252829779 1069687599 /nfs/dbraw/zinc/68/75/99/1069687599.db2.gz MLPRGFBCPKAEBT-DWRORGKVSA-N 1 0 462.613 -0.542 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+]CC2(O)CCOCC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001252974991 1069687667 /nfs/dbraw/zinc/68/76/67/1069687667.db2.gz FONUHDCILCBELY-FVVUREQNSA-N 1 0 461.464 -0.799 20 0 JBADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+]CC2(O)CCOCC2)cc1 ZINC001252976021 1069687775 /nfs/dbraw/zinc/68/77/75/1069687775.db2.gz SZRUWNPKYBEGKZ-VBSBHUPXSA-N 1 0 475.498 -0.128 20 0 JBADRO COCCOCCOCCOCCOCCOCCOCC[NH2+]CC1(O)CCOCC1 ZINC001252977561 1069687830 /nfs/dbraw/zinc/68/78/30/1069687830.db2.gz ZIGGFUVKIQWZQL-UHFFFAOYSA-N 1 0 453.573 -0.137 20 0 JBADRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCC[NH2+]CC1(O)CCOCC1 ZINC001252978332 1069687341 /nfs/dbraw/zinc/68/73/41/1069687341.db2.gz FODUVCCPWVFABJ-BJLQDIEVSA-N 1 0 488.651 -0.007 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+]CC1(O)CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001252980216 1069687587 /nfs/dbraw/zinc/68/75/87/1069687587.db2.gz KIDVWXGODGQQNN-SLFFLAALSA-N 1 0 497.637 -0.590 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+]CC1(O)CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001252980224 1069687550 /nfs/dbraw/zinc/68/75/50/1069687550.db2.gz KIDVWXGODGQQNN-UFYCRDLUSA-N 1 0 497.637 -0.590 20 0 JBADRO CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2=O)C1 ZINC001253025903 1069687274 /nfs/dbraw/zinc/68/72/74/1069687274.db2.gz ANAMEWWVJFUAAW-HOCLYGCPSA-N 1 0 452.556 -0.154 20 0 JBADRO CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)CC2=O)C1 ZINC001253025904 1069687398 /nfs/dbraw/zinc/68/73/98/1069687398.db2.gz ANAMEWWVJFUAAW-ZBFHGGJFSA-N 1 0 452.556 -0.154 20 0 JBADRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc1 ZINC001253075352 1069687705 /nfs/dbraw/zinc/68/77/05/1069687705.db2.gz CKCIKKBWTXSRIN-NBOOPKSLSA-N 1 0 453.536 -0.224 20 0 JBADRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc1 ZINC001253075353 1069687439 /nfs/dbraw/zinc/68/74/39/1069687439.db2.gz CKCIKKBWTXSRIN-OVWQWFNUSA-N 1 0 453.536 -0.224 20 0 JBADRO CN(C)C(=O)CN1C[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(CCO)cc3)CC[C@H]2S1(=O)=O ZINC001253142840 1069688525 /nfs/dbraw/zinc/68/85/25/1069688525.db2.gz YFAXEVFGMWZABV-SFHLNBCPSA-N 1 0 469.604 -0.225 20 0 JBADRO CN(C)C(=O)CN1C[C@H]2CC[N@H+](C[C@H](O)COc3ccc(CCO)cc3)CC[C@H]2S1(=O)=O ZINC001253142841 1069688429 /nfs/dbraw/zinc/68/84/29/1069688429.db2.gz YFAXEVFGMWZABV-SVFBPWRDSA-N 1 0 469.604 -0.225 20 0 JBADRO OCCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253168943 1069688553 /nfs/dbraw/zinc/68/85/53/1069688553.db2.gz ROWYJQFREDLUNQ-JOCHJYFZSA-N 1 0 475.579 -0.374 20 0 JBADRO OCCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001253168944 1069688583 /nfs/dbraw/zinc/68/85/83/1069688583.db2.gz ROWYJQFREDLUNQ-QFIPXVFZSA-N 1 0 475.579 -0.374 20 0 JBADRO COC(=O)[C@H](CCCC[NH2+]C[C@H](O)COc1ccc(CCO)cc1)NC(=O)CNC(C)=O ZINC001253174300 1069688618 /nfs/dbraw/zinc/68/86/18/1069688618.db2.gz JYKHTDUSVZYLGB-ICSRJNTNSA-N 1 0 453.536 -0.485 20 0 JBADRO COC(=O)[C@H](CCCC[NH2+]C[C@@H](O)COc1ccc(CCO)cc1)NC(=O)CNC(C)=O ZINC001253174301 1069689293 /nfs/dbraw/zinc/68/92/93/1069689293.db2.gz JYKHTDUSVZYLGB-QUCCMNQESA-N 1 0 453.536 -0.485 20 0 JBADRO CC[NH+](CC)C[C@@H](O)CN1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253182628 1069689434 /nfs/dbraw/zinc/68/94/34/1069689434.db2.gz RPEUPTXFSDBTRF-SBHAEUEKSA-N 1 0 460.641 -0.336 20 0 JBADRO CC[NH+](CC)C[C@H](O)CN1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253182629 1069689580 /nfs/dbraw/zinc/68/95/80/1069689580.db2.gz RPEUPTXFSDBTRF-ZVDOUQERSA-N 1 0 460.641 -0.336 20 0 JBADRO CC[NH+](CC)C[C@H](O)CN[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001253209777 1069689243 /nfs/dbraw/zinc/68/92/43/1069689243.db2.gz IMZZDMINCLQMNV-UCGFNCKJSA-N 1 0 476.523 -0.638 20 0 JBADRO CC[NH+](CC)C[C@@H](O)CN[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001253209778 1069689601 /nfs/dbraw/zinc/68/96/01/1069689601.db2.gz IMZZDMINCLQMNV-WSBLSWJJSA-N 1 0 476.523 -0.638 20 0 JBADRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C[C@H](O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001253312116 1069689520 /nfs/dbraw/zinc/68/95/20/1069689520.db2.gz FYILWSKJUIAFBE-DYESRHJHSA-N 1 0 454.568 -0.078 20 0 JBADRO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C[C@@H](O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001253312117 1069690102 /nfs/dbraw/zinc/69/01/02/1069690102.db2.gz FYILWSKJUIAFBE-LAUBAEHRSA-N 1 0 454.568 -0.078 20 0 JBADRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C[C@H](O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001253312118 1069690472 /nfs/dbraw/zinc/69/04/72/1069690472.db2.gz FYILWSKJUIAFBE-UTKZUKDTSA-N 1 0 454.568 -0.078 20 0 JBADRO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C[C@@H](O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001253312320 1069690435 /nfs/dbraw/zinc/69/04/35/1069690435.db2.gz FYILWSKJUIAFBE-UWJYYQICSA-N 1 0 454.568 -0.078 20 0 JBADRO CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@@H](O)CC3(O)CCN(C(=O)OC(C)(C)C)CC3)C[C@H]21 ZINC001253313423 1069690223 /nfs/dbraw/zinc/69/02/23/1069690223.db2.gz MPDJEIVXIQUCBP-KSZLIROESA-N 1 0 456.584 -0.370 20 0 JBADRO CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@H](O)CC3(O)CCN(C(=O)OC(C)(C)C)CC3)C[C@H]21 ZINC001253313472 1069690375 /nfs/dbraw/zinc/69/03/75/1069690375.db2.gz MPDJEIVXIQUCBP-KURKYZTESA-N 1 0 456.584 -0.370 20 0 JBADRO Cc1cn(CC(=O)NCC[NH2+]C[C@@H](O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]c1=O ZINC001253336010 1069690524 /nfs/dbraw/zinc/69/05/24/1069690524.db2.gz SZRQQWABTAELAD-INIZCTEOSA-N 1 0 483.566 -0.524 20 0 JBADRO Cc1cn(CC(=O)NCC[NH2+]C[C@H](O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]c1=O ZINC001253336011 1069690401 /nfs/dbraw/zinc/69/04/01/1069690401.db2.gz SZRQQWABTAELAD-MRXNPFEDSA-N 1 0 483.566 -0.524 20 0 JBADRO CC(C)(C)OC(=O)N1CCC(O)(C[C@H](O)C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001253340027 1069690284 /nfs/dbraw/zinc/69/02/84/1069690284.db2.gz NRCQQWIAMXHBBN-KRWDZBQOSA-N 1 0 464.629 -0.334 20 0 JBADRO CC(C)(C)OC(=O)N1CCC(O)(C[C@@H](O)C[NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001253340031 1069690425 /nfs/dbraw/zinc/69/04/25/1069690425.db2.gz NRCQQWIAMXHBBN-QGZVFWFLSA-N 1 0 464.629 -0.334 20 0 JBADRO CC(C)(C)[NH2+]C[C@@H](O)CN1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253389356 1069690493 /nfs/dbraw/zinc/69/04/93/1069690493.db2.gz ZVEJWPFHONLPMI-OPYAIIAOSA-N 1 0 460.641 -0.290 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC[C@H](O)C[NH2+]C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001253408553 1069690306 /nfs/dbraw/zinc/69/03/06/1069690306.db2.gz WTLDMQVIIHXCKT-RFVXBFLTSA-N 1 0 476.523 -0.592 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253437105 1069691275 /nfs/dbraw/zinc/69/12/75/1069691275.db2.gz ZPVLTVWFBOMBEU-KRWDZBQOSA-N 1 0 451.520 -0.113 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC001253437106 1069691187 /nfs/dbraw/zinc/69/11/87/1069691187.db2.gz ZPVLTVWFBOMBEU-QGZVFWFLSA-N 1 0 451.520 -0.113 20 0 JBADRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc1 ZINC001253439742 1069691280 /nfs/dbraw/zinc/69/12/80/1069691280.db2.gz JNODEXPACSIKPT-MSOLQXFVSA-N 1 0 462.547 -0.316 20 0 JBADRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc1 ZINC001253439746 1069691350 /nfs/dbraw/zinc/69/13/50/1069691350.db2.gz JNODEXPACSIKPT-ROUUACIJSA-N 1 0 462.547 -0.316 20 0 JBADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)COc1ccc(Br)cc1Br ZINC001253521460 1069691253 /nfs/dbraw/zinc/69/12/53/1069691253.db2.gz FROGQSCNFHYMHH-JTQLQIEISA-N 1 0 496.156 -0.741 20 0 JBADRO NC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1Br ZINC001253521461 1069691344 /nfs/dbraw/zinc/69/13/44/1069691344.db2.gz FROGQSCNFHYMHH-SNVBAGLBSA-N 1 0 496.156 -0.741 20 0 JBADRO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253676306 1069693145 /nfs/dbraw/zinc/69/31/45/1069693145.db2.gz GTAAPJLLRQPGGH-FVJLSDCUSA-N 1 0 475.608 -0.336 20 0 JBADRO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253676312 1069693076 /nfs/dbraw/zinc/69/30/76/1069693076.db2.gz GTAAPJLLRQPGGH-LZJOCLMNSA-N 1 0 475.608 -0.336 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+]C[C@@H](O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001253787614 1069694096 /nfs/dbraw/zinc/69/40/96/1069694096.db2.gz DJLLGWZKVVJMHA-HAGHYFMRSA-N 1 0 469.627 -0.115 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+]C[C@H](O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001253787615 1069693979 /nfs/dbraw/zinc/69/39/79/1069693979.db2.gz DJLLGWZKVVJMHA-LWYYNNOASA-N 1 0 469.627 -0.115 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+]C[C@H](O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001253787616 1069693737 /nfs/dbraw/zinc/69/37/37/1069693737.db2.gz DJLLGWZKVVJMHA-MUGJNUQGSA-N 1 0 469.627 -0.115 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+]C[C@@H](O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001253787617 1069694076 /nfs/dbraw/zinc/69/40/76/1069694076.db2.gz DJLLGWZKVVJMHA-VNTMZGSJSA-N 1 0 469.627 -0.115 20 0 JBADRO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253795588 1069693826 /nfs/dbraw/zinc/69/38/26/1069693826.db2.gz QZIUJDYFLADUCD-QKLQHJQFSA-N 1 0 461.581 -0.725 20 0 JBADRO CCOC(=O)C[C@H](O)C[NH2+][C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001253810337 1069693764 /nfs/dbraw/zinc/69/37/64/1069693764.db2.gz CNCJAQGQDNJNLY-AKJHWKIKSA-N 1 0 491.497 -0.355 20 0 JBADRO CCOC(=O)C[C@H](O)C[NH2+]CCOCCOCCOCCOCCOCCOCCOC ZINC001253813096 1069694023 /nfs/dbraw/zinc/69/40/23/1069694023.db2.gz MNYLVXJHTCIUKM-FQEVSTJZSA-N 1 0 469.572 -0.364 20 0 JBADRO Cc1cn(CC(=O)NCC[NH2+]C[C@@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)c(=O)[nH]c1=O ZINC001253900807 1069694720 /nfs/dbraw/zinc/69/47/20/1069694720.db2.gz KGJMURCXCFNARX-AEFFLSMTSA-N 1 0 463.445 -0.517 20 0 JBADRO Cc1cn(CC(=O)NCC[NH2+]C[C@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)c(=O)[nH]c1=O ZINC001253900819 1069694744 /nfs/dbraw/zinc/69/47/44/1069694744.db2.gz KGJMURCXCFNARX-FUHWJXTLSA-N 1 0 463.445 -0.517 20 0 JBADRO Cc1cn(CC(=O)NCC[NH2+]C[C@@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)c(=O)[nH]c1=O ZINC001253900826 1069694655 /nfs/dbraw/zinc/69/46/55/1069694655.db2.gz KGJMURCXCFNARX-SJLPKXTDSA-N 1 0 463.445 -0.517 20 0 JBADRO Cc1cn(CC(=O)NCC[NH2+]C[C@H](O)[C@H](c2ccc(F)cc2F)n2cncn2)c(=O)[nH]c1=O ZINC001253900833 1069694797 /nfs/dbraw/zinc/69/47/97/1069694797.db2.gz KGJMURCXCFNARX-WMZOPIPTSA-N 1 0 463.445 -0.517 20 0 JBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914081 1069694809 /nfs/dbraw/zinc/69/48/09/1069694809.db2.gz GIQPDTBSEAYCCA-DHMYTKHGSA-N 1 0 482.488 -0.333 20 0 JBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914082 1069694780 /nfs/dbraw/zinc/69/47/80/1069694780.db2.gz GIQPDTBSEAYCCA-HHDFAXHISA-N 1 0 482.488 -0.333 20 0 JBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914083 1069694753 /nfs/dbraw/zinc/69/47/53/1069694753.db2.gz GIQPDTBSEAYCCA-LNINBKOHSA-N 1 0 482.488 -0.333 20 0 JBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253914084 1069694700 /nfs/dbraw/zinc/69/47/00/1069694700.db2.gz GIQPDTBSEAYCCA-NUTGUDPMSA-N 1 0 482.488 -0.333 20 0 JBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253917195 1069694853 /nfs/dbraw/zinc/69/48/53/1069694853.db2.gz ZVOPVQNTALOQSY-BURNTYAHSA-N 1 0 488.495 -0.330 20 0 JBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001253917197 1069694622 /nfs/dbraw/zinc/69/46/22/1069694622.db2.gz ZVOPVQNTALOQSY-TUFLPTIASA-N 1 0 488.495 -0.330 20 0 JBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253917198 1069694833 /nfs/dbraw/zinc/69/48/33/1069694833.db2.gz ZVOPVQNTALOQSY-UWHLTILDSA-N 1 0 488.495 -0.330 20 0 JBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001253917199 1069694775 /nfs/dbraw/zinc/69/47/75/1069694775.db2.gz ZVOPVQNTALOQSY-XSDIEEQYSA-N 1 0 488.495 -0.330 20 0 JBADRO C[C@H](Cc1ccccc1)[N@H+](C)Cc1cn([C@]2(CO)O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104120 1069696685 /nfs/dbraw/zinc/69/66/85/1069696685.db2.gz FGMQLQBHORPYMT-NKIFTDMXSA-N 1 0 472.502 -0.801 20 0 JBADRO C[C@H](Cc1ccccc1)[N@H+](C)Cc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104549 1069697652 /nfs/dbraw/zinc/69/76/52/1069697652.db2.gz KSHLPDAQGHTEDL-NKIFTDMXSA-N 1 0 471.518 -0.681 20 0 JBADRO CCCC[NH+](CCCC)Cc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](O)[C@@H]2O)nn1 ZINC001254104671 1069697731 /nfs/dbraw/zinc/69/77/31/1069697731.db2.gz NYBVEIVWFLZUFR-PNYFIKQUSA-N 1 0 451.528 -0.342 20 0 JBADRO C[C@H](Cc1ccccc1)[N@H+](C)Cc1cn([C@]2(CO)O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)nn1 ZINC001254105172 1069698661 /nfs/dbraw/zinc/69/86/61/1069698661.db2.gz CYKSWVIZTZLLNF-NKIFTDMXSA-N 1 0 454.487 -0.106 20 0 JBADRO C[C@H](Cc1ccccc1)[N@H+](C)Cc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)nn1 ZINC001254105432 1069699318 /nfs/dbraw/zinc/69/93/18/1069699318.db2.gz KSHLPDAQGHTEDL-MNKKRNMXSA-N 1 0 471.518 -0.681 20 0 JBADRO CCCC[NH+](CCCC)Cc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)nn1 ZINC001254105541 1069699239 /nfs/dbraw/zinc/69/92/39/1069699239.db2.gz NYBVEIVWFLZUFR-AJYBTWMASA-N 1 0 451.528 -0.342 20 0 JBADRO CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCn1cc(C[N@@H+](C)[C@H](C)Cc2ccccc2)nn1 ZINC001254106890 1069699944 /nfs/dbraw/zinc/69/99/44/1069699944.db2.gz HBVIAHPRNTYLIS-WFDFPFKMSA-N 1 0 477.562 -0.699 20 0 JBADRO CCCC[NH+](CCCC)Cc1cn(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)nn1 ZINC001254107257 1069700610 /nfs/dbraw/zinc/70/06/10/1069700610.db2.gz SSKHUBROTYIBNN-PFAUGDHASA-N 1 0 457.572 -0.359 20 0 JBADRO CC(=O)OC[C@H]1O[C@H](O)[C@H](n2cc(C3CC[NH+](C)CC3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC001254113668 1069702623 /nfs/dbraw/zinc/70/26/23/1069702623.db2.gz SRDNVSLYHOMSRP-OBKDMQGPSA-N 1 0 454.480 -0.228 20 0 JBADRO CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(C3CC[NH+](C)CC3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC001254113673 1069702582 /nfs/dbraw/zinc/70/25/82/1069702582.db2.gz SRDNVSLYHOMSRP-OUUBHVDSSA-N 1 0 454.480 -0.228 20 0 JBADRO CCOC(=O)C(CCc1cn(CCOCCOCCOCCOCC[NH3+])nn1)C(=O)OCC ZINC001254153170 1069704577 /nfs/dbraw/zinc/70/45/77/1069704577.db2.gz MYWNJZWTNLXMAA-UHFFFAOYSA-N 1 0 474.555 -0.022 20 0 JBADRO CCOC(=O)C(Cc1cn(CCOCCOCCOCCOCC[NH3+])nn1)C(=O)OCC ZINC001254153987 1069704644 /nfs/dbraw/zinc/70/46/44/1069704644.db2.gz YQBBILVLHILQLE-UHFFFAOYSA-N 1 0 460.528 -0.412 20 0 JBADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3[C@H](n4ccc(=O)[nH]c4=O)O[C@H](CO)[C@H]3O)CC2)cc1 ZINC001254172037 1069704656 /nfs/dbraw/zinc/70/46/56/1069704656.db2.gz CAKCETOCUFWLJB-VBSBHUPXSA-N 1 0 480.543 -0.681 20 0 JBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001254172969 1069704481 /nfs/dbraw/zinc/70/44/81/1069704481.db2.gz RTPNZSHCWIPIQZ-UHFFFAOYSA-N 1 0 454.549 -0.467 20 0 JBADRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CC2)cc1 ZINC001254178188 1069705243 /nfs/dbraw/zinc/70/52/43/1069705243.db2.gz UZAOVUMARMEAJC-SFHVURJKSA-N 1 0 465.576 -0.670 20 0 JBADRO CC(C)(C)OC(=O)N1CCCC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001254189717 1069705130 /nfs/dbraw/zinc/70/51/30/1069705130.db2.gz YOLYBQUDNCDEBE-DBGJGPROSA-N 1 0 479.538 -0.285 20 0 JBADRO CC(C)(C)OC(=O)N1CCCC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001254189718 1069705476 /nfs/dbraw/zinc/70/54/76/1069705476.db2.gz YOLYBQUDNCDEBE-VTRIPGNTSA-N 1 0 479.538 -0.285 20 0 JBADRO CC(C)(C)OC(=O)N1CC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC1=O ZINC001254237586 1069705052 /nfs/dbraw/zinc/70/50/52/1069705052.db2.gz NFKSEPPCTQPVIZ-CIQGVGRVSA-N 1 0 463.495 -0.119 20 0 JBADRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC1=O ZINC001254237587 1069705381 /nfs/dbraw/zinc/70/53/81/1069705381.db2.gz NFKSEPPCTQPVIZ-GFQSEFKGSA-N 1 0 463.495 -0.119 20 0 JBADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1=O ZINC001254245414 1069705351 /nfs/dbraw/zinc/70/53/51/1069705351.db2.gz HKPSILHYLCIOCZ-PVAVHDDUSA-N 1 0 464.519 -0.219 20 0 JBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1=O ZINC001254245417 1069705452 /nfs/dbraw/zinc/70/54/52/1069705452.db2.gz HKPSILHYLCIOCZ-XIRDDKMYSA-N 1 0 464.519 -0.219 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1Cc2ccc(Br)cc2C1 ZINC001254268056 1069705187 /nfs/dbraw/zinc/70/51/87/1069705187.db2.gz VZJZKWMPHWKAPW-DBGJGPROSA-N 1 0 477.319 -0.145 20 0 JBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1Cc2ccc(Br)cc2C1 ZINC001254268057 1069705432 /nfs/dbraw/zinc/70/54/32/1069705432.db2.gz VZJZKWMPHWKAPW-VTRIPGNTSA-N 1 0 477.319 -0.145 20 0 JBADRO CC(C)(C)OC(=O)N1CCC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001254291951 1069705268 /nfs/dbraw/zinc/70/52/68/1069705268.db2.gz QXGLCXSBBDWQQJ-DBGJGPROSA-N 1 0 479.538 -0.285 20 0 JBADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001254291952 1069705395 /nfs/dbraw/zinc/70/53/95/1069705395.db2.gz QXGLCXSBBDWQQJ-VTRIPGNTSA-N 1 0 479.538 -0.285 20 0 JBADRO COC(=O)[C@H](CCCNC(N)=[NH2+])N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001254318378 1069706190 /nfs/dbraw/zinc/70/61/90/1069706190.db2.gz YXMKHALRSPSKEQ-HOCLYGCPSA-N 1 0 460.578 -0.022 20 0 JBADRO COC(=O)[C@H](CCCNC(N)=[NH2+])N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 ZINC001254318379 1069706023 /nfs/dbraw/zinc/70/60/23/1069706023.db2.gz YXMKHALRSPSKEQ-ZBFHGGJFSA-N 1 0 460.578 -0.022 20 0 JBADRO N=C(CCSCc1csc(NC(N)=[NH2+])n1)N([C@@H]1CCS(=O)(=O)C1)S(N)(=O)=O ZINC001254319280 1069706153 /nfs/dbraw/zinc/70/61/53/1069706153.db2.gz VQAIMLINDNUKFT-SECBINFHSA-N 1 0 455.613 -0.258 20 0 JBADRO N=C(CCSCc1csc(NC(N)=[NH2+])n1)N([C@H]1CCS(=O)(=O)C1)S(N)(=O)=O ZINC001254319285 1069706281 /nfs/dbraw/zinc/70/62/81/1069706281.db2.gz VQAIMLINDNUKFT-VIFPVBQESA-N 1 0 455.613 -0.258 20 0 JBADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC001254320899 1069706104 /nfs/dbraw/zinc/70/61/04/1069706104.db2.gz FGQIOUKYLYMCKE-POGZOPGASA-N 1 0 479.511 -0.482 20 0 JBADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC001254320903 1069705952 /nfs/dbraw/zinc/70/59/52/1069705952.db2.gz FGQIOUKYLYMCKE-ZPKKHLQPSA-N 1 0 479.511 -0.482 20 0 JBADRO NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254323174 1069706084 /nfs/dbraw/zinc/70/60/84/1069706084.db2.gz HCZJSTRDTCEESU-DNCCFGNJSA-N 1 0 489.664 -0.371 20 0 JBADRO NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254323180 1069705919 /nfs/dbraw/zinc/70/59/19/1069705919.db2.gz HCZJSTRDTCEESU-IMPIEMTGSA-N 1 0 489.664 -0.371 20 0 JBADRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254325053 1069706296 /nfs/dbraw/zinc/70/62/96/1069706296.db2.gz QPXURVUVMMTERC-DFEOGRTESA-N 1 0 492.664 -0.362 20 0 JBADRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254325054 1069706204 /nfs/dbraw/zinc/70/62/04/1069706204.db2.gz QPXURVUVMMTERC-DWRORGKVSA-N 1 0 492.664 -0.362 20 0 JBADRO COCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254326791 1069705898 /nfs/dbraw/zinc/70/58/98/1069705898.db2.gz MMQWLJOTOAQGJA-IBGZPJMESA-N 1 0 457.586 -0.491 20 0 JBADRO COCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254326792 1069706038 /nfs/dbraw/zinc/70/60/38/1069706038.db2.gz MMQWLJOTOAQGJA-LJQANCHMSA-N 1 0 457.586 -0.491 20 0 JBADRO NC(=O)[C@H](Cc1cn([C@@H]2CCS(=O)(=O)C2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001254327466 1069706047 /nfs/dbraw/zinc/70/60/47/1069706047.db2.gz JQNAYHDYGSFHFN-NJAFHUGGSA-N 1 0 458.544 -0.193 20 0 JBADRO NC(=O)[C@H](Cc1cn([C@H]2CCS(=O)(=O)C2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001254327468 1069705977 /nfs/dbraw/zinc/70/59/77/1069705977.db2.gz JQNAYHDYGSFHFN-SZMVWBNQSA-N 1 0 458.544 -0.193 20 0 JBADRO CCOC(=O)CN1CCC(n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)CC1 ZINC001254395901 1069707129 /nfs/dbraw/zinc/70/71/29/1069707129.db2.gz DACWCJAYTPAFTD-KRWDZBQOSA-N 1 0 493.565 -0.124 20 0 JBADRO CCOC(=O)CN1CCC([NH2+]CCOCCOCCOCCOCCOCCO)CC1 ZINC001254395946 1069706835 /nfs/dbraw/zinc/70/68/35/1069706835.db2.gz FRVRATFKVWYHDL-UHFFFAOYSA-N 1 0 450.573 -0.321 20 0 JBADRO CCOC(=O)CN1CCC([NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)CC1 ZINC001254401439 1069706964 /nfs/dbraw/zinc/70/69/64/1069706964.db2.gz MKCSTGQPGWPGGB-ROUUACIJSA-N 1 0 487.667 -0.142 20 0 JBADRO CCOC(=O)CN1CCC(n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)CC1 ZINC001254401775 1069707008 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CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCN(C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001255427287 1069714122 /nfs/dbraw/zinc/71/41/22/1069714122.db2.gz RLLALRFLTRYYDS-FUMNGEBKSA-N 1 0 466.627 -0.428 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCN(C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001255427288 1069713620 /nfs/dbraw/zinc/71/36/20/1069713620.db2.gz RLLALRFLTRYYDS-FYQPLNBISA-N 1 0 466.627 -0.428 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCN(C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001255427289 1069714029 /nfs/dbraw/zinc/71/40/29/1069714029.db2.gz RLLALRFLTRYYDS-LWYYNNOASA-N 1 0 466.627 -0.428 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCN(C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001255427290 1069714058 /nfs/dbraw/zinc/71/40/58/1069714058.db2.gz RLLALRFLTRYYDS-MUGJNUQGSA-N 1 0 466.627 -0.428 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCCN(C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001255479810 1069714991 /nfs/dbraw/zinc/71/49/91/1069714991.db2.gz MFSVJKOXIBSKAQ-ANULTFPQSA-N 1 0 480.654 -0.038 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CCCN(C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001255479813 1069714885 /nfs/dbraw/zinc/71/48/85/1069714885.db2.gz MFSVJKOXIBSKAQ-IVAOSVALSA-N 1 0 480.654 -0.038 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCCN(C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001255479814 1069714978 /nfs/dbraw/zinc/71/49/78/1069714978.db2.gz MFSVJKOXIBSKAQ-TUFLPTIASA-N 1 0 480.654 -0.038 20 0 JBADRO CC(=O)N[C@@H](CCCC[NH2+][C@H]1CCCN(C)C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001255479815 1069714596 /nfs/dbraw/zinc/71/45/96/1069714596.db2.gz MFSVJKOXIBSKAQ-XSDIEEQYSA-N 1 0 480.654 -0.038 20 0 JBADRO COC[C@@H](C)[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001255566481 1069714735 /nfs/dbraw/zinc/71/47/35/1069714735.db2.gz IXEVLJODKYKHHR-BVBHFADKSA-N 1 0 455.600 -0.097 20 0 JBADRO COC[C@H](C)[NH2+]CCCC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001255566482 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C[C@H]([NH2+]C1CCN(C(=O)C(F)(F)F)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001255979789 1069716553 /nfs/dbraw/zinc/71/65/53/1069716553.db2.gz BLWYJQZXQWEYRN-LRDDRELGSA-N 1 0 487.479 -0.448 20 0 JBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(C(=O)C(F)(F)F)CC1)C(N)=O ZINC001255980122 1069716520 /nfs/dbraw/zinc/71/65/20/1069716520.db2.gz PNLRSVJOAGWLJD-RLCCDNCMSA-N 1 0 460.453 -0.203 20 0 JBADRO CCOC(=O)CCC(CCC(=O)OCC)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001256000098 1069716812 /nfs/dbraw/zinc/71/68/12/1069716812.db2.gz GFIWSJMXKWTBJR-OALUTQOASA-N 1 0 481.546 -0.090 20 0 JBADRO CCOC(=O)N1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001256015322 1069716563 /nfs/dbraw/zinc/71/65/63/1069716563.db2.gz YESLDYQCNINZNZ-ILXRZTDVSA-N 1 0 495.537 -0.560 20 0 JBADRO CCOC(=O)N1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001256015334 1069716715 /nfs/dbraw/zinc/71/67/15/1069716715.db2.gz YESLDYQCNINZNZ-KKUMJFAQSA-N 1 0 495.537 -0.560 20 0 JBADRO CCOC(=O)N1CC[C@@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001256015338 1069716461 /nfs/dbraw/zinc/71/64/61/1069716461.db2.gz YESLDYQCNINZNZ-QLFBSQMISA-N 1 0 495.537 -0.560 20 0 JBADRO CCOC(=O)N1CC[C@H](n2c3c(ncn3CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001256015340 1069716794 /nfs/dbraw/zinc/71/67/94/1069716794.db2.gz YESLDYQCNINZNZ-SOUVJXGZSA-N 1 0 495.537 -0.560 20 0 JBADRO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001256033113 1069717390 /nfs/dbraw/zinc/71/73/90/1069717390.db2.gz SFXBSERMVYLRQW-HNNXBMFYSA-N 1 0 459.594 -0.166 20 0 JBADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001256033114 1069717305 /nfs/dbraw/zinc/71/73/05/1069717305.db2.gz SFXBSERMVYLRQW-OAHLLOKOSA-N 1 0 459.594 -0.166 20 0 JBADRO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256056637 1069717586 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CC(C)(C)OC(=O)N1CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001256283566 1069719951 /nfs/dbraw/zinc/71/99/51/1069719951.db2.gz NHQAZUCENGRTGR-CTWCOEIASA-N 1 0 465.511 -0.675 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@@H](C)CC(=O)N1CCOCC1)c(N)nc2=O ZINC001256326690 1069719900 /nfs/dbraw/zinc/71/99/00/1069719900.db2.gz QRABBJMDYFENBM-HOCLYGCPSA-N 1 0 479.538 -0.514 20 0 JBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@H](C)CC(=O)N1CCOCC1)c(N)nc2=O ZINC001256326691 1069720199 /nfs/dbraw/zinc/72/01/99/1069720199.db2.gz QRABBJMDYFENBM-ZBFHGGJFSA-N 1 0 479.538 -0.514 20 0 JBADRO COCCOCCOCCOCCOCCOCC[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC001256334206 1069720048 /nfs/dbraw/zinc/72/00/48/1069720048.db2.gz RYMVLJFRXHMTER-FQEVSTJZSA-N 1 0 450.573 -0.057 20 0 JBADRO COCCOCCOCCOCCOCCOCC[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC001256334207 1069720256 /nfs/dbraw/zinc/72/02/56/1069720256.db2.gz RYMVLJFRXHMTER-HXUWFJFHSA-N 1 0 450.573 -0.057 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)CC(=O)N1CCOCC1)C(N)=O ZINC001256334228 1069720098 /nfs/dbraw/zinc/72/00/98/1069720098.db2.gz SEHRHBNTGDMCKP-IKGGRYGDSA-N 1 0 473.640 -0.533 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)CC(=O)N1CCOCC1)C(N)=O ZINC001256334229 1069720028 /nfs/dbraw/zinc/72/00/28/1069720028.db2.gz SEHRHBNTGDMCKP-ULQDDVLXSA-N 1 0 473.640 -0.533 20 0 JBADRO C[C@H](CC(=O)N1CCOCC1)n1cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)c1 ZINC001256334448 1069720073 /nfs/dbraw/zinc/72/00/73/1069720073.db2.gz HMRLFHRNOBBYOA-XPGWFJOJSA-N 1 0 472.546 -0.519 20 0 JBADRO C[C@@H](CC(=O)N1CCOCC1)n1cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)c1 ZINC001256334449 1069720664 /nfs/dbraw/zinc/72/06/64/1069720664.db2.gz HMRLFHRNOBBYOA-YSSFQJQWSA-N 1 0 472.546 -0.519 20 0 JBADRO COCCOCCOCCOCCOCCOCCOCC[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC001256334569 1069720893 /nfs/dbraw/zinc/72/08/93/1069720893.db2.gz VXXCAVXNOYAMBD-JOCHJYFZSA-N 1 0 494.626 -0.041 20 0 JBADRO COCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC001256334570 1069720858 /nfs/dbraw/zinc/72/08/58/1069720858.db2.gz VXXCAVXNOYAMBD-QFIPXVFZSA-N 1 0 494.626 -0.041 20 0 JBADRO C[C@H](CC(=O)N1CCOCC1)[NH+]1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001256335406 1069720686 /nfs/dbraw/zinc/72/06/86/1069720686.db2.gz FTEPZGHCPAQWLO-DYESRHJHSA-N 1 0 456.609 -0.170 20 0 JBADRO C[C@@H](CC(=O)N1CCOCC1)[NH+]1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001256335407 1069720815 /nfs/dbraw/zinc/72/08/15/1069720815.db2.gz FTEPZGHCPAQWLO-LAUBAEHRSA-N 1 0 456.609 -0.170 20 0 JBADRO C[C@H](CC(=O)N1CCOCC1)[NH+]1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001256335408 1069720702 /nfs/dbraw/zinc/72/07/02/1069720702.db2.gz FTEPZGHCPAQWLO-UTKZUKDTSA-N 1 0 456.609 -0.170 20 0 JBADRO C[C@@H](CC(=O)N1CCOCC1)[NH+]1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001256335409 1069721008 /nfs/dbraw/zinc/72/10/08/1069721008.db2.gz FTEPZGHCPAQWLO-UWJYYQICSA-N 1 0 456.609 -0.170 20 0 JBADRO 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JBADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C3CCS(=O)(=O)CC3)CC[C@@H]12 ZINC001256383681 1069721976 /nfs/dbraw/zinc/72/19/76/1069721976.db2.gz GIUVIQJNAJDYLT-MJGOQNOKSA-N 1 0 463.622 -0.462 20 0 JBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C1CCS(=O)(=O)CC1)C(N)=O ZINC001256384110 1069721870 /nfs/dbraw/zinc/72/18/70/1069721870.db2.gz VNWLEEITSHLKTO-GJZGRUSLSA-N 1 0 450.627 -0.593 20 0 JBADRO C[C@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CCN1C(=O)OC(C)(C)C ZINC001256451932 1069721955 /nfs/dbraw/zinc/72/19/55/1069721955.db2.gz JBDLRZVKZNIEPS-CHDCVOSJSA-N 1 0 479.538 -0.286 20 0 JBADRO C[C@@H]1C[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CCN1C(=O)OC(C)(C)C ZINC001256451944 1069721639 /nfs/dbraw/zinc/72/16/39/1069721639.db2.gz JBDLRZVKZNIEPS-NVZKKKRGSA-N 1 0 479.538 -0.286 20 0 JBADRO C[C@H]1C[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CCN1C(=O)OC(C)(C)C ZINC001256451945 1069721922 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UJHSEWGGMVRYRF-FPTDNZKUSA-N 1 0 454.535 -0.041 20 0 JBADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288542471 1069867176 /nfs/dbraw/zinc/86/71/76/1069867176.db2.gz UJHSEWGGMVRYRF-JLCFBVMHSA-N 1 0 454.535 -0.041 20 0 JBADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288542472 1069867351 /nfs/dbraw/zinc/86/73/51/1069867351.db2.gz UJHSEWGGMVRYRF-PEBXRYMYSA-N 1 0 454.535 -0.041 20 0 JBADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288542473 1069867071 /nfs/dbraw/zinc/86/70/71/1069867071.db2.gz UJHSEWGGMVRYRF-RCDICMHDSA-N 1 0 454.535 -0.041 20 0 JBADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001288600061 1069867025 /nfs/dbraw/zinc/86/70/25/1069867025.db2.gz WQLQJSMSHNFHNC-HNNXBMFYSA-N 1 0 469.550 -0.197 20 0 JBADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001288600062 1069866830 /nfs/dbraw/zinc/86/68/30/1069866830.db2.gz WQLQJSMSHNFHNC-OAHLLOKOSA-N 1 0 469.550 -0.197 20 0 JBADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288617386 1069867050 /nfs/dbraw/zinc/86/70/50/1069867050.db2.gz PUBHSGKEOGGZHO-KRWDZBQOSA-N 1 0 456.551 -0.202 20 0 JBADRO C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288617387 1069867410 /nfs/dbraw/zinc/86/74/10/1069867410.db2.gz PUBHSGKEOGGZHO-QGZVFWFLSA-N 1 0 456.551 -0.202 20 0 JBADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288639681 1069867216 /nfs/dbraw/zinc/86/72/16/1069867216.db2.gz AAFCZMHBCNZMPJ-MSOLQXFVSA-N 1 0 463.583 -0.023 20 0 JBADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288639685 1069868320 /nfs/dbraw/zinc/86/83/20/1069868320.db2.gz AAFCZMHBCNZMPJ-QZTJIDSGSA-N 1 0 463.583 -0.023 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288639686 1069868210 /nfs/dbraw/zinc/86/82/10/1069868210.db2.gz AAFCZMHBCNZMPJ-ROUUACIJSA-N 1 0 463.583 -0.023 20 0 JBADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288639688 1069868233 /nfs/dbraw/zinc/86/82/33/1069868233.db2.gz AAFCZMHBCNZMPJ-ZWKOTPCHSA-N 1 0 463.583 -0.023 20 0 JBADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288648502 1069868103 /nfs/dbraw/zinc/86/81/03/1069868103.db2.gz NKDYEMXXXKQRSF-MSOLQXFVSA-N 1 0 463.583 -0.370 20 0 JBADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288648503 1069867928 /nfs/dbraw/zinc/86/79/28/1069867928.db2.gz NKDYEMXXXKQRSF-QZTJIDSGSA-N 1 0 463.583 -0.370 20 0 JBADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288648504 1069867782 /nfs/dbraw/zinc/86/77/82/1069867782.db2.gz NKDYEMXXXKQRSF-ROUUACIJSA-N 1 0 463.583 -0.370 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288648505 1069868193 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C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001288651862 1069868292 /nfs/dbraw/zinc/86/82/92/1069868292.db2.gz LVMFCAYJRVVIGG-MWDXBVQZSA-N 1 0 469.612 -0.382 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001288651863 1069868003 /nfs/dbraw/zinc/86/80/03/1069868003.db2.gz LVMFCAYJRVVIGG-NXOAAHMSSA-N 1 0 469.612 -0.382 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001288651864 1069868027 /nfs/dbraw/zinc/86/80/27/1069868027.db2.gz LVMFCAYJRVVIGG-TWMKSMIVSA-N 1 0 469.612 -0.382 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001288651865 1069868260 /nfs/dbraw/zinc/86/82/60/1069868260.db2.gz LVMFCAYJRVVIGG-YYIAUSFCSA-N 1 0 469.612 -0.382 20 0 JBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001288653810 1069867844 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C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[NH+](C)C ZINC001288654007 1069868548 /nfs/dbraw/zinc/86/85/48/1069868548.db2.gz XOHDCTHRMCNCCR-QXSJWSMHSA-N 1 0 480.657 -0.181 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[NH+](C)C ZINC001288654010 1069869267 /nfs/dbraw/zinc/86/92/67/1069869267.db2.gz XOHDCTHRMCNCCR-UGUYLWEFSA-N 1 0 480.657 -0.181 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[NH+](C)C ZINC001288654013 1069868829 /nfs/dbraw/zinc/86/88/29/1069868829.db2.gz XOHDCTHRMCNCCR-WCVJEAGWSA-N 1 0 480.657 -0.181 20 0 JBADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001288708936 1069870434 /nfs/dbraw/zinc/87/04/34/1069870434.db2.gz GZSBKSLQIHFFRR-INIZCTEOSA-N 1 0 450.569 -0.215 20 0 JBADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC001288708937 1069870197 /nfs/dbraw/zinc/87/01/97/1069870197.db2.gz GZSBKSLQIHFFRR-MRXNPFEDSA-N 1 0 450.569 -0.215 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001288733914 1069871428 /nfs/dbraw/zinc/87/14/28/1069871428.db2.gz AAYUNLAYZWUHDU-CVEARBPZSA-N 1 0 492.668 -0.035 20 0 JBADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001288733915 1069871119 /nfs/dbraw/zinc/87/11/19/1069871119.db2.gz AAYUNLAYZWUHDU-HOTGVXAUSA-N 1 0 492.668 -0.035 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001288733916 1069870879 /nfs/dbraw/zinc/87/08/79/1069870879.db2.gz AAYUNLAYZWUHDU-HZPDHXFCSA-N 1 0 492.668 -0.035 20 0 JBADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001288733917 1069871317 /nfs/dbraw/zinc/87/13/17/1069871317.db2.gz AAYUNLAYZWUHDU-JKSUJKDBSA-N 1 0 492.668 -0.035 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288775438 1069873324 /nfs/dbraw/zinc/87/33/24/1069873324.db2.gz DPGLCIDZCUDBMT-DYESRHJHSA-N 1 0 487.671 -0.251 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288775440 1069872499 /nfs/dbraw/zinc/87/24/99/1069872499.db2.gz DPGLCIDZCUDBMT-LAUBAEHRSA-N 1 0 487.671 -0.251 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288775441 1069873041 /nfs/dbraw/zinc/87/30/41/1069873041.db2.gz DPGLCIDZCUDBMT-UTKZUKDTSA-N 1 0 487.671 -0.251 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288775445 1069873227 /nfs/dbraw/zinc/87/32/27/1069873227.db2.gz DPGLCIDZCUDBMT-UWJYYQICSA-N 1 0 487.671 -0.251 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288784066 1069874727 /nfs/dbraw/zinc/87/47/27/1069874727.db2.gz ITGIWNNDPOXQME-PXAZEXFGSA-N 1 0 460.992 -0.022 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288784067 1069874938 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ZINC001288792971 1069875834 /nfs/dbraw/zinc/87/58/34/1069875834.db2.gz UNEXVBNGQVDTTG-SFHVURJKSA-N 1 0 487.671 -0.108 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001288800259 1069876878 /nfs/dbraw/zinc/87/68/78/1069876878.db2.gz JFGUPPOGLGNEDQ-HRCADAONSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001288800260 1069876691 /nfs/dbraw/zinc/87/66/91/1069876691.db2.gz JFGUPPOGLGNEDQ-JYJNAYRXSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001288800261 1069876925 /nfs/dbraw/zinc/87/69/25/1069876925.db2.gz JFGUPPOGLGNEDQ-OWCLPIDISA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001288800262 1069877016 /nfs/dbraw/zinc/87/70/16/1069877016.db2.gz JFGUPPOGLGNEDQ-PMPSAXMXSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288802786 1069877812 /nfs/dbraw/zinc/87/78/12/1069877812.db2.gz COFCBLIQODOCIB-CVEARBPZSA-N 1 0 471.628 -0.086 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288802787 1069877466 /nfs/dbraw/zinc/87/74/66/1069877466.db2.gz COFCBLIQODOCIB-HOTGVXAUSA-N 1 0 471.628 -0.086 20 0 JBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288802788 1069877613 /nfs/dbraw/zinc/87/76/13/1069877613.db2.gz COFCBLIQODOCIB-HZPDHXFCSA-N 1 0 471.628 -0.086 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001288802789 1069877415 /nfs/dbraw/zinc/87/74/15/1069877415.db2.gz COFCBLIQODOCIB-JKSUJKDBSA-N 1 0 471.628 -0.086 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCN1CCCS1(=O)=O ZINC001288806815 1069877535 /nfs/dbraw/zinc/87/75/35/1069877535.db2.gz NKTRPQUXEWXGOV-HRCADAONSA-N 1 0 475.641 -0.403 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCN1CCCS1(=O)=O ZINC001288806816 1069877365 /nfs/dbraw/zinc/87/73/65/1069877365.db2.gz NKTRPQUXEWXGOV-JYJNAYRXSA-N 1 0 475.641 -0.403 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCN1CCCS1(=O)=O ZINC001288806817 1069878552 /nfs/dbraw/zinc/87/85/52/1069878552.db2.gz NKTRPQUXEWXGOV-OWCLPIDISA-N 1 0 475.641 -0.403 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCN1CCCS1(=O)=O ZINC001288806818 1069878410 /nfs/dbraw/zinc/87/84/10/1069878410.db2.gz NKTRPQUXEWXGOV-PMPSAXMXSA-N 1 0 475.641 -0.403 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001288815397 1069879194 /nfs/dbraw/zinc/87/91/94/1069879194.db2.gz IHAWWKATIBNUDG-CVEARBPZSA-N 1 0 469.612 -0.155 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001288815398 1069879163 /nfs/dbraw/zinc/87/91/63/1069879163.db2.gz IHAWWKATIBNUDG-HOTGVXAUSA-N 1 0 469.612 -0.155 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001288815399 1069879254 /nfs/dbraw/zinc/87/92/54/1069879254.db2.gz IHAWWKATIBNUDG-HZPDHXFCSA-N 1 0 469.612 -0.155 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001288815400 1069879057 /nfs/dbraw/zinc/87/90/57/1069879057.db2.gz IHAWWKATIBNUDG-JKSUJKDBSA-N 1 0 469.612 -0.155 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCCS(C)(=O)=O ZINC001288817499 1069879747 /nfs/dbraw/zinc/87/97/47/1069879747.db2.gz KRMHNQYFBYPREG-INIZCTEOSA-N 1 0 492.668 -0.128 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCCS(C)(=O)=O ZINC001288817503 1069879705 /nfs/dbraw/zinc/87/97/05/1069879705.db2.gz KRMHNQYFBYPREG-MRXNPFEDSA-N 1 0 492.668 -0.128 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001288819512 1069880587 /nfs/dbraw/zinc/88/05/87/1069880587.db2.gz VHZZEZJSAIGPRX-MOPGFXCFSA-N 1 0 499.682 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471.628 -0.350 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288820411 1069880910 /nfs/dbraw/zinc/88/09/10/1069880910.db2.gz YPLOBXYQZOLOQH-QRWLVFNGSA-N 1 0 471.628 -0.350 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288820413 1069881066 /nfs/dbraw/zinc/88/10/66/1069881066.db2.gz YPLOBXYQZOLOQH-YWZLYKJASA-N 1 0 471.628 -0.350 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCNS(C)(=O)=O ZINC001288826308 1069881563 /nfs/dbraw/zinc/88/15/63/1069881563.db2.gz QCNMTMOJVZVJBR-CABCVRRESA-N 1 0 463.630 -0.498 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCNS(C)(=O)=O ZINC001288826309 1069881830 /nfs/dbraw/zinc/88/18/30/1069881830.db2.gz QCNMTMOJVZVJBR-GJZGRUSLSA-N 1 0 463.630 -0.498 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCNS(C)(=O)=O ZINC001288826310 1069881783 /nfs/dbraw/zinc/88/17/83/1069881783.db2.gz QCNMTMOJVZVJBR-HUUCEWRRSA-N 1 0 463.630 -0.498 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCNS(C)(=O)=O ZINC001288826311 1069881654 /nfs/dbraw/zinc/88/16/54/1069881654.db2.gz QCNMTMOJVZVJBR-LSDHHAIUSA-N 1 0 463.630 -0.498 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001288830357 1069883342 /nfs/dbraw/zinc/88/33/42/1069883342.db2.gz PGDHFSNCVJABBF-BBRMVZONSA-N 1 0 477.657 -0.254 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001288830358 1069883176 /nfs/dbraw/zinc/88/31/76/1069883176.db2.gz PGDHFSNCVJABBF-CJNGLKHVSA-N 1 0 477.657 -0.254 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001288830359 1069883449 /nfs/dbraw/zinc/88/34/49/1069883449.db2.gz PGDHFSNCVJABBF-CZUORRHYSA-N 1 0 477.657 -0.254 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001288830360 1069883237 /nfs/dbraw/zinc/88/32/37/1069883237.db2.gz PGDHFSNCVJABBF-XJKSGUPXSA-N 1 0 477.657 -0.254 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[NH+]1CCCCC1 ZINC001288835176 1069885861 /nfs/dbraw/zinc/88/58/61/1069885861.db2.gz WABDCAPUNGUVEW-HNNXBMFYSA-N 1 0 482.611 -0.105 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[NH+]1CCCCC1 ZINC001288835177 1069885358 /nfs/dbraw/zinc/88/53/58/1069885358.db2.gz WABDCAPUNGUVEW-OAHLLOKOSA-N 1 0 482.611 -0.105 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001288835744 1069885395 /nfs/dbraw/zinc/88/53/95/1069885395.db2.gz YXWQPDGNFVOYJN-CSODHUTKSA-N 1 0 483.639 -0.016 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001288835745 1069885717 /nfs/dbraw/zinc/88/57/17/1069885717.db2.gz YXWQPDGNFVOYJN-FIKGOQFSSA-N 1 0 483.639 -0.016 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001288835746 1069885884 /nfs/dbraw/zinc/88/58/84/1069885884.db2.gz YXWQPDGNFVOYJN-FVJLSDCUSA-N 1 0 483.639 -0.016 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001288835747 1069885595 /nfs/dbraw/zinc/88/55/95/1069885595.db2.gz YXWQPDGNFVOYJN-XGHQBKJUSA-N 1 0 483.639 -0.016 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001288840154 1069885771 /nfs/dbraw/zinc/88/57/71/1069885771.db2.gz GCFYYRKCXXWWOQ-AEFFLSMTSA-N 1 0 484.671 -0.136 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001288840155 1069885430 /nfs/dbraw/zinc/88/54/30/1069885430.db2.gz GCFYYRKCXXWWOQ-FUHWJXTLSA-N 1 0 484.671 -0.136 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001288840156 1069885664 /nfs/dbraw/zinc/88/56/64/1069885664.db2.gz GCFYYRKCXXWWOQ-SJLPKXTDSA-N 1 0 484.671 -0.136 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001288840157 1069885929 /nfs/dbraw/zinc/88/59/29/1069885929.db2.gz GCFYYRKCXXWWOQ-WMZOPIPTSA-N 1 0 484.671 -0.136 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288854628 1069888501 /nfs/dbraw/zinc/88/85/01/1069888501.db2.gz ASZXAKGCEVIHLE-CKJXQJPGSA-N 1 0 496.638 -0.891 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288854630 1069888242 /nfs/dbraw/zinc/88/82/42/1069888242.db2.gz ASZXAKGCEVIHLE-GCKMJXCFSA-N 1 0 496.638 -0.891 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288854633 1069888051 /nfs/dbraw/zinc/88/80/51/1069888051.db2.gz ASZXAKGCEVIHLE-MRUHUIDDSA-N 1 0 496.638 -0.891 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288854635 1069888383 /nfs/dbraw/zinc/88/83/83/1069888383.db2.gz ASZXAKGCEVIHLE-QYWGDWMGSA-N 1 0 496.638 -0.891 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[NH+]1CCCCC1 ZINC001288854775 1069888122 /nfs/dbraw/zinc/88/81/22/1069888122.db2.gz BODOVLDXNHLPOY-GOSISDBHSA-N 1 0 498.654 -0.052 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[NH+]1CCCCC1 ZINC001288854778 1069888138 /nfs/dbraw/zinc/88/81/38/1069888138.db2.gz BODOVLDXNHLPOY-SFHVURJKSA-N 1 0 498.654 -0.052 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001288854987 1069888191 /nfs/dbraw/zinc/88/81/91/1069888191.db2.gz CCHWLBVZXLETLQ-CVEARBPZSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001288854988 1069888360 /nfs/dbraw/zinc/88/83/60/1069888360.db2.gz CCHWLBVZXLETLQ-HOTGVXAUSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001288854989 1069887838 /nfs/dbraw/zinc/88/78/38/1069887838.db2.gz CCHWLBVZXLETLQ-HZPDHXFCSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001288854990 1069887900 /nfs/dbraw/zinc/88/79/00/1069887900.db2.gz CCHWLBVZXLETLQ-JKSUJKDBSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CCOC1 ZINC001288855019 1069889164 /nfs/dbraw/zinc/88/91/64/1069889164.db2.gz CQRXLSOSIABYRY-HLIPFELVSA-N 1 0 472.612 -0.412 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CCOC1 ZINC001288855020 1069888860 /nfs/dbraw/zinc/88/88/60/1069888860.db2.gz CQRXLSOSIABYRY-MBOZVWFJSA-N 1 0 472.612 -0.412 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CCOC1 ZINC001288855021 1069889122 /nfs/dbraw/zinc/88/91/22/1069889122.db2.gz CQRXLSOSIABYRY-QKLQHJQFSA-N 1 0 472.612 -0.412 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CCOC1 ZINC001288855022 1069889346 /nfs/dbraw/zinc/88/93/46/1069889346.db2.gz CQRXLSOSIABYRY-SQGPQFPESA-N 1 0 472.612 -0.412 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC[NH+]1CCCC1 ZINC001288855464 1069888974 /nfs/dbraw/zinc/88/89/74/1069888974.db2.gz FYSALHFJTOVTNX-DLBZAZTESA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC[NH+]1CCCC1 ZINC001288855465 1069889326 /nfs/dbraw/zinc/88/93/26/1069889326.db2.gz FYSALHFJTOVTNX-IAGOWNOFSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC[NH+]1CCCC1 ZINC001288855467 1069888837 /nfs/dbraw/zinc/88/88/37/1069888837.db2.gz FYSALHFJTOVTNX-IRXDYDNUSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC[NH+]1CCCC1 ZINC001288855468 1069889456 /nfs/dbraw/zinc/88/94/56/1069889456.db2.gz FYSALHFJTOVTNX-SJORKVTESA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC1(O)CCOCC1 ZINC001288855638 1069888747 /nfs/dbraw/zinc/88/87/47/1069888747.db2.gz GXWCCRRZSJYDJQ-DLBZAZTESA-N 1 0 499.638 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IDYLODXIIQQBHU-YESZJQIVSA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1cnn(C)c1 ZINC001288855931 1069889828 /nfs/dbraw/zinc/88/98/28/1069889828.db2.gz IZXPPQUSUVJVEL-DOTOQJQBSA-N 1 0 479.611 -0.587 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1cnn(C)c1 ZINC001288855942 1069889972 /nfs/dbraw/zinc/88/99/72/1069889972.db2.gz IZXPPQUSUVJVEL-NVXWUHKLSA-N 1 0 479.611 -0.587 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1cnn(C)c1 ZINC001288855945 1069890044 /nfs/dbraw/zinc/89/00/44/1069890044.db2.gz IZXPPQUSUVJVEL-RDJZCZTQSA-N 1 0 479.611 -0.587 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1cnn(C)c1 ZINC001288855947 1069890310 /nfs/dbraw/zinc/89/03/10/1069890310.db2.gz IZXPPQUSUVJVEL-WBVHZDCISA-N 1 0 479.611 -0.587 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H]1COCCO1 ZINC001288856034 1069890378 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001288856094 1069889807 /nfs/dbraw/zinc/88/98/07/1069889807.db2.gz LVSVPBRKPUMODA-NYUBLWNDSA-N 1 0 486.639 -0.023 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CCO[C@H]1C ZINC001288856097 1069890110 /nfs/dbraw/zinc/89/01/10/1069890110.db2.gz LVSVPBRKPUMODA-RYLXDESZSA-N 1 0 486.639 -0.023 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CCO[C@@H]1C ZINC001288856100 1069889771 /nfs/dbraw/zinc/88/97/71/1069889771.db2.gz LVSVPBRKPUMODA-TWFHAPMSSA-N 1 0 486.639 -0.023 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288856604 1069891019 /nfs/dbraw/zinc/89/10/19/1069891019.db2.gz PUVYWFSMJGRVSO-HZUJVAHNSA-N 1 0 483.639 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288856605 1069891268 /nfs/dbraw/zinc/89/12/68/1069891268.db2.gz PUVYWFSMJGRVSO-LUQKVYGDSA-N 1 0 483.639 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@](C)(O)C1CC1 ZINC001288856606 1069891109 /nfs/dbraw/zinc/89/11/09/1069891109.db2.gz PUVYWFSMJGRVSO-WJPUGNRLSA-N 1 0 483.639 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@](C)(O)C1CC1 ZINC001288856607 1069890879 /nfs/dbraw/zinc/89/08/79/1069890879.db2.gz PUVYWFSMJGRVSO-XPIZARPCSA-N 1 0 483.639 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1cnn(C)c1 ZINC001288856890 1069891158 /nfs/dbraw/zinc/89/11/58/1069891158.db2.gz QJAAWNGLERCTKE-INIZCTEOSA-N 1 0 479.611 -0.586 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1cnn(C)c1 ZINC001288856891 1069890832 /nfs/dbraw/zinc/89/08/32/1069890832.db2.gz QJAAWNGLERCTKE-MRXNPFEDSA-N 1 0 479.611 -0.586 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001288857055 1069892204 /nfs/dbraw/zinc/89/22/04/1069892204.db2.gz SIEQNGTZRPVNFE-CABCVRRESA-N 1 0 493.581 -0.182 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001288857056 1069892032 /nfs/dbraw/zinc/89/20/32/1069892032.db2.gz SIEQNGTZRPVNFE-GJZGRUSLSA-N 1 0 493.581 -0.182 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1COCCO1 ZINC001288857267 1069892097 /nfs/dbraw/zinc/89/20/97/1069892097.db2.gz URBXFWFDAAFLOE-KZNAEPCWSA-N 1 0 472.612 -0.148 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1COCCO1 ZINC001288857268 1069891951 /nfs/dbraw/zinc/89/19/51/1069891951.db2.gz URBXFWFDAAFLOE-RCCFBDPRSA-N 1 0 472.612 -0.148 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001288857323 1069891800 /nfs/dbraw/zinc/89/18/00/1069891800.db2.gz VQCMSUIAXIDVAW-QZTJIDSGSA-N 1 0 499.638 -0.704 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001288857324 1069891701 /nfs/dbraw/zinc/89/17/01/1069891701.db2.gz VQCMSUIAXIDVAW-ZWKOTPCHSA-N 1 0 499.638 -0.704 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288857421 1069893099 /nfs/dbraw/zinc/89/30/99/1069893099.db2.gz XUGQPHJHORXJIX-HRAATJIYSA-N 1 0 496.638 -0.889 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288857422 1069892933 /nfs/dbraw/zinc/89/29/33/1069892933.db2.gz XUGQPHJHORXJIX-IERDGZPVSA-N 1 0 496.638 -0.889 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001288857423 1069892525 /nfs/dbraw/zinc/89/25/25/1069892525.db2.gz XUGQPHJHORXJIX-IIBYNOLFSA-N 1 0 496.638 -0.889 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001288857424 1069892650 /nfs/dbraw/zinc/89/26/50/1069892650.db2.gz XUGQPHJHORXJIX-KKSFZXQISA-N 1 0 496.638 -0.889 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC1(O)CCOCC1 ZINC001288857437 1069892610 /nfs/dbraw/zinc/89/26/10/1069892610.db2.gz XYFKENOBNULWPP-KRWDZBQOSA-N 1 0 499.638 -0.826 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC1(O)CCOCC1 ZINC001288857438 1069893036 /nfs/dbraw/zinc/89/30/36/1069893036.db2.gz XYFKENOBNULWPP-QGZVFWFLSA-N 1 0 499.638 -0.826 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288857495 1069892772 /nfs/dbraw/zinc/89/27/72/1069892772.db2.gz ZAZFNPJVFSAYDW-HRAATJIYSA-N 1 0 483.639 -0.206 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001288857496 1069892585 /nfs/dbraw/zinc/89/25/85/1069892585.db2.gz ZAZFNPJVFSAYDW-IERDGZPVSA-N 1 0 483.639 -0.206 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001288857497 1069892882 /nfs/dbraw/zinc/89/28/82/1069892882.db2.gz ZAZFNPJVFSAYDW-IIBYNOLFSA-N 1 0 483.639 -0.206 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001288857498 1069892710 /nfs/dbraw/zinc/89/27/10/1069892710.db2.gz ZAZFNPJVFSAYDW-KKSFZXQISA-N 1 0 483.639 -0.206 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001288859448 1069894339 /nfs/dbraw/zinc/89/43/39/1069894339.db2.gz LBUYRPCCEMVNDI-CVEARBPZSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001288859450 1069894673 /nfs/dbraw/zinc/89/46/73/1069894673.db2.gz LBUYRPCCEMVNDI-HOTGVXAUSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001288859452 1069894610 /nfs/dbraw/zinc/89/46/10/1069894610.db2.gz LBUYRPCCEMVNDI-HZPDHXFCSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001288859453 1069894819 /nfs/dbraw/zinc/89/48/19/1069894819.db2.gz LBUYRPCCEMVNDI-JKSUJKDBSA-N 1 0 484.627 -0.891 20 0 JBADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 ZINC001288860699 1069894568 /nfs/dbraw/zinc/89/45/68/1069894568.db2.gz SVNHLBMVBMTEHJ-HNNXBMFYSA-N 1 0 463.630 -0.546 20 0 JBADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 ZINC001288860700 1069894454 /nfs/dbraw/zinc/89/44/54/1069894454.db2.gz SVNHLBMVBMTEHJ-OAHLLOKOSA-N 1 0 463.630 -0.546 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001288861139 1069895372 /nfs/dbraw/zinc/89/53/72/1069895372.db2.gz YENLFNYYERBHFZ-BBWFWOEESA-N 1 0 471.628 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001288861140 1069895101 /nfs/dbraw/zinc/89/51/01/1069895101.db2.gz YENLFNYYERBHFZ-GVDBMIGSSA-N 1 0 471.628 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001288861141 1069895586 /nfs/dbraw/zinc/89/55/86/1069895586.db2.gz YENLFNYYERBHFZ-ULQDDVLXSA-N 1 0 471.628 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001288861142 1069895674 /nfs/dbraw/zinc/89/56/74/1069895674.db2.gz YENLFNYYERBHFZ-YESZJQIVSA-N 1 0 471.628 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001288861747 1069896006 /nfs/dbraw/zinc/89/60/06/1069896006.db2.gz CUPIIZXQHHQULK-KRWDZBQOSA-N 1 0 470.644 -0.416 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001288861748 1069896321 /nfs/dbraw/zinc/89/63/21/1069896321.db2.gz CUPIIZXQHHQULK-QGZVFWFLSA-N 1 0 470.644 -0.416 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H]1COCCO1 ZINC001288861937 1069896384 /nfs/dbraw/zinc/89/63/84/1069896384.db2.gz GGJZTYYAKWEPKL-DOTOQJQBSA-N 1 0 458.585 -0.395 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H]1COCCO1 ZINC001288861940 1069896435 /nfs/dbraw/zinc/89/64/35/1069896435.db2.gz GGJZTYYAKWEPKL-NVXWUHKLSA-N 1 0 458.585 -0.395 20 0 JBADRO CC(C)[NH+]1CCC(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)CC1 ZINC001288862079 1069896976 /nfs/dbraw/zinc/89/69/76/1069896976.db2.gz HDBJHUUJLPGZCK-KRWDZBQOSA-N 1 0 484.671 -0.029 20 0 JBADRO CC(C)[NH+]1CCC(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)CC1 ZINC001288862084 1069896874 /nfs/dbraw/zinc/89/68/74/1069896874.db2.gz HDBJHUUJLPGZCK-QGZVFWFLSA-N 1 0 484.671 -0.029 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001288862142 1069896760 /nfs/dbraw/zinc/89/67/60/1069896760.db2.gz HLAXTALWPXHBEM-CABCVRRESA-N 1 0 456.617 -0.761 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001288862143 1069897135 /nfs/dbraw/zinc/89/71/35/1069897135.db2.gz HLAXTALWPXHBEM-GJZGRUSLSA-N 1 0 456.617 -0.761 20 0 JBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001288862144 1069896998 /nfs/dbraw/zinc/89/69/98/1069896998.db2.gz HLAXTALWPXHBEM-HUUCEWRRSA-N 1 0 456.617 -0.761 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001288862145 1069896790 /nfs/dbraw/zinc/89/67/90/1069896790.db2.gz HLAXTALWPXHBEM-LSDHHAIUSA-N 1 0 456.617 -0.761 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001288862182 1069897175 /nfs/dbraw/zinc/89/71/75/1069897175.db2.gz HSNRVVOKUVDLCK-CVEARBPZSA-N 1 0 479.611 -0.041 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001288862186 1069897080 /nfs/dbraw/zinc/89/70/80/1069897080.db2.gz HSNRVVOKUVDLCK-HOTGVXAUSA-N 1 0 479.611 -0.041 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001288862189 1069896907 /nfs/dbraw/zinc/89/69/07/1069896907.db2.gz HSNRVVOKUVDLCK-HZPDHXFCSA-N 1 0 479.611 -0.041 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001288862192 1069897028 /nfs/dbraw/zinc/89/70/28/1069897028.db2.gz HSNRVVOKUVDLCK-JKSUJKDBSA-N 1 0 479.611 -0.041 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001288862209 1069896814 /nfs/dbraw/zinc/89/68/14/1069896814.db2.gz HWTHWSHRWMVIMQ-MSOLQXFVSA-N 1 0 484.671 -0.027 20 0 JBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001288862211 1069897061 /nfs/dbraw/zinc/89/70/61/1069897061.db2.gz HWTHWSHRWMVIMQ-QZTJIDSGSA-N 1 0 484.671 -0.027 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001288862213 1069896845 /nfs/dbraw/zinc/89/68/45/1069896845.db2.gz HWTHWSHRWMVIMQ-ROUUACIJSA-N 1 0 484.671 -0.027 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001288862215 1069897211 /nfs/dbraw/zinc/89/72/11/1069897211.db2.gz HWTHWSHRWMVIMQ-ZWKOTPCHSA-N 1 0 484.671 -0.027 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001288862259 1069897668 /nfs/dbraw/zinc/89/76/68/1069897668.db2.gz IJOBXWKHNZWUFX-GOSISDBHSA-N 1 0 484.671 -0.027 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001288862261 1069897741 /nfs/dbraw/zinc/89/77/41/1069897741.db2.gz IJOBXWKHNZWUFX-SFHVURJKSA-N 1 0 484.671 -0.027 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001288862362 1069897797 /nfs/dbraw/zinc/89/77/97/1069897797.db2.gz JEGDLLUXHDLNJV-DOTOQJQBSA-N 1 0 470.644 -0.561 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001288862366 1069897717 /nfs/dbraw/zinc/89/77/17/1069897717.db2.gz JEGDLLUXHDLNJV-NVXWUHKLSA-N 1 0 470.644 -0.561 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001288862368 1069897775 /nfs/dbraw/zinc/89/77/75/1069897775.db2.gz JEGDLLUXHDLNJV-RDJZCZTQSA-N 1 0 470.644 -0.561 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001288862371 1069897813 /nfs/dbraw/zinc/89/78/13/1069897813.db2.gz JEGDLLUXHDLNJV-WBVHZDCISA-N 1 0 470.644 -0.561 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001288862588 1069897887 /nfs/dbraw/zinc/89/78/87/1069897887.db2.gz JWOFVWMUOSFTFU-AWEZNQCLSA-N 1 0 463.630 -0.546 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCS(=O)(=O)N(C)C ZINC001288862589 1069897555 /nfs/dbraw/zinc/89/75/55/1069897555.db2.gz JWOFVWMUOSFTFU-CQSZACIVSA-N 1 0 463.630 -0.546 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288863195 1069899557 /nfs/dbraw/zinc/89/95/57/1069899557.db2.gz OIRSLSBYCIFVTQ-JXFKEZNVSA-N 1 0 464.596 -0.324 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288863197 1069898906 /nfs/dbraw/zinc/89/89/06/1069898906.db2.gz OIRSLSBYCIFVTQ-OXJNMPFZSA-N 1 0 464.596 -0.324 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288863199 1069899144 /nfs/dbraw/zinc/89/91/44/1069899144.db2.gz OIRSLSBYCIFVTQ-OXQOHEQNSA-N 1 0 464.596 -0.324 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288863201 1069899488 /nfs/dbraw/zinc/89/94/88/1069899488.db2.gz OIRSLSBYCIFVTQ-UZLBHIALSA-N 1 0 464.596 -0.324 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H]1COCCO1 ZINC001288863429 1069899362 /nfs/dbraw/zinc/89/93/62/1069899362.db2.gz PFKMGQWLVPIBLY-JFIYKMOQSA-N 1 0 472.612 -0.007 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H]1COCCO1 ZINC001288863430 1069899267 /nfs/dbraw/zinc/89/92/67/1069899267.db2.gz PFKMGQWLVPIBLY-SOLBZPMBSA-N 1 0 472.612 -0.007 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(=O)NCC(F)F ZINC001288863503 1069899655 /nfs/dbraw/zinc/89/96/55/1069899655.db2.gz RCHCOBZMMDFBIP-KBPBESRZSA-N 1 0 493.581 -0.041 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(=O)NCC(F)F ZINC001288863504 1069899617 /nfs/dbraw/zinc/89/96/17/1069899617.db2.gz RCHCOBZMMDFBIP-UONOGXRCSA-N 1 0 493.581 -0.041 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001288863899 1069900226 /nfs/dbraw/zinc/90/02/26/1069900226.db2.gz UJEMRJPQPDPOSB-HNNXBMFYSA-N 1 0 490.652 -0.498 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001288863900 1069900258 /nfs/dbraw/zinc/90/02/58/1069900258.db2.gz UJEMRJPQPDPOSB-OAHLLOKOSA-N 1 0 490.652 -0.498 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)N1CCOCC1 ZINC001288864784 1069900196 /nfs/dbraw/zinc/90/01/96/1069900196.db2.gz YSJHMCOJHFONDD-MSOLQXFVSA-N 1 0 485.655 -0.090 20 0 JBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)N1CCOCC1 ZINC001288864786 1069900242 /nfs/dbraw/zinc/90/02/42/1069900242.db2.gz YSJHMCOJHFONDD-QZTJIDSGSA-N 1 0 485.655 -0.090 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)N1CCOCC1 ZINC001288864787 1069900860 /nfs/dbraw/zinc/90/08/60/1069900860.db2.gz YSJHMCOJHFONDD-ROUUACIJSA-N 1 0 485.655 -0.090 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001288864789 1069900899 /nfs/dbraw/zinc/90/08/99/1069900899.db2.gz YSJHMCOJHFONDD-ZWKOTPCHSA-N 1 0 485.655 -0.090 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001288864941 1069900776 /nfs/dbraw/zinc/90/07/76/1069900776.db2.gz ZYRSXKVSRVSIFJ-DLBZAZTESA-N 1 0 482.655 -0.227 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001288864942 1069900804 /nfs/dbraw/zinc/90/08/04/1069900804.db2.gz ZYRSXKVSRVSIFJ-IAGOWNOFSA-N 1 0 482.655 -0.227 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001288864943 1069900911 /nfs/dbraw/zinc/90/09/11/1069900911.db2.gz ZYRSXKVSRVSIFJ-IRXDYDNUSA-N 1 0 482.655 -0.227 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001288864945 1069900823 /nfs/dbraw/zinc/90/08/23/1069900823.db2.gz ZYRSXKVSRVSIFJ-SJORKVTESA-N 1 0 482.655 -0.227 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001288867669 1069900872 /nfs/dbraw/zinc/90/08/72/1069900872.db2.gz ATICFGTUIYYMIR-HNNXBMFYSA-N 1 0 469.612 -0.298 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001288867670 1069900841 /nfs/dbraw/zinc/90/08/41/1069900841.db2.gz ATICFGTUIYYMIR-OAHLLOKOSA-N 1 0 469.612 -0.298 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCC[NH+]1CCCC1 ZINC001288867996 1069901609 /nfs/dbraw/zinc/90/16/09/1069901609.db2.gz CIOJOIOWOBTKCN-HOTGVXAUSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCC[NH+]1CCCC1 ZINC001288867999 1069901453 /nfs/dbraw/zinc/90/14/53/1069901453.db2.gz CIOJOIOWOBTKCN-JKSUJKDBSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001288868275 1069901555 /nfs/dbraw/zinc/90/15/55/1069901555.db2.gz DANZEGCMYRJYRJ-KKUMJFAQSA-N 1 0 466.568 -0.002 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001288868276 1069901507 /nfs/dbraw/zinc/90/15/07/1069901507.db2.gz DANZEGCMYRJYRJ-RRFJBIMHSA-N 1 0 466.568 -0.002 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001288868277 1069901570 /nfs/dbraw/zinc/90/15/70/1069901570.db2.gz DANZEGCMYRJYRJ-SOUVJXGZSA-N 1 0 466.568 -0.002 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001288868278 1069901531 /nfs/dbraw/zinc/90/15/31/1069901531.db2.gz DANZEGCMYRJYRJ-ZNMIVQPWSA-N 1 0 466.568 -0.002 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCOCC[NH+](C)C ZINC001288868501 1069902151 /nfs/dbraw/zinc/90/21/51/1069902151.db2.gz BJQUTHIIXAFFCV-KBXCAEBGSA-N 1 0 459.573 -0.503 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCOCC[NH+](C)C ZINC001288868502 1069902214 /nfs/dbraw/zinc/90/22/14/1069902214.db2.gz BJQUTHIIXAFFCV-KDOFPFPSSA-N 1 0 459.573 -0.503 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCOCC[NH+](C)C ZINC001288868548 1069902264 /nfs/dbraw/zinc/90/22/64/1069902264.db2.gz BJQUTHIIXAFFCV-KSSFIOAISA-N 1 0 459.573 -0.503 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCOCC[NH+](C)C ZINC001288868549 1069902119 /nfs/dbraw/zinc/90/21/19/1069902119.db2.gz BJQUTHIIXAFFCV-RDTXWAMCSA-N 1 0 459.573 -0.503 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCOCCS(C)(=O)=O ZINC001288868951 1069902128 /nfs/dbraw/zinc/90/21/28/1069902128.db2.gz FELRCWAGOOTFQB-CVEARBPZSA-N 1 0 478.641 -0.376 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCOCCS(C)(=O)=O ZINC001288868952 1069902234 /nfs/dbraw/zinc/90/22/34/1069902234.db2.gz FELRCWAGOOTFQB-HOTGVXAUSA-N 1 0 478.641 -0.376 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCOCCS(C)(=O)=O ZINC001288868953 1069902298 /nfs/dbraw/zinc/90/22/98/1069902298.db2.gz FELRCWAGOOTFQB-HZPDHXFCSA-N 1 0 478.641 -0.376 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCOCCS(C)(=O)=O ZINC001288868954 1069902319 /nfs/dbraw/zinc/90/23/19/1069902319.db2.gz FELRCWAGOOTFQB-JKSUJKDBSA-N 1 0 478.641 -0.376 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869463 1069902769 /nfs/dbraw/zinc/90/27/69/1069902769.db2.gz HVRHJXLLUHTLIJ-MSOLQXFVSA-N 1 0 471.628 -0.479 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869466 1069902962 /nfs/dbraw/zinc/90/29/62/1069902962.db2.gz HVRHJXLLUHTLIJ-QZTJIDSGSA-N 1 0 471.628 -0.479 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869469 1069902742 /nfs/dbraw/zinc/90/27/42/1069902742.db2.gz HVRHJXLLUHTLIJ-ROUUACIJSA-N 1 0 471.628 -0.479 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869471 1069902902 /nfs/dbraw/zinc/90/29/02/1069902902.db2.gz HVRHJXLLUHTLIJ-ZWKOTPCHSA-N 1 0 471.628 -0.479 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869985 1069903592 /nfs/dbraw/zinc/90/35/92/1069903592.db2.gz LNZIZPAMWISHCW-CVEARBPZSA-N 1 0 469.612 -0.454 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869986 1069903531 /nfs/dbraw/zinc/90/35/31/1069903531.db2.gz LNZIZPAMWISHCW-HOTGVXAUSA-N 1 0 469.612 -0.454 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869987 1069903618 /nfs/dbraw/zinc/90/36/18/1069903618.db2.gz LNZIZPAMWISHCW-HZPDHXFCSA-N 1 0 469.612 -0.454 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001288869988 1069903583 /nfs/dbraw/zinc/90/35/83/1069903583.db2.gz LNZIZPAMWISHCW-JKSUJKDBSA-N 1 0 469.612 -0.454 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001288869997 1069903664 /nfs/dbraw/zinc/90/36/64/1069903664.db2.gz LUJMWCIYWAXJDB-KBPBESRZSA-N 1 0 497.544 -0.275 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001288869998 1069903483 /nfs/dbraw/zinc/90/34/83/1069903483.db2.gz LUJMWCIYWAXJDB-KGLIPLIRSA-N 1 0 497.544 -0.275 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001288869999 1069903635 /nfs/dbraw/zinc/90/36/35/1069903635.db2.gz LUJMWCIYWAXJDB-UONOGXRCSA-N 1 0 497.544 -0.275 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001288870000 1069903564 /nfs/dbraw/zinc/90/35/64/1069903564.db2.gz LUJMWCIYWAXJDB-ZIAGYGMSSA-N 1 0 497.544 -0.275 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001288870009 1069903513 /nfs/dbraw/zinc/90/35/13/1069903513.db2.gz LSPFWXOEHKRKER-CABCVRRESA-N 1 0 471.584 -0.360 20 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475.685 -0.269 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001288879621 1069908277 /nfs/dbraw/zinc/90/82/77/1069908277.db2.gz HJTLTAFKDYSEKZ-MRXNPFEDSA-N 1 0 475.685 -0.269 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001288880214 1069908204 /nfs/dbraw/zinc/90/82/04/1069908204.db2.gz MULHJHNPSFUILI-AWEZNQCLSA-N 1 0 460.626 -0.003 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001288880215 1069908340 /nfs/dbraw/zinc/90/83/40/1069908340.db2.gz MULHJHNPSFUILI-CQSZACIVSA-N 1 0 460.626 -0.003 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001288880300 1069908218 /nfs/dbraw/zinc/90/82/18/1069908218.db2.gz OLQZZYPKHKUEHT-CVEARBPZSA-N 1 0 462.642 -0.306 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001288880301 1069909032 /nfs/dbraw/zinc/90/90/32/1069909032.db2.gz OLQZZYPKHKUEHT-HOTGVXAUSA-N 1 0 462.642 -0.306 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001288880302 1069909111 /nfs/dbraw/zinc/90/91/11/1069909111.db2.gz OLQZZYPKHKUEHT-HZPDHXFCSA-N 1 0 462.642 -0.306 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001288880303 1069908253 /nfs/dbraw/zinc/90/82/53/1069908253.db2.gz OLQZZYPKHKUEHT-JKSUJKDBSA-N 1 0 462.642 -0.306 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001288880783 1069909053 /nfs/dbraw/zinc/90/90/53/1069909053.db2.gz SZIBMJDWMFMAOY-INIZCTEOSA-N 1 0 490.652 -0.232 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001288880784 1069909077 /nfs/dbraw/zinc/90/90/77/1069909077.db2.gz SZIBMJDWMFMAOY-MRXNPFEDSA-N 1 0 490.652 -0.232 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[NH+]1CCSCC1 ZINC001288882684 1069909772 /nfs/dbraw/zinc/90/97/72/1069909772.db2.gz BWJCYLGCYYMPCR-HRCADAONSA-N 1 0 471.653 -0.006 20 0 JBADRO 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OFKBGHMINCPTRA-YJBOKZPZSA-N 1 0 493.638 -0.279 20 0 JBADRO Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001290280322 1069917167 /nfs/dbraw/zinc/91/71/67/1069917167.db2.gz VFALVKJKXGIZGG-MSOLQXFVSA-N 1 0 493.638 -0.164 20 0 JBADRO Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001290280323 1069917032 /nfs/dbraw/zinc/91/70/32/1069917032.db2.gz VFALVKJKXGIZGG-QZTJIDSGSA-N 1 0 493.638 -0.164 20 0 JBADRO Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001290280324 1069917110 /nfs/dbraw/zinc/91/71/10/1069917110.db2.gz VFALVKJKXGIZGG-ROUUACIJSA-N 1 0 493.638 -0.164 20 0 JBADRO Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001290280325 1069917813 /nfs/dbraw/zinc/91/78/13/1069917813.db2.gz VFALVKJKXGIZGG-ZWKOTPCHSA-N 1 0 493.638 -0.164 20 0 JBADRO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCOCC3)CC2)n[nH]1 ZINC001290449652 1069918368 /nfs/dbraw/zinc/91/83/68/1069918368.db2.gz XYZMUAZSRFDNHG-AWEZNQCLSA-N 1 0 467.600 -0.141 20 0 JBADRO Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCOCC3)CC2)n[nH]1 ZINC001290449660 1069918384 /nfs/dbraw/zinc/91/83/84/1069918384.db2.gz XYZMUAZSRFDNHG-CQSZACIVSA-N 1 0 467.600 -0.141 20 0 JBADRO Cc1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001290470045 1069919333 /nfs/dbraw/zinc/91/93/33/1069919333.db2.gz YFZNJTSSWOUFGS-UHFFFAOYSA-N 1 0 466.612 -0.014 20 0 JBADRO Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001290521930 1069919341 /nfs/dbraw/zinc/91/93/41/1069919341.db2.gz QOOBBNUUMSXXGB-AEFFLSMTSA-N 1 0 493.638 -0.164 20 0 JBADRO Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001290521931 1069919247 /nfs/dbraw/zinc/91/92/47/1069919247.db2.gz QOOBBNUUMSXXGB-FUHWJXTLSA-N 1 0 493.638 -0.164 20 0 JBADRO Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001290521932 1069919124 /nfs/dbraw/zinc/91/91/24/1069919124.db2.gz QOOBBNUUMSXXGB-SJLPKXTDSA-N 1 0 493.638 -0.164 20 0 JBADRO Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001290521933 1069919272 /nfs/dbraw/zinc/91/92/72/1069919272.db2.gz QOOBBNUUMSXXGB-WMZOPIPTSA-N 1 0 493.638 -0.164 20 0 JBADRO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n(C)n1 ZINC001290564943 1069920482 /nfs/dbraw/zinc/92/04/82/1069920482.db2.gz SSGQEZCGMPCTFE-AEFFLSMTSA-N 1 0 493.638 -0.279 20 0 JBADRO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n(C)n1 ZINC001290564944 1069920602 /nfs/dbraw/zinc/92/06/02/1069920602.db2.gz SSGQEZCGMPCTFE-FUHWJXTLSA-N 1 0 493.638 -0.279 20 0 JBADRO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n(C)n1 ZINC001290564946 1069920749 /nfs/dbraw/zinc/92/07/49/1069920749.db2.gz SSGQEZCGMPCTFE-SJLPKXTDSA-N 1 0 493.638 -0.279 20 0 JBADRO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n(C)n1 ZINC001290564948 1069920674 /nfs/dbraw/zinc/92/06/74/1069920674.db2.gz SSGQEZCGMPCTFE-WMZOPIPTSA-N 1 0 493.638 -0.279 20 0 JBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)CC2)CC1 ZINC001290817908 1069923794 /nfs/dbraw/zinc/92/37/94/1069923794.db2.gz NHDORIRYQHZADL-UHFFFAOYSA-N 1 0 451.597 -0.917 20 0 JBADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001290851047 1069924435 /nfs/dbraw/zinc/92/44/35/1069924435.db2.gz SHQNNGRLRFBPIF-GOSISDBHSA-N 1 0 463.583 -0.405 20 0 JBADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001290851048 1069924328 /nfs/dbraw/zinc/92/43/28/1069924328.db2.gz SHQNNGRLRFBPIF-SFHVURJKSA-N 1 0 463.583 -0.405 20 0 JBADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001290851358 1069924324 /nfs/dbraw/zinc/92/43/24/1069924324.db2.gz VRNLMTVESABGED-FQEVSTJZSA-N 1 0 451.597 -0.469 20 0 JBADRO Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001290851365 1069924418 /nfs/dbraw/zinc/92/44/18/1069924418.db2.gz VRNLMTVESABGED-HXUWFJFHSA-N 1 0 451.597 -0.469 20 0 JBADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001290982214 1069926907 /nfs/dbraw/zinc/92/69/07/1069926907.db2.gz YSGNJFOTKYOGFT-DJIMGWMZSA-N 1 0 469.612 -0.382 20 0 JBADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001290982215 1069927035 /nfs/dbraw/zinc/92/70/35/1069927035.db2.gz YSGNJFOTKYOGFT-HYVNUMGLSA-N 1 0 469.612 -0.382 20 0 JBADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001290982216 1069927088 /nfs/dbraw/zinc/92/70/88/1069927088.db2.gz YSGNJFOTKYOGFT-OIISXLGYSA-N 1 0 469.612 -0.382 20 0 JBADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001290982217 1069927779 /nfs/dbraw/zinc/92/77/79/1069927779.db2.gz YSGNJFOTKYOGFT-PVAVHDDUSA-N 1 0 469.612 -0.382 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012068 1069927673 /nfs/dbraw/zinc/92/76/73/1069927673.db2.gz UBPPRSXHXYFGJR-FGTMMUONSA-N 1 0 474.610 -0.069 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012069 1069927706 /nfs/dbraw/zinc/92/77/06/1069927706.db2.gz UBPPRSXHXYFGJR-KSZLIROESA-N 1 0 474.610 -0.069 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291012070 1069927721 /nfs/dbraw/zinc/92/77/21/1069927721.db2.gz UBPPRSXHXYFGJR-KURKYZTESA-N 1 0 474.610 -0.069 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291012071 1069927637 /nfs/dbraw/zinc/92/76/37/1069927637.db2.gz UBPPRSXHXYFGJR-KZNAEPCWSA-N 1 0 474.610 -0.069 20 0 JBADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291137938 1069929156 /nfs/dbraw/zinc/92/91/56/1069929156.db2.gz AAMAZKSRGMEQMW-BRWVUGGUSA-N 1 0 490.652 -0.281 20 0 JBADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291137939 1069929011 /nfs/dbraw/zinc/92/90/11/1069929011.db2.gz AAMAZKSRGMEQMW-IKGGRYGDSA-N 1 0 490.652 -0.281 20 0 JBADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291137940 1069929061 /nfs/dbraw/zinc/92/90/61/1069929061.db2.gz AAMAZKSRGMEQMW-IXDOHACOSA-N 1 0 490.652 -0.281 20 0 JBADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291137941 1069929266 /nfs/dbraw/zinc/92/92/66/1069929266.db2.gz AAMAZKSRGMEQMW-ZACQAIPSSA-N 1 0 490.652 -0.281 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291138536 1069929257 /nfs/dbraw/zinc/92/92/57/1069929257.db2.gz LSEVEFJUQAEXAI-BRWVUGGUSA-N 1 0 492.668 -0.035 20 0 JBADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291138537 1069929118 /nfs/dbraw/zinc/92/91/18/1069929118.db2.gz LSEVEFJUQAEXAI-IKGGRYGDSA-N 1 0 492.668 -0.035 20 0 JBADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291138538 1069929229 /nfs/dbraw/zinc/92/92/29/1069929229.db2.gz LSEVEFJUQAEXAI-IXDOHACOSA-N 1 0 492.668 -0.035 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291138539 1069928889 /nfs/dbraw/zinc/92/88/89/1069928889.db2.gz LSEVEFJUQAEXAI-ZACQAIPSSA-N 1 0 492.668 -0.035 20 0 JBADRO CC1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)CC1 ZINC001291182818 1069929644 /nfs/dbraw/zinc/92/96/44/1069929644.db2.gz YFXBUGQQHFNVJM-KRWDZBQOSA-N 1 0 469.612 -0.331 20 0 JBADRO CC1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)CC1 ZINC001291182819 1069929808 /nfs/dbraw/zinc/92/98/08/1069929808.db2.gz YFXBUGQQHFNVJM-QGZVFWFLSA-N 1 0 469.612 -0.331 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291183871 1069929666 /nfs/dbraw/zinc/92/96/66/1069929666.db2.gz HXIWHPBGAXOXIA-INIZCTEOSA-N 1 0 477.657 -0.298 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291183872 1069929746 /nfs/dbraw/zinc/92/97/46/1069929746.db2.gz HXIWHPBGAXOXIA-MRXNPFEDSA-N 1 0 477.657 -0.298 20 0 JBADRO CC1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)CC1 ZINC001291184854 1069929626 /nfs/dbraw/zinc/92/96/26/1069929626.db2.gz MZHJIWAXYISEIM-INIZCTEOSA-N 1 0 455.585 -0.721 20 0 JBADRO CC1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)CC1 ZINC001291184855 1069929818 /nfs/dbraw/zinc/92/98/18/1069929818.db2.gz MZHJIWAXYISEIM-MRXNPFEDSA-N 1 0 455.585 -0.721 20 0 JBADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001291192369 1069931076 /nfs/dbraw/zinc/93/10/76/1069931076.db2.gz JDZFFSOBWNHBFW-CVEARBPZSA-N 1 0 469.612 -0.238 20 0 JBADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001291192370 1069931048 /nfs/dbraw/zinc/93/10/48/1069931048.db2.gz JDZFFSOBWNHBFW-HOTGVXAUSA-N 1 0 469.612 -0.238 20 0 JBADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001291192371 1069931264 /nfs/dbraw/zinc/93/12/64/1069931264.db2.gz JDZFFSOBWNHBFW-HZPDHXFCSA-N 1 0 469.612 -0.238 20 0 JBADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001291192372 1069931311 /nfs/dbraw/zinc/93/13/11/1069931311.db2.gz JDZFFSOBWNHBFW-JKSUJKDBSA-N 1 0 469.612 -0.238 20 0 JBADRO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CCS1 ZINC001291255550 1069934548 /nfs/dbraw/zinc/93/45/48/1069934548.db2.gz JNWDJXMCTSCBGT-IIDMSEBBSA-N 1 0 460.626 -0.381 20 0 JBADRO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CCS1 ZINC001291255551 1069934407 /nfs/dbraw/zinc/93/44/07/1069934407.db2.gz JNWDJXMCTSCBGT-RKVPGOIHSA-N 1 0 460.626 -0.381 20 0 JBADRO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CCS1 ZINC001291255552 1069934449 /nfs/dbraw/zinc/93/44/49/1069934449.db2.gz JNWDJXMCTSCBGT-RVKKMQEKSA-N 1 0 460.626 -0.381 20 0 JBADRO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CCS1 ZINC001291255553 1069934618 /nfs/dbraw/zinc/93/46/18/1069934618.db2.gz JNWDJXMCTSCBGT-VKJFTORMSA-N 1 0 460.626 -0.381 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)[NH+](C)C ZINC001291255692 1069934561 /nfs/dbraw/zinc/93/45/61/1069934561.db2.gz KSTWRUJEWJJGBJ-CLWJZODNSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)[NH+](C)C ZINC001291255693 1069934485 /nfs/dbraw/zinc/93/44/85/1069934485.db2.gz KSTWRUJEWJJGBJ-PDOICOKGSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)[NH+](C)C ZINC001291255694 1069934471 /nfs/dbraw/zinc/93/44/71/1069934471.db2.gz KSTWRUJEWJJGBJ-PFRQMTDMSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)[NH+](C)C ZINC001291255695 1069934585 /nfs/dbraw/zinc/93/45/85/1069934585.db2.gz KSTWRUJEWJJGBJ-WWNBULGVSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287992 1069935860 /nfs/dbraw/zinc/93/58/60/1069935860.db2.gz LITAFWWRMAQHPX-FZKCQIBNSA-N 1 0 457.601 -0.301 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291287993 1069935789 /nfs/dbraw/zinc/93/57/89/1069935789.db2.gz LITAFWWRMAQHPX-LVQVYYBASA-N 1 0 457.601 -0.301 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291287994 1069935764 /nfs/dbraw/zinc/93/57/64/1069935764.db2.gz LITAFWWRMAQHPX-WCVJEAGWSA-N 1 0 457.601 -0.301 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287995 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CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CC2)CC1 ZINC001295480382 1069981743 /nfs/dbraw/zinc/98/17/43/1069981743.db2.gz LKSWLZFYWPYDBJ-OAHLLOKOSA-N 1 0 457.601 -0.596 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001295480590 1069981655 /nfs/dbraw/zinc/98/16/55/1069981655.db2.gz OWPKJUORECJLNY-JOCHJYFZSA-N 1 0 462.599 -0.115 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001295480593 1069981808 /nfs/dbraw/zinc/98/18/08/1069981808.db2.gz OWPKJUORECJLNY-QFIPXVFZSA-N 1 0 462.599 -0.115 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)CC1 ZINC001295480931 1069981850 /nfs/dbraw/zinc/98/18/50/1069981850.db2.gz QOKVDVKGGWCLFD-UHFFFAOYSA-N 1 0 490.609 -0.637 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(C)(=O)=O)CC1 ZINC001295481059 1069981776 /nfs/dbraw/zinc/98/17/76/1069981776.db2.gz SFFGJRZVAHFMNS-UHFFFAOYSA-N 1 0 469.612 -0.451 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 ZINC001295481066 1069981822 /nfs/dbraw/zinc/98/18/22/1069981822.db2.gz SMMSVUAUXTYWPQ-UHFFFAOYSA-N 1 0 470.578 -0.160 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)CC1 ZINC001295482771 1069981878 /nfs/dbraw/zinc/98/18/78/1069981878.db2.gz ZUJJVJXJUVKDNW-UHFFFAOYSA-N 1 0 464.596 -0.120 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCS(C)(=O)=O)CC1 ZINC001295483420 1069981963 /nfs/dbraw/zinc/98/19/63/1069981963.db2.gz FBTWYLMKWSHOEM-UHFFFAOYSA-N 1 0 450.569 -0.230 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001295483828 1069981867 /nfs/dbraw/zinc/98/18/67/1069981867.db2.gz IXIZSXXTXCIGQQ-KRWDZBQOSA-N 1 0 471.628 -0.336 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001295483829 1069981754 /nfs/dbraw/zinc/98/17/54/1069981754.db2.gz IXIZSXXTXCIGQQ-QGZVFWFLSA-N 1 0 471.628 -0.336 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 ZINC001295484492 1069981902 /nfs/dbraw/zinc/98/19/02/1069981902.db2.gz OMISXKPSXPBRHM-INIZCTEOSA-N 1 0 469.612 -0.741 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 ZINC001295484494 1069981725 /nfs/dbraw/zinc/98/17/25/1069981725.db2.gz OMISXKPSXPBRHM-MRXNPFEDSA-N 1 0 469.612 -0.741 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)CC1 ZINC001295484502 1069981946 /nfs/dbraw/zinc/98/19/46/1069981946.db2.gz OOPWNNPNVUEGKU-KRWDZBQOSA-N 1 0 460.583 -0.254 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)CC1 ZINC001295484503 1069982508 /nfs/dbraw/zinc/98/25/08/1069982508.db2.gz OOPWNNPNVUEGKU-QGZVFWFLSA-N 1 0 460.583 -0.254 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001295484702 1069982641 /nfs/dbraw/zinc/98/26/41/1069982641.db2.gz QMOLZKDVBMKCPT-HTAPYJJXSA-N 1 0 495.650 -0.351 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001295484703 1069982494 /nfs/dbraw/zinc/98/24/94/1069982494.db2.gz QMOLZKDVBMKCPT-JTSKRJEESA-N 1 0 495.650 -0.351 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001295484704 1069982396 /nfs/dbraw/zinc/98/23/96/1069982396.db2.gz QMOLZKDVBMKCPT-VGOFRKELSA-N 1 0 495.650 -0.351 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001295484706 1069982703 /nfs/dbraw/zinc/98/27/03/1069982703.db2.gz QMOLZKDVBMKCPT-VGSWGCGISA-N 1 0 495.650 -0.351 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN2CCCS2(=O)=O)CC1 ZINC001295485109 1069982648 /nfs/dbraw/zinc/98/26/48/1069982648.db2.gz TVBXUTKNXKBWGF-UHFFFAOYSA-N 1 0 491.622 -0.239 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001295490929 1069982579 /nfs/dbraw/zinc/98/25/79/1069982579.db2.gz JQHVMJZVPBLFPM-DLBZAZTESA-N 1 0 481.623 -0.551 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001295490930 1069982519 /nfs/dbraw/zinc/98/25/19/1069982519.db2.gz JQHVMJZVPBLFPM-IAGOWNOFSA-N 1 0 481.623 -0.551 20 0 JBADRO NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001295498590 1069982629 /nfs/dbraw/zinc/98/26/29/1069982629.db2.gz WJFUUVBIZUNTMI-KRWDZBQOSA-N 1 0 452.939 -0.001 20 0 JBADRO NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001295498591 1069982463 /nfs/dbraw/zinc/98/24/63/1069982463.db2.gz WJFUUVBIZUNTMI-QGZVFWFLSA-N 1 0 452.939 -0.001 20 0 JBADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001295524269 1069982441 /nfs/dbraw/zinc/98/24/41/1069982441.db2.gz GZMQDOPBNXWCSK-INIZCTEOSA-N 1 0 469.550 -0.196 20 0 JBADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001295524270 1069982409 /nfs/dbraw/zinc/98/24/09/1069982409.db2.gz GZMQDOPBNXWCSK-MRXNPFEDSA-N 1 0 469.550 -0.196 20 0 JBADRO CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001295540452 1069982717 /nfs/dbraw/zinc/98/27/17/1069982717.db2.gz BTNBHVCZFQXKND-MOPGFXCFSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001295540453 1069982546 /nfs/dbraw/zinc/98/25/46/1069982546.db2.gz BTNBHVCZFQXKND-OALUTQOASA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001295540454 1069982605 /nfs/dbraw/zinc/98/26/05/1069982605.db2.gz BTNBHVCZFQXKND-RBUKOAKNSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001295540455 1069982677 /nfs/dbraw/zinc/98/26/77/1069982677.db2.gz BTNBHVCZFQXKND-RTBURBONSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+](CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001295550389 1069982451 /nfs/dbraw/zinc/98/24/51/1069982451.db2.gz FCAXHCQTBHTGJZ-INIZCTEOSA-N 1 0 463.626 -0.227 20 0 JBADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 ZINC001295550390 1069982485 /nfs/dbraw/zinc/98/24/85/1069982485.db2.gz FCAXHCQTBHTGJZ-MRXNPFEDSA-N 1 0 463.626 -0.227 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295563780 1069983405 /nfs/dbraw/zinc/98/34/05/1069983405.db2.gz NXUZUKZDHQPCHZ-FGTMMUONSA-N 1 0 498.654 -0.103 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295563782 1069983266 /nfs/dbraw/zinc/98/32/66/1069983266.db2.gz NXUZUKZDHQPCHZ-KURKYZTESA-N 1 0 498.654 -0.103 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295563784 1069983386 /nfs/dbraw/zinc/98/33/86/1069983386.db2.gz NXUZUKZDHQPCHZ-KZNAEPCWSA-N 1 0 498.654 -0.103 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295563785 1069983190 /nfs/dbraw/zinc/98/31/90/1069983190.db2.gz NXUZUKZDHQPCHZ-SQNIBIBYSA-N 1 0 498.654 -0.103 20 0 JBADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C ZINC001295819138 1069985757 /nfs/dbraw/zinc/98/57/57/1069985757.db2.gz HBFZVGIRRISOCL-HNNXBMFYSA-N 1 0 465.646 -0.300 20 0 JBADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C ZINC001295819142 1069985830 /nfs/dbraw/zinc/98/58/30/1069985830.db2.gz HBFZVGIRRISOCL-OAHLLOKOSA-N 1 0 465.646 -0.300 20 0 JBADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C1CC1 ZINC001295819485 1069985799 /nfs/dbraw/zinc/98/57/99/1069985799.db2.gz NZUSFNIEVFOSBA-GDBMZVCRSA-N 1 0 454.601 -0.071 20 0 JBADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C1CC1 ZINC001295819486 1069985915 /nfs/dbraw/zinc/98/59/15/1069985915.db2.gz NZUSFNIEVFOSBA-GOEBONIOSA-N 1 0 454.601 -0.071 20 0 JBADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C1CC1 ZINC001295819487 1069986002 /nfs/dbraw/zinc/98/60/02/1069986002.db2.gz NZUSFNIEVFOSBA-HOCLYGCPSA-N 1 0 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ZINC001296180921 1069998626 /nfs/dbraw/zinc/99/86/26/1069998626.db2.gz PUGYXKPZBCUXLP-ZWKOTPCHSA-N 1 0 488.680 -0.169 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3C[C@@H](C)OC)C2)CC1 ZINC001296181167 1069998603 /nfs/dbraw/zinc/99/86/03/1069998603.db2.gz SUMMCVCTDAMEOI-GUDVDZBRSA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3C[C@H](C)OC)C2)CC1 ZINC001296181168 1069998552 /nfs/dbraw/zinc/99/85/52/1069998552.db2.gz SUMMCVCTDAMEOI-IPMKNSEASA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3C[C@H](C)OC)C2)CC1 ZINC001296181169 1069998691 /nfs/dbraw/zinc/99/86/91/1069998691.db2.gz SUMMCVCTDAMEOI-OTWHNJEPSA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3C[C@@H](C)OC)C2)CC1 ZINC001296181170 1069998660 /nfs/dbraw/zinc/99/86/60/1069998660.db2.gz SUMMCVCTDAMEOI-QRVBRYPASA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCC(=O)N(C)C)C2)CC1 ZINC001296181216 1069998567 /nfs/dbraw/zinc/99/85/67/1069998567.db2.gz UWFCEOHXZJESKZ-MSOLQXFVSA-N 1 0 467.640 -0.125 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCC(=O)N(C)C)C2)CC1 ZINC001296181217 1069998704 /nfs/dbraw/zinc/99/87/04/1069998704.db2.gz UWFCEOHXZJESKZ-QZTJIDSGSA-N 1 0 467.640 -0.125 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCC(=O)N(C)C)C2)CC1 ZINC001296181218 1069998537 /nfs/dbraw/zinc/99/85/37/1069998537.db2.gz UWFCEOHXZJESKZ-ROUUACIJSA-N 1 0 467.640 -0.125 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCC(=O)N(C)C)C2)CC1 ZINC001296181219 1069998614 /nfs/dbraw/zinc/99/86/14/1069998614.db2.gz UWFCEOHXZJESKZ-ZWKOTPCHSA-N 1 0 467.640 -0.125 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185691 1069998676 /nfs/dbraw/zinc/99/86/76/1069998676.db2.gz QOUZCGOAVWNDNH-BZSNNMDCSA-N 1 0 484.671 -0.136 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185694 1069998520 /nfs/dbraw/zinc/99/85/20/1069998520.db2.gz QOUZCGOAVWNDNH-KSZLIROESA-N 1 0 484.671 -0.136 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185696 1069999230 /nfs/dbraw/zinc/99/92/30/1069999230.db2.gz QOUZCGOAVWNDNH-KURKYZTESA-N 1 0 484.671 -0.136 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296185698 1069999128 /nfs/dbraw/zinc/99/91/28/1069999128.db2.gz QOUZCGOAVWNDNH-SQNIBIBYSA-N 1 0 484.671 -0.136 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296186030 1069999370 /nfs/dbraw/zinc/99/93/70/1069999370.db2.gz SDDWQLFBOJIWDD-MSOLQXFVSA-N 1 0 464.615 -0.359 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296186031 1069999216 /nfs/dbraw/zinc/99/92/16/1069999216.db2.gz SDDWQLFBOJIWDD-QZTJIDSGSA-N 1 0 464.615 -0.359 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296186032 1069999112 /nfs/dbraw/zinc/99/91/12/1069999112.db2.gz SDDWQLFBOJIWDD-ROUUACIJSA-N 1 0 464.615 -0.359 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296186033 1069999317 /nfs/dbraw/zinc/99/93/17/1069999317.db2.gz SDDWQLFBOJIWDD-ZWKOTPCHSA-N 1 0 464.615 -0.359 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296186733 1069999086 /nfs/dbraw/zinc/99/90/86/1069999086.db2.gz ZAHREIATMYKOSA-CSODHUTKSA-N 1 0 484.671 -0.136 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296186734 1069999179 /nfs/dbraw/zinc/99/91/79/1069999179.db2.gz ZAHREIATMYKOSA-FIKGOQFSSA-N 1 0 484.671 -0.136 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296186735 1069999266 /nfs/dbraw/zinc/99/92/66/1069999266.db2.gz ZAHREIATMYKOSA-FVJLSDCUSA-N 1 0 484.671 -0.136 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296186736 1069999358 /nfs/dbraw/zinc/99/93/58/1069999358.db2.gz ZAHREIATMYKOSA-XGHQBKJUSA-N 1 0 484.671 -0.136 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296186747 1069999200 /nfs/dbraw/zinc/99/92/00/1069999200.db2.gz ZHEMPKKAQRVWSC-BZSNNMDCSA-N 1 0 497.670 -0.624 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296186748 1069999284 /nfs/dbraw/zinc/99/92/84/1069999284.db2.gz ZHEMPKKAQRVWSC-KSZLIROESA-N 1 0 497.670 -0.624 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296186749 1069999162 /nfs/dbraw/zinc/99/91/62/1069999162.db2.gz ZHEMPKKAQRVWSC-OKZBNKHCSA-N 1 0 497.670 -0.624 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296186750 1069999142 /nfs/dbraw/zinc/99/91/42/1069999142.db2.gz ZHEMPKKAQRVWSC-RCCFBDPRSA-N 1 0 497.670 -0.624 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001296191502 1069999924 /nfs/dbraw/zinc/99/99/24/1069999924.db2.gz BAXOMGPASFQQBZ-DLBZAZTESA-N 1 0 455.629 -0.016 20 0 JBADRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001296191503 1070000242 /nfs/dbraw/zinc/00/02/42/1070000242.db2.gz BAXOMGPASFQQBZ-IAGOWNOFSA-N 1 0 455.629 -0.016 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001296191504 1070000405 /nfs/dbraw/zinc/00/04/05/1070000405.db2.gz BAXOMGPASFQQBZ-IRXDYDNUSA-N 1 0 455.629 -0.016 20 0 JBADRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001296191505 1069999900 /nfs/dbraw/zinc/99/99/00/1069999900.db2.gz BAXOMGPASFQQBZ-SJORKVTESA-N 1 0 455.629 -0.016 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296191884 1069999884 /nfs/dbraw/zinc/99/98/84/1069999884.db2.gz CNXBAUKMBRGSRO-BZSNNMDCSA-N 1 0 462.599 -0.546 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296191885 1070000349 /nfs/dbraw/zinc/00/03/49/1070000349.db2.gz CNXBAUKMBRGSRO-KSZLIROESA-N 1 0 462.599 -0.546 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296191886 1070000189 /nfs/dbraw/zinc/00/01/89/1070000189.db2.gz CNXBAUKMBRGSRO-OKZBNKHCSA-N 1 0 462.599 -0.546 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001296191887 1069999767 /nfs/dbraw/zinc/99/97/67/1069999767.db2.gz CNXBAUKMBRGSRO-RCCFBDPRSA-N 1 0 462.599 -0.546 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)CC1 ZINC001296192301 1070000005 /nfs/dbraw/zinc/00/00/05/1070000005.db2.gz CUVSAOOVRGWLOB-PMACEKPBSA-N 1 0 498.698 -0.173 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)CC1 ZINC001296192304 1069999847 /nfs/dbraw/zinc/99/98/47/1069999847.db2.gz CUVSAOOVRGWLOB-UXHICEINSA-N 1 0 498.698 -0.173 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)CC1 ZINC001296192307 1069999717 /nfs/dbraw/zinc/99/97/17/1069999717.db2.gz CUVSAOOVRGWLOB-VQTJNVASSA-N 1 0 498.698 -0.173 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)CC1 ZINC001296192310 1069999939 /nfs/dbraw/zinc/99/99/39/1069999939.db2.gz CUVSAOOVRGWLOB-WOJBJXKFSA-N 1 0 498.698 -0.173 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296192931 1069999964 /nfs/dbraw/zinc/99/99/64/1069999964.db2.gz HFQTYYHLGVZTOB-MSOLQXFVSA-N 1 0 484.671 -0.027 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296192932 1069999830 /nfs/dbraw/zinc/99/98/30/1069999830.db2.gz HFQTYYHLGVZTOB-QZTJIDSGSA-N 1 0 484.671 -0.027 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296192933 1070000118 /nfs/dbraw/zinc/00/01/18/1070000118.db2.gz HFQTYYHLGVZTOB-ROUUACIJSA-N 1 0 484.671 -0.027 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296192934 1070000158 /nfs/dbraw/zinc/00/01/58/1070000158.db2.gz HFQTYYHLGVZTOB-ZWKOTPCHSA-N 1 0 484.671 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296196183 1069999982 /nfs/dbraw/zinc/99/99/82/1069999982.db2.gz XPKMRJKUBHBTDA-FQEVSTJZSA-N 1 0 490.653 -0.031 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296196185 1070000278 /nfs/dbraw/zinc/00/02/78/1070000278.db2.gz XPKMRJKUBHBTDA-HXUWFJFHSA-N 1 0 490.653 -0.031 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296202239 1069999791 /nfs/dbraw/zinc/99/97/91/1069999791.db2.gz BSOHPWOYMRBCKJ-DLBZAZTESA-N 1 0 483.643 -0.870 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296202244 1069999810 /nfs/dbraw/zinc/99/98/10/1069999810.db2.gz BSOHPWOYMRBCKJ-IAGOWNOFSA-N 1 0 483.643 -0.870 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296202245 1070001137 /nfs/dbraw/zinc/00/11/37/1070001137.db2.gz BSOHPWOYMRBCKJ-IRXDYDNUSA-N 1 0 483.643 -0.870 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296202246 1070001464 /nfs/dbraw/zinc/00/14/64/1070001464.db2.gz BSOHPWOYMRBCKJ-SJORKVTESA-N 1 0 483.643 -0.870 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296202272 1070000906 /nfs/dbraw/zinc/00/09/06/1070000906.db2.gz CKSSRRRUOXWYGA-KRWDZBQOSA-N 1 0 470.644 -0.416 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296202274 1070001414 /nfs/dbraw/zinc/00/14/14/1070001414.db2.gz CKSSRRRUOXWYGA-QGZVFWFLSA-N 1 0 470.644 -0.416 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296202585 1070001576 /nfs/dbraw/zinc/00/15/76/1070001576.db2.gz GHSLWOPOLCIJNR-GOSISDBHSA-N 1 0 484.671 -0.026 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296202586 1070001191 /nfs/dbraw/zinc/00/11/91/1070001191.db2.gz GHSLWOPOLCIJNR-SFHVURJKSA-N 1 0 484.671 -0.026 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296203566 1070001375 /nfs/dbraw/zinc/00/13/75/1070001375.db2.gz BNOFIQFMYIJSGW-DYESRHJHSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296203567 1070001063 /nfs/dbraw/zinc/00/10/63/1070001063.db2.gz BNOFIQFMYIJSGW-LAUBAEHRSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296203568 1070001303 /nfs/dbraw/zinc/00/13/03/1070001303.db2.gz BNOFIQFMYIJSGW-UTKZUKDTSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296203569 1070000746 /nfs/dbraw/zinc/00/07/46/1070000746.db2.gz BNOFIQFMYIJSGW-UWJYYQICSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1 ZINC001296203605 1070001236 /nfs/dbraw/zinc/00/12/36/1070001236.db2.gz CMRLXELBYINRDN-KRWDZBQOSA-N 1 0 458.654 -0.224 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1 ZINC001296203606 1070001631 /nfs/dbraw/zinc/00/16/31/1070001631.db2.gz CMRLXELBYINRDN-QGZVFWFLSA-N 1 0 458.654 -0.224 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001296203785 1070001101 /nfs/dbraw/zinc/00/11/01/1070001101.db2.gz OEKXKPOZLFPFGC-PMACEKPBSA-N 1 0 476.626 -0.012 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001296203786 1070001340 /nfs/dbraw/zinc/00/13/40/1070001340.db2.gz OEKXKPOZLFPFGC-UXHICEINSA-N 1 0 476.626 -0.012 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001296203787 1070001022 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ZINC001296204068 1070000848 /nfs/dbraw/zinc/00/08/48/1070000848.db2.gz QUEOBDIWGLXNLO-RCCFBDPRSA-N 1 0 482.655 -0.369 20 0 JBADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296204084 1070002289 /nfs/dbraw/zinc/00/22/89/1070002289.db2.gz RDLHGOCRHJQVJR-UHFFFAOYSA-N 1 0 476.626 -0.163 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296204211 1070002703 /nfs/dbraw/zinc/00/27/03/1070002703.db2.gz IKOODTLVACHAEF-GOSISDBHSA-N 1 0 462.599 -0.448 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296204212 1070002852 /nfs/dbraw/zinc/00/28/52/1070002852.db2.gz IKOODTLVACHAEF-SFHVURJKSA-N 1 0 462.599 -0.448 20 0 JBADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001296204383 1070002233 /nfs/dbraw/zinc/00/22/33/1070002233.db2.gz VAOYMKFSZOTBFV-UHFFFAOYSA-N 1 0 476.626 -0.163 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001296204415 1070002348 /nfs/dbraw/zinc/00/23/48/1070002348.db2.gz VWNJNOOIGAJYPY-DLBZAZTESA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001296204416 1070002007 /nfs/dbraw/zinc/00/20/07/1070002007.db2.gz VWNJNOOIGAJYPY-IAGOWNOFSA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001296204417 1070002756 /nfs/dbraw/zinc/00/27/56/1070002756.db2.gz VWNJNOOIGAJYPY-IRXDYDNUSA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001296204418 1070002506 /nfs/dbraw/zinc/00/25/06/1070002506.db2.gz VWNJNOOIGAJYPY-SJORKVTESA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC001296204536 1070002602 /nfs/dbraw/zinc/00/26/02/1070002602.db2.gz WFSWUHUCZUFEFB-UHFFFAOYSA-N 1 0 489.625 -0.036 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001296204710 1070002812 /nfs/dbraw/zinc/00/28/12/1070002812.db2.gz LIZWXTCTTGSVGI-FQEVSTJZSA-N 1 0 483.683 -0.024 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001296204723 1070002564 /nfs/dbraw/zinc/00/25/64/1070002564.db2.gz LIZWXTCTTGSVGI-HXUWFJFHSA-N 1 0 483.683 -0.024 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001296204973 1070001929 /nfs/dbraw/zinc/00/19/29/1070001929.db2.gz OSJRGRLOWLMVPO-ROUUACIJSA-N 1 0 482.655 -0.273 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001296204974 1070002161 /nfs/dbraw/zinc/00/21/61/1070002161.db2.gz OSJRGRLOWLMVPO-ZWKOTPCHSA-N 1 0 482.655 -0.273 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296205847 1070002665 /nfs/dbraw/zinc/00/26/65/1070002665.db2.gz ZSYJJGLNQWQPSD-OALUTQOASA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296205848 1070002441 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/nfs/dbraw/zinc/00/56/67/1070005667.db2.gz YKLBDWAGOPPYPO-HXUWFJFHSA-N 1 0 489.669 -0.202 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CC1 ZINC001296286970 1070007008 /nfs/dbraw/zinc/00/70/08/1070007008.db2.gz PTRGUFIUAHOQKJ-INIZCTEOSA-N 1 0 488.684 -0.805 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCSCC2)CC1 ZINC001296286971 1070006710 /nfs/dbraw/zinc/00/67/10/1070006710.db2.gz PTRGUFIUAHOQKJ-MRXNPFEDSA-N 1 0 488.684 -0.805 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001296290487 1070007596 /nfs/dbraw/zinc/00/75/96/1070007596.db2.gz FVQZKYBMXUHTQK-GOSISDBHSA-N 1 0 462.599 -0.666 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001296290488 1070007461 /nfs/dbraw/zinc/00/74/61/1070007461.db2.gz FVQZKYBMXUHTQK-SFHVURJKSA-N 1 0 462.599 -0.666 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001296297797 1070009824 /nfs/dbraw/zinc/00/98/24/1070009824.db2.gz AABUQZXCVPOEBA-JLMWRMLUSA-N 1 0 465.599 -0.673 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001296297802 1070009517 /nfs/dbraw/zinc/00/95/17/1070009517.db2.gz AABUQZXCVPOEBA-LQBOVUBWSA-N 1 0 465.599 -0.673 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001296298535 1070009970 /nfs/dbraw/zinc/00/99/70/1070009970.db2.gz UAYNEDKCAYKYER-JOCHJYFZSA-N 1 0 459.599 -0.536 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001296298536 1070010318 /nfs/dbraw/zinc/01/03/18/1070010318.db2.gz UAYNEDKCAYKYER-QFIPXVFZSA-N 1 0 459.599 -0.536 20 0 JBADRO CCNC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001296325814 1070013565 /nfs/dbraw/zinc/01/35/65/1070013565.db2.gz LPMSYAFFPCVJGB-FIKGOQFSSA-N 1 0 451.572 -0.080 20 0 JBADRO CCNC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001296325816 1070013353 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CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001297770595 1070043309 /nfs/dbraw/zinc/04/33/09/1070043309.db2.gz WIUHEELZJYACHL-UHFFFAOYSA-N 1 0 471.628 -0.096 20 0 JBADRO CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001297779329 1070044311 /nfs/dbraw/zinc/04/43/11/1070044311.db2.gz LWQJSRWNHZPCLK-UHFFFAOYSA-N 1 0 450.569 -0.025 20 0 JBADRO CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001297779692 1070044093 /nfs/dbraw/zinc/04/40/93/1070044093.db2.gz ZGPBRPCIIKIAKX-KRWDZBQOSA-N 1 0 477.595 -0.583 20 0 JBADRO CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001297779693 1070044223 /nfs/dbraw/zinc/04/42/23/1070044223.db2.gz ZGPBRPCIIKIAKX-QGZVFWFLSA-N 1 0 477.595 -0.583 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001297786304 1070045244 /nfs/dbraw/zinc/04/52/44/1070045244.db2.gz TXFCQAQBJCIXTF-ARFHVFGLSA-N 1 0 460.626 -0.208 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001297786305 1070045626 /nfs/dbraw/zinc/04/56/26/1070045626.db2.gz TXFCQAQBJCIXTF-BZUAXINKSA-N 1 0 460.626 -0.208 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001297786306 1070045472 /nfs/dbraw/zinc/04/54/72/1070045472.db2.gz TXFCQAQBJCIXTF-OAGGEKHMSA-N 1 0 460.626 -0.208 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001297786307 1070046242 /nfs/dbraw/zinc/04/62/42/1070046242.db2.gz TXFCQAQBJCIXTF-XHSDSOJGSA-N 1 0 460.626 -0.208 20 0 JBADRO CCS(=O)(=O)NCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1 ZINC001297787008 1070046045 /nfs/dbraw/zinc/04/60/45/1070046045.db2.gz DDOVNEKDUGXKRK-UHFFFAOYSA-N 1 0 490.634 -0.482 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001297790011 1070046763 /nfs/dbraw/zinc/04/67/63/1070046763.db2.gz BUWMXZXPVLXJIB-DLBZAZTESA-N 1 0 469.612 -0.188 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001297790013 1070046698 /nfs/dbraw/zinc/04/66/98/1070046698.db2.gz BUWMXZXPVLXJIB-IAGOWNOFSA-N 1 0 469.612 -0.188 20 0 JBADRO CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001297824847 1070050428 /nfs/dbraw/zinc/05/04/28/1070050428.db2.gz QRAAKCZAQYJKTQ-JGCGQSQUSA-N 1 0 465.624 -0.087 20 0 JBADRO CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001297824848 1070050670 /nfs/dbraw/zinc/05/06/70/1070050670.db2.gz QRAAKCZAQYJKTQ-YTTGMZPUSA-N 1 0 465.624 -0.087 20 0 JBADRO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1 ZINC001297880362 1070051044 /nfs/dbraw/zinc/05/10/44/1070051044.db2.gz MGHBACGNWJDTAH-UHFFFAOYSA-N 1 0 453.565 -0.498 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001297953965 1070051257 /nfs/dbraw/zinc/05/12/57/1070051257.db2.gz BCAGAZUBVPBENG-MSOLQXFVSA-N 1 0 499.638 -0.610 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001297953966 1070051408 /nfs/dbraw/zinc/05/14/08/1070051408.db2.gz BCAGAZUBVPBENG-QZTJIDSGSA-N 1 0 499.638 -0.610 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001297953967 1070051071 /nfs/dbraw/zinc/05/10/71/1070051071.db2.gz BCAGAZUBVPBENG-ROUUACIJSA-N 1 0 499.638 -0.610 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001297953968 1070051200 /nfs/dbraw/zinc/05/12/00/1070051200.db2.gz BCAGAZUBVPBENG-ZWKOTPCHSA-N 1 0 499.638 -0.610 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001297954009 1070051140 /nfs/dbraw/zinc/05/11/40/1070051140.db2.gz CECKPRMDHKCAKX-MSOLQXFVSA-N 1 0 483.639 -0.194 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001297954010 1070051107 /nfs/dbraw/zinc/05/11/07/1070051107.db2.gz CECKPRMDHKCAKX-QZTJIDSGSA-N 1 0 483.639 -0.194 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001297954011 1070051457 /nfs/dbraw/zinc/05/14/57/1070051457.db2.gz CECKPRMDHKCAKX-ROUUACIJSA-N 1 0 483.639 -0.194 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001297954012 1070051801 /nfs/dbraw/zinc/05/18/01/1070051801.db2.gz CECKPRMDHKCAKX-ZWKOTPCHSA-N 1 0 483.639 -0.194 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1 ZINC001297954428 1070051834 /nfs/dbraw/zinc/05/18/34/1070051834.db2.gz JXHXGNNWTMUYPV-CVEARBPZSA-N 1 0 451.597 -0.259 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1 ZINC001297954529 1070052179 /nfs/dbraw/zinc/05/21/79/1070052179.db2.gz JXHXGNNWTMUYPV-HOTGVXAUSA-N 1 0 451.597 -0.259 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1 ZINC001297954530 1070052293 /nfs/dbraw/zinc/05/22/93/1070052293.db2.gz JXHXGNNWTMUYPV-HZPDHXFCSA-N 1 0 451.597 -0.259 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1 ZINC001297954531 1070051874 /nfs/dbraw/zinc/05/18/74/1070051874.db2.gz JXHXGNNWTMUYPV-JKSUJKDBSA-N 1 0 451.597 -0.259 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)CC1 ZINC001297954739 1070052328 /nfs/dbraw/zinc/05/23/28/1070052328.db2.gz NCDPWNAHQTWRLK-KRWDZBQOSA-N 1 0 460.583 -0.217 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)CC1 ZINC001297954740 1070052519 /nfs/dbraw/zinc/05/25/19/1070052519.db2.gz NCDPWNAHQTWRLK-QGZVFWFLSA-N 1 0 460.583 -0.217 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 ZINC001297955966 1070051748 /nfs/dbraw/zinc/05/17/48/1070051748.db2.gz YIKPNMNVKPUDKL-MOPGFXCFSA-N 1 0 476.626 -0.060 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 ZINC001297955967 1070052360 /nfs/dbraw/zinc/05/23/60/1070052360.db2.gz YIKPNMNVKPUDKL-OALUTQOASA-N 1 0 476.626 -0.060 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 ZINC001297955968 1070052032 /nfs/dbraw/zinc/05/20/32/1070052032.db2.gz YIKPNMNVKPUDKL-RBUKOAKNSA-N 1 0 476.626 -0.060 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 ZINC001297955969 1070052419 /nfs/dbraw/zinc/05/24/19/1070052419.db2.gz YIKPNMNVKPUDKL-RTBURBONSA-N 1 0 476.626 -0.060 20 0 JBADRO CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001297988641 1070054392 /nfs/dbraw/zinc/05/43/92/1070054392.db2.gz NXKQLJPMUNSEAK-KRWDZBQOSA-N 1 0 481.623 -0.597 20 0 JBADRO CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001297988642 1070054528 /nfs/dbraw/zinc/05/45/28/1070054528.db2.gz NXKQLJPMUNSEAK-QGZVFWFLSA-N 1 0 481.623 -0.597 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001298005711 1070056198 /nfs/dbraw/zinc/05/61/98/1070056198.db2.gz WCHOTAFBKQLBKT-KRWDZBQOSA-N 1 0 454.597 -0.183 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001298005712 1070056076 /nfs/dbraw/zinc/05/60/76/1070056076.db2.gz WCHOTAFBKQLBKT-QGZVFWFLSA-N 1 0 454.597 -0.183 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001298014560 1070057374 /nfs/dbraw/zinc/05/73/74/1070057374.db2.gz BKNZAPUKZFKCMW-GOSISDBHSA-N 1 0 462.599 -0.448 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001298014561 1070057548 /nfs/dbraw/zinc/05/75/48/1070057548.db2.gz BKNZAPUKZFKCMW-SFHVURJKSA-N 1 0 462.599 -0.448 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001298015019 1070058204 /nfs/dbraw/zinc/05/82/04/1070058204.db2.gz GHUFVBHEWQMYJE-MSOLQXFVSA-N 1 0 462.599 -0.714 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001298015020 1070057950 /nfs/dbraw/zinc/05/79/50/1070057950.db2.gz GHUFVBHEWQMYJE-QZTJIDSGSA-N 1 0 462.599 -0.714 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001298015021 1070058175 /nfs/dbraw/zinc/05/81/75/1070058175.db2.gz GHUFVBHEWQMYJE-ROUUACIJSA-N 1 0 462.599 -0.714 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001298015022 1070058063 /nfs/dbraw/zinc/05/80/63/1070058063.db2.gz GHUFVBHEWQMYJE-ZWKOTPCHSA-N 1 0 462.599 -0.714 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001298015781 1070058789 /nfs/dbraw/zinc/05/87/89/1070058789.db2.gz STRSHEFVMHDMBH-KRWDZBQOSA-N 1 0 467.640 -0.125 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001298015782 1070058832 /nfs/dbraw/zinc/05/88/32/1070058832.db2.gz STRSHEFVMHDMBH-QGZVFWFLSA-N 1 0 467.640 -0.125 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CCCC[NH+]2CCOCC2)CC1 ZINC001298016799 1070058587 /nfs/dbraw/zinc/05/85/87/1070058587.db2.gz DFHWSWZVHDFSCN-UHFFFAOYSA-N 1 0 476.626 -0.277 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 ZINC001298032553 1070059385 /nfs/dbraw/zinc/05/93/85/1070059385.db2.gz NJECYARSQUEHFY-MSOLQXFVSA-N 1 0 499.638 -0.578 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 ZINC001298032554 1070059335 /nfs/dbraw/zinc/05/93/35/1070059335.db2.gz NJECYARSQUEHFY-QZTJIDSGSA-N 1 0 499.638 -0.578 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 ZINC001298032555 1070059232 /nfs/dbraw/zinc/05/92/32/1070059232.db2.gz NJECYARSQUEHFY-ROUUACIJSA-N 1 0 499.638 -0.578 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 ZINC001298032556 1070059326 /nfs/dbraw/zinc/05/93/26/1070059326.db2.gz NJECYARSQUEHFY-ZWKOTPCHSA-N 1 0 499.638 -0.578 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1cccc(F)c1 ZINC001298032895 1070059249 /nfs/dbraw/zinc/05/92/49/1070059249.db2.gz QZJGJWPAWUDAHW-MSOLQXFVSA-N 1 0 495.581 -0.011 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1cccc(F)c1 ZINC001298032896 1070059147 /nfs/dbraw/zinc/05/91/47/1070059147.db2.gz QZJGJWPAWUDAHW-QZTJIDSGSA-N 1 0 495.581 -0.011 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1cccc(F)c1 ZINC001298032897 1070059359 /nfs/dbraw/zinc/05/93/59/1070059359.db2.gz QZJGJWPAWUDAHW-ROUUACIJSA-N 1 0 495.581 -0.011 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1cccc(F)c1 ZINC001298032898 1070060083 /nfs/dbraw/zinc/06/00/83/1070060083.db2.gz QZJGJWPAWUDAHW-ZWKOTPCHSA-N 1 0 495.581 -0.011 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](C)(C(N)=O)C2)CCC1 ZINC001298048253 1070059931 /nfs/dbraw/zinc/05/99/31/1070059931.db2.gz RRAAWABPWVFNGI-BEFAXECRSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCC1 ZINC001298048254 1070059844 /nfs/dbraw/zinc/05/98/44/1070059844.db2.gz RRAAWABPWVFNGI-DNVCBOLYSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCC1 ZINC001298048255 1070060139 /nfs/dbraw/zinc/06/01/39/1070060139.db2.gz RRAAWABPWVFNGI-HNAYVOBHSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](C)(C(N)=O)C2)CCC1 ZINC001298048256 1070060030 /nfs/dbraw/zinc/06/00/30/1070060030.db2.gz RRAAWABPWVFNGI-KXBFYZLASA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 ZINC001298075568 1070060605 /nfs/dbraw/zinc/06/06/05/1070060605.db2.gz FTWGZCUDXYJBPB-INIZCTEOSA-N 1 0 471.628 -0.100 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 ZINC001298075698 1070060764 /nfs/dbraw/zinc/06/07/64/1070060764.db2.gz FTWGZCUDXYJBPB-MRXNPFEDSA-N 1 0 471.628 -0.100 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001298075833 1070060416 /nfs/dbraw/zinc/06/04/16/1070060416.db2.gz HQUDDQMAHLVNNK-BBWFWOEESA-N 1 0 483.639 -0.086 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001298075834 1070060462 /nfs/dbraw/zinc/06/04/62/1070060462.db2.gz HQUDDQMAHLVNNK-IKGGRYGDSA-N 1 0 483.639 -0.086 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001298075835 1070060589 /nfs/dbraw/zinc/06/05/89/1070060589.db2.gz HQUDDQMAHLVNNK-ULQDDVLXSA-N 1 0 483.639 -0.086 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001298075836 1070060733 /nfs/dbraw/zinc/06/07/33/1070060733.db2.gz HQUDDQMAHLVNNK-ZACQAIPSSA-N 1 0 483.639 -0.086 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001298076135 1070060741 /nfs/dbraw/zinc/06/07/41/1070060741.db2.gz KQQRIHZYENLUCO-CVEARBPZSA-N 1 0 492.668 -0.178 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001298076264 1070060555 /nfs/dbraw/zinc/06/05/55/1070060555.db2.gz KQQRIHZYENLUCO-HOTGVXAUSA-N 1 0 492.668 -0.178 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001298076267 1070060651 /nfs/dbraw/zinc/06/06/51/1070060651.db2.gz KQQRIHZYENLUCO-HZPDHXFCSA-N 1 0 492.668 -0.178 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001298076271 1070060377 /nfs/dbraw/zinc/06/03/77/1070060377.db2.gz KQQRIHZYENLUCO-JKSUJKDBSA-N 1 0 492.668 -0.178 20 0 JBADRO C[NH+](C)CCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001298085439 1070060678 /nfs/dbraw/zinc/06/06/78/1070060678.db2.gz SZSJIDHFQBWCDJ-GOSISDBHSA-N 1 0 488.680 -0.311 20 0 JBADRO C[NH+](C)CCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001298085441 1070060435 /nfs/dbraw/zinc/06/04/35/1070060435.db2.gz SZSJIDHFQBWCDJ-SFHVURJKSA-N 1 0 488.680 -0.311 20 0 JBADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001298086800 1070060691 /nfs/dbraw/zinc/06/06/91/1070060691.db2.gz GCUCGDVNRWOOOI-HNNXBMFYSA-N 1 0 462.942 -0.281 20 0 JBADRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001298086804 1070060620 /nfs/dbraw/zinc/06/06/20/1070060620.db2.gz GCUCGDVNRWOOOI-OAHLLOKOSA-N 1 0 462.942 -0.281 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(C(=O)N4CCOCC4)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001298086824 1070060358 /nfs/dbraw/zinc/06/03/58/1070060358.db2.gz GRKMNPNVNDDHOT-UHFFFAOYSA-N 1 0 461.571 -0.169 20 0 JBADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001298088960 1070060487 /nfs/dbraw/zinc/06/04/87/1070060487.db2.gz OPASFAJZPPEFMM-UHFFFAOYSA-N 1 0 490.609 -0.637 20 0 JBADRO CN1C(=O)N[C@@H](C2CCN(c3nnc(C(=O)N4CCCC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001298089038 1070060333 /nfs/dbraw/zinc/06/03/33/1070060333.db2.gz REJQPZDOKQCDMF-KRWDZBQOSA-N 1 0 476.582 -0.141 20 0 JBADRO CN1C(=O)N[C@H](C2CCN(c3nnc(C(=O)N4CCCC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001298089039 1070060635 /nfs/dbraw/zinc/06/06/35/1070060635.db2.gz REJQPZDOKQCDMF-QGZVFWFLSA-N 1 0 476.582 -0.141 20 0 JBADRO C[NH+](C)CCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001298092348 1070061288 /nfs/dbraw/zinc/06/12/88/1070061288.db2.gz FXXUBZDJLMYSJY-UHFFFAOYSA-N 1 0 470.578 -0.231 20 0 JBADRO C[NH+](C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001298092590 1070060989 /nfs/dbraw/zinc/06/09/89/1070060989.db2.gz IKDQXJNUOTVTSM-HNNXBMFYSA-N 1 0 477.516 -0.128 20 0 JBADRO C[NH+](C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001298092592 1070061258 /nfs/dbraw/zinc/06/12/58/1070061258.db2.gz IKDQXJNUOTVTSM-OAHLLOKOSA-N 1 0 477.516 -0.128 20 0 JBADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001298093563 1070061087 /nfs/dbraw/zinc/06/10/87/1070061087.db2.gz PISOXETXJFIGHI-JOCHJYFZSA-N 1 0 476.582 -0.207 20 0 JBADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001298093564 1070061126 /nfs/dbraw/zinc/06/11/26/1070061126.db2.gz PISOXETXJFIGHI-QFIPXVFZSA-N 1 0 476.582 -0.207 20 0 JBADRO C[NH+](C)CCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001298093634 1070061222 /nfs/dbraw/zinc/06/12/22/1070061222.db2.gz QQXMQDDDXUVEBD-UHFFFAOYSA-N 1 0 463.583 -0.684 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001298094366 1070061065 /nfs/dbraw/zinc/06/10/65/1070061065.db2.gz AZAPEARIONCQDT-GOSISDBHSA-N 1 0 463.583 -0.369 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001298094368 1070061015 /nfs/dbraw/zinc/06/10/15/1070061015.db2.gz AZAPEARIONCQDT-SFHVURJKSA-N 1 0 463.583 -0.369 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001298095638 1070061145 /nfs/dbraw/zinc/06/11/45/1070061145.db2.gz IISPFYLSWLJXPX-OAGGEKHMSA-N 1 0 456.569 -0.307 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001298095640 1070061205 /nfs/dbraw/zinc/06/12/05/1070061205.db2.gz IISPFYLSWLJXPX-XHSDSOJGSA-N 1 0 456.569 -0.307 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001298095982 1070061041 /nfs/dbraw/zinc/06/10/41/1070061041.db2.gz KXAPYEHKKRRHLF-IBGZPJMESA-N 1 0 465.599 -0.659 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001298095983 1070061363 /nfs/dbraw/zinc/06/13/63/1070061363.db2.gz KXAPYEHKKRRHLF-LJQANCHMSA-N 1 0 465.599 -0.659 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001298096633 1070061336 /nfs/dbraw/zinc/06/13/36/1070061336.db2.gz GFWQOGJLHIEOIY-UHFFFAOYSA-N 1 0 483.639 -0.046 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001298096825 1070061320 /nfs/dbraw/zinc/06/13/20/1070061320.db2.gz QMWAPEAVTKVGGK-IBGZPJMESA-N 1 0 497.666 -0.497 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001298096826 1070061165 /nfs/dbraw/zinc/06/11/65/1070061165.db2.gz QMWAPEAVTKVGGK-LJQANCHMSA-N 1 0 497.666 -0.497 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001298097128 1070061659 /nfs/dbraw/zinc/06/16/59/1070061659.db2.gz SLQOUOPFWHUTQP-FGTMMUONSA-N 1 0 499.638 -0.848 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001298097129 1070061934 /nfs/dbraw/zinc/06/19/34/1070061934.db2.gz SLQOUOPFWHUTQP-SQNIBIBYSA-N 1 0 499.638 -0.848 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001298097369 1070061683 /nfs/dbraw/zinc/06/16/83/1070061683.db2.gz UAKZGSMBOFDGEG-IBGZPJMESA-N 1 0 498.650 -0.166 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001298097370 1070061642 /nfs/dbraw/zinc/06/16/42/1070061642.db2.gz UAKZGSMBOFDGEG-LJQANCHMSA-N 1 0 498.650 -0.166 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001298097443 1070061627 /nfs/dbraw/zinc/06/16/27/1070061627.db2.gz VDVGXSAKHCQODX-DOTOQJQBSA-N 1 0 469.612 -0.201 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001298097459 1070061851 /nfs/dbraw/zinc/06/18/51/1070061851.db2.gz VDVGXSAKHCQODX-NVXWUHKLSA-N 1 0 469.612 -0.201 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001298097461 1070061833 /nfs/dbraw/zinc/06/18/33/1070061833.db2.gz VDVGXSAKHCQODX-RDJZCZTQSA-N 1 0 469.612 -0.201 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001298097463 1070061918 /nfs/dbraw/zinc/06/19/18/1070061918.db2.gz VDVGXSAKHCQODX-WBVHZDCISA-N 1 0 469.612 -0.201 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001298098365 1070061715 /nfs/dbraw/zinc/06/17/15/1070061715.db2.gz WPIXWDFRFWAYJE-UHFFFAOYSA-N 1 0 493.638 -0.149 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnn(C)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298198506 1070065694 /nfs/dbraw/zinc/06/56/94/1070065694.db2.gz KBRBSZVJPFLLGV-UHFFFAOYSA-N 1 0 459.599 0.000 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCCC1 ZINC001298200032 1070066240 /nfs/dbraw/zinc/06/62/40/1070066240.db2.gz DMZRVMRPGIZRIL-GOSISDBHSA-N 1 0 499.638 -0.608 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCCC1 ZINC001298200034 1070066388 /nfs/dbraw/zinc/06/63/88/1070066388.db2.gz DMZRVMRPGIZRIL-SFHVURJKSA-N 1 0 499.638 -0.608 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CCC[NH+]1CCC(O)CC1 ZINC001298206997 1070067585 /nfs/dbraw/zinc/06/75/85/1070067585.db2.gz TZMRWBFEEJNBSF-UHFFFAOYSA-N 1 0 463.583 -0.458 20 0 JBADRO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(=O)[nH]c1=O ZINC001298377843 1070068186 /nfs/dbraw/zinc/06/81/86/1070068186.db2.gz SCWUBNNVUQKLNW-CABCVRRESA-N 1 0 450.540 -0.137 20 0 JBADRO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(=O)[nH]c1=O ZINC001298377844 1070068096 /nfs/dbraw/zinc/06/80/96/1070068096.db2.gz SCWUBNNVUQKLNW-GJZGRUSLSA-N 1 0 450.540 -0.137 20 0 JBADRO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(=O)[nH]c1=O ZINC001298377845 1070067854 /nfs/dbraw/zinc/06/78/54/1070067854.db2.gz SCWUBNNVUQKLNW-HUUCEWRRSA-N 1 0 450.540 -0.137 20 0 JBADRO CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(=O)[nH]c1=O ZINC001298377846 1070068036 /nfs/dbraw/zinc/06/80/36/1070068036.db2.gz SCWUBNNVUQKLNW-LSDHHAIUSA-N 1 0 450.540 -0.137 20 0 JBADRO C[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C1CCCCC1 ZINC001298713971 1070071027 /nfs/dbraw/zinc/07/10/27/1070071027.db2.gz IZVIELHAQUFXJN-KRWDZBQOSA-N 1 0 469.612 -0.188 20 0 JBADRO C[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C1CCCCC1 ZINC001298713972 1070071131 /nfs/dbraw/zinc/07/11/31/1070071131.db2.gz IZVIELHAQUFXJN-QGZVFWFLSA-N 1 0 469.612 -0.188 20 0 JBADRO CN(CCN1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CC=CCC1 ZINC001298738568 1070071858 /nfs/dbraw/zinc/07/18/58/1070071858.db2.gz KYXCDAQBIIEYJY-IBGZPJMESA-N 1 0 483.639 -0.359 20 0 JBADRO CN(CCN1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CC=CCC1 ZINC001298738569 1070072479 /nfs/dbraw/zinc/07/24/79/1070072479.db2.gz KYXCDAQBIIEYJY-LJQANCHMSA-N 1 0 483.639 -0.359 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001298741043 1070072838 /nfs/dbraw/zinc/07/28/38/1070072838.db2.gz YZWYNOPIFAGNMJ-UHFFFAOYSA-N 1 0 457.601 -0.654 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298744889 1070072650 /nfs/dbraw/zinc/07/26/50/1070072650.db2.gz YUMOYQORZZWWEB-UHFFFAOYSA-N 1 0 451.601 -0.254 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001298745453 1070072760 /nfs/dbraw/zinc/07/27/60/1070072760.db2.gz LAMOMVOUPGUJGU-HNNXBMFYSA-N 1 0 493.656 -0.919 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001298745454 1070073349 /nfs/dbraw/zinc/07/33/49/1070073349.db2.gz LAMOMVOUPGUJGU-OAHLLOKOSA-N 1 0 493.656 -0.919 20 0 JBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1OC ZINC001298750708 1070073787 /nfs/dbraw/zinc/07/37/87/1070073787.db2.gz CHIYGKKFYPPMPV-HNNXBMFYSA-N 1 0 457.549 -0.089 20 0 JBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1OC ZINC001298750709 1070074192 /nfs/dbraw/zinc/07/41/92/1070074192.db2.gz CHIYGKKFYPPMPV-OAHLLOKOSA-N 1 0 457.549 -0.089 20 0 JBADRO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001298781785 1070074062 /nfs/dbraw/zinc/07/40/62/1070074062.db2.gz IGKJKSQDTJNNGB-HNNXBMFYSA-N 1 0 478.641 -0.424 20 0 JBADRO CN(CCS(C)(=O)=O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001298781792 1070074228 /nfs/dbraw/zinc/07/42/28/1070074228.db2.gz IGKJKSQDTJNNGB-OAHLLOKOSA-N 1 0 478.641 -0.424 20 0 JBADRO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001298781806 1070073684 /nfs/dbraw/zinc/07/36/84/1070073684.db2.gz IIISDDKIJYPHFJ-CVEARBPZSA-N 1 0 478.641 -0.568 20 0 JBADRO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298781819 1070074024 /nfs/dbraw/zinc/07/40/24/1070074024.db2.gz IIISDDKIJYPHFJ-HOTGVXAUSA-N 1 0 478.641 -0.568 20 0 JBADRO CN(CCS(C)(=O)=O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001298781823 1070073955 /nfs/dbraw/zinc/07/39/55/1070073955.db2.gz IIISDDKIJYPHFJ-HZPDHXFCSA-N 1 0 478.641 -0.568 20 0 JBADRO CN(CCS(C)(=O)=O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298781828 1070074131 /nfs/dbraw/zinc/07/41/31/1070074131.db2.gz IIISDDKIJYPHFJ-JKSUJKDBSA-N 1 0 478.641 -0.568 20 0 JBADRO Cn1cc(-c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001298817341 1070075618 /nfs/dbraw/zinc/07/56/18/1070075618.db2.gz AVXYLQYBRMZEAS-KRWDZBQOSA-N 1 0 452.585 -0.081 20 0 JBADRO Cn1cc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001298817342 1070075459 /nfs/dbraw/zinc/07/54/59/1070075459.db2.gz AVXYLQYBRMZEAS-QGZVFWFLSA-N 1 0 452.585 -0.081 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cn1 ZINC001298818322 1070075767 /nfs/dbraw/zinc/07/57/67/1070075767.db2.gz GPFHCIBKDBHKQL-KRWDZBQOSA-N 1 0 452.585 -0.393 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)cn1 ZINC001298818323 1070075525 /nfs/dbraw/zinc/07/55/25/1070075525.db2.gz GPFHCIBKDBHKQL-QGZVFWFLSA-N 1 0 452.585 -0.393 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCC[NH+]2CCC(O)CC2)cn1 ZINC001298819588 1070075732 /nfs/dbraw/zinc/07/57/32/1070075732.db2.gz YFJXUXMVIMIRRA-UHFFFAOYSA-N 1 0 452.585 -0.393 20 0 JBADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(C(=O)N4CCCC4)n3CCCNS(C)(=O)=O)CC2)cn1 ZINC001298828391 1070076066 /nfs/dbraw/zinc/07/60/66/1070076066.db2.gz QCZKSHRFZWLEKI-UHFFFAOYSA-N 1 0 493.638 -0.101 20 0 JBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)CC1=O ZINC001298847036 1070076206 /nfs/dbraw/zinc/07/62/06/1070076206.db2.gz OBUIIECUHWCPIN-AWEZNQCLSA-N 1 0 458.519 -0.180 20 0 JBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)CC1=O ZINC001298847037 1070076813 /nfs/dbraw/zinc/07/68/13/1070076813.db2.gz OBUIIECUHWCPIN-CQSZACIVSA-N 1 0 458.519 -0.180 20 0 JBADRO CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)[C@H]1c1ccnn1C ZINC001298848559 1070076983 /nfs/dbraw/zinc/07/69/83/1070076983.db2.gz VSXWQNJAUXMACT-BEVDRBHNSA-N 1 0 450.540 -0.996 20 0 JBADRO CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)[C@H]1c1ccnn1C ZINC001298848566 1070076905 /nfs/dbraw/zinc/07/69/05/1070076905.db2.gz VSXWQNJAUXMACT-YSGRDPCXSA-N 1 0 450.540 -0.996 20 0 JBADRO Cn1cccc1-c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001298861699 1070076544 /nfs/dbraw/zinc/07/65/44/1070076544.db2.gz MAJWUDROHHNWKR-UHFFFAOYSA-N 1 0 464.596 -0.423 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001298877123 1070077453 /nfs/dbraw/zinc/07/74/53/1070077453.db2.gz BXQRZLZYTJXDRG-FQEVSTJZSA-N 1 0 498.631 -0.503 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001298877124 1070077535 /nfs/dbraw/zinc/07/75/35/1070077535.db2.gz BXQRZLZYTJXDRG-HXUWFJFHSA-N 1 0 498.631 -0.503 20 0 JBADRO CN(C[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001298879896 1070077243 /nfs/dbraw/zinc/07/72/43/1070077243.db2.gz RTASYZWRNVHAFD-DYESRHJHSA-N 1 0 483.639 -0.312 20 0 JBADRO CN(C[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001298879897 1070077671 /nfs/dbraw/zinc/07/76/71/1070077671.db2.gz RTASYZWRNVHAFD-LAUBAEHRSA-N 1 0 483.639 -0.312 20 0 JBADRO CN(C[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001298879898 1070077205 /nfs/dbraw/zinc/07/72/05/1070077205.db2.gz RTASYZWRNVHAFD-UTKZUKDTSA-N 1 0 483.639 -0.312 20 0 JBADRO CN(C[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001298879899 1070077391 /nfs/dbraw/zinc/07/73/91/1070077391.db2.gz RTASYZWRNVHAFD-UWJYYQICSA-N 1 0 483.639 -0.312 20 0 JBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCCCO)C2CC2)C1 ZINC001298880810 1070078086 /nfs/dbraw/zinc/07/80/86/1070078086.db2.gz AHLDUPSGVHMWGE-FXAWDEMLSA-N 1 0 472.612 -0.581 20 0 JBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCCCO)C2CC2)C1 ZINC001298880811 1070078720 /nfs/dbraw/zinc/07/87/20/1070078720.db2.gz AHLDUPSGVHMWGE-PXNSSMCTSA-N 1 0 472.612 -0.581 20 0 JBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCCCO)C2CC2)C1 ZINC001298880812 1070078366 /nfs/dbraw/zinc/07/83/66/1070078366.db2.gz AHLDUPSGVHMWGE-XLIONFOSSA-N 1 0 472.612 -0.581 20 0 JBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCCCO)C2CC2)C1 ZINC001298880813 1070077981 /nfs/dbraw/zinc/07/79/81/1070077981.db2.gz AHLDUPSGVHMWGE-YLJYHZDGSA-N 1 0 472.612 -0.581 20 0 JBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881557 1070079602 /nfs/dbraw/zinc/07/96/02/1070079602.db2.gz HJUSDCJQMJDMJY-GHTZIAJQSA-N 1 0 486.639 -0.334 20 0 JBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881558 1070078985 /nfs/dbraw/zinc/07/89/85/1070078985.db2.gz HJUSDCJQMJDMJY-NQIIRXRSSA-N 1 0 486.639 -0.334 20 0 JBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881559 1070079332 /nfs/dbraw/zinc/07/93/32/1070079332.db2.gz HJUSDCJQMJDMJY-RXVVDRJESA-N 1 0 486.639 -0.334 20 0 JBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CCCO)CC2)C1 ZINC001298881560 1070078952 /nfs/dbraw/zinc/07/89/52/1070078952.db2.gz HJUSDCJQMJDMJY-WIYYLYMNSA-N 1 0 486.639 -0.334 20 0 JBADRO CN(C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001298882059 1070079096 /nfs/dbraw/zinc/07/90/96/1070079096.db2.gz OXZPKTLFADCBAR-FQEVSTJZSA-N 1 0 469.612 -0.673 20 0 JBADRO CN(C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001298882060 1070079636 /nfs/dbraw/zinc/07/96/36/1070079636.db2.gz OXZPKTLFADCBAR-HXUWFJFHSA-N 1 0 469.612 -0.673 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001298887672 1070079494 /nfs/dbraw/zinc/07/94/94/1070079494.db2.gz KQCMLYGVZITGKE-IBGZPJMESA-N 1 0 490.634 -0.102 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001298887678 1070079365 /nfs/dbraw/zinc/07/93/65/1070079365.db2.gz KQCMLYGVZITGKE-LJQANCHMSA-N 1 0 490.634 -0.102 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001298888196 1070079423 /nfs/dbraw/zinc/07/94/23/1070079423.db2.gz MXTQITSEQQKWGE-IBGZPJMESA-N 1 0 490.634 -0.102 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001298888197 1070078888 /nfs/dbraw/zinc/07/88/88/1070078888.db2.gz MXTQITSEQQKWGE-LJQANCHMSA-N 1 0 490.634 -0.102 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001298888213 1070079017 /nfs/dbraw/zinc/07/90/17/1070079017.db2.gz NGYGAKXHVQNHTM-KRWDZBQOSA-N 1 0 464.596 -0.144 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001298888220 1070079257 /nfs/dbraw/zinc/07/92/57/1070079257.db2.gz NGYGAKXHVQNHTM-QGZVFWFLSA-N 1 0 464.596 -0.144 20 0 JBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCS(C)(=O)=O)CC1 ZINC001298888271 1070079546 /nfs/dbraw/zinc/07/95/46/1070079546.db2.gz NRAMWNUKUBVNHF-DLBZAZTESA-N 1 0 454.597 -0.041 20 0 JBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(C)(=O)=O)CC1 ZINC001298888272 1070079674 /nfs/dbraw/zinc/07/96/74/1070079674.db2.gz NRAMWNUKUBVNHF-IAGOWNOFSA-N 1 0 454.597 -0.041 20 0 JBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCS(C)(=O)=O)CC1 ZINC001298888273 1070079137 /nfs/dbraw/zinc/07/91/37/1070079137.db2.gz NRAMWNUKUBVNHF-IRXDYDNUSA-N 1 0 454.597 -0.041 20 0 JBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(C)(=O)=O)CC1 ZINC001298888274 1070079200 /nfs/dbraw/zinc/07/92/00/1070079200.db2.gz NRAMWNUKUBVNHF-SJORKVTESA-N 1 0 454.597 -0.041 20 0 JBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001298889450 1070080552 /nfs/dbraw/zinc/08/05/52/1070080552.db2.gz SZOKXMFUYDJWRH-HRAATJIYSA-N 1 0 468.624 -0.132 20 0 JBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001298889451 1070080027 /nfs/dbraw/zinc/08/00/27/1070080027.db2.gz SZOKXMFUYDJWRH-IERDGZPVSA-N 1 0 468.624 -0.132 20 0 JBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001298889452 1070079925 /nfs/dbraw/zinc/07/99/25/1070079925.db2.gz SZOKXMFUYDJWRH-IIBYNOLFSA-N 1 0 468.624 -0.132 20 0 JBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001298889453 1070080288 /nfs/dbraw/zinc/08/02/88/1070080288.db2.gz SZOKXMFUYDJWRH-KKSFZXQISA-N 1 0 468.624 -0.132 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001298889979 1070080226 /nfs/dbraw/zinc/08/02/26/1070080226.db2.gz XSHFBRMKTZTISB-KRWDZBQOSA-N 1 0 464.596 -0.093 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001298889980 1070080368 /nfs/dbraw/zinc/08/03/68/1070080368.db2.gz XSHFBRMKTZTISB-QGZVFWFLSA-N 1 0 464.596 -0.093 20 0 JBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3cnccn3)n2CCNS(C)(=O)=O)CC1 ZINC001298890028 1070080078 /nfs/dbraw/zinc/08/00/78/1070080078.db2.gz YWFLOANDFREMNK-INIZCTEOSA-N 1 0 463.568 -0.973 20 0 JBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3cnccn3)n2CCNS(C)(=O)=O)CC1 ZINC001298890029 1070080479 /nfs/dbraw/zinc/08/04/79/1070080479.db2.gz YWFLOANDFREMNK-MRXNPFEDSA-N 1 0 463.568 -0.973 20 0 JBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCS(C)(=O)=O)CC1 ZINC001298890159 1070080423 /nfs/dbraw/zinc/08/04/23/1070080423.db2.gz ZPQMXCUZXOCXDF-KRWDZBQOSA-N 1 0 481.623 -0.308 20 0 JBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCS(C)(=O)=O)CC1 ZINC001298890160 1070080151 /nfs/dbraw/zinc/08/01/51/1070080151.db2.gz ZPQMXCUZXOCXDF-QGZVFWFLSA-N 1 0 481.623 -0.308 20 0 JBADRO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCCC2)CC1=O ZINC001298892344 1070080533 /nfs/dbraw/zinc/08/05/33/1070080533.db2.gz FOCFGKCPGXNQLF-INIZCTEOSA-N 1 0 469.612 -0.236 20 0 JBADRO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCCC2)CC1=O ZINC001298892345 1070080882 /nfs/dbraw/zinc/08/08/82/1070080882.db2.gz FOCFGKCPGXNQLF-MRXNPFEDSA-N 1 0 469.612 -0.236 20 0 JBADRO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1=O ZINC001298892551 1070081238 /nfs/dbraw/zinc/08/12/38/1070081238.db2.gz FVSOTQUPYNQKJH-INIZCTEOSA-N 1 0 455.585 -0.625 20 0 JBADRO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1=O ZINC001298892555 1070081119 /nfs/dbraw/zinc/08/11/19/1070081119.db2.gz FVSOTQUPYNQKJH-MRXNPFEDSA-N 1 0 455.585 -0.625 20 0 JBADRO C[N@@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001298895738 1070081187 /nfs/dbraw/zinc/08/11/87/1070081187.db2.gz DHRAQPDLHBZMFM-DLBZAZTESA-N 1 0 467.640 -0.092 20 0 JBADRO C[N@@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001298895739 1070080921 /nfs/dbraw/zinc/08/09/21/1070080921.db2.gz DHRAQPDLHBZMFM-IAGOWNOFSA-N 1 0 467.640 -0.092 20 0 JBADRO C[N@@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)CC1(C)C ZINC001298895740 1070080809 /nfs/dbraw/zinc/08/08/09/1070080809.db2.gz DHRAQPDLHBZMFM-IRXDYDNUSA-N 1 0 467.640 -0.092 20 0 JBADRO C[N@@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1(C)C ZINC001298895741 1070081060 /nfs/dbraw/zinc/08/10/60/1070081060.db2.gz DHRAQPDLHBZMFM-SJORKVTESA-N 1 0 467.640 -0.092 20 0 JBADRO C[N@@H+]1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1(C)C ZINC001298903390 1070081512 /nfs/dbraw/zinc/08/15/12/1070081512.db2.gz OLNHKWLUKLZTJU-UHFFFAOYSA-N 1 0 496.682 -0.056 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298954809 1070082937 /nfs/dbraw/zinc/08/29/37/1070082937.db2.gz WWSMVVNXLIUBKP-CVEARBPZSA-N 1 0 472.660 -0.267 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298954811 1070082510 /nfs/dbraw/zinc/08/25/10/1070082510.db2.gz WWSMVVNXLIUBKP-HOTGVXAUSA-N 1 0 472.660 -0.267 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298954812 1070082688 /nfs/dbraw/zinc/08/26/88/1070082688.db2.gz WWSMVVNXLIUBKP-HZPDHXFCSA-N 1 0 472.660 -0.267 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298954813 1070083104 /nfs/dbraw/zinc/08/31/04/1070083104.db2.gz WWSMVVNXLIUBKP-JKSUJKDBSA-N 1 0 472.660 -0.267 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1 ZINC001298980861 1070083557 /nfs/dbraw/zinc/08/35/57/1070083557.db2.gz ADRCWOXJFRQAGE-DLBZAZTESA-N 1 0 471.628 -0.085 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1 ZINC001298980867 1070083778 /nfs/dbraw/zinc/08/37/78/1070083778.db2.gz ADRCWOXJFRQAGE-IAGOWNOFSA-N 1 0 471.628 -0.085 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1 ZINC001298980869 1070083592 /nfs/dbraw/zinc/08/35/92/1070083592.db2.gz ADRCWOXJFRQAGE-IRXDYDNUSA-N 1 0 471.628 -0.085 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCCC1 ZINC001298980872 1070083497 /nfs/dbraw/zinc/08/34/97/1070083497.db2.gz ADRCWOXJFRQAGE-SJORKVTESA-N 1 0 471.628 -0.085 20 0 JBADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C(C)C)C1 ZINC001299022472 1070084704 /nfs/dbraw/zinc/08/47/04/1070084704.db2.gz HWSXWEIYOWMPDW-JXFKEZNVSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C(C)C)C1 ZINC001299022489 1070085109 /nfs/dbraw/zinc/08/51/09/1070085109.db2.gz HWSXWEIYOWMPDW-OXJNMPFZSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C(C)C)C1 ZINC001299022492 1070084899 /nfs/dbraw/zinc/08/48/99/1070084899.db2.gz HWSXWEIYOWMPDW-OXQOHEQNSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C(C)C)C1 ZINC001299022496 1070084751 /nfs/dbraw/zinc/08/47/51/1070084751.db2.gz HWSXWEIYOWMPDW-UZLBHIALSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)c1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001299040925 1070086306 /nfs/dbraw/zinc/08/63/06/1070086306.db2.gz PILYDFQPLBNBAA-BTYIYWSLSA-N 1 0 479.607 -0.049 20 0 JBADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001299040930 1070086087 /nfs/dbraw/zinc/08/60/87/1070086087.db2.gz PILYDFQPLBNBAA-QVKFZJNVSA-N 1 0 479.607 -0.049 20 0 JBADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001299040931 1070086256 /nfs/dbraw/zinc/08/62/56/1070086256.db2.gz PILYDFQPLBNBAA-VFNWGFHPSA-N 1 0 479.607 -0.049 20 0 JBADRO CNC(=O)c1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001299040932 1070086382 /nfs/dbraw/zinc/08/63/82/1070086382.db2.gz PILYDFQPLBNBAA-YCRPNKLZSA-N 1 0 479.607 -0.049 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299103284 1070088045 /nfs/dbraw/zinc/08/80/45/1070088045.db2.gz XAAZEIXPJXFMTR-DOTOQJQBSA-N 1 0 471.628 -0.303 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299103285 1070088401 /nfs/dbraw/zinc/08/84/01/1070088401.db2.gz XAAZEIXPJXFMTR-NVXWUHKLSA-N 1 0 471.628 -0.303 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299103286 1070089093 /nfs/dbraw/zinc/08/90/93/1070089093.db2.gz XAAZEIXPJXFMTR-RDJZCZTQSA-N 1 0 471.628 -0.303 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299103287 1070088935 /nfs/dbraw/zinc/08/89/35/1070088935.db2.gz XAAZEIXPJXFMTR-WBVHZDCISA-N 1 0 471.628 -0.303 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001299119718 1070089012 /nfs/dbraw/zinc/08/90/12/1070089012.db2.gz SOMBUEYMAXNRSB-GOSISDBHSA-N 1 0 481.623 -0.165 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001299119719 1070088804 /nfs/dbraw/zinc/08/88/04/1070088804.db2.gz SOMBUEYMAXNRSB-SFHVURJKSA-N 1 0 481.623 -0.165 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001299127769 1070090919 /nfs/dbraw/zinc/09/09/19/1070090919.db2.gz GSSUACQGBGUENA-BBWFWOEESA-N 1 0 451.572 -0.133 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001299127770 1070090965 /nfs/dbraw/zinc/09/09/65/1070090965.db2.gz GSSUACQGBGUENA-IXDOHACOSA-N 1 0 451.572 -0.133 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001299127771 1070090740 /nfs/dbraw/zinc/09/07/40/1070090740.db2.gz GSSUACQGBGUENA-ULQDDVLXSA-N 1 0 451.572 -0.133 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001299127772 1070090630 /nfs/dbraw/zinc/09/06/30/1070090630.db2.gz GSSUACQGBGUENA-ZACQAIPSSA-N 1 0 451.572 -0.133 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001299127813 1070090610 /nfs/dbraw/zinc/09/06/10/1070090610.db2.gz IPGRTJFDNMABIR-BBWFWOEESA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001299127818 1070090837 /nfs/dbraw/zinc/09/08/37/1070090837.db2.gz IPGRTJFDNMABIR-IKGGRYGDSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001299127820 1070090870 /nfs/dbraw/zinc/09/08/70/1070090870.db2.gz IPGRTJFDNMABIR-ULQDDVLXSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001299127822 1070090705 /nfs/dbraw/zinc/09/07/05/1070090705.db2.gz IPGRTJFDNMABIR-ZACQAIPSSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001299128635 1070091629 /nfs/dbraw/zinc/09/16/29/1070091629.db2.gz NIJISJSVBINPMZ-INIZCTEOSA-N 1 0 450.588 -0.607 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001299128637 1070091316 /nfs/dbraw/zinc/09/13/16/1070091316.db2.gz NIJISJSVBINPMZ-MRXNPFEDSA-N 1 0 450.588 -0.607 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001299129696 1070092910 /nfs/dbraw/zinc/09/29/10/1070092910.db2.gz ZEESEDKAOKYHHQ-IBGZPJMESA-N 1 0 476.626 -0.261 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001299129698 1070092939 /nfs/dbraw/zinc/09/29/39/1070092939.db2.gz ZEESEDKAOKYHHQ-LJQANCHMSA-N 1 0 476.626 -0.261 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)[NH+](C)C)CCO1 ZINC001299129754 1070092897 /nfs/dbraw/zinc/09/28/97/1070092897.db2.gz ZAIOSNOMZGVISA-JYJNAYRXSA-N 1 0 459.617 -0.184 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)[NH+](C)C)CCO1 ZINC001299129755 1070092619 /nfs/dbraw/zinc/09/26/19/1070092619.db2.gz ZAIOSNOMZGVISA-OAGGEKHMSA-N 1 0 459.617 -0.184 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)[NH+](C)C)CCO1 ZINC001299129766 1070092882 /nfs/dbraw/zinc/09/28/82/1070092882.db2.gz ZAIOSNOMZGVISA-PMPSAXMXSA-N 1 0 459.617 -0.184 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)[NH+](C)C)CCO1 ZINC001299129767 1070092543 /nfs/dbraw/zinc/09/25/43/1070092543.db2.gz ZAIOSNOMZGVISA-XHSDSOJGSA-N 1 0 459.617 -0.184 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299133705 1070093420 /nfs/dbraw/zinc/09/34/20/1070093420.db2.gz JLUBUUDADUKTGE-AVRDEDQJSA-N 1 0 460.535 -0.020 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299133706 1070093490 /nfs/dbraw/zinc/09/34/90/1070093490.db2.gz JLUBUUDADUKTGE-GCJKJVERSA-N 1 0 460.535 -0.020 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299133707 1070093626 /nfs/dbraw/zinc/09/36/26/1070093626.db2.gz JLUBUUDADUKTGE-PGRDOPGGSA-N 1 0 460.535 -0.020 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299133708 1070093253 /nfs/dbraw/zinc/09/32/53/1070093253.db2.gz JLUBUUDADUKTGE-XMSQKQJNSA-N 1 0 460.535 -0.020 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001299141195 1070094188 /nfs/dbraw/zinc/09/41/88/1070094188.db2.gz NLKGHZIJIAMFAL-IBGZPJMESA-N 1 0 459.599 -0.097 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001299141196 1070093990 /nfs/dbraw/zinc/09/39/90/1070093990.db2.gz NLKGHZIJIAMFAL-LJQANCHMSA-N 1 0 459.599 -0.097 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001299143347 1070094730 /nfs/dbraw/zinc/09/47/30/1070094730.db2.gz ATZACAMZPRGZOL-DLBZAZTESA-N 1 0 499.638 -0.563 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001299143348 1070094961 /nfs/dbraw/zinc/09/49/61/1070094961.db2.gz ATZACAMZPRGZOL-IAGOWNOFSA-N 1 0 499.638 -0.563 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001299143349 1070094812 /nfs/dbraw/zinc/09/48/12/1070094812.db2.gz ATZACAMZPRGZOL-IRXDYDNUSA-N 1 0 499.638 -0.563 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001299143350 1070094793 /nfs/dbraw/zinc/09/47/93/1070094793.db2.gz ATZACAMZPRGZOL-SJORKVTESA-N 1 0 499.638 -0.563 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 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CVPAPSAOALJZDK-IAGOWNOFSA-N 1 0 469.612 -0.188 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001299250360 1068352039 /nfs/dbraw/zinc/35/20/39/1068352039.db2.gz CVPAPSAOALJZDK-IRXDYDNUSA-N 1 0 469.612 -0.188 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001299250561 1068352260 /nfs/dbraw/zinc/35/22/60/1068352260.db2.gz CVPAPSAOALJZDK-SJORKVTESA-N 1 0 469.612 -0.188 20 0 JBADRO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001299250648 1068352380 /nfs/dbraw/zinc/35/23/80/1068352380.db2.gz DZMAWSJXCBUILB-GOSISDBHSA-N 1 0 499.638 -0.704 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001299250649 1068352277 /nfs/dbraw/zinc/35/22/77/1068352277.db2.gz DZMAWSJXCBUILB-SFHVURJKSA-N 1 0 499.638 -0.704 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001299252780 1068353071 /nfs/dbraw/zinc/35/30/71/1068353071.db2.gz 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BZXMOHVTXHGNGV-CQSZACIVSA-N 1 0 460.630 -0.602 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001299268442 1068399843 /nfs/dbraw/zinc/39/98/43/1068399843.db2.gz CGXYXHSBFWJBOT-DLBZAZTESA-N 1 0 486.643 -0.149 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001299268444 1068399624 /nfs/dbraw/zinc/39/96/24/1068399624.db2.gz CGXYXHSBFWJBOT-IAGOWNOFSA-N 1 0 486.643 -0.149 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001299268446 1068399738 /nfs/dbraw/zinc/39/97/38/1068399738.db2.gz CGXYXHSBFWJBOT-IRXDYDNUSA-N 1 0 486.643 -0.149 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001299268511 1068399553 /nfs/dbraw/zinc/39/95/53/1068399553.db2.gz CGXYXHSBFWJBOT-SJORKVTESA-N 1 0 486.643 -0.149 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001299269981 1068402059 /nfs/dbraw/zinc/40/20/59/1068402059.db2.gz TXFAFLQKDXCCBR-KBXCAEBGSA-N 1 0 474.657 -0.213 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001299269997 1068402314 /nfs/dbraw/zinc/40/23/14/1068402314.db2.gz TXFAFLQKDXCCBR-KDOFPFPSSA-N 1 0 474.657 -0.213 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001299270000 1068402116 /nfs/dbraw/zinc/40/21/16/1068402116.db2.gz TXFAFLQKDXCCBR-KSSFIOAISA-N 1 0 474.657 -0.213 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001299270004 1068401920 /nfs/dbraw/zinc/40/19/20/1068401920.db2.gz TXFAFLQKDXCCBR-RDTXWAMCSA-N 1 0 474.657 -0.213 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001299282044 1068418655 /nfs/dbraw/zinc/41/86/55/1068418655.db2.gz APYYHBBDLIANLU-MSOLQXFVSA-N 1 0 498.654 -0.196 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001299282045 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ZINC001299296520 1068432391 /nfs/dbraw/zinc/43/23/91/1068432391.db2.gz OOCOHOOYWLFJQM-MRXNPFEDSA-N 1 0 469.612 -0.247 20 0 JBADRO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001299296823 1068433623 /nfs/dbraw/zinc/43/36/23/1068433623.db2.gz QMECQYQGQZRHHC-UHFFFAOYSA-N 1 0 469.612 -0.388 20 0 JBADRO CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001299296991 1068433641 /nfs/dbraw/zinc/43/36/41/1068433641.db2.gz PCVXCTZHPNJHKG-HNNXBMFYSA-N 1 0 477.657 -0.108 20 0 JBADRO CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001299296993 1068433450 /nfs/dbraw/zinc/43/34/50/1068433450.db2.gz PCVXCTZHPNJHKG-OAHLLOKOSA-N 1 0 477.657 -0.108 20 0 JBADRO CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001299297018 1068433648 /nfs/dbraw/zinc/43/36/48/1068433648.db2.gz PGGVIKIMDXVKQF-CVEARBPZSA-N 1 0 477.657 -0.250 20 0 JBADRO CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001299297020 1068433660 /nfs/dbraw/zinc/43/36/60/1068433660.db2.gz PGGVIKIMDXVKQF-HOTGVXAUSA-N 1 0 477.657 -0.250 20 0 JBADRO CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001299297022 1068433343 /nfs/dbraw/zinc/43/33/43/1068433343.db2.gz PGGVIKIMDXVKQF-HZPDHXFCSA-N 1 0 477.657 -0.250 20 0 JBADRO CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001299297024 1068434247 /nfs/dbraw/zinc/43/42/47/1068434247.db2.gz PGGVIKIMDXVKQF-JKSUJKDBSA-N 1 0 477.657 -0.250 20 0 JBADRO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001299297095 1068434169 /nfs/dbraw/zinc/43/41/69/1068434169.db2.gz UFMVANBOJSMHAT-UHFFFAOYSA-N 1 0 484.671 -0.040 20 0 JBADRO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001299306125 1068476671 /nfs/dbraw/zinc/47/66/71/1068476671.db2.gz MJEYJVJZYQVQCV-APWZRJJASA-N 1 0 493.638 -0.393 20 0 JBADRO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001299306126 1068476897 /nfs/dbraw/zinc/47/68/97/1068476897.db2.gz MJEYJVJZYQVQCV-LPHOPBHVSA-N 1 0 493.638 -0.393 20 0 JBADRO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001299306127 1068477083 /nfs/dbraw/zinc/47/70/83/1068477083.db2.gz MJEYJVJZYQVQCV-QFBILLFUSA-N 1 0 493.638 -0.393 20 0 JBADRO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001299306128 1068476830 /nfs/dbraw/zinc/47/68/30/1068476830.db2.gz MJEYJVJZYQVQCV-VQIMIIECSA-N 1 0 493.638 -0.393 20 0 JBADRO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001299306888 1068477522 /nfs/dbraw/zinc/47/75/22/1068477522.db2.gz WTUOFIKBOMBDOP-UHFFFAOYSA-N 1 0 450.569 -0.433 20 0 JBADRO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001299313379 1068478216 /nfs/dbraw/zinc/47/82/16/1068478216.db2.gz ZTBUQKPSTSNPGJ-GOSISDBHSA-N 1 0 482.655 -0.227 20 0 JBADRO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001299313380 1068478371 /nfs/dbraw/zinc/47/83/71/1068478371.db2.gz ZTBUQKPSTSNPGJ-SFHVURJKSA-N 1 0 482.655 -0.227 20 0 JBADRO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001299314331 1068478937 /nfs/dbraw/zinc/47/89/37/1068478937.db2.gz DKMVJDBMLCFVSR-DLBZAZTESA-N 1 0 490.652 -0.722 20 0 JBADRO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001299314332 1068478894 /nfs/dbraw/zinc/47/88/94/1068478894.db2.gz DKMVJDBMLCFVSR-IRXDYDNUSA-N 1 0 490.652 -0.722 20 0 JBADRO CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001299314402 1068479752 /nfs/dbraw/zinc/47/97/52/1068479752.db2.gz GAEXTWXSIXXPCK-MSOLQXFVSA-N 1 0 455.629 -0.064 20 0 JBADRO CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001299314403 1068479656 /nfs/dbraw/zinc/47/96/56/1068479656.db2.gz GAEXTWXSIXXPCK-QZTJIDSGSA-N 1 0 455.629 -0.064 20 0 JBADRO CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 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ZINC001301876528 1070166523 /nfs/dbraw/zinc/16/65/23/1070166523.db2.gz XKNSAUVESBSLQM-OWCLPIDISA-N 1 0 471.628 -0.040 20 0 JBADRO COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001301876530 1070166425 /nfs/dbraw/zinc/16/64/25/1070166425.db2.gz XKNSAUVESBSLQM-PMPSAXMXSA-N 1 0 471.628 -0.040 20 0 JBADRO CC(=O)NCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001301886101 1070166479 /nfs/dbraw/zinc/16/64/79/1070166479.db2.gz DZKZGJGLJNETJL-CRAIPNDOSA-N 1 0 471.628 -0.086 20 0 JBADRO CC(=O)NCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001301886103 1070166400 /nfs/dbraw/zinc/16/64/00/1070166400.db2.gz DZKZGJGLJNETJL-MAUKXSAKSA-N 1 0 471.628 -0.086 20 0 JBADRO CC(=O)NCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001301886105 1070167446 /nfs/dbraw/zinc/16/74/46/1070167446.db2.gz DZKZGJGLJNETJL-QAPCUYQASA-N 1 0 471.628 -0.086 20 0 JBADRO CC(=O)NCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001301886107 1070167485 /nfs/dbraw/zinc/16/74/85/1070167485.db2.gz DZKZGJGLJNETJL-YJBOKZPZSA-N 1 0 471.628 -0.086 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC001301892903 1070168127 /nfs/dbraw/zinc/16/81/27/1070168127.db2.gz GNSJZVNCVKCEAV-QGPMSJSTSA-N 1 0 469.612 -0.286 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC001301892906 1070168318 /nfs/dbraw/zinc/16/83/18/1070168318.db2.gz GNSJZVNCVKCEAV-QILLFSRXSA-N 1 0 469.612 -0.286 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC001301892909 1070168104 /nfs/dbraw/zinc/16/81/04/1070168104.db2.gz GNSJZVNCVKCEAV-UWWQBHOKSA-N 1 0 469.612 -0.286 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC001301892912 1070168300 /nfs/dbraw/zinc/16/83/00/1070168300.db2.gz GNSJZVNCVKCEAV-YXJHDRRASA-N 1 0 469.612 -0.286 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301892937 1070168277 /nfs/dbraw/zinc/16/82/77/1070168277.db2.gz GUHDMZDESXPFAG-JFIYKMOQSA-N 1 0 471.628 -0.039 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001301892939 1070168288 /nfs/dbraw/zinc/16/82/88/1070168288.db2.gz GUHDMZDESXPFAG-LZLYRXPVSA-N 1 0 471.628 -0.039 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301892941 1070168086 /nfs/dbraw/zinc/16/80/86/1070168086.db2.gz GUHDMZDESXPFAG-SOLBZPMBSA-N 1 0 471.628 -0.039 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001301893067 1070168207 /nfs/dbraw/zinc/16/82/07/1070168207.db2.gz GUHDMZDESXPFAG-XYJFISCASA-N 1 0 471.628 -0.039 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001301893662 1070169074 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ZINC001301901998 1070170473 /nfs/dbraw/zinc/17/04/73/1070170473.db2.gz FFFPROTYBXBGJI-MSOLQXFVSA-N 1 0 487.627 -0.708 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001301901999 1070171339 /nfs/dbraw/zinc/17/13/39/1070171339.db2.gz FFFPROTYBXBGJI-QZTJIDSGSA-N 1 0 487.627 -0.708 20 0 JBADRO CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001301902000 1070171246 /nfs/dbraw/zinc/17/12/46/1070171246.db2.gz FFFPROTYBXBGJI-ROUUACIJSA-N 1 0 487.627 -0.708 20 0 JBADRO CC(=O)NC[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001301902001 1070171364 /nfs/dbraw/zinc/17/13/64/1070171364.db2.gz FFFPROTYBXBGJI-ZWKOTPCHSA-N 1 0 487.627 -0.708 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001301904143 1070172069 /nfs/dbraw/zinc/17/20/69/1070172069.db2.gz VOSBWRBCCIQFBK-CEXWTWQISA-N 1 0 499.638 -0.708 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001301904144 1070172046 /nfs/dbraw/zinc/17/20/46/1070172046.db2.gz VOSBWRBCCIQFBK-GUDVDZBRSA-N 1 0 499.638 -0.708 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001301904145 1070171921 /nfs/dbraw/zinc/17/19/21/1070171921.db2.gz VOSBWRBCCIQFBK-QRVBRYPASA-N 1 0 499.638 -0.708 20 0 JBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001301904146 1070171990 /nfs/dbraw/zinc/17/19/90/1070171990.db2.gz VOSBWRBCCIQFBK-QYZOEREBSA-N 1 0 499.638 -0.708 20 0 JBADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C ZINC001301908187 1070172644 /nfs/dbraw/zinc/17/26/44/1070172644.db2.gz WIIRJSZLZYZKDW-BBWFWOEESA-N 1 0 469.612 -0.190 20 0 JBADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C ZINC001301908188 1070172854 /nfs/dbraw/zinc/17/28/54/1070172854.db2.gz 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/nfs/dbraw/zinc/23/29/16/1070232916.db2.gz CZVYGDDAMOYBQK-RTWAWAEBSA-N 1 0 451.612 -0.388 20 0 JBADRO O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303049260 1070232605 /nfs/dbraw/zinc/23/26/05/1070232605.db2.gz CZVYGDDAMOYBQK-SFTDATJTSA-N 1 0 451.612 -0.388 20 0 JBADRO CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C(=O)C1 ZINC001303049526 1070233034 /nfs/dbraw/zinc/23/30/34/1070233034.db2.gz GKTILENRNWOVLK-GOSISDBHSA-N 1 0 453.584 -0.022 20 0 JBADRO CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C(=O)C1 ZINC001303049527 1070232704 /nfs/dbraw/zinc/23/27/04/1070232704.db2.gz GKTILENRNWOVLK-SFHVURJKSA-N 1 0 453.584 -0.022 20 0 JBADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001303172562 1070236324 /nfs/dbraw/zinc/23/63/24/1070236324.db2.gz JERYBADJLXSCQG-MSOLQXFVSA-N 1 0 474.610 -0.069 20 0 JBADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001303172563 1070236394 /nfs/dbraw/zinc/23/63/94/1070236394.db2.gz JERYBADJLXSCQG-QZTJIDSGSA-N 1 0 474.610 -0.069 20 0 JBADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001303172564 1070236411 /nfs/dbraw/zinc/23/64/11/1070236411.db2.gz JERYBADJLXSCQG-ROUUACIJSA-N 1 0 474.610 -0.069 20 0 JBADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001303172565 1070236235 /nfs/dbraw/zinc/23/62/35/1070236235.db2.gz JERYBADJLXSCQG-ZWKOTPCHSA-N 1 0 474.610 -0.069 20 0 JBADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 ZINC001303196251 1070236932 /nfs/dbraw/zinc/23/69/32/1070236932.db2.gz GVDGFQLWXKUDJY-KRWDZBQOSA-N 1 0 471.628 -0.133 20 0 JBADRO CC(C)C[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 ZINC001303196253 1070237167 /nfs/dbraw/zinc/23/71/67/1070237167.db2.gz GVDGFQLWXKUDJY-QGZVFWFLSA-N 1 0 471.628 -0.133 20 0 JBADRO CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1=O ZINC001303197363 1070236899 /nfs/dbraw/zinc/23/68/99/1070236899.db2.gz QADGWYJSYRBYEQ-DLBZAZTESA-N 1 0 471.628 -0.134 20 0 JBADRO CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1=O ZINC001303197364 1070236922 /nfs/dbraw/zinc/23/69/22/1070236922.db2.gz QADGWYJSYRBYEQ-IAGOWNOFSA-N 1 0 471.628 -0.134 20 0 JBADRO CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)CC1=O ZINC001303197365 1070237073 /nfs/dbraw/zinc/23/70/73/1070237073.db2.gz QADGWYJSYRBYEQ-IRXDYDNUSA-N 1 0 471.628 -0.134 20 0 JBADRO CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)CC1=O ZINC001303197366 1070237192 /nfs/dbraw/zinc/23/71/92/1070237192.db2.gz QADGWYJSYRBYEQ-SJORKVTESA-N 1 0 471.628 -0.134 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303201679 1070237027 /nfs/dbraw/zinc/23/70/27/1070237027.db2.gz ONBOCSUVUKJFEU-IKGGRYGDSA-N 1 0 471.628 -0.053 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303201680 1070236840 /nfs/dbraw/zinc/23/68/40/1070236840.db2.gz ONBOCSUVUKJFEU-IXDOHACOSA-N 1 0 471.628 -0.053 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303201681 1070237130 /nfs/dbraw/zinc/23/71/30/1070237130.db2.gz ONBOCSUVUKJFEU-ULQDDVLXSA-N 1 0 471.628 -0.053 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303201682 1070237249 /nfs/dbraw/zinc/23/72/49/1070237249.db2.gz ONBOCSUVUKJFEU-YESZJQIVSA-N 1 0 471.628 -0.053 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001303204560 1070236998 /nfs/dbraw/zinc/23/69/98/1070236998.db2.gz JVLRWSYQDQGVJC-CVEARBPZSA-N 1 0 457.601 -0.429 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001303204561 1070237207 /nfs/dbraw/zinc/23/72/07/1070237207.db2.gz JVLRWSYQDQGVJC-HOTGVXAUSA-N 1 0 457.601 -0.429 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001303204562 1070237095 /nfs/dbraw/zinc/23/70/95/1070237095.db2.gz JVLRWSYQDQGVJC-HZPDHXFCSA-N 1 0 457.601 -0.429 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001303204563 1070237832 /nfs/dbraw/zinc/23/78/32/1070237832.db2.gz JVLRWSYQDQGVJC-JKSUJKDBSA-N 1 0 457.601 -0.429 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001303207335 1070237635 /nfs/dbraw/zinc/23/76/35/1070237635.db2.gz UOMBUFDGAGCCFK-GOSISDBHSA-N 1 0 483.639 -0.161 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001303207336 1070237664 /nfs/dbraw/zinc/23/76/64/1070237664.db2.gz UOMBUFDGAGCCFK-SFHVURJKSA-N 1 0 483.639 -0.161 20 0 JBADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303207459 1070237725 /nfs/dbraw/zinc/23/77/25/1070237725.db2.gz YROBPGCMDXMXMG-MSOLQXFVSA-N 1 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/nfs/dbraw/zinc/23/78/61/1070237861.db2.gz OHMIMAYOTMTZOX-LQWHRVPQSA-N 1 0 486.639 -0.071 20 0 JBADRO CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001303228478 1070237686 /nfs/dbraw/zinc/23/76/86/1070237686.db2.gz OHMIMAYOTMTZOX-LVCYWYKZSA-N 1 0 486.639 -0.071 20 0 JBADRO CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001303228479 1070237911 /nfs/dbraw/zinc/23/79/11/1070237911.db2.gz OHMIMAYOTMTZOX-OPYAIIAOSA-N 1 0 486.639 -0.071 20 0 JBADRO CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001303261436 1070238362 /nfs/dbraw/zinc/23/83/62/1070238362.db2.gz ICZYVUPVABTWQK-INIZCTEOSA-N 1 0 469.550 -0.197 20 0 JBADRO CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001303261437 1070238521 /nfs/dbraw/zinc/23/85/21/1070238521.db2.gz ICZYVUPVABTWQK-MRXNPFEDSA-N 1 0 469.550 -0.197 20 0 JBADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001303265962 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GOSWLRPKYVEFDU-QLFBSQMISA-N 1 0 464.614 -0.816 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303721646 1070259467 /nfs/dbraw/zinc/25/94/67/1070259467.db2.gz GOSWLRPKYVEFDU-RBSFLKMASA-N 1 0 464.614 -0.816 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001303721739 1070259790 /nfs/dbraw/zinc/25/97/90/1070259790.db2.gz HPTUSIDPAKEDTH-NCOADZHNSA-N 1 0 469.612 -0.477 20 0 JBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001303721740 1070259781 /nfs/dbraw/zinc/25/97/81/1070259781.db2.gz HPTUSIDPAKEDTH-VVLHAWIVSA-N 1 0 469.612 -0.477 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001303721741 1070259503 /nfs/dbraw/zinc/25/95/03/1070259503.db2.gz HPTUSIDPAKEDTH-WCXIOVBPSA-N 1 0 469.612 -0.477 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001303721742 1070259630 /nfs/dbraw/zinc/25/96/30/1070259630.db2.gz HPTUSIDPAKEDTH-YVSFHVDLSA-N 1 0 469.612 -0.477 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001303722127 1070260328 /nfs/dbraw/zinc/26/03/28/1070260328.db2.gz LCHTVMXXSHRERH-ILXRZTDVSA-N 1 0 464.614 -0.816 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001303722128 1070260453 /nfs/dbraw/zinc/26/04/53/1070260453.db2.gz LCHTVMXXSHRERH-KFWWJZLASA-N 1 0 464.614 -0.816 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001303722129 1070260264 /nfs/dbraw/zinc/26/02/64/1070260264.db2.gz LCHTVMXXSHRERH-QLFBSQMISA-N 1 0 464.614 -0.816 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001303722130 1070260165 /nfs/dbraw/zinc/26/01/65/1070260165.db2.gz LCHTVMXXSHRERH-RBSFLKMASA-N 1 0 464.614 -0.816 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001303722375 1070260357 /nfs/dbraw/zinc/26/03/57/1070260357.db2.gz NVUCHRVYIWEYPD-BDXSIMOUSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001303722376 1070260126 /nfs/dbraw/zinc/26/01/26/1070260126.db2.gz NVUCHRVYIWEYPD-OWSLCNJRSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001303722377 1070260471 /nfs/dbraw/zinc/26/04/71/1070260471.db2.gz NVUCHRVYIWEYPD-TVFCKZIOSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001303722378 1070260421 /nfs/dbraw/zinc/26/04/21/1070260421.db2.gz NVUCHRVYIWEYPD-XDNAFOTISA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001303722808 1070260433 /nfs/dbraw/zinc/26/04/33/1070260433.db2.gz PTQRRKLGRSFXSX-ARGWCVDVSA-N 1 0 467.596 -0.055 20 0 JBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001303722810 1070260523 /nfs/dbraw/zinc/26/05/23/1070260523.db2.gz PTQRRKLGRSFXSX-CKNLXJGOSA-N 1 0 467.596 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001303722812 1070260234 /nfs/dbraw/zinc/26/02/34/1070260234.db2.gz PTQRRKLGRSFXSX-JZKQVHKSSA-N 1 0 467.596 -0.055 20 0 JBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001303722815 1070260143 /nfs/dbraw/zinc/26/01/43/1070260143.db2.gz PTQRRKLGRSFXSX-LAPQFRIASA-N 1 0 467.596 -0.055 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001303723035 1070260480 /nfs/dbraw/zinc/26/04/80/1070260480.db2.gz QYPMHSYJTBTLMG-DBXWQHBBSA-N 1 0 485.655 -0.138 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001303723037 1070260293 /nfs/dbraw/zinc/26/02/93/1070260293.db2.gz QYPMHSYJTBTLMG-LQWHRVPQSA-N 1 0 485.655 -0.138 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001303723038 1070260550 /nfs/dbraw/zinc/26/05/50/1070260550.db2.gz QYPMHSYJTBTLMG-LVCYWYKZSA-N 1 0 485.655 -0.138 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001303723039 1070261077 /nfs/dbraw/zinc/26/10/77/1070261077.db2.gz QYPMHSYJTBTLMG-OPYAIIAOSA-N 1 0 485.655 -0.138 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)[N@H+](C)C1CC1 ZINC001303723203 1070260872 /nfs/dbraw/zinc/26/08/72/1070260872.db2.gz RQYKQRZGZXZYDV-GDBMZVCRSA-N 1 0 460.626 -0.338 20 0 JBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)[N@H+](C)C1CC1 ZINC001303723206 1070261235 /nfs/dbraw/zinc/26/12/35/1070261235.db2.gz RQYKQRZGZXZYDV-GOEBONIOSA-N 1 0 460.626 -0.338 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)[N@H+](C)C1CC1 ZINC001303723207 1070261027 /nfs/dbraw/zinc/26/10/27/1070261027.db2.gz RQYKQRZGZXZYDV-HOCLYGCPSA-N 1 0 460.626 -0.338 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)[N@H+](C)C1CC1 ZINC001303723208 1070261196 /nfs/dbraw/zinc/26/11/96/1070261196.db2.gz RQYKQRZGZXZYDV-ZBFHGGJFSA-N 1 0 460.626 -0.338 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001303723695 1070260962 /nfs/dbraw/zinc/26/09/62/1070260962.db2.gz UTTHELDRJQIXAR-DLBZAZTESA-N 1 0 481.623 -0.599 20 0 JBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001303723696 1070261057 /nfs/dbraw/zinc/26/10/57/1070261057.db2.gz UTTHELDRJQIXAR-IAGOWNOFSA-N 1 0 481.623 -0.599 20 0 JBADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001303723697 1070261271 /nfs/dbraw/zinc/26/12/71/1070261271.db2.gz UTTHELDRJQIXAR-IRXDYDNUSA-N 1 0 481.623 -0.599 20 0 JBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001303723698 1070260838 /nfs/dbraw/zinc/26/08/38/1070260838.db2.gz UTTHELDRJQIXAR-SJORKVTESA-N 1 0 481.623 -0.599 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001303819634 1070264522 /nfs/dbraw/zinc/26/45/22/1070264522.db2.gz IQFLXUUVLXPRSH-IKGGRYGDSA-N 1 0 471.628 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001303819635 1070264763 /nfs/dbraw/zinc/26/47/63/1070264763.db2.gz IQFLXUUVLXPRSH-IXDOHACOSA-N 1 0 471.628 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001303819636 1070264804 /nfs/dbraw/zinc/26/48/04/1070264804.db2.gz IQFLXUUVLXPRSH-ULQDDVLXSA-N 1 0 471.628 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001303819638 1070264672 /nfs/dbraw/zinc/26/46/72/1070264672.db2.gz IQFLXUUVLXPRSH-YESZJQIVSA-N 1 0 471.628 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCOCC[NH+](C)C ZINC001303820544 1070265806 /nfs/dbraw/zinc/26/58/06/1070265806.db2.gz QFYXFCONWKPODK-ARFHVFGLSA-N 1 0 457.601 -0.286 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1CCOCC[NH+](C)C ZINC001303820545 1070266006 /nfs/dbraw/zinc/26/60/06/1070266006.db2.gz QFYXFCONWKPODK-HRCADAONSA-N 1 0 457.601 -0.286 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1CCOCC[NH+](C)C ZINC001303820546 1070266111 /nfs/dbraw/zinc/26/61/11/1070266111.db2.gz QFYXFCONWKPODK-JYJNAYRXSA-N 1 0 457.601 -0.286 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCOCC[NH+](C)C ZINC001303820547 1070265881 /nfs/dbraw/zinc/26/58/81/1070265881.db2.gz QFYXFCONWKPODK-XHSDSOJGSA-N 1 0 457.601 -0.286 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC[NH+]1CCOCC1 ZINC001303820710 1070266673 /nfs/dbraw/zinc/26/66/73/1070266673.db2.gz RRNCRTSCIIIXGJ-CVEARBPZSA-N 1 0 457.601 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCC[NH+]1CCOCC1 ZINC001303820711 1070266472 /nfs/dbraw/zinc/26/64/72/1070266472.db2.gz RRNCRTSCIIIXGJ-HOTGVXAUSA-N 1 0 457.601 -0.332 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC[NH+]1CCOCC1 ZINC001303820712 1070266384 /nfs/dbraw/zinc/26/63/84/1070266384.db2.gz RRNCRTSCIIIXGJ-HZPDHXFCSA-N 1 0 457.601 -0.332 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCC[NH+]1CCOCC1 ZINC001303820713 1070266577 /nfs/dbraw/zinc/26/65/77/1070266577.db2.gz RRNCRTSCIIIXGJ-JKSUJKDBSA-N 1 0 457.601 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001303822445 1070266633 /nfs/dbraw/zinc/26/66/33/1070266633.db2.gz BNQHQJSHXPJRPK-LTIDMASMSA-N 1 0 489.668 -0.015 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001303822448 1070266652 /nfs/dbraw/zinc/26/66/52/1070266652.db2.gz BNQHQJSHXPJRPK-LUKYLMHMSA-N 1 0 489.668 -0.015 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001303822449 1070266506 /nfs/dbraw/zinc/26/65/06/1070266506.db2.gz BNQHQJSHXPJRPK-MWDXBVQZSA-N 1 0 489.668 -0.015 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCCNS(C)(=O)=O ZINC001303823714 1070266962 /nfs/dbraw/zinc/26/69/62/1070266962.db2.gz QHVMDHRJYRZJNA-ILXRZTDVSA-N 1 0 463.630 -0.500 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCNS(C)(=O)=O ZINC001303823715 1070267226 /nfs/dbraw/zinc/26/72/26/1070267226.db2.gz QHVMDHRJYRZJNA-KKUMJFAQSA-N 1 0 463.630 -0.500 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCCNS(C)(=O)=O ZINC001303823716 1070267289 /nfs/dbraw/zinc/26/72/89/1070267289.db2.gz QHVMDHRJYRZJNA-QLFBSQMISA-N 1 0 463.630 -0.500 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCNS(C)(=O)=O ZINC001303823717 1070267141 /nfs/dbraw/zinc/26/71/41/1070267141.db2.gz QHVMDHRJYRZJNA-SOUVJXGZSA-N 1 0 463.630 -0.500 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001303828870 1070267948 /nfs/dbraw/zinc/26/79/48/1070267948.db2.gz PGUMCJZBSVKTFJ-BEFAXECRSA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001303828872 1070267701 /nfs/dbraw/zinc/26/77/01/1070267701.db2.gz PGUMCJZBSVKTFJ-DNVCBOLYSA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001303828875 1070267605 /nfs/dbraw/zinc/26/76/05/1070267605.db2.gz PGUMCJZBSVKTFJ-HNAYVOBHSA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001303828876 1070267761 /nfs/dbraw/zinc/26/77/61/1070267761.db2.gz PGUMCJZBSVKTFJ-KXBFYZLASA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303830510 1070267887 /nfs/dbraw/zinc/26/78/87/1070267887.db2.gz YXALTUOGXNJDPR-DOTOQJQBSA-N 1 0 470.644 -0.527 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303830526 1070267974 /nfs/dbraw/zinc/26/79/74/1070267974.db2.gz YXALTUOGXNJDPR-NVXWUHKLSA-N 1 0 470.644 -0.527 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303830612 1070267662 /nfs/dbraw/zinc/26/76/62/1070267662.db2.gz YXALTUOGXNJDPR-RDJZCZTQSA-N 1 0 470.644 -0.527 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303830614 1070267863 /nfs/dbraw/zinc/26/78/63/1070267863.db2.gz YXALTUOGXNJDPR-WBVHZDCISA-N 1 0 470.644 -0.527 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303837083 1070268892 /nfs/dbraw/zinc/26/88/92/1070268892.db2.gz SYCUQKGWMHCHJE-DLBZAZTESA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303837084 1070268827 /nfs/dbraw/zinc/26/88/27/1070268827.db2.gz SYCUQKGWMHCHJE-IAGOWNOFSA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303837085 1070269008 /nfs/dbraw/zinc/26/90/08/1070269008.db2.gz SYCUQKGWMHCHJE-IRXDYDNUSA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303837086 1070269109 /nfs/dbraw/zinc/26/91/09/1070269109.db2.gz SYCUQKGWMHCHJE-SJORKVTESA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001303837617 1070269643 /nfs/dbraw/zinc/26/96/43/1070269643.db2.gz ASHRMEZRQXCENB-CABCVRRESA-N 1 0 457.601 -0.157 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001303837618 1070269407 /nfs/dbraw/zinc/26/94/07/1070269407.db2.gz ASHRMEZRQXCENB-GJZGRUSLSA-N 1 0 457.601 -0.157 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001303837619 1070269577 /nfs/dbraw/zinc/26/95/77/1070269577.db2.gz ASHRMEZRQXCENB-HUUCEWRRSA-N 1 0 457.601 -0.157 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001303837620 1070269349 /nfs/dbraw/zinc/26/93/49/1070269349.db2.gz ASHRMEZRQXCENB-LSDHHAIUSA-N 1 0 457.601 -0.157 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001303837891 1070269546 /nfs/dbraw/zinc/26/95/46/1070269546.db2.gz BKQPHDNJQLQBSC-AWEZNQCLSA-N 1 0 465.646 -0.254 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001303837892 1070269680 /nfs/dbraw/zinc/26/96/80/1070269680.db2.gz BKQPHDNJQLQBSC-CQSZACIVSA-N 1 0 465.646 -0.254 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC(=O)N1CCOCC1 ZINC001303838352 1070270188 /nfs/dbraw/zinc/27/01/88/1070270188.db2.gz GZTRHKHEBGBOGG-DLBZAZTESA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC(=O)N1CCOCC1 ZINC001303838354 1070270345 /nfs/dbraw/zinc/27/03/45/1070270345.db2.gz GZTRHKHEBGBOGG-IAGOWNOFSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC(=O)N1CCOCC1 ZINC001303838355 1070270107 /nfs/dbraw/zinc/27/01/07/1070270107.db2.gz GZTRHKHEBGBOGG-IRXDYDNUSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC(=O)N1CCOCC1 ZINC001303838356 1070269982 /nfs/dbraw/zinc/26/99/82/1070269982.db2.gz GZTRHKHEBGBOGG-SJORKVTESA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCN1CCCS1(=O)=O ZINC001303839281 1070270263 /nfs/dbraw/zinc/27/02/63/1070270263.db2.gz OCNKSAPRHBEYFN-DLBZAZTESA-N 1 0 489.668 -0.012 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCN1CCCS1(=O)=O ZINC001303839283 1070270124 /nfs/dbraw/zinc/27/01/24/1070270124.db2.gz OCNKSAPRHBEYFN-IAGOWNOFSA-N 1 0 489.668 -0.012 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCN1CCCS1(=O)=O ZINC001303839285 1070270335 /nfs/dbraw/zinc/27/03/35/1070270335.db2.gz OCNKSAPRHBEYFN-IRXDYDNUSA-N 1 0 489.668 -0.012 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCN1CCCS1(=O)=O ZINC001303839288 1070270324 /nfs/dbraw/zinc/27/03/24/1070270324.db2.gz OCNKSAPRHBEYFN-SJORKVTESA-N 1 0 489.668 -0.012 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[NH+]1CCSCC1 ZINC001303839839 1070270236 /nfs/dbraw/zinc/27/02/36/1070270236.db2.gz AYXTYNFTFLGEAA-KBXCAEBGSA-N 1 0 457.626 -0.204 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[NH+]1CCSCC1 ZINC001303839842 1070270008 /nfs/dbraw/zinc/27/00/08/1070270008.db2.gz AYXTYNFTFLGEAA-KDOFPFPSSA-N 1 0 457.626 -0.204 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[NH+]1CCSCC1 ZINC001303839845 1070270058 /nfs/dbraw/zinc/27/00/58/1070270058.db2.gz AYXTYNFTFLGEAA-KSSFIOAISA-N 1 0 457.626 -0.204 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[NH+]1CCSCC1 ZINC001303839848 1070270030 /nfs/dbraw/zinc/27/00/30/1070270030.db2.gz AYXTYNFTFLGEAA-RDTXWAMCSA-N 1 0 457.626 -0.204 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303840516 1070270285 /nfs/dbraw/zinc/27/02/85/1070270285.db2.gz RLBBNLUKWOODAA-JLTOFOAXSA-N 1 0 469.612 -0.550 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303840544 1070270303 /nfs/dbraw/zinc/27/03/03/1070270303.db2.gz RLBBNLUKWOODAA-VBKZILBWSA-N 1 0 469.612 -0.550 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303840547 1070270555 /nfs/dbraw/zinc/27/05/55/1070270555.db2.gz RLBBNLUKWOODAA-VLIAUNLRSA-N 1 0 469.612 -0.550 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303840550 1070270711 /nfs/dbraw/zinc/27/07/11/1070270711.db2.gz RLBBNLUKWOODAA-XOBRGWDASA-N 1 0 469.612 -0.550 20 0 JBADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC(=O)N(C)C)C2)CC1 ZINC001303841684 1070271356 /nfs/dbraw/zinc/27/13/56/1070271356.db2.gz XHRRRPQMFFYJOI-MSOLQXFVSA-N 1 0 484.671 -0.029 20 0 JBADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC(=O)N(C)C)C2)CC1 ZINC001303841689 1070271238 /nfs/dbraw/zinc/27/12/38/1070271238.db2.gz XHRRRPQMFFYJOI-QZTJIDSGSA-N 1 0 484.671 -0.029 20 0 JBADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC(=O)N(C)C)C2)CC1 ZINC001303841911 1070271179 /nfs/dbraw/zinc/27/11/79/1070271179.db2.gz XHRRRPQMFFYJOI-ROUUACIJSA-N 1 0 484.671 -0.029 20 0 JBADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC(=O)N(C)C)C2)CC1 ZINC001303841914 1070271445 /nfs/dbraw/zinc/27/14/45/1070271445.db2.gz XHRRRPQMFFYJOI-ZWKOTPCHSA-N 1 0 484.671 -0.029 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001303842101 1070271211 /nfs/dbraw/zinc/27/12/11/1070271211.db2.gz ZJBKDKYVVQEIGG-AWEZNQCLSA-N 1 0 477.657 -0.109 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001303842102 1070271346 /nfs/dbraw/zinc/27/13/46/1070271346.db2.gz ZJBKDKYVVQEIGG-CQSZACIVSA-N 1 0 477.657 -0.109 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303842149 1070271150 /nfs/dbraw/zinc/27/11/50/1070271150.db2.gz ZVTACDISNGIZMO-AUUYWEPGSA-N 1 0 489.668 -0.204 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CCOCC[NH+](C)C ZINC001303842150 1070271975 /nfs/dbraw/zinc/27/19/75/1070271975.db2.gz KWPOFLNQBJDYQW-HNNXBMFYSA-N 1 0 457.601 -0.427 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CCOCC[NH+](C)C ZINC001303842151 1070271914 /nfs/dbraw/zinc/27/19/14/1070271914.db2.gz KWPOFLNQBJDYQW-OAHLLOKOSA-N 1 0 457.601 -0.427 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303842152 1070271433 /nfs/dbraw/zinc/27/14/33/1070271433.db2.gz ZVTACDISNGIZMO-IFXJQAMLSA-N 1 0 489.668 -0.204 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303842154 1070271932 /nfs/dbraw/zinc/27/19/32/1070271932.db2.gz ZVTACDISNGIZMO-KUHUBIRLSA-N 1 0 489.668 -0.204 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303842156 1070271876 /nfs/dbraw/zinc/27/18/76/1070271876.db2.gz ZVTACDISNGIZMO-LIRRHRJNSA-N 1 0 489.668 -0.204 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303842565 1070271711 /nfs/dbraw/zinc/27/17/11/1070271711.db2.gz QEJRAKNFFSKOIR-FOIQADDNSA-N 1 0 469.612 -0.596 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303842566 1070271853 /nfs/dbraw/zinc/27/18/53/1070271853.db2.gz QEJRAKNFFSKOIR-MGPUTAFESA-N 1 0 469.612 -0.596 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303842567 1070271986 /nfs/dbraw/zinc/27/19/86/1070271986.db2.gz QEJRAKNFFSKOIR-QRWLVFNGSA-N 1 0 469.612 -0.596 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303842568 1070271777 /nfs/dbraw/zinc/27/17/77/1070271777.db2.gz QEJRAKNFFSKOIR-YWZLYKJASA-N 1 0 469.612 -0.596 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303843794 1070272318 /nfs/dbraw/zinc/27/23/18/1070272318.db2.gz MEQBREPRMHDGIR-HRAATJIYSA-N 1 0 482.655 -0.369 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303843795 1070272597 /nfs/dbraw/zinc/27/25/97/1070272597.db2.gz MEQBREPRMHDGIR-IERDGZPVSA-N 1 0 482.655 -0.369 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303843796 1070272710 /nfs/dbraw/zinc/27/27/10/1070272710.db2.gz MEQBREPRMHDGIR-IIBYNOLFSA-N 1 0 482.655 -0.369 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303843797 1070272472 /nfs/dbraw/zinc/27/24/72/1070272472.db2.gz MEQBREPRMHDGIR-KKSFZXQISA-N 1 0 482.655 -0.369 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001303844101 1070272534 /nfs/dbraw/zinc/27/25/34/1070272534.db2.gz OWDGXBRAZQAELR-BEFAXECRSA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001303844102 1070272384 /nfs/dbraw/zinc/27/23/84/1070272384.db2.gz OWDGXBRAZQAELR-DNVCBOLYSA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001303844203 1070272699 /nfs/dbraw/zinc/27/26/99/1070272699.db2.gz OWDGXBRAZQAELR-HNAYVOBHSA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001303844204 1070272669 /nfs/dbraw/zinc/27/26/69/1070272669.db2.gz OWDGXBRAZQAELR-KXBFYZLASA-N 1 0 469.612 -0.285 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001303845111 1070273068 /nfs/dbraw/zinc/27/30/68/1070273068.db2.gz KWGANUVRSMZZGE-AWEZNQCLSA-N 1 0 452.585 -0.115 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001303845112 1070273160 /nfs/dbraw/zinc/27/31/60/1070273160.db2.gz KWGANUVRSMZZGE-CQSZACIVSA-N 1 0 452.585 -0.115 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001303847305 1070273199 /nfs/dbraw/zinc/27/31/99/1070273199.db2.gz CWRNYDSFHAOKEZ-BBWFWOEESA-N 1 0 492.668 -0.252 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001303847307 1070273248 /nfs/dbraw/zinc/27/32/48/1070273248.db2.gz CWRNYDSFHAOKEZ-GVDBMIGSSA-N 1 0 492.668 -0.252 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001303847309 1070273360 /nfs/dbraw/zinc/27/33/60/1070273360.db2.gz CWRNYDSFHAOKEZ-ULQDDVLXSA-N 1 0 492.668 -0.252 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001303847310 1070273336 /nfs/dbraw/zinc/27/33/36/1070273336.db2.gz CWRNYDSFHAOKEZ-YESZJQIVSA-N 1 0 492.668 -0.252 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H]1CCOC1 ZINC001303856015 1070274456 /nfs/dbraw/zinc/27/44/56/1070274456.db2.gz DCBGBQJGONPDGZ-BBWFWOEESA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H]1CCOC1 ZINC001303856016 1070274352 /nfs/dbraw/zinc/27/43/52/1070274352.db2.gz DCBGBQJGONPDGZ-GVDBMIGSSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H]1CCOC1 ZINC001303856017 1070274143 /nfs/dbraw/zinc/27/41/43/1070274143.db2.gz DCBGBQJGONPDGZ-ULQDDVLXSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H]1CCOC1 ZINC001303856019 1070274284 /nfs/dbraw/zinc/27/42/84/1070274284.db2.gz DCBGBQJGONPDGZ-YESZJQIVSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCC(=O)N1 ZINC001303857450 1070274782 /nfs/dbraw/zinc/27/47/82/1070274782.db2.gz IDYLODXIIQQBHU-BRWVUGGUSA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCC(=O)N1 ZINC001303857451 1070274948 /nfs/dbraw/zinc/27/49/48/1070274948.db2.gz IDYLODXIIQQBHU-GVDBMIGSSA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(O)CCOCC1 ZINC001303857908 1070275068 /nfs/dbraw/zinc/27/50/68/1070275068.db2.gz LQRIXFZPXDRFMT-MSOLQXFVSA-N 1 0 486.639 -0.022 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(O)CCOCC1 ZINC001303857909 1070274839 /nfs/dbraw/zinc/27/48/39/1070274839.db2.gz LQRIXFZPXDRFMT-ROUUACIJSA-N 1 0 486.639 -0.022 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(O)CCO[C@H]1C ZINC001303857924 1070275592 /nfs/dbraw/zinc/27/55/92/1070275592.db2.gz LVSVPBRKPUMODA-LXGFNABISA-N 1 0 486.639 -0.023 20 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465.646 -0.300 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC1CC1 ZINC001303858110 1070275789 /nfs/dbraw/zinc/27/57/89/1070275789.db2.gz PVAVSJWMUYDTSN-AEFFLSMTSA-N 1 0 483.639 -0.037 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC1CC1 ZINC001303858111 1070275500 /nfs/dbraw/zinc/27/55/00/1070275500.db2.gz PVAVSJWMUYDTSN-WMZOPIPTSA-N 1 0 483.639 -0.037 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303858460 1070277012 /nfs/dbraw/zinc/27/70/12/1070277012.db2.gz SIDTUGNHSGMLRR-HTAPYJJXSA-N 1 0 491.618 -0.083 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303858461 1070277172 /nfs/dbraw/zinc/27/71/72/1070277172.db2.gz SIDTUGNHSGMLRR-JTSKRJEESA-N 1 0 491.618 -0.083 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303858462 1070277262 /nfs/dbraw/zinc/27/72/62/1070277262.db2.gz SIDTUGNHSGMLRR-VGOFRKELSA-N 1 0 491.618 -0.083 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303858463 1070277125 /nfs/dbraw/zinc/27/71/25/1070277125.db2.gz SIDTUGNHSGMLRR-VGSWGCGISA-N 1 0 491.618 -0.083 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001303858464 1070277110 /nfs/dbraw/zinc/27/71/10/1070277110.db2.gz SIEQNGTZRPVNFE-HUUCEWRRSA-N 1 0 493.581 -0.182 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F ZINC001303858465 1070277390 /nfs/dbraw/zinc/27/73/90/1070277390.db2.gz SIEQNGTZRPVNFE-LSDHHAIUSA-N 1 0 493.581 -0.182 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC1(C)COC1 ZINC001303858526 1070277091 /nfs/dbraw/zinc/27/70/91/1070277091.db2.gz UNJJLQZOJCPSHE-CVEARBPZSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC1(C)COC1 ZINC001303858527 1070277357 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1070277934 /nfs/dbraw/zinc/27/79/34/1070277934.db2.gz YTHSWRZDNPDXBY-DLBZAZTESA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC1(O)CCC1 ZINC001303858959 1070277703 /nfs/dbraw/zinc/27/77/03/1070277703.db2.gz YTHSWRZDNPDXBY-IAGOWNOFSA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC1(O)CCC1 ZINC001303858960 1070277974 /nfs/dbraw/zinc/27/79/74/1070277974.db2.gz YTHSWRZDNPDXBY-IRXDYDNUSA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC1(O)CCC1 ZINC001303858961 1070277749 /nfs/dbraw/zinc/27/77/49/1070277749.db2.gz YTHSWRZDNPDXBY-SJORKVTESA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC1(O)CCC1 ZINC001303859270 1070278332 /nfs/dbraw/zinc/27/83/32/1070278332.db2.gz LIMKVQWGSHIGMR-KRWDZBQOSA-N 1 0 483.639 -0.062 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC1(O)CCC1 ZINC001303859271 1070278629 /nfs/dbraw/zinc/27/86/29/1070278629.db2.gz LIMKVQWGSHIGMR-QGZVFWFLSA-N 1 0 483.639 -0.062 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC1(C)COC1 ZINC001303859328 1070278490 /nfs/dbraw/zinc/27/84/90/1070278490.db2.gz MHVNERYINYFYSF-INIZCTEOSA-N 1 0 469.612 -0.331 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC1(C)COC1 ZINC001303859329 1070278700 /nfs/dbraw/zinc/27/87/00/1070278700.db2.gz MHVNERYINYFYSF-MRXNPFEDSA-N 1 0 469.612 -0.331 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCOC1 ZINC001303859412 1070278366 /nfs/dbraw/zinc/27/83/66/1070278366.db2.gz NYQQKKPNAWDBST-DLBZAZTESA-N 1 0 469.612 -0.331 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCOC1 ZINC001303859413 1070278599 /nfs/dbraw/zinc/27/85/99/1070278599.db2.gz NYQQKKPNAWDBST-IAGOWNOFSA-N 1 0 469.612 -0.331 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CCOC1 ZINC001303859414 1070278545 /nfs/dbraw/zinc/27/85/45/1070278545.db2.gz NYQQKKPNAWDBST-IRXDYDNUSA-N 1 0 469.612 -0.331 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CCOC1 ZINC001303859415 1070278412 /nfs/dbraw/zinc/27/84/12/1070278412.db2.gz NYQQKKPNAWDBST-SJORKVTESA-N 1 0 469.612 -0.331 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001303859798 1070279634 /nfs/dbraw/zinc/27/96/34/1070279634.db2.gz VEOXRHNRXKUQGY-ARFHVFGLSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001303859799 1070279804 /nfs/dbraw/zinc/27/98/04/1070279804.db2.gz VEOXRHNRXKUQGY-HRCADAONSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001303859800 1070279742 /nfs/dbraw/zinc/27/97/42/1070279742.db2.gz VEOXRHNRXKUQGY-JYJNAYRXSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001303859801 1070279863 /nfs/dbraw/zinc/27/98/63/1070279863.db2.gz VEOXRHNRXKUQGY-XHSDSOJGSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCC(=O)N1CCOCC1 ZINC001303861508 1070280310 /nfs/dbraw/zinc/28/03/10/1070280310.db2.gz FNYVHAUCLVZDCE-INIZCTEOSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCC(=O)N1CCOCC1 ZINC001303861509 1070280460 /nfs/dbraw/zinc/28/04/60/1070280460.db2.gz FNYVHAUCLVZDCE-MRXNPFEDSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[NH+]1CCCCC1 ZINC001303862145 1070281000 /nfs/dbraw/zinc/28/10/00/1070281000.db2.gz INQJYWUOKANLSS-INIZCTEOSA-N 1 0 479.611 -0.039 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[NH+]1CCCCC1 ZINC001303862146 1070280925 /nfs/dbraw/zinc/28/09/25/1070280925.db2.gz INQJYWUOKANLSS-MRXNPFEDSA-N 1 0 479.611 -0.039 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCCNS(C)(=O)=O ZINC001303862708 1070280957 /nfs/dbraw/zinc/28/09/57/1070280957.db2.gz KMNJXWZFHCOIBR-AWEZNQCLSA-N 1 0 463.630 -0.498 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCCNS(C)(=O)=O ZINC001303862709 1070280764 /nfs/dbraw/zinc/28/07/64/1070280764.db2.gz KMNJXWZFHCOIBR-CQSZACIVSA-N 1 0 463.630 -0.498 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001303863152 1070280972 /nfs/dbraw/zinc/28/09/72/1070280972.db2.gz MURLIWIJNBXCFQ-FOIQADDNSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001303863153 1070280805 /nfs/dbraw/zinc/28/08/05/1070280805.db2.gz MURLIWIJNBXCFQ-MGPUTAFESA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001303863154 1070280846 /nfs/dbraw/zinc/28/08/46/1070280846.db2.gz MURLIWIJNBXCFQ-QRWLVFNGSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001303863155 1070280907 /nfs/dbraw/zinc/28/09/07/1070280907.db2.gz MURLIWIJNBXCFQ-YWZLYKJASA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(=O)N1CCOCC1 ZINC001303863242 1070281378 /nfs/dbraw/zinc/28/13/78/1070281378.db2.gz OKVJMOZTSLWCNE-HNNXBMFYSA-N 1 0 455.585 -0.578 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(=O)N1CCOCC1 ZINC001303863243 1070281536 /nfs/dbraw/zinc/28/15/36/1070281536.db2.gz OKVJMOZTSLWCNE-OAHLLOKOSA-N 1 0 455.585 -0.578 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001303863654 1070281342 /nfs/dbraw/zinc/28/13/42/1070281342.db2.gz UIYZQVPRDRSDHW-INIZCTEOSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001303863657 1070281445 /nfs/dbraw/zinc/28/14/45/1070281445.db2.gz UIYZQVPRDRSDHW-MRXNPFEDSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001303863788 1070281427 /nfs/dbraw/zinc/28/14/27/1070281427.db2.gz VUEPFCNDYFESPV-CYBMUJFWSA-N 1 0 497.544 -0.132 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001303863790 1070281516 /nfs/dbraw/zinc/28/15/16/1070281516.db2.gz VUEPFCNDYFESPV-ZDUSSCGKSA-N 1 0 497.544 -0.132 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCCN1CCOCC1 ZINC001303864282 1070282124 /nfs/dbraw/zinc/28/21/24/1070282124.db2.gz BLUCCVWJJAIFPD-GOSISDBHSA-N 1 0 485.655 -0.088 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCCN1CCOCC1 ZINC001303864283 1070282270 /nfs/dbraw/zinc/28/22/70/1070282270.db2.gz BLUCCVWJJAIFPD-SFHVURJKSA-N 1 0 485.655 -0.088 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[NH+]1CCCCC1 ZINC001303864416 1070282910 /nfs/dbraw/zinc/28/29/10/1070282910.db2.gz CFFWFLZVPUVGAA-KRWDZBQOSA-N 1 0 482.655 -0.225 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[NH+]1CCCCC1 ZINC001303864417 1070282731 /nfs/dbraw/zinc/28/27/31/1070282731.db2.gz CFFWFLZVPUVGAA-QGZVFWFLSA-N 1 0 482.655 -0.225 20 0 JBADRO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+]1CCCC1 ZINC001303864484 1070282740 /nfs/dbraw/zinc/28/27/40/1070282740.db2.gz DAHXVGKJEPHHCA-BBWFWOEESA-N 1 0 496.638 -0.844 20 0 JBADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+]1CCCC1 ZINC001303864487 1070282821 /nfs/dbraw/zinc/28/28/21/1070282821.db2.gz DAHXVGKJEPHHCA-GVDBMIGSSA-N 1 0 496.638 -0.844 20 0 JBADRO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+]1CCCC1 ZINC001303864488 1070282902 /nfs/dbraw/zinc/28/29/02/1070282902.db2.gz DAHXVGKJEPHHCA-ULQDDVLXSA-N 1 0 496.638 -0.844 20 0 JBADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+]1CCCC1 ZINC001303864489 1070282772 /nfs/dbraw/zinc/28/27/72/1070282772.db2.gz DAHXVGKJEPHHCA-YESZJQIVSA-N 1 0 496.638 -0.844 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC[C@H]1COCCO1 ZINC001303864668 1070282872 /nfs/dbraw/zinc/28/28/72/1070282872.db2.gz FOJCUOQZHHAOFR-AEFFLSMTSA-N 1 0 472.612 -0.005 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC[C@@H]1COCCO1 ZINC001303864669 1070282751 /nfs/dbraw/zinc/28/27/51/1070282751.db2.gz FOJCUOQZHHAOFR-FUHWJXTLSA-N 1 0 472.612 -0.005 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC[C@@H]1COCCO1 ZINC001303864670 1070282791 /nfs/dbraw/zinc/28/27/91/1070282791.db2.gz FOJCUOQZHHAOFR-SJLPKXTDSA-N 1 0 472.612 -0.005 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC[C@H]1COCCO1 ZINC001303864671 1070282855 /nfs/dbraw/zinc/28/28/55/1070282855.db2.gz FOJCUOQZHHAOFR-WMZOPIPTSA-N 1 0 472.612 -0.005 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001303864720 1070283303 /nfs/dbraw/zinc/28/33/03/1070283303.db2.gz GJWGPTDUDNPCHG-CABCVRRESA-N 1 0 463.630 -0.546 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001303864721 1070283551 /nfs/dbraw/zinc/28/35/51/1070283551.db2.gz GJWGPTDUDNPCHG-GJZGRUSLSA-N 1 0 463.630 -0.546 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001303864722 1070283677 /nfs/dbraw/zinc/28/36/77/1070283677.db2.gz GJWGPTDUDNPCHG-HUUCEWRRSA-N 1 0 463.630 -0.546 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001303864723 1070283375 /nfs/dbraw/zinc/28/33/75/1070283375.db2.gz GJWGPTDUDNPCHG-LSDHHAIUSA-N 1 0 463.630 -0.546 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001303864820 1070283597 /nfs/dbraw/zinc/28/35/97/1070283597.db2.gz IGTYFQQFHKIJKH-IBGZPJMESA-N 1 0 494.666 -0.105 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001303864821 1070283455 /nfs/dbraw/zinc/28/34/55/1070283455.db2.gz IGTYFQQFHKIJKH-LJQANCHMSA-N 1 0 494.666 -0.105 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(=O)NCC(F)F ZINC001303865048 1070285069 /nfs/dbraw/zinc/28/50/69/1070285069.db2.gz LSBKOJGFDPPQSF-KBPBESRZSA-N 1 0 479.554 -0.572 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(=O)NCC(F)F ZINC001303865049 1070284811 /nfs/dbraw/zinc/28/48/11/1070284811.db2.gz LSBKOJGFDPPQSF-KGLIPLIRSA-N 1 0 479.554 -0.572 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(=O)NCC(F)F ZINC001303865050 1070284893 /nfs/dbraw/zinc/28/48/93/1070284893.db2.gz LSBKOJGFDPPQSF-UONOGXRCSA-N 1 0 479.554 -0.572 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(=O)NCC(F)F ZINC001303865051 1070284987 /nfs/dbraw/zinc/28/49/87/1070284987.db2.gz LSBKOJGFDPPQSF-ZIAGYGMSSA-N 1 0 479.554 -0.572 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCCC[NH+]1CCCC1 ZINC001303865068 1070284839 /nfs/dbraw/zinc/28/48/39/1070284839.db2.gz LWMPFGYCHLCSHP-DLBZAZTESA-N 1 0 496.638 -0.699 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCCC[NH+]1CCCC1 ZINC001303865069 1070284971 /nfs/dbraw/zinc/28/49/71/1070284971.db2.gz LWMPFGYCHLCSHP-IAGOWNOFSA-N 1 0 496.638 -0.699 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCCC[NH+]1CCCC1 ZINC001303865070 1070285053 /nfs/dbraw/zinc/28/50/53/1070285053.db2.gz LWMPFGYCHLCSHP-IRXDYDNUSA-N 1 0 496.638 -0.699 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCCC[NH+]1CCCC1 ZINC001303865071 1070284788 /nfs/dbraw/zinc/28/47/88/1070284788.db2.gz LWMPFGYCHLCSHP-SJORKVTESA-N 1 0 496.638 -0.699 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCC[NH+]1CCCC1 ZINC001303865221 1070285159 /nfs/dbraw/zinc/28/51/59/1070285159.db2.gz ORZIKYJUSGBYML-HNNXBMFYSA-N 1 0 463.630 -0.544 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCC[NH+]1CCCC1 ZINC001303865222 1070285022 /nfs/dbraw/zinc/28/50/22/1070285022.db2.gz ORZIKYJUSGBYML-OAHLLOKOSA-N 1 0 463.630 -0.544 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001303865265 1070284933 /nfs/dbraw/zinc/28/49/33/1070284933.db2.gz PSORRKGHGAPTRZ-BZUAXINKSA-N 1 0 469.612 -0.144 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001303865266 1070284844 /nfs/dbraw/zinc/28/48/44/1070284844.db2.gz PSORRKGHGAPTRZ-OWCLPIDISA-N 1 0 469.612 -0.144 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303865470 1070286429 /nfs/dbraw/zinc/28/64/29/1070286429.db2.gz ASNRQZLJFJIEJK-DEYYWGMASA-N 1 0 473.625 -0.034 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303865471 1070286307 /nfs/dbraw/zinc/28/63/07/1070286307.db2.gz ASNRQZLJFJIEJK-IYOUNJFTSA-N 1 0 473.625 -0.034 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303865472 1070286237 /nfs/dbraw/zinc/28/62/37/1070286237.db2.gz ASNRQZLJFJIEJK-PMUMKWKESA-N 1 0 473.625 -0.034 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303865473 1070286360 /nfs/dbraw/zinc/28/63/60/1070286360.db2.gz ASNRQZLJFJIEJK-SUNYJGFJSA-N 1 0 473.625 -0.034 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[NH+]1CCSCC1 ZINC001303865504 1070286403 /nfs/dbraw/zinc/28/64/03/1070286403.db2.gz BHVPRILFYPBRRN-KBPBESRZSA-N 1 0 458.614 -0.849 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[NH+]1CCSCC1 ZINC001303865505 1070286206 /nfs/dbraw/zinc/28/62/06/1070286206.db2.gz BHVPRILFYPBRRN-KGLIPLIRSA-N 1 0 458.614 -0.849 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001303865506 1070286283 /nfs/dbraw/zinc/28/62/83/1070286283.db2.gz BHVPRILFYPBRRN-UONOGXRCSA-N 1 0 458.614 -0.849 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001303865507 1070286474 /nfs/dbraw/zinc/28/64/74/1070286474.db2.gz BHVPRILFYPBRRN-ZIAGYGMSSA-N 1 0 458.614 -0.849 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001303865739 1070287487 /nfs/dbraw/zinc/28/74/87/1070287487.db2.gz UVIDVOKYOJUNGF-GOSISDBHSA-N 1 0 484.671 -0.026 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001303865740 1070287744 /nfs/dbraw/zinc/28/77/44/1070287744.db2.gz UVIDVOKYOJUNGF-SFHVURJKSA-N 1 0 484.671 -0.026 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303865785 1070287703 /nfs/dbraw/zinc/28/77/03/1070287703.db2.gz VKRPKDNDTNDXFW-HUUCEWRRSA-N 1 0 455.585 -0.532 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303865786 1070287551 /nfs/dbraw/zinc/28/75/51/1070287551.db2.gz VKRPKDNDTNDXFW-LSDHHAIUSA-N 1 0 455.585 -0.532 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303865969 1070287760 /nfs/dbraw/zinc/28/77/60/1070287760.db2.gz WZLZZPZRDIKRBW-AWEZNQCLSA-N 1 0 465.646 -0.442 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303865970 1070287733 /nfs/dbraw/zinc/28/77/33/1070287733.db2.gz WZLZZPZRDIKRBW-CQSZACIVSA-N 1 0 465.646 -0.442 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001303866084 1070288113 /nfs/dbraw/zinc/28/81/13/1070288113.db2.gz GEPSGNJMFNFSJG-BZSNNMDCSA-N 1 0 498.654 -0.319 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001303866085 1070288224 /nfs/dbraw/zinc/28/82/24/1070288224.db2.gz GEPSGNJMFNFSJG-KSZLIROESA-N 1 0 498.654 -0.319 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001303866086 1070288327 /nfs/dbraw/zinc/28/83/27/1070288327.db2.gz GEPSGNJMFNFSJG-OKZBNKHCSA-N 1 0 498.654 -0.319 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001303866087 1070288166 /nfs/dbraw/zinc/28/81/66/1070288166.db2.gz GEPSGNJMFNFSJG-RCCFBDPRSA-N 1 0 498.654 -0.319 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303866157 1070288356 /nfs/dbraw/zinc/28/83/56/1070288356.db2.gz GVHNZYSMUBKVSP-FOIQADDNSA-N 1 0 485.611 -0.234 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303866161 1070288280 /nfs/dbraw/zinc/28/82/80/1070288280.db2.gz GVHNZYSMUBKVSP-MGPUTAFESA-N 1 0 485.611 -0.234 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303866162 1070288424 /nfs/dbraw/zinc/28/84/24/1070288424.db2.gz GVHNZYSMUBKVSP-QRWLVFNGSA-N 1 0 485.611 -0.234 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303866163 1070288155 /nfs/dbraw/zinc/28/81/55/1070288155.db2.gz GVHNZYSMUBKVSP-YWZLYKJASA-N 1 0 485.611 -0.234 20 0 JBADRO 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JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303868128 1070291258 /nfs/dbraw/zinc/29/12/58/1070291258.db2.gz USUDJGDOSXYVNO-ZDUSSCGKSA-N 1 0 453.594 -0.056 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303869965 1070292837 /nfs/dbraw/zinc/29/28/37/1070292837.db2.gz CPNZRKOJXYONRY-CRAIPNDOSA-N 1 0 458.585 -0.659 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303869966 1070292705 /nfs/dbraw/zinc/29/27/05/1070292705.db2.gz CPNZRKOJXYONRY-MAUKXSAKSA-N 1 0 458.585 -0.659 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303869967 1070292937 /nfs/dbraw/zinc/29/29/37/1070292937.db2.gz CPNZRKOJXYONRY-QAPCUYQASA-N 1 0 458.585 -0.659 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303869968 1070292864 /nfs/dbraw/zinc/29/28/64/1070292864.db2.gz CPNZRKOJXYONRY-YJBOKZPZSA-N 1 0 458.585 -0.659 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCCC[NH+]1CCOCC1 ZINC001303871625 1070293697 /nfs/dbraw/zinc/29/36/97/1070293697.db2.gz KJWVUWKQDKUOGM-FXAWDEMLSA-N 1 0 472.612 -0.004 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCCC[NH+]1CCOCC1 ZINC001303871626 1070293576 /nfs/dbraw/zinc/29/35/76/1070293576.db2.gz KJWVUWKQDKUOGM-PXNSSMCTSA-N 1 0 472.612 -0.004 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCCC[NH+]1CCOCC1 ZINC001303871627 1070293321 /nfs/dbraw/zinc/29/33/21/1070293321.db2.gz KJWVUWKQDKUOGM-XLIONFOSSA-N 1 0 472.612 -0.004 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCCC[NH+]1CCOCC1 ZINC001303871628 1070293670 /nfs/dbraw/zinc/29/36/70/1070293670.db2.gz KJWVUWKQDKUOGM-YLJYHZDGSA-N 1 0 472.612 -0.004 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001303875998 1070294751 /nfs/dbraw/zinc/29/47/51/1070294751.db2.gz NNZKIKRFDXARKV-OAGGEKHMSA-N 1 0 485.611 -0.066 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001303875999 1070294596 /nfs/dbraw/zinc/29/45/96/1070294596.db2.gz NNZKIKRFDXARKV-XHSDSOJGSA-N 1 0 485.611 -0.066 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303876663 1070295686 /nfs/dbraw/zinc/29/56/86/1070295686.db2.gz PXWFBZQKBWORRF-GJRWTSMGSA-N 1 0 455.585 -0.988 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303876676 1070295468 /nfs/dbraw/zinc/29/54/68/1070295468.db2.gz PXWFBZQKBWORRF-NXEZDXNNSA-N 1 0 455.585 -0.988 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303876678 1070295311 /nfs/dbraw/zinc/29/53/11/1070295311.db2.gz PXWFBZQKBWORRF-XTDOFWJNSA-N 1 0 455.585 -0.988 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303876681 1070295369 /nfs/dbraw/zinc/29/53/69/1070295369.db2.gz PXWFBZQKBWORRF-ZTENYAIWSA-N 1 0 455.585 -0.988 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001303877643 1070295521 /nfs/dbraw/zinc/29/55/21/1070295521.db2.gz UPDLMJYVKGPSIW-VSZNYVQBSA-N 1 0 483.639 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001303877644 1070295432 /nfs/dbraw/zinc/29/54/32/1070295432.db2.gz UPDLMJYVKGPSIW-WNRNVDISSA-N 1 0 483.639 -0.208 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001303877645 1070295770 /nfs/dbraw/zinc/29/57/70/1070295770.db2.gz UPDLMJYVKGPSIW-XLAORIBOSA-N 1 0 483.639 -0.208 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001303877646 1070295577 /nfs/dbraw/zinc/29/55/77/1070295577.db2.gz UPDLMJYVKGPSIW-XMTFNYHQSA-N 1 0 483.639 -0.208 20 0 JBADRO COc1ccc(CC(=O)N2CCN(C)CC[N@H+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001304072032 1070299420 /nfs/dbraw/zinc/29/94/20/1070299420.db2.gz HMANLQSWHMUIJB-UHFFFAOYSA-N 1 0 454.593 -0.036 20 0 JBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)CC[N@@H+](C)CC3)cc2)CC1 ZINC001304072070 1070299542 /nfs/dbraw/zinc/29/95/42/1070299542.db2.gz HUSWODHUAFEZNA-UHFFFAOYSA-N 1 0 451.593 -0.141 20 0 JBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1OC ZINC001304078812 1070299359 /nfs/dbraw/zinc/29/93/59/1070299359.db2.gz JKSQWANPKRSLSN-AWEZNQCLSA-N 1 0 455.533 -0.072 20 0 JBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1OC ZINC001304078813 1070299630 /nfs/dbraw/zinc/29/96/30/1070299630.db2.gz JKSQWANPKRSLSN-CQSZACIVSA-N 1 0 455.533 -0.072 20 0 JBADRO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC([NH2+][C@H]4CCOC4)C3)ccc2F)CC1 ZINC001304084488 1070299517 /nfs/dbraw/zinc/29/95/17/1070299517.db2.gz NHJFXSBJQADDBO-INIZCTEOSA-N 1 0 454.524 -0.119 20 0 JBADRO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC([NH2+][C@@H]4CCOC4)C3)ccc2F)CC1 ZINC001304084490 1070299672 /nfs/dbraw/zinc/29/96/72/1070299672.db2.gz NHJFXSBJQADDBO-MRXNPFEDSA-N 1 0 454.524 -0.119 20 0 JBADRO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC001304214792 1070300073 /nfs/dbraw/zinc/30/00/73/1070300073.db2.gz FITVACGWHOIAGY-DOTOQJQBSA-N 1 0 480.595 -0.024 20 0 JBADRO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC001304214793 1070300425 /nfs/dbraw/zinc/30/04/25/1070300425.db2.gz FITVACGWHOIAGY-NVXWUHKLSA-N 1 0 480.595 -0.024 20 0 JBADRO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC001304214794 1070300351 /nfs/dbraw/zinc/30/03/51/1070300351.db2.gz FITVACGWHOIAGY-RDJZCZTQSA-N 1 0 480.595 -0.024 20 0 JBADRO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC001304214795 1070300171 /nfs/dbraw/zinc/30/01/71/1070300171.db2.gz FITVACGWHOIAGY-WBVHZDCISA-N 1 0 480.595 -0.024 20 0 JBADRO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCNS(C)(=O)=O)n1 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C[C@@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001305017684 1070311440 /nfs/dbraw/zinc/31/14/40/1070311440.db2.gz QREYELHUKJNNCY-SJORKVTESA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305043303 1070311575 /nfs/dbraw/zinc/31/15/75/1070311575.db2.gz PTHVJPWOARYRHU-MSOLQXFVSA-N 1 0 484.671 -0.170 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305043309 1070312487 /nfs/dbraw/zinc/31/24/87/1070312487.db2.gz PTHVJPWOARYRHU-QZTJIDSGSA-N 1 0 484.671 -0.170 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305043310 1070312529 /nfs/dbraw/zinc/31/25/29/1070312529.db2.gz PTHVJPWOARYRHU-ROUUACIJSA-N 1 0 484.671 -0.170 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305043311 1070311898 /nfs/dbraw/zinc/31/18/98/1070311898.db2.gz PTHVJPWOARYRHU-ZWKOTPCHSA-N 1 0 484.671 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CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2n[nH]c(C)n2)CC1 ZINC001313702216 1070379830 /nfs/dbraw/zinc/37/98/30/1070379830.db2.gz BVANABPPKKGQFV-QGZVFWFLSA-N 1 0 493.638 -0.160 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)CC1 ZINC001313702722 1070380053 /nfs/dbraw/zinc/38/00/53/1070380053.db2.gz GBKSISFORMOHFC-GOSISDBHSA-N 1 0 472.598 -0.019 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)CC1 ZINC001313702723 1070379706 /nfs/dbraw/zinc/37/97/06/1070379706.db2.gz GBKSISFORMOHFC-SFHVURJKSA-N 1 0 472.598 -0.019 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)CC1 ZINC001313703464 1070380091 /nfs/dbraw/zinc/38/00/91/1070380091.db2.gz IXNGXEPKPGBCHI-GOSISDBHSA-N 1 0 497.666 -0.057 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)CC1 ZINC001313703466 1070379495 /nfs/dbraw/zinc/37/94/95/1070379495.db2.gz IXNGXEPKPGBCHI-SFHVURJKSA-N 1 0 497.666 -0.057 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)NC)CC1 ZINC001313704023 1070379874 /nfs/dbraw/zinc/37/98/74/1070379874.db2.gz LFURNKUGJHYFQL-INIZCTEOSA-N 1 0 457.601 -0.678 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)NC)CC1 ZINC001313704024 1070379942 /nfs/dbraw/zinc/37/99/42/1070379942.db2.gz LFURNKUGJHYFQL-MRXNPFEDSA-N 1 0 457.601 -0.678 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NC)CC1 ZINC001313704260 1070379653 /nfs/dbraw/zinc/37/96/53/1070379653.db2.gz MCPZXSLMOJXGQZ-INIZCTEOSA-N 1 0 462.599 -0.008 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NC)CC1 ZINC001313704262 1070379747 /nfs/dbraw/zinc/37/97/47/1070379747.db2.gz MCPZXSLMOJXGQZ-MRXNPFEDSA-N 1 0 462.599 -0.008 20 0 JBADRO CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001313705249 1070379791 /nfs/dbraw/zinc/37/97/91/1070379791.db2.gz SXIXHGXXRRZICZ-KRWDZBQOSA-N 1 0 483.639 -0.351 20 0 JBADRO CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001313705251 1070379456 /nfs/dbraw/zinc/37/94/56/1070379456.db2.gz SXIXHGXXRRZICZ-QGZVFWFLSA-N 1 0 483.639 -0.351 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCNS(C)(=O)=O)CC1 ZINC001313705610 1070380492 /nfs/dbraw/zinc/38/04/92/1070380492.db2.gz VJCNSGCUNPTJNJ-UHFFFAOYSA-N 1 0 465.584 -0.725 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)CC1 ZINC001313705618 1070380549 /nfs/dbraw/zinc/38/05/49/1070380549.db2.gz VRIBVLQHBJQZPN-UHFFFAOYSA-N 1 0 467.600 -0.782 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001313705629 1070380721 /nfs/dbraw/zinc/38/07/21/1070380721.db2.gz VYPGKLJMEZDDSO-UHFFFAOYSA-N 1 0 498.636 -0.110 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCS2(=O)=O)CC1 ZINC001313705662 1070380585 /nfs/dbraw/zinc/38/05/85/1070380585.db2.gz WQDRYVBLPSHMTR-UHFFFAOYSA-N 1 0 493.638 -0.296 20 0 JBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001313712474 1070380280 /nfs/dbraw/zinc/38/02/80/1070380280.db2.gz PZDHNIDXRPTBKX-FTRWYGJKSA-N 1 0 454.597 -0.053 20 0 JBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001313712475 1070380623 /nfs/dbraw/zinc/38/06/23/1070380623.db2.gz PZDHNIDXRPTBKX-RZQQEMMASA-N 1 0 454.597 -0.053 20 0 JBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001313712476 1070380816 /nfs/dbraw/zinc/38/08/16/1070380816.db2.gz PZDHNIDXRPTBKX-TWOQFEAHSA-N 1 0 454.597 -0.053 20 0 JBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001313712477 1070380393 /nfs/dbraw/zinc/38/03/93/1070380393.db2.gz PZDHNIDXRPTBKX-YRNRMSPPSA-N 1 0 454.597 -0.053 20 0 JBADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001313715158 1070380638 /nfs/dbraw/zinc/38/06/38/1070380638.db2.gz FNRVBVINHGFIRS-UHFFFAOYSA-N 1 0 485.593 -0.026 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313716233 1070380307 /nfs/dbraw/zinc/38/03/07/1070380307.db2.gz HSEKKOBYCSOTAG-DLBZAZTESA-N 1 0 492.668 -0.034 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313716236 1070380655 /nfs/dbraw/zinc/38/06/55/1070380655.db2.gz HSEKKOBYCSOTAG-IAGOWNOFSA-N 1 0 492.668 -0.034 20 0 JBADRO CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313716239 1070380330 /nfs/dbraw/zinc/38/03/30/1070380330.db2.gz HSEKKOBYCSOTAG-IRXDYDNUSA-N 1 0 492.668 -0.034 20 0 JBADRO CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313716241 1070380668 /nfs/dbraw/zinc/38/06/68/1070380668.db2.gz HSEKKOBYCSOTAG-SJORKVTESA-N 1 0 492.668 -0.034 20 0 JBADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313720152 1070380351 /nfs/dbraw/zinc/38/03/51/1070380351.db2.gz UZTJHTHLVKABKP-KRWDZBQOSA-N 1 0 460.583 -0.112 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313720153 1070380534 /nfs/dbraw/zinc/38/05/34/1070380534.db2.gz UZTJHTHLVKABKP-QGZVFWFLSA-N 1 0 460.583 -0.112 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001313721193 1070380374 /nfs/dbraw/zinc/38/03/74/1070380374.db2.gz WZBCXUVFYNBMQB-BZSNNMDCSA-N 1 0 463.583 -0.119 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001313721194 1070381108 /nfs/dbraw/zinc/38/11/08/1070381108.db2.gz WZBCXUVFYNBMQB-KSZLIROESA-N 1 0 463.583 -0.119 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313724963 1070381148 /nfs/dbraw/zinc/38/11/48/1070381148.db2.gz CJJLGQZJUIGPDK-IAGOWNOFSA-N 1 0 495.650 -0.162 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313724964 1070381203 /nfs/dbraw/zinc/38/12/03/1070381203.db2.gz CJJLGQZJUIGPDK-SJORKVTESA-N 1 0 495.650 -0.162 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001313725472 1070381268 /nfs/dbraw/zinc/38/12/68/1070381268.db2.gz JYXPZQYOMIZNNP-BRWVUGGUSA-N 1 0 484.627 -0.445 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001313725473 1070381052 /nfs/dbraw/zinc/38/10/52/1070381052.db2.gz JYXPZQYOMIZNNP-IKGGRYGDSA-N 1 0 484.627 -0.445 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001313725474 1070380983 /nfs/dbraw/zinc/38/09/83/1070380983.db2.gz JYXPZQYOMIZNNP-IXDOHACOSA-N 1 0 484.627 -0.445 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001313725475 1070381339 /nfs/dbraw/zinc/38/13/39/1070381339.db2.gz JYXPZQYOMIZNNP-ZACQAIPSSA-N 1 0 484.627 -0.445 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001313726114 1070381286 /nfs/dbraw/zinc/38/12/86/1070381286.db2.gz ZCYFYMDRHFOPIM-CVEARBPZSA-N 1 0 457.601 -0.380 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001313726115 1070381026 /nfs/dbraw/zinc/38/10/26/1070381026.db2.gz ZCYFYMDRHFOPIM-HZPDHXFCSA-N 1 0 457.601 -0.380 20 0 JBADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001313803315 1070382609 /nfs/dbraw/zinc/38/26/09/1070382609.db2.gz WAZKDFRPNQCHSO-AWEZNQCLSA-N 1 0 463.630 -0.546 20 0 JBADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001313803322 1070382133 /nfs/dbraw/zinc/38/21/33/1070382133.db2.gz WAZKDFRPNQCHSO-CQSZACIVSA-N 1 0 463.630 -0.546 20 0 JBADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C1CC1 ZINC001313806573 1070382686 /nfs/dbraw/zinc/38/26/86/1070382686.db2.gz TVQGMCVNMQSHPF-UHFFFAOYSA-N 1 0 490.609 -0.592 20 0 JBADRO CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)CCC(F)(F)F ZINC001313815850 1070382516 /nfs/dbraw/zinc/38/25/16/1070382516.db2.gz SDFGJMZESWYFHC-KBPBESRZSA-N 1 0 486.499 -0.350 20 0 JBADRO CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)CCC(F)(F)F ZINC001313815851 1070382319 /nfs/dbraw/zinc/38/23/19/1070382319.db2.gz SDFGJMZESWYFHC-KGLIPLIRSA-N 1 0 486.499 -0.350 20 0 JBADRO CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)CCC(F)(F)F ZINC001313815852 1070382164 /nfs/dbraw/zinc/38/21/64/1070382164.db2.gz SDFGJMZESWYFHC-UONOGXRCSA-N 1 0 486.499 -0.350 20 0 JBADRO CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)CCC(F)(F)F ZINC001313815853 1070382389 /nfs/dbraw/zinc/38/23/89/1070382389.db2.gz SDFGJMZESWYFHC-ZIAGYGMSSA-N 1 0 486.499 -0.350 20 0 JBADRO CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001313817571 1070382230 /nfs/dbraw/zinc/38/22/30/1070382230.db2.gz JHZJXVBPAXWKTO-AWEZNQCLSA-N 1 0 497.544 -0.179 20 0 JBADRO CC[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001313817572 1070382081 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1070383322 /nfs/dbraw/zinc/38/33/22/1070383322.db2.gz MQVXUQRPLCAGDE-RBUKOAKNSA-N 1 0 499.638 -0.563 20 0 JBADRO CC[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CNC(C)=O)C1)C1CC1 ZINC001313817768 1070383142 /nfs/dbraw/zinc/38/31/42/1070383142.db2.gz MQVXUQRPLCAGDE-RTBURBONSA-N 1 0 499.638 -0.563 20 0 JBADRO CC[N@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001313823658 1070382949 /nfs/dbraw/zinc/38/29/49/1070382949.db2.gz KFDGUGJSBSYNTM-BZSNNMDCSA-N 1 0 463.583 -0.121 20 0 JBADRO CC[N@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001313823660 1070382984 /nfs/dbraw/zinc/38/29/84/1070382984.db2.gz KFDGUGJSBSYNTM-KSZLIROESA-N 1 0 463.583 -0.121 20 0 JBADRO CCN1C(=O)[C@@H]2CN(c3nnc(CN4CCCC4=O)n3CC[N@H+](C)CCOC)CCN2C1=O ZINC001313829350 1070384048 /nfs/dbraw/zinc/38/40/48/1070384048.db2.gz BNVAIAAVMSQCIH-INIZCTEOSA-N 1 0 462.555 -0.549 20 0 JBADRO CCN1C(=O)[C@H]2CN(c3nnc(CN4CCCC4=O)n3CC[N@H+](C)CCOC)CCN2C1=O ZINC001313829351 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JBADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001313883431 1070387612 /nfs/dbraw/zinc/38/76/12/1070387612.db2.gz HFEZYVIQOOSPSA-HOTGVXAUSA-N 1 0 457.601 -0.475 20 0 JBADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001313883432 1070387793 /nfs/dbraw/zinc/38/77/93/1070387793.db2.gz HFEZYVIQOOSPSA-HZPDHXFCSA-N 1 0 457.601 -0.475 20 0 JBADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001313883433 1070387577 /nfs/dbraw/zinc/38/75/77/1070387577.db2.gz HFEZYVIQOOSPSA-JKSUJKDBSA-N 1 0 457.601 -0.475 20 0 JBADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC001313884039 1070387862 /nfs/dbraw/zinc/38/78/62/1070387862.db2.gz MFVKCPSHMQBFSL-CVEARBPZSA-N 1 0 479.611 -0.183 20 0 JBADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC001313884042 1070387388 /nfs/dbraw/zinc/38/73/88/1070387388.db2.gz MFVKCPSHMQBFSL-HOTGVXAUSA-N 1 0 479.611 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ZINC001313889161 1070388676 /nfs/dbraw/zinc/38/86/76/1070388676.db2.gz SIMUFXUWHANCLQ-ARFHVFGLSA-N 1 0 455.585 -0.736 20 0 JBADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001313889170 1070388265 /nfs/dbraw/zinc/38/82/65/1070388265.db2.gz SIMUFXUWHANCLQ-HRCADAONSA-N 1 0 455.585 -0.736 20 0 JBADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001313889172 1070388617 /nfs/dbraw/zinc/38/86/17/1070388617.db2.gz SIMUFXUWHANCLQ-JYJNAYRXSA-N 1 0 455.585 -0.736 20 0 JBADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001313889173 1070388416 /nfs/dbraw/zinc/38/84/16/1070388416.db2.gz SIMUFXUWHANCLQ-XHSDSOJGSA-N 1 0 455.585 -0.736 20 0 JBADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)CC2)C1 ZINC001313890033 1070388230 /nfs/dbraw/zinc/38/82/30/1070388230.db2.gz XIOBQVRUYAYCAW-CVEARBPZSA-N 1 0 455.585 -0.721 20 0 JBADRO 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CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001313894748 1070388338 /nfs/dbraw/zinc/38/83/38/1070388338.db2.gz XFMORIHJUSNGRK-ZBFHGGJFSA-N 1 0 477.657 -0.109 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313894986 1070388201 /nfs/dbraw/zinc/38/82/01/1070388201.db2.gz YDOUOCKNYYBPDN-DOTOQJQBSA-N 1 0 496.638 -0.700 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313895009 1070388547 /nfs/dbraw/zinc/38/85/47/1070388547.db2.gz YDOUOCKNYYBPDN-NVXWUHKLSA-N 1 0 496.638 -0.700 20 0 JBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313895013 1070388768 /nfs/dbraw/zinc/38/87/68/1070388768.db2.gz YDOUOCKNYYBPDN-RDJZCZTQSA-N 1 0 496.638 -0.700 20 0 JBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001313895016 1070388169 /nfs/dbraw/zinc/38/81/69/1070388169.db2.gz YDOUOCKNYYBPDN-WBVHZDCISA-N 1 0 496.638 -0.700 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001313899070 1070389515 /nfs/dbraw/zinc/38/95/15/1070389515.db2.gz GCVXTVLZSDWHAI-CEXWTWQISA-N 1 0 499.638 -0.563 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001313899071 1070388898 /nfs/dbraw/zinc/38/88/98/1070388898.db2.gz GCVXTVLZSDWHAI-GUDVDZBRSA-N 1 0 499.638 -0.563 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001313899072 1070389071 /nfs/dbraw/zinc/38/90/71/1070389071.db2.gz GCVXTVLZSDWHAI-QRVBRYPASA-N 1 0 499.638 -0.563 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001313899073 1070389701 /nfs/dbraw/zinc/38/97/01/1070389701.db2.gz GCVXTVLZSDWHAI-QYZOEREBSA-N 1 0 499.638 -0.563 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001313899709 1070389258 /nfs/dbraw/zinc/38/92/58/1070389258.db2.gz KABMFGOUAJGUFP-DLBZAZTESA-N 1 0 454.597 -0.041 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001313899710 1070389101 /nfs/dbraw/zinc/38/91/01/1070389101.db2.gz KABMFGOUAJGUFP-IAGOWNOFSA-N 1 0 454.597 -0.041 20 0 JBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001313899711 1070389550 /nfs/dbraw/zinc/38/95/50/1070389550.db2.gz KABMFGOUAJGUFP-IRXDYDNUSA-N 1 0 454.597 -0.041 20 0 JBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001313899712 1070389321 /nfs/dbraw/zinc/38/93/21/1070389321.db2.gz KABMFGOUAJGUFP-SJORKVTESA-N 1 0 454.597 -0.041 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 ZINC001313900539 1070389158 /nfs/dbraw/zinc/38/91/58/1070389158.db2.gz PKOQRUBCMLIGQC-MOPGFXCFSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 ZINC001313900540 1070388945 /nfs/dbraw/zinc/38/89/45/1070388945.db2.gz PKOQRUBCMLIGQC-OALUTQOASA-N 1 0 485.655 -0.136 20 0 JBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 ZINC001313900541 1070389403 /nfs/dbraw/zinc/38/94/03/1070389403.db2.gz PKOQRUBCMLIGQC-RBUKOAKNSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 ZINC001313900542 1070389639 /nfs/dbraw/zinc/38/96/39/1070389639.db2.gz PKOQRUBCMLIGQC-RTBURBONSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313909197 1070389478 /nfs/dbraw/zinc/38/94/78/1070389478.db2.gz CEKHMGHKYXKGHI-MSOLQXFVSA-N 1 0 498.654 -0.053 20 0 JBADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313909198 1070389223 /nfs/dbraw/zinc/38/92/23/1070389223.db2.gz CEKHMGHKYXKGHI-QZTJIDSGSA-N 1 0 498.654 -0.053 20 0 JBADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313909199 1070389607 /nfs/dbraw/zinc/38/96/07/1070389607.db2.gz CEKHMGHKYXKGHI-ROUUACIJSA-N 1 0 498.654 -0.053 20 0 JBADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001313909200 1070389371 /nfs/dbraw/zinc/38/93/71/1070389371.db2.gz CEKHMGHKYXKGHI-ZWKOTPCHSA-N 1 0 498.654 -0.053 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC001313919997 1070390476 /nfs/dbraw/zinc/39/04/76/1070390476.db2.gz HEKWKJPJPUEIAS-OWSLCNJRSA-N 1 0 482.655 -0.371 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001313919998 1070390263 /nfs/dbraw/zinc/39/02/63/1070390263.db2.gz HEKWKJPJPUEIAS-VSZNYVQBSA-N 1 0 482.655 -0.371 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@H]3C2)CC1 ZINC001313919999 1070390554 /nfs/dbraw/zinc/39/05/54/1070390554.db2.gz HEKWKJPJPUEIAS-XDNAFOTISA-N 1 0 482.655 -0.371 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC(=O)N[C@@H]3C2)CC1 ZINC001313920000 1070390308 /nfs/dbraw/zinc/39/03/08/1070390308.db2.gz HEKWKJPJPUEIAS-XMTFNYHQSA-N 1 0 482.655 -0.371 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)CC1 ZINC001313920065 1070389967 /nfs/dbraw/zinc/38/99/67/1070389967.db2.gz IARWSHMIGUIHBA-CEXWTWQISA-N 1 0 484.671 -0.565 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)CC1 ZINC001313920066 1070390162 /nfs/dbraw/zinc/39/01/62/1070390162.db2.gz IARWSHMIGUIHBA-GUDVDZBRSA-N 1 0 484.671 -0.565 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)CC1 ZINC001313920118 1070389861 /nfs/dbraw/zinc/38/98/61/1070389861.db2.gz IARWSHMIGUIHBA-QRVBRYPASA-N 1 0 484.671 -0.565 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)CC1 ZINC001313920119 1070390359 /nfs/dbraw/zinc/39/03/59/1070390359.db2.gz IARWSHMIGUIHBA-QYZOEREBSA-N 1 0 484.671 -0.565 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921314 1070390978 /nfs/dbraw/zinc/39/09/78/1070390978.db2.gz PQFKEZPHNHTNNB-DLBZAZTESA-N 1 0 484.671 -0.123 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921315 1070391269 /nfs/dbraw/zinc/39/12/69/1070391269.db2.gz PQFKEZPHNHTNNB-IAGOWNOFSA-N 1 0 484.671 -0.123 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921316 1070391181 /nfs/dbraw/zinc/39/11/81/1070391181.db2.gz PQFKEZPHNHTNNB-IRXDYDNUSA-N 1 0 484.671 -0.123 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001313921317 1070390771 /nfs/dbraw/zinc/39/07/71/1070390771.db2.gz PQFKEZPHNHTNNB-SJORKVTESA-N 1 0 484.671 -0.123 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922289 1070390876 /nfs/dbraw/zinc/39/08/76/1070390876.db2.gz VAANYCDAIWPFHP-TVFCKZIOSA-N 1 0 473.644 -0.236 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922290 1070390927 /nfs/dbraw/zinc/39/09/27/1070390927.db2.gz VAANYCDAIWPFHP-XDNAFOTISA-N 1 0 473.644 -0.236 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922291 1070391085 /nfs/dbraw/zinc/39/10/85/1070391085.db2.gz VAANYCDAIWPFHP-XLAORIBOSA-N 1 0 473.644 -0.236 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001313922292 1070391465 /nfs/dbraw/zinc/39/14/65/1070391465.db2.gz VAANYCDAIWPFHP-XWTMOSNGSA-N 1 0 473.644 -0.236 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001313923439 1070391748 /nfs/dbraw/zinc/39/17/48/1070391748.db2.gz LTBUXUHAWJJHPF-MSOLQXFVSA-N 1 0 462.599 -0.509 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001313923440 1070391899 /nfs/dbraw/zinc/39/18/99/1070391899.db2.gz LTBUXUHAWJJHPF-QZTJIDSGSA-N 1 0 462.599 -0.509 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001313923441 1070391601 /nfs/dbraw/zinc/39/16/01/1070391601.db2.gz LTBUXUHAWJJHPF-ROUUACIJSA-N 1 0 462.599 -0.509 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001313923442 1070391519 /nfs/dbraw/zinc/39/15/19/1070391519.db2.gz LTBUXUHAWJJHPF-ZWKOTPCHSA-N 1 0 462.599 -0.509 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001313924022 1070391861 /nfs/dbraw/zinc/39/18/61/1070391861.db2.gz WSNLCROIWGBLJM-DLBZAZTESA-N 1 0 450.588 -0.607 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001313924023 1070391703 /nfs/dbraw/zinc/39/17/03/1070391703.db2.gz WSNLCROIWGBLJM-IAGOWNOFSA-N 1 0 450.588 -0.607 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001313924024 1070391636 /nfs/dbraw/zinc/39/16/36/1070391636.db2.gz WSNLCROIWGBLJM-IRXDYDNUSA-N 1 0 450.588 -0.607 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001313924025 1070391977 /nfs/dbraw/zinc/39/19/77/1070391977.db2.gz WSNLCROIWGBLJM-SJORKVTESA-N 1 0 450.588 -0.607 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001313924174 1070392026 /nfs/dbraw/zinc/39/20/26/1070392026.db2.gz ZVGLVZCYFJUKFI-MSOLQXFVSA-N 1 0 461.615 -0.002 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001313924177 1070391808 /nfs/dbraw/zinc/39/18/08/1070391808.db2.gz ZVGLVZCYFJUKFI-QZTJIDSGSA-N 1 0 461.615 -0.002 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001313924179 1070392306 /nfs/dbraw/zinc/39/23/06/1070392306.db2.gz ZVGLVZCYFJUKFI-ROUUACIJSA-N 1 0 461.615 -0.002 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001313924180 1070392428 /nfs/dbraw/zinc/39/24/28/1070392428.db2.gz ZVGLVZCYFJUKFI-ZWKOTPCHSA-N 1 0 461.615 -0.002 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001313926573 1070392919 /nfs/dbraw/zinc/39/29/19/1070392919.db2.gz DRBGMXWJYNKMSJ-IBGZPJMESA-N 1 0 498.636 -0.066 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001313926574 1070392716 /nfs/dbraw/zinc/39/27/16/1070392716.db2.gz DRBGMXWJYNKMSJ-LJQANCHMSA-N 1 0 498.636 -0.066 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927613 1070392765 /nfs/dbraw/zinc/39/27/65/1070392765.db2.gz JJTVKNNDHCATQY-MSOLQXFVSA-N 1 0 462.599 -0.450 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927629 1070392267 /nfs/dbraw/zinc/39/22/67/1070392267.db2.gz JJTVKNNDHCATQY-QZTJIDSGSA-N 1 0 462.599 -0.450 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927633 1070392505 /nfs/dbraw/zinc/39/25/05/1070392505.db2.gz JJTVKNNDHCATQY-ROUUACIJSA-N 1 0 462.599 -0.450 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001313927635 1070392810 /nfs/dbraw/zinc/39/28/10/1070392810.db2.gz JJTVKNNDHCATQY-ZWKOTPCHSA-N 1 0 462.599 -0.450 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313927665 1070392564 /nfs/dbraw/zinc/39/25/64/1070392564.db2.gz JOBBPURKCZTHOF-AEFFLSMTSA-N 1 0 467.640 -0.092 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313927667 1070392632 /nfs/dbraw/zinc/39/26/32/1070392632.db2.gz JOBBPURKCZTHOF-FUHWJXTLSA-N 1 0 467.640 -0.092 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313927669 1070392889 /nfs/dbraw/zinc/39/28/89/1070392889.db2.gz JOBBPURKCZTHOF-SJLPKXTDSA-N 1 0 467.640 -0.092 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313927671 1070392391 /nfs/dbraw/zinc/39/23/91/1070392391.db2.gz JOBBPURKCZTHOF-WMZOPIPTSA-N 1 0 467.640 -0.092 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313928487 1070392222 /nfs/dbraw/zinc/39/22/22/1070392222.db2.gz PMKORDNYGXPRPD-GOSISDBHSA-N 1 0 461.615 -0.112 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001313928488 1070392972 /nfs/dbraw/zinc/39/29/72/1070392972.db2.gz PMKORDNYGXPRPD-SFHVURJKSA-N 1 0 461.615 -0.112 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)CC2)CC1 ZINC001313929974 1070392859 /nfs/dbraw/zinc/39/28/59/1070392859.db2.gz PTRLMNKHJNFZDK-PMACEKPBSA-N 1 0 483.683 -0.025 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)CC2)CC1 ZINC001313929987 1070392599 /nfs/dbraw/zinc/39/25/99/1070392599.db2.gz PTRLMNKHJNFZDK-UXHICEINSA-N 1 0 483.683 -0.025 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)CC2)CC1 ZINC001313929992 1070392186 /nfs/dbraw/zinc/39/21/86/1070392186.db2.gz PTRLMNKHJNFZDK-VQTJNVASSA-N 1 0 483.683 -0.025 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CCOC)CC2)CC1 ZINC001313929996 1070392467 /nfs/dbraw/zinc/39/24/67/1070392467.db2.gz PTRLMNKHJNFZDK-WOJBJXKFSA-N 1 0 483.683 -0.025 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001313931194 1070392336 /nfs/dbraw/zinc/39/23/36/1070392336.db2.gz PRWFFHPVWCBBJZ-KBPBESRZSA-N 1 0 451.619 -0.642 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001313931198 1070392664 /nfs/dbraw/zinc/39/26/64/1070392664.db2.gz PRWFFHPVWCBBJZ-KGLIPLIRSA-N 1 0 451.619 -0.642 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001313931200 1070393712 /nfs/dbraw/zinc/39/37/12/1070393712.db2.gz PRWFFHPVWCBBJZ-UONOGXRCSA-N 1 0 451.619 -0.642 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001313931202 1070393549 /nfs/dbraw/zinc/39/35/49/1070393549.db2.gz PRWFFHPVWCBBJZ-ZIAGYGMSSA-N 1 0 451.619 -0.642 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001313931418 1070393981 /nfs/dbraw/zinc/39/39/81/1070393981.db2.gz TZNHTQHWIZUZQN-FGTMMUONSA-N 1 0 467.640 -0.092 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001313931419 1070393246 /nfs/dbraw/zinc/39/32/46/1070393246.db2.gz TZNHTQHWIZUZQN-KURKYZTESA-N 1 0 467.640 -0.092 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001313931420 1070393901 /nfs/dbraw/zinc/39/39/01/1070393901.db2.gz TZNHTQHWIZUZQN-KZNAEPCWSA-N 1 0 467.640 -0.092 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001313931421 1070393141 /nfs/dbraw/zinc/39/31/41/1070393141.db2.gz TZNHTQHWIZUZQN-SQNIBIBYSA-N 1 0 467.640 -0.092 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001313941819 1070393765 /nfs/dbraw/zinc/39/37/65/1070393765.db2.gz AKXAGZJFTAQKDZ-CVEARBPZSA-N 1 0 456.617 -0.807 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001313941826 1070393814 /nfs/dbraw/zinc/39/38/14/1070393814.db2.gz AKXAGZJFTAQKDZ-HOTGVXAUSA-N 1 0 456.617 -0.807 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001313941828 1070394231 /nfs/dbraw/zinc/39/42/31/1070394231.db2.gz AKXAGZJFTAQKDZ-HZPDHXFCSA-N 1 0 456.617 -0.807 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001313941830 1070394827 /nfs/dbraw/zinc/39/48/27/1070394827.db2.gz AKXAGZJFTAQKDZ-JKSUJKDBSA-N 1 0 456.617 -0.807 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C2)CC1 ZINC001313942638 1070394740 /nfs/dbraw/zinc/39/47/40/1070394740.db2.gz JMHJZHXMQZPIML-KRWDZBQOSA-N 1 0 453.613 -0.225 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C2)CC1 ZINC001313942639 1070394402 /nfs/dbraw/zinc/39/44/02/1070394402.db2.gz JMHJZHXMQZPIML-QGZVFWFLSA-N 1 0 453.613 -0.225 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CCS(=O)(=O)C3)C2)CC1 ZINC001313943355 1070394338 /nfs/dbraw/zinc/39/43/38/1070394338.db2.gz RHWRNBJQYDECAP-DYESRHJHSA-N 1 0 483.639 -0.818 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3(O)CCS(=O)(=O)C3)C2)CC1 ZINC001313943356 1070394532 /nfs/dbraw/zinc/39/45/32/1070394532.db2.gz RHWRNBJQYDECAP-LAUBAEHRSA-N 1 0 483.639 -0.818 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CCS(=O)(=O)C3)C2)CC1 ZINC001313943357 1070395021 /nfs/dbraw/zinc/39/50/21/1070395021.db2.gz RHWRNBJQYDECAP-UTKZUKDTSA-N 1 0 483.639 -0.818 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3(O)CCS(=O)(=O)C3)C2)CC1 ZINC001313943358 1070394370 /nfs/dbraw/zinc/39/43/70/1070394370.db2.gz RHWRNBJQYDECAP-UWJYYQICSA-N 1 0 483.639 -0.818 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCS3(=O)=O)C2)CC1 ZINC001313943838 1070394573 /nfs/dbraw/zinc/39/45/73/1070394573.db2.gz WICQBKIRXOUOSE-GOSISDBHSA-N 1 0 482.655 -0.332 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCS3(=O)=O)C2)CC1 ZINC001313943839 1070394924 /nfs/dbraw/zinc/39/49/24/1070394924.db2.gz WICQBKIRXOUOSE-SFHVURJKSA-N 1 0 482.655 -0.332 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001313944280 1070394438 /nfs/dbraw/zinc/39/44/38/1070394438.db2.gz ZIMVOPVEPKXEGS-MOPGFXCFSA-N 1 0 496.682 -0.086 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001313944283 1070394681 /nfs/dbraw/zinc/39/46/81/1070394681.db2.gz ZIMVOPVEPKXEGS-OALUTQOASA-N 1 0 496.682 -0.086 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001313944284 1070394478 /nfs/dbraw/zinc/39/44/78/1070394478.db2.gz ZIMVOPVEPKXEGS-RBUKOAKNSA-N 1 0 496.682 -0.086 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001313944285 1070395100 /nfs/dbraw/zinc/39/51/00/1070395100.db2.gz ZIMVOPVEPKXEGS-RTBURBONSA-N 1 0 496.682 -0.086 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(C)COCCO3)C2)CC1 ZINC001313945266 1070394973 /nfs/dbraw/zinc/39/49/73/1070394973.db2.gz MUOTXVQBYOBJDY-DBXWQHBBSA-N 1 0 485.655 -0.090 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(C)COCCO3)C2)CC1 ZINC001313945267 1070394629 /nfs/dbraw/zinc/39/46/29/1070394629.db2.gz MUOTXVQBYOBJDY-OPYAIIAOSA-N 1 0 485.655 -0.090 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(C)COCCO3)C2)CC1 ZINC001313945268 1070394775 /nfs/dbraw/zinc/39/47/75/1070394775.db2.gz MUOTXVQBYOBJDY-UEXGIBASSA-N 1 0 485.655 -0.090 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(C)COCCO3)C2)CC1 ZINC001313945269 1070394289 /nfs/dbraw/zinc/39/42/89/1070394289.db2.gz MUOTXVQBYOBJDY-WAOWUJCRSA-N 1 0 485.655 -0.090 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(O)CCSC3)C2)CC1 ZINC001313945663 1070395051 /nfs/dbraw/zinc/39/50/51/1070395051.db2.gz SKAYJQWAYONQLA-HLIPFELVSA-N 1 0 487.696 -0.028 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(O)CCSC3)C2)CC1 ZINC001313945664 1070394874 /nfs/dbraw/zinc/39/48/74/1070394874.db2.gz SKAYJQWAYONQLA-MBOZVWFJSA-N 1 0 487.696 -0.028 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(O)CCSC3)C2)CC1 ZINC001313945665 1070396011 /nfs/dbraw/zinc/39/60/11/1070396011.db2.gz SKAYJQWAYONQLA-QKLQHJQFSA-N 1 0 487.696 -0.028 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(O)CCSC3)C2)CC1 ZINC001313945666 1070395625 /nfs/dbraw/zinc/39/56/25/1070395625.db2.gz SKAYJQWAYONQLA-SQGPQFPESA-N 1 0 487.696 -0.028 20 0 JBADRO CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001313946737 1070395909 /nfs/dbraw/zinc/39/59/09/1070395909.db2.gz FLQAPAMXBWZGKF-MSOLQXFVSA-N 1 0 467.640 -0.125 20 0 JBADRO CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001313946738 1070395547 /nfs/dbraw/zinc/39/55/47/1070395547.db2.gz FLQAPAMXBWZGKF-QZTJIDSGSA-N 1 0 467.640 -0.125 20 0 JBADRO CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001313946739 1070395976 /nfs/dbraw/zinc/39/59/76/1070395976.db2.gz FLQAPAMXBWZGKF-ROUUACIJSA-N 1 0 467.640 -0.125 20 0 JBADRO CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001313946740 1070395945 /nfs/dbraw/zinc/39/59/45/1070395945.db2.gz FLQAPAMXBWZGKF-ZWKOTPCHSA-N 1 0 467.640 -0.125 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001313947474 1070395411 /nfs/dbraw/zinc/39/54/11/1070395411.db2.gz ALMUFEUTPRPQKN-IBGZPJMESA-N 1 0 496.682 -0.056 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001313947480 1070395340 /nfs/dbraw/zinc/39/53/40/1070395340.db2.gz ALMUFEUTPRPQKN-LJQANCHMSA-N 1 0 496.682 -0.056 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313947960 1070396063 /nfs/dbraw/zinc/39/60/63/1070396063.db2.gz OCPKEPHLKKAMFT-GOSISDBHSA-N 1 0 465.628 -0.166 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313947962 1070395285 /nfs/dbraw/zinc/39/52/85/1070395285.db2.gz OCPKEPHLKKAMFT-SFHVURJKSA-N 1 0 465.628 -0.166 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001313948062 1070396116 /nfs/dbraw/zinc/39/61/16/1070396116.db2.gz FCGBPKOKLNKNPY-IBGZPJMESA-N 1 0 496.682 -0.131 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948066 1070395574 /nfs/dbraw/zinc/39/55/74/1070395574.db2.gz OUZHCORFKNYDTO-MSOLQXFVSA-N 1 0 455.629 -0.063 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001313948072 1070395796 /nfs/dbraw/zinc/39/57/96/1070395796.db2.gz FCGBPKOKLNKNPY-LJQANCHMSA-N 1 0 496.682 -0.131 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948093 1070395509 /nfs/dbraw/zinc/39/55/09/1070395509.db2.gz OUZHCORFKNYDTO-QZTJIDSGSA-N 1 0 455.629 -0.063 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948096 1070395855 /nfs/dbraw/zinc/39/58/55/1070395855.db2.gz OUZHCORFKNYDTO-ROUUACIJSA-N 1 0 455.629 -0.063 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001313948099 1070395467 /nfs/dbraw/zinc/39/54/67/1070395467.db2.gz OUZHCORFKNYDTO-ZWKOTPCHSA-N 1 0 455.629 -0.063 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001313949569 1070395744 /nfs/dbraw/zinc/39/57/44/1070395744.db2.gz JXNNWPBFUDJVEJ-BZSNNMDCSA-N 1 0 498.654 -0.197 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001313949570 1070395689 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ZINC001314641769 1070451650 /nfs/dbraw/zinc/45/16/50/1070451650.db2.gz BMBDRKWQHFRUGS-ROUUACIJSA-N 1 0 499.638 -0.752 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001314641770 1070451638 /nfs/dbraw/zinc/45/16/38/1070451638.db2.gz BMBDRKWQHFRUGS-ZWKOTPCHSA-N 1 0 499.638 -0.752 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001314641940 1070451663 /nfs/dbraw/zinc/45/16/63/1070451663.db2.gz CCGRHOUCQDDNIQ-UHFFFAOYSA-N 1 0 499.620 -0.018 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001314642181 1070451627 /nfs/dbraw/zinc/45/16/27/1070451627.db2.gz FFLCZRRBJIQIFA-INIZCTEOSA-N 1 0 455.585 -0.626 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001314642182 1070451560 /nfs/dbraw/zinc/45/15/60/1070451560.db2.gz FFLCZRRBJIQIFA-MRXNPFEDSA-N 1 0 455.585 -0.626 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001314642868 1070452172 /nfs/dbraw/zinc/45/21/72/1070452172.db2.gz KUESSWIGXZBDLZ-UHFFFAOYSA-N 1 0 476.626 -0.429 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccccc1 ZINC001314650624 1070455478 /nfs/dbraw/zinc/45/54/78/1070455478.db2.gz KINCSQJKNMFLQG-MSOLQXFVSA-N 1 0 477.591 -0.150 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccccc1 ZINC001314650625 1070455392 /nfs/dbraw/zinc/45/53/92/1070455392.db2.gz KINCSQJKNMFLQG-QZTJIDSGSA-N 1 0 477.591 -0.150 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccccc1 ZINC001314650626 1070455423 /nfs/dbraw/zinc/45/54/23/1070455423.db2.gz KINCSQJKNMFLQG-ROUUACIJSA-N 1 0 477.591 -0.150 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccccc1 ZINC001314650627 1070455517 /nfs/dbraw/zinc/45/55/17/1070455517.db2.gz KINCSQJKNMFLQG-ZWKOTPCHSA-N 1 0 477.591 -0.150 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)C1CC1 ZINC001314651372 1070455445 /nfs/dbraw/zinc/45/54/45/1070455445.db2.gz QGFMOYCOJQFLBA-CVEARBPZSA-N 1 0 460.626 -0.480 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)C1CC1 ZINC001314651380 1070456294 /nfs/dbraw/zinc/45/62/94/1070456294.db2.gz QGFMOYCOJQFLBA-HOTGVXAUSA-N 1 0 460.626 -0.480 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)C1CC1 ZINC001314651442 1070456232 /nfs/dbraw/zinc/45/62/32/1070456232.db2.gz QGFMOYCOJQFLBA-HZPDHXFCSA-N 1 0 460.626 -0.480 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)C1CC1 ZINC001314651446 1070456277 /nfs/dbraw/zinc/45/62/77/1070456277.db2.gz QGFMOYCOJQFLBA-JKSUJKDBSA-N 1 0 460.626 -0.480 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001314651831 1070456301 /nfs/dbraw/zinc/45/63/01/1070456301.db2.gz SOAUNVIOXURMBO-BBWFWOEESA-N 1 0 490.652 -0.426 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001314651838 1070456283 /nfs/dbraw/zinc/45/62/83/1070456283.db2.gz SOAUNVIOXURMBO-BRWVUGGUSA-N 1 0 490.652 -0.426 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001314651839 1070456237 /nfs/dbraw/zinc/45/62/37/1070456237.db2.gz SOAUNVIOXURMBO-GVDBMIGSSA-N 1 0 490.652 -0.426 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001314651841 1070456322 /nfs/dbraw/zinc/45/63/22/1070456322.db2.gz SOAUNVIOXURMBO-ZACQAIPSSA-N 1 0 490.652 -0.426 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC001314653389 1070456298 /nfs/dbraw/zinc/45/62/98/1070456298.db2.gz YIXQELFPQFTVOU-GQIGUUNPSA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC001314653395 1070456216 /nfs/dbraw/zinc/45/62/16/1070456216.db2.gz YIXQELFPQFTVOU-GUXCAODWSA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC001314653396 1070456261 /nfs/dbraw/zinc/45/62/61/1070456261.db2.gz YIXQELFPQFTVOU-JXXFODFXSA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC001314653397 1070456308 /nfs/dbraw/zinc/45/63/08/1070456308.db2.gz YIXQELFPQFTVOU-QINHECLXSA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)C1(Cn2c(-c3cnccn3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOCC1 ZINC001314657503 1070456227 /nfs/dbraw/zinc/45/62/27/1070456227.db2.gz XOXOZLKFWAEZIU-UHFFFAOYSA-N 1 0 450.569 -0.073 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC001314658418 1070456250 /nfs/dbraw/zinc/45/62/50/1070456250.db2.gz BSPAQVYXYXOFHJ-DLBZAZTESA-N 1 0 499.638 -0.577 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC001314658419 1070456319 /nfs/dbraw/zinc/45/63/19/1070456319.db2.gz BSPAQVYXYXOFHJ-IAGOWNOFSA-N 1 0 499.638 -0.577 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC001314658420 1070456256 /nfs/dbraw/zinc/45/62/56/1070456256.db2.gz BSPAQVYXYXOFHJ-IRXDYDNUSA-N 1 0 499.638 -0.577 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC001314658421 1070456325 /nfs/dbraw/zinc/45/63/25/1070456325.db2.gz BSPAQVYXYXOFHJ-SJORKVTESA-N 1 0 499.638 -0.577 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC001314658634 1070456204 /nfs/dbraw/zinc/45/62/04/1070456204.db2.gz FWFAPSKPNWENDZ-CVEARBPZSA-N 1 0 454.597 -0.007 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC001314658635 1070456289 /nfs/dbraw/zinc/45/62/89/1070456289.db2.gz FWFAPSKPNWENDZ-HOTGVXAUSA-N 1 0 454.597 -0.007 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC001314658636 1070456311 /nfs/dbraw/zinc/45/63/11/1070456311.db2.gz FWFAPSKPNWENDZ-HZPDHXFCSA-N 1 0 454.597 -0.007 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC001314658637 1070456268 /nfs/dbraw/zinc/45/62/68/1070456268.db2.gz FWFAPSKPNWENDZ-JKSUJKDBSA-N 1 0 454.597 -0.007 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)CCCC1 ZINC001314658914 1070456824 /nfs/dbraw/zinc/45/68/24/1070456824.db2.gz IDAMFPJYEWKUSZ-HNNXBMFYSA-N 1 0 455.585 -0.578 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)CCCC1 ZINC001314658915 1070456981 /nfs/dbraw/zinc/45/69/81/1070456981.db2.gz IDAMFPJYEWKUSZ-OAHLLOKOSA-N 1 0 455.585 -0.578 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CCOCC1 ZINC001314659373 1070456853 /nfs/dbraw/zinc/45/68/53/1070456853.db2.gz NBBCJCBYLHCVPR-CVEARBPZSA-N 1 0 485.611 -0.967 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CCOCC1 ZINC001314659374 1070456913 /nfs/dbraw/zinc/45/69/13/1070456913.db2.gz NBBCJCBYLHCVPR-HOTGVXAUSA-N 1 0 485.611 -0.967 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CCOCC1 ZINC001314659375 1070457014 /nfs/dbraw/zinc/45/70/14/1070457014.db2.gz NBBCJCBYLHCVPR-HZPDHXFCSA-N 1 0 485.611 -0.967 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CCOCC1 ZINC001314659376 1070456963 /nfs/dbraw/zinc/45/69/63/1070456963.db2.gz NBBCJCBYLHCVPR-JKSUJKDBSA-N 1 0 485.611 -0.967 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CCOCC1 ZINC001314659859 1070456999 /nfs/dbraw/zinc/45/69/99/1070456999.db2.gz RCTSRBVHXRELFJ-BEFAXECRSA-N 1 0 454.597 -0.007 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCOCC1 ZINC001314659860 1070456919 /nfs/dbraw/zinc/45/69/19/1070456919.db2.gz RCTSRBVHXRELFJ-DNVCBOLYSA-N 1 0 454.597 -0.007 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCOCC1 ZINC001314659861 1070457020 /nfs/dbraw/zinc/45/70/20/1070457020.db2.gz RCTSRBVHXRELFJ-HNAYVOBHSA-N 1 0 454.597 -0.007 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](C)(C(N)=O)C2)CCOCC1 ZINC001314659862 1070456944 /nfs/dbraw/zinc/45/69/44/1070456944.db2.gz RCTSRBVHXRELFJ-KXBFYZLASA-N 1 0 454.597 -0.007 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)CCOCC1 ZINC001314660580 1070456991 /nfs/dbraw/zinc/45/69/91/1070456991.db2.gz VRUDANPHBFUYEC-INIZCTEOSA-N 1 0 458.585 -0.442 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)CCOCC1 ZINC001314660585 1070456905 /nfs/dbraw/zinc/45/69/05/1070456905.db2.gz VRUDANPHBFUYEC-MRXNPFEDSA-N 1 0 458.585 -0.442 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001314665677 1070456933 /nfs/dbraw/zinc/45/69/33/1070456933.db2.gz KUTWNIUQLDPMIF-HNNXBMFYSA-N 1 0 478.641 -0.566 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001314665678 1070456865 /nfs/dbraw/zinc/45/68/65/1070456865.db2.gz KUTWNIUQLDPMIF-OAHLLOKOSA-N 1 0 478.641 -0.566 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001314666341 1070457745 /nfs/dbraw/zinc/45/77/45/1070457745.db2.gz UCDWAERXYXQJHF-HNNXBMFYSA-N 1 0 462.642 -0.150 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001314666342 1070457733 /nfs/dbraw/zinc/45/77/33/1070457733.db2.gz UCDWAERXYXQJHF-OAHLLOKOSA-N 1 0 462.642 -0.150 20 0 JBADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001314669571 1070457721 /nfs/dbraw/zinc/45/77/21/1070457721.db2.gz BTHFIUNVUUSIQK-UHFFFAOYSA-N 1 0 476.582 -0.981 20 0 JBADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001314670048 1070457749 /nfs/dbraw/zinc/45/77/49/1070457749.db2.gz NVPLRWNSAQPTDF-FQEVSTJZSA-N 1 0 489.669 -0.287 20 0 JBADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001314670169 1070457739 /nfs/dbraw/zinc/45/77/39/1070457739.db2.gz NVPLRWNSAQPTDF-HXUWFJFHSA-N 1 0 489.669 -0.287 20 0 JBADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001314670694 1070457727 /nfs/dbraw/zinc/45/77/27/1070457727.db2.gz LLSPDYLXNGTRPK-UHFFFAOYSA-N 1 0 457.601 -0.436 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(C(=O)C(=O)N4CCCC4)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001314671136 1070457732 /nfs/dbraw/zinc/45/77/32/1070457732.db2.gz PUNWSOJNGLAUCK-UHFFFAOYSA-N 1 0 473.582 -0.472 20 0 JBADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001314671985 1070457725 /nfs/dbraw/zinc/45/77/25/1070457725.db2.gz ZZXPTHCBJPMGFR-IBGZPJMESA-N 1 0 476.626 -0.027 20 0 JBADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001314671986 1070457718 /nfs/dbraw/zinc/45/77/18/1070457718.db2.gz ZZXPTHCBJPMGFR-LJQANCHMSA-N 1 0 476.626 -0.027 20 0 JBADRO CN1C(=O)N[C@H](C2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001314672279 1070457756 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COCCO[C@@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001316204677 1070559132 /nfs/dbraw/zinc/55/91/32/1070559132.db2.gz MBZBLPCENVXQJX-PGRDOPGGSA-N 1 0 481.598 -0.357 20 0 JBADRO COCCO[C@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001316204678 1070559967 /nfs/dbraw/zinc/55/99/67/1070559967.db2.gz MBZBLPCENVXQJX-XMSQKQJNSA-N 1 0 481.598 -0.357 20 0 JBADRO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCS(C)(=O)=O ZINC001316206029 1070560193 /nfs/dbraw/zinc/56/01/93/1070560193.db2.gz VVPXERKBBDVJHP-DLBZAZTESA-N 1 0 472.612 -0.211 20 0 JBADRO COCCO[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCS(C)(=O)=O ZINC001316206030 1070560135 /nfs/dbraw/zinc/56/01/35/1070560135.db2.gz VVPXERKBBDVJHP-IAGOWNOFSA-N 1 0 472.612 -0.211 20 0 JBADRO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCS(C)(=O)=O ZINC001316206031 1070559925 /nfs/dbraw/zinc/55/99/25/1070559925.db2.gz VVPXERKBBDVJHP-IRXDYDNUSA-N 1 0 472.612 -0.211 20 0 JBADRO 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JBADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001316296359 1070566051 /nfs/dbraw/zinc/56/60/51/1070566051.db2.gz DUSUWFJIIMRFOR-ULQDDVLXSA-N 1 0 463.583 -0.263 20 0 JBADRO CO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001316327584 1070567552 /nfs/dbraw/zinc/56/75/52/1070567552.db2.gz YCJFFVZGMOIBBE-DLBZAZTESA-N 1 0 472.612 -0.053 20 0 JBADRO CO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001316327585 1070567394 /nfs/dbraw/zinc/56/73/94/1070567394.db2.gz YCJFFVZGMOIBBE-IRXDYDNUSA-N 1 0 472.612 -0.053 20 0 JBADRO CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316347204 1070571089 /nfs/dbraw/zinc/57/10/89/1070571089.db2.gz KEWJBUPQVPPFAN-INIZCTEOSA-N 1 0 467.596 -0.592 20 0 JBADRO CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316347205 1070570892 /nfs/dbraw/zinc/57/08/92/1070570892.db2.gz KEWJBUPQVPPFAN-MRXNPFEDSA-N 1 0 467.596 -0.592 20 0 JBADRO 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CS(=O)(=O)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316351463 1070573100 /nfs/dbraw/zinc/57/31/00/1070573100.db2.gz PCTQLXQFJSZORV-KRWDZBQOSA-N 1 0 497.622 -0.965 20 0 JBADRO CS(=O)(=O)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316351465 1070572870 /nfs/dbraw/zinc/57/28/70/1070572870.db2.gz PCTQLXQFJSZORV-QGZVFWFLSA-N 1 0 497.622 -0.965 20 0 JBADRO CS(=O)(=O)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001316351660 1070573013 /nfs/dbraw/zinc/57/30/13/1070573013.db2.gz SQKMAUNNSBDTRZ-DLBZAZTESA-N 1 0 470.596 -0.551 20 0 JBADRO CS(=O)(=O)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001316351661 1070572900 /nfs/dbraw/zinc/57/29/00/1070572900.db2.gz SQKMAUNNSBDTRZ-IAGOWNOFSA-N 1 0 470.596 -0.551 20 0 JBADRO CS(=O)(=O)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001316351662 1070572729 /nfs/dbraw/zinc/57/27/29/1070572729.db2.gz SQKMAUNNSBDTRZ-IRXDYDNUSA-N 1 0 470.596 -0.551 20 0 JBADRO 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CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001316353588 1070575067 /nfs/dbraw/zinc/57/50/67/1070575067.db2.gz ALGAWHKGCGYNGP-CVEARBPZSA-N 1 0 453.569 -0.816 20 0 JBADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001316353589 1070574685 /nfs/dbraw/zinc/57/46/85/1070574685.db2.gz ALGAWHKGCGYNGP-HOTGVXAUSA-N 1 0 453.569 -0.816 20 0 JBADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001316353590 1070574722 /nfs/dbraw/zinc/57/47/22/1070574722.db2.gz ALGAWHKGCGYNGP-HZPDHXFCSA-N 1 0 453.569 -0.816 20 0 JBADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@H+]2CC=CCC2)C1 ZINC001316353591 1070575012 /nfs/dbraw/zinc/57/50/12/1070575012.db2.gz ALGAWHKGCGYNGP-JKSUJKDBSA-N 1 0 453.569 -0.816 20 0 JBADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCCCO)C1 ZINC001316353632 1070574758 /nfs/dbraw/zinc/57/47/58/1070574758.db2.gz BMHJDPUVAIBEHA-MOPGFXCFSA-N 1 0 486.639 -0.068 20 0 JBADRO 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CS(=O)(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCCC[NH+]2CCOCC2)CC1 ZINC001316353820 1070575360 /nfs/dbraw/zinc/57/53/60/1070575360.db2.gz LHHCQIBPJGZLBB-UHFFFAOYSA-N 1 0 469.612 -0.406 20 0 JBADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCNC(=O)CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001316353821 1070575502 /nfs/dbraw/zinc/57/55/02/1070575502.db2.gz CKYFRIWZHCWONQ-ROUUACIJSA-N 1 0 499.638 -0.826 20 0 JBADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCNC(=O)CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001316353823 1070575455 /nfs/dbraw/zinc/57/54/55/1070575455.db2.gz CKYFRIWZHCWONQ-ZWKOTPCHSA-N 1 0 499.638 -0.826 20 0 JBADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[NH+]2CCCC2)C1 ZINC001316353853 1070575426 /nfs/dbraw/zinc/57/54/26/1070575426.db2.gz CYRNKJJTEQAGJC-CVEARBPZSA-N 1 0 455.585 -0.592 20 0 JBADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[NH+]2CCCC2)C1 ZINC001316353855 1070575667 /nfs/dbraw/zinc/57/56/67/1070575667.db2.gz CYRNKJJTEQAGJC-HOTGVXAUSA-N 1 0 455.585 -0.592 20 0 JBADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[NH+]2CCCC2)C1 ZINC001316353857 1070575344 /nfs/dbraw/zinc/57/53/44/1070575344.db2.gz CYRNKJJTEQAGJC-HZPDHXFCSA-N 1 0 455.585 -0.592 20 0 JBADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[NH+]2CCCC2)C1 ZINC001316353859 1070575442 /nfs/dbraw/zinc/57/54/42/1070575442.db2.gz CYRNKJJTEQAGJC-JKSUJKDBSA-N 1 0 455.585 -0.592 20 0 JBADRO CS(=O)(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001316354266 1070576016 /nfs/dbraw/zinc/57/60/16/1070576016.db2.gz BFEICTYFMRZYPZ-UHFFFAOYSA-N 1 0 483.639 -0.235 20 0 JBADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCS(=O)CC3)n2CC[NH+]2CCCCC2)C1 ZINC001316355083 1070576568 /nfs/dbraw/zinc/57/65/68/1070576568.db2.gz IWXCAQZXFNVZJC-INIZCTEOSA-N 1 0 460.626 -0.334 20 0 JBADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCS(=O)CC3)n2CC[NH+]2CCCCC2)C1 ZINC001316355088 1070576899 /nfs/dbraw/zinc/57/68/99/1070576899.db2.gz IWXCAQZXFNVZJC-MRXNPFEDSA-N 1 0 460.626 -0.334 20 0 JBADRO CS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316356683 1070578943 /nfs/dbraw/zinc/57/89/43/1070578943.db2.gz OPQFMHNXWBFICA-UHFFFAOYSA-N 1 0 464.596 -0.043 20 0 JBADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCCOCC3)n2CC[NH+]2CCSCC2)C1 ZINC001316358455 1070580660 /nfs/dbraw/zinc/58/06/60/1070580660.db2.gz YXESHNBXZDCXML-INIZCTEOSA-N 1 0 460.626 -0.114 20 0 JBADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCCOCC3)n2CC[NH+]2CCSCC2)C1 ZINC001316358456 1070580612 /nfs/dbraw/zinc/58/06/12/1070580612.db2.gz YXESHNBXZDCXML-MRXNPFEDSA-N 1 0 460.626 -0.114 20 0 JBADRO CS(=O)(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001316359269 1070581294 /nfs/dbraw/zinc/58/12/94/1070581294.db2.gz TVBBOFPIBREGAR-CVEARBPZSA-N 1 0 455.585 -0.673 20 0 JBADRO CS(=O)(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001316359270 1070581330 /nfs/dbraw/zinc/58/13/30/1070581330.db2.gz TVBBOFPIBREGAR-HOTGVXAUSA-N 1 0 455.585 -0.673 20 0 JBADRO CS(=O)(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001316359271 1070581110 /nfs/dbraw/zinc/58/11/10/1070581110.db2.gz TVBBOFPIBREGAR-HZPDHXFCSA-N 1 0 455.585 -0.673 20 0 JBADRO CS(=O)(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001316359272 1070581207 /nfs/dbraw/zinc/58/12/07/1070581207.db2.gz TVBBOFPIBREGAR-JKSUJKDBSA-N 1 0 455.585 -0.673 20 0 JBADRO CS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316359311 1070581245 /nfs/dbraw/zinc/58/12/45/1070581245.db2.gz UZIITZKHNUGAEN-UHFFFAOYSA-N 1 0 490.634 -0.052 20 0 JBADRO CS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001316359505 1070581882 /nfs/dbraw/zinc/58/18/82/1070581882.db2.gz XLUDBNDHAVHOSN-INIZCTEOSA-N 1 0 450.569 -0.025 20 0 JBADRO CS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001316359506 1070581810 /nfs/dbraw/zinc/58/18/10/1070581810.db2.gz XLUDBNDHAVHOSN-MRXNPFEDSA-N 1 0 450.569 -0.025 20 0 JBADRO CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001316359682 1070581835 /nfs/dbraw/zinc/58/18/35/1070581835.db2.gz IFSRYDJXAPHWGD-UHFFFAOYSA-N 1 0 469.612 -0.359 20 0 JBADRO CS(=O)(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001316360244 1070581967 /nfs/dbraw/zinc/58/19/67/1070581967.db2.gz RKSXZBKDFJNAIS-UHFFFAOYSA-N 1 0 483.639 -0.112 20 0 JBADRO CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316360278 1070582417 /nfs/dbraw/zinc/58/24/17/1070582417.db2.gz SHSRZEWWXXDAMF-QGZVFWFLSA-N 1 0 469.612 -0.187 20 0 JBADRO CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001316360370 1070582532 /nfs/dbraw/zinc/58/25/32/1070582532.db2.gz UNOXUUPYDHOOGX-UHFFFAOYSA-N 1 0 469.612 -0.388 20 0 JBADRO CS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001316361065 1070582441 /nfs/dbraw/zinc/58/24/41/1070582441.db2.gz BMYRDUZZYQFCFC-UHFFFAOYSA-N 1 0 476.607 -0.443 20 0 JBADRO CS(=O)(=O)NCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1 ZINC001316362323 1070583021 /nfs/dbraw/zinc/58/30/21/1070583021.db2.gz PURWZDNZWUTDKH-UHFFFAOYSA-N 1 0 476.607 -0.872 20 0 JBADRO CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)(=O)CC2)CC[NH+](C)CC1 ZINC001316398084 1070584751 /nfs/dbraw/zinc/58/47/51/1070584751.db2.gz IVQKQAUMULHRAH-AWEZNQCLSA-N 1 0 480.682 -0.050 20 0 JBADRO CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)(=O)CC2)CC[NH+](C)CC1 ZINC001316398085 1070584692 /nfs/dbraw/zinc/58/46/92/1070584692.db2.gz IVQKQAUMULHRAH-CQSZACIVSA-N 1 0 480.682 -0.050 20 0 JBADRO CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC[NH+](C)CC1 ZINC001316398796 1070584830 /nfs/dbraw/zinc/58/48/30/1070584830.db2.gz FMPFPWVGEUIKJF-HNNXBMFYSA-N 1 0 478.623 -0.609 20 0 JBADRO CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC[NH+](C)CC1 ZINC001316398798 1070584921 /nfs/dbraw/zinc/58/49/21/1070584921.db2.gz FMPFPWVGEUIKJF-OAHLLOKOSA-N 1 0 478.623 -0.609 20 0 JBADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N(C)C ZINC001316504740 1070587549 /nfs/dbraw/zinc/58/75/49/1070587549.db2.gz OFGGAMRAXIQSHX-KRWDZBQOSA-N 1 0 483.639 -0.019 20 0 JBADRO O=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)NCC(F)(F)F ZINC001316557398 1070588289 /nfs/dbraw/zinc/58/82/89/1070588289.db2.gz FKRNZDFJGLBAJB-AWEZNQCLSA-N 1 0 486.499 -0.348 20 0 JBADRO O=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)NCC(F)(F)F ZINC001316557399 1070588191 /nfs/dbraw/zinc/58/81/91/1070588191.db2.gz FKRNZDFJGLBAJB-CQSZACIVSA-N 1 0 486.499 -0.348 20 0 JBADRO O=C(Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)NCC(F)F ZINC001316558884 1070588779 /nfs/dbraw/zinc/58/87/79/1070588779.db2.gz RDACVINEQZOPEQ-UHFFFAOYSA-N 1 0 463.493 -0.139 20 0 JBADRO O=C1CCCN1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001316572155 1070590003 /nfs/dbraw/zinc/59/00/03/1070590003.db2.gz LWECSQRLWSGAQC-KRWDZBQOSA-N 1 0 454.597 -0.128 20 0 JBADRO O=C1CCCN1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001316572157 1070589898 /nfs/dbraw/zinc/58/98/98/1070589898.db2.gz LWECSQRLWSGAQC-QGZVFWFLSA-N 1 0 454.597 -0.128 20 0 JBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001318078726 1070601377 /nfs/dbraw/zinc/60/13/77/1070601377.db2.gz UHJHOYOWTLRMIN-GOSISDBHSA-N 1 0 463.560 -0.639 20 0 JBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001318078735 1070601286 /nfs/dbraw/zinc/60/12/86/1070601286.db2.gz UHJHOYOWTLRMIN-SFHVURJKSA-N 1 0 463.560 -0.639 20 0 JBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)c2=O ZINC001318212227 1070603003 /nfs/dbraw/zinc/60/30/03/1070603003.db2.gz QJFULVRYJPELMP-GFCCVEGCSA-N 1 0 466.340 -0.167 20 0 JBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)c2=O ZINC001318212228 1070603199 /nfs/dbraw/zinc/60/31/99/1070603199.db2.gz QJFULVRYJPELMP-LBPRGKRZSA-N 1 0 466.340 -0.167 20 0 JBADRO C[NH+]1CCN(Cc2cccc(CNC(=O)NCCN3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC001318279924 1070604744 /nfs/dbraw/zinc/60/47/44/1070604744.db2.gz CRWVPOYUAJCCDG-UHFFFAOYSA-N 1 0 452.625 -0.190 20 0 JBADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c2)CC1 ZINC001318315953 1070605636 /nfs/dbraw/zinc/60/56/36/1070605636.db2.gz UNXDAIUJHNDROU-UHFFFAOYSA-N 1 0 470.574 -0.063 20 0 JBADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)cn1C ZINC001318433931 1070607102 /nfs/dbraw/zinc/60/71/02/1070607102.db2.gz IQJFTVPSARDIMB-KRWDZBQOSA-N 1 0 454.597 -0.167 20 0 JBADRO Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)cn1C ZINC001318433937 1070607334 /nfs/dbraw/zinc/60/73/34/1070607334.db2.gz IQJFTVPSARDIMB-QGZVFWFLSA-N 1 0 454.597 -0.167 20 0 JBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)CC2)CC1 ZINC001318433993 1070607284 /nfs/dbraw/zinc/60/72/84/1070607284.db2.gz JIUHVUSTHZGZCV-UHFFFAOYSA-N 1 0 493.678 -0.247 20 0 JBADRO Cn1c2ncn(CCC(=O)NCc3cccc(CN4CC[NH+](C)CC4)c3)c2c(=O)n(C)c1=O ZINC001318434616 1070607179 /nfs/dbraw/zinc/60/71/79/1070607179.db2.gz YKRJDWYNQOLIIF-UHFFFAOYSA-N 1 0 453.547 -0.112 20 0 JBADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001321526845 1070612388 /nfs/dbraw/zinc/61/23/88/1070612388.db2.gz BBHMBWKDFZIBQQ-HNNXBMFYSA-N 1 0 475.662 -0.001 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001321526846 1070612512 /nfs/dbraw/zinc/61/25/12/1070612512.db2.gz BBHMBWKDFZIBQQ-OAHLLOKOSA-N 1 0 475.662 -0.001 20 0 JBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3ccccc3N3CC[NH+](C)CC3)CC2)CC1 ZINC001321563475 1070613476 /nfs/dbraw/zinc/61/34/76/1070613476.db2.gz LLVLARCFPITTJR-UHFFFAOYSA-N 1 0 479.651 -0.242 20 0 JBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001322306752 1070617803 /nfs/dbraw/zinc/61/78/03/1070617803.db2.gz ACMBNZGKVVOSTO-GOSISDBHSA-N 1 0 463.560 -0.639 20 0 JBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001322306760 1070617761 /nfs/dbraw/zinc/61/77/61/1070617761.db2.gz ACMBNZGKVVOSTO-SFHVURJKSA-N 1 0 463.560 -0.639 20 0 JBADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC001325982182 1070622280 /nfs/dbraw/zinc/62/22/80/1070622280.db2.gz SVBLONBCWUHJTQ-UHFFFAOYSA-N 1 0 452.577 -0.046 20 0 JBADRO C[NH+](C)CCN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001326412647 1070622088 /nfs/dbraw/zinc/62/20/88/1070622088.db2.gz MZCKMMSYDGGSCV-GOSISDBHSA-N 1 0 460.622 -0.526 20 0 JBADRO C[NH+](C)CCN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001326412648 1070622345 /nfs/dbraw/zinc/62/23/45/1070622345.db2.gz MZCKMMSYDGGSCV-SFHVURJKSA-N 1 0 460.622 -0.526 20 0 JBADRO CN1CC[NH+](CCCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC001326427866 1070622135 /nfs/dbraw/zinc/62/21/35/1070622135.db2.gz DSPUIYWPTPXCHH-UHFFFAOYSA-N 1 0 456.569 -0.578 20 0 JBADRO C[NH+]1CCN(c2ccccc2CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC001326471243 1070622325 /nfs/dbraw/zinc/62/23/25/1070622325.db2.gz RVEOKUDOJMLARA-UHFFFAOYSA-N 1 0 466.608 -0.157 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001327053793 1070623355 /nfs/dbraw/zinc/62/33/55/1070623355.db2.gz AELFLMDAHQFBJA-ACRUOGEOSA-N 1 0 494.662 -0.319 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001327053794 1070623345 /nfs/dbraw/zinc/62/33/45/1070623345.db2.gz AELFLMDAHQFBJA-HKBOAZHASA-N 1 0 494.662 -0.319 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001327053795 1070623252 /nfs/dbraw/zinc/62/32/52/1070623252.db2.gz AELFLMDAHQFBJA-PCCBWWKXSA-N 1 0 494.662 -0.319 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001327053796 1070623141 /nfs/dbraw/zinc/62/31/41/1070623141.db2.gz AELFLMDAHQFBJA-QHAWAJNXSA-N 1 0 494.662 -0.319 20 0 JBADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 ZINC001327910744 1070623329 /nfs/dbraw/zinc/62/33/29/1070623329.db2.gz JCIVBFATRSCYEY-CVEARBPZSA-N 1 0 464.548 -0.320 20 0 JBADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 ZINC001327910745 1070623217 /nfs/dbraw/zinc/62/32/17/1070623217.db2.gz JCIVBFATRSCYEY-HOTGVXAUSA-N 1 0 464.548 -0.320 20 0 JBADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 ZINC001327910746 1070623065 /nfs/dbraw/zinc/62/30/65/1070623065.db2.gz JCIVBFATRSCYEY-HZPDHXFCSA-N 1 0 464.548 -0.320 20 0 JBADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 ZINC001327910747 1070623308 /nfs/dbraw/zinc/62/33/08/1070623308.db2.gz JCIVBFATRSCYEY-JKSUJKDBSA-N 1 0 464.548 -0.320 20 0 JBADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)[C@H](c2cnn(C)c2)C1 ZINC001327913115 1070624252 /nfs/dbraw/zinc/62/42/52/1070624252.db2.gz YWUNGQHHDQRTFK-MSOLQXFVSA-N 1 0 458.567 -0.277 20 0 JBADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)[C@@H](c2cnn(C)c2)C1 ZINC001327913117 1070624059 /nfs/dbraw/zinc/62/40/59/1070624059.db2.gz YWUNGQHHDQRTFK-QZTJIDSGSA-N 1 0 458.567 -0.277 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)[C@H](c2cnn(C)c2)C1 ZINC001327913118 1070624229 /nfs/dbraw/zinc/62/42/29/1070624229.db2.gz YWUNGQHHDQRTFK-ROUUACIJSA-N 1 0 458.567 -0.277 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)[C@@H](c2cnn(C)c2)C1 ZINC001327913119 1070624123 /nfs/dbraw/zinc/62/41/23/1070624123.db2.gz YWUNGQHHDQRTFK-ZWKOTPCHSA-N 1 0 458.567 -0.277 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)[C@H](c2cnn(C)c2)C1 ZINC001333167525 1070625935 /nfs/dbraw/zinc/62/59/35/1070625935.db2.gz NFAABUOPLWQOJA-HAGHYFMRSA-N 1 0 453.609 -0.464 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001333167538 1070626006 /nfs/dbraw/zinc/62/60/06/1070626006.db2.gz NFAABUOPLWQOJA-MTQWCTHYSA-N 1 0 453.609 -0.464 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001333167542 1070626173 /nfs/dbraw/zinc/62/61/73/1070626173.db2.gz NFAABUOPLWQOJA-NMLBUPMWSA-N 1 0 453.609 -0.464 20 0 JBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)[C@H](c2cnn(C)c2)C1 ZINC001333167545 1070625984 /nfs/dbraw/zinc/62/59/84/1070625984.db2.gz NFAABUOPLWQOJA-VNTMZGSJSA-N 1 0 453.609 -0.464 20 0 JBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC001337419316 1070628248 /nfs/dbraw/zinc/62/82/48/1070628248.db2.gz CULJWPCDYFRXKD-UHFFFAOYSA-N 1 0 478.638 -0.519 20 0 JBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001338288542 1070630312 /nfs/dbraw/zinc/63/03/12/1070630312.db2.gz HCJAZPBBOMBVDG-IBGZPJMESA-N 1 0 465.576 -0.275 20 0 JBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001338288544 1070630560 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1070737857 /nfs/dbraw/zinc/73/78/57/1070737857.db2.gz ANGRENSUFFXLES-ROUUACIJSA-N 1 0 472.612 -0.007 20 0 JBADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2COCCO2)CC1 ZINC001360307971 1070737732 /nfs/dbraw/zinc/73/77/32/1070737732.db2.gz ANGRENSUFFXLES-ZWKOTPCHSA-N 1 0 472.612 -0.007 20 0 JBADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)CC1 ZINC001360309566 1070737667 /nfs/dbraw/zinc/73/76/67/1070737667.db2.gz YGKXAGCTHODPAS-INIZCTEOSA-N 1 0 493.656 -0.873 20 0 JBADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)CC1 ZINC001360309570 1070737838 /nfs/dbraw/zinc/73/78/38/1070737838.db2.gz YGKXAGCTHODPAS-MRXNPFEDSA-N 1 0 493.656 -0.873 20 0 JBADRO CC(C)NS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360312485 1070737763 /nfs/dbraw/zinc/73/77/63/1070737763.db2.gz UBTUCNNNTGCFLY-HNNXBMFYSA-N 1 0 465.646 -0.254 20 0 JBADRO CC(C)NS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001360312486 1070737823 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C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001360570257 1070741891 /nfs/dbraw/zinc/74/18/91/1070741891.db2.gz LUEGWOBVRZSBLW-BRWVUGGUSA-N 1 0 457.601 -0.918 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001360570261 1070741774 /nfs/dbraw/zinc/74/17/74/1070741774.db2.gz LUEGWOBVRZSBLW-IKGGRYGDSA-N 1 0 457.601 -0.918 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001360570263 1070742100 /nfs/dbraw/zinc/74/21/00/1070742100.db2.gz LUEGWOBVRZSBLW-IXDOHACOSA-N 1 0 457.601 -0.918 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001360570265 1070741845 /nfs/dbraw/zinc/74/18/45/1070741845.db2.gz LUEGWOBVRZSBLW-ZACQAIPSSA-N 1 0 457.601 -0.918 20 0 JBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001360571330 1070741805 /nfs/dbraw/zinc/74/18/05/1070741805.db2.gz UNCLLKRZZRQNGR-MSOLQXFVSA-N 1 0 483.639 -0.889 20 0 JBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001360571331 1070741999 /nfs/dbraw/zinc/74/19/99/1070741999.db2.gz UNCLLKRZZRQNGR-QZTJIDSGSA-N 1 0 483.639 -0.889 20 0 JBADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001360571332 1070742050 /nfs/dbraw/zinc/74/20/50/1070742050.db2.gz UNCLLKRZZRQNGR-ROUUACIJSA-N 1 0 483.639 -0.889 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001360571333 1070741980 /nfs/dbraw/zinc/74/19/80/1070741980.db2.gz UNCLLKRZZRQNGR-ZWKOTPCHSA-N 1 0 483.639 -0.889 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001360571338 1070742079 /nfs/dbraw/zinc/74/20/79/1070742079.db2.gz UPGLULCYEPHEOY-CEXWTWQISA-N 1 0 485.655 -0.280 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001360571339 1070741955 /nfs/dbraw/zinc/74/19/55/1070741955.db2.gz UPGLULCYEPHEOY-GUDVDZBRSA-N 1 0 485.655 -0.280 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001360571340 1070741692 /nfs/dbraw/zinc/74/16/92/1070741692.db2.gz UPGLULCYEPHEOY-QRVBRYPASA-N 1 0 485.655 -0.280 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001360571341 1070742799 /nfs/dbraw/zinc/74/27/99/1070742799.db2.gz UPGLULCYEPHEOY-QYZOEREBSA-N 1 0 485.655 -0.280 20 0 JBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001360571394 1070742670 /nfs/dbraw/zinc/74/26/70/1070742670.db2.gz VDBQDOIXULHAJV-CVEARBPZSA-N 1 0 476.607 -0.049 20 0 JBADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001360571395 1070742424 /nfs/dbraw/zinc/74/24/24/1070742424.db2.gz VDBQDOIXULHAJV-HOTGVXAUSA-N 1 0 476.607 -0.049 20 0 JBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001360571396 1070742531 /nfs/dbraw/zinc/74/25/31/1070742531.db2.gz VDBQDOIXULHAJV-HZPDHXFCSA-N 1 0 476.607 -0.049 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001360571397 1070742742 /nfs/dbraw/zinc/74/27/42/1070742742.db2.gz VDBQDOIXULHAJV-JKSUJKDBSA-N 1 0 476.607 -0.049 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001360571434 1070742655 /nfs/dbraw/zinc/74/26/55/1070742655.db2.gz VUNVUZCNJHTWIK-FZKCQIBNSA-N 1 0 471.584 -0.504 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001360571435 1070742409 /nfs/dbraw/zinc/74/24/09/1070742409.db2.gz VUNVUZCNJHTWIK-LVQVYYBASA-N 1 0 471.584 -0.504 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001360571436 1070742553 /nfs/dbraw/zinc/74/25/53/1070742553.db2.gz VUNVUZCNJHTWIK-WCVJEAGWSA-N 1 0 471.584 -0.504 20 0 JBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001360571437 1070742779 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1070742473 /nfs/dbraw/zinc/74/24/73/1070742473.db2.gz JLXDUEJBHGIQKR-DLBZAZTESA-N 1 0 460.583 -0.315 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360596897 1070742644 /nfs/dbraw/zinc/74/26/44/1070742644.db2.gz JLXDUEJBHGIQKR-IAGOWNOFSA-N 1 0 460.583 -0.315 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360596898 1070742598 /nfs/dbraw/zinc/74/25/98/1070742598.db2.gz JLXDUEJBHGIQKR-IRXDYDNUSA-N 1 0 460.583 -0.315 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360596899 1070742825 /nfs/dbraw/zinc/74/28/25/1070742825.db2.gz JLXDUEJBHGIQKR-SJORKVTESA-N 1 0 460.583 -0.315 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360621780 1070744118 /nfs/dbraw/zinc/74/41/18/1070744118.db2.gz FDZULULEMXHEJT-DJIMGWMZSA-N 1 0 492.668 -0.180 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360621782 1070743867 /nfs/dbraw/zinc/74/38/67/1070743867.db2.gz FDZULULEMXHEJT-HYVNUMGLSA-N 1 0 492.668 -0.180 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001360621784 1070744009 /nfs/dbraw/zinc/74/40/09/1070744009.db2.gz FDZULULEMXHEJT-OIISXLGYSA-N 1 0 492.668 -0.180 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001360621785 1070743828 /nfs/dbraw/zinc/74/38/28/1070743828.db2.gz FDZULULEMXHEJT-PVAVHDDUSA-N 1 0 492.668 -0.180 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001360650520 1070744728 /nfs/dbraw/zinc/74/47/28/1070744728.db2.gz BAXHVHJYWIPNBC-KBPBESRZSA-N 1 0 465.646 -0.301 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001360650521 1070744636 /nfs/dbraw/zinc/74/46/36/1070744636.db2.gz BAXHVHJYWIPNBC-KGLIPLIRSA-N 1 0 465.646 -0.301 20 0 JBADRO 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20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[NH+]1CCCC1 ZINC001360679396 1070748955 /nfs/dbraw/zinc/74/89/55/1070748955.db2.gz VCXHHSXZEZVRDH-GDBMZVCRSA-N 1 0 482.611 -0.249 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[NH+]1CCCC1 ZINC001360679397 1070748771 /nfs/dbraw/zinc/74/87/71/1070748771.db2.gz VCXHHSXZEZVRDH-GOEBONIOSA-N 1 0 482.611 -0.249 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[NH+]1CCCC1 ZINC001360679398 1070748994 /nfs/dbraw/zinc/74/89/94/1070748994.db2.gz VCXHHSXZEZVRDH-HOCLYGCPSA-N 1 0 482.611 -0.249 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[NH+]1CCCC1 ZINC001360679399 1070748940 /nfs/dbraw/zinc/74/89/40/1070748940.db2.gz VCXHHSXZEZVRDH-ZBFHGGJFSA-N 1 0 482.611 -0.249 20 0 JBADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3COCCO3)C2)CC1 ZINC001360683754 1070750397 /nfs/dbraw/zinc/75/03/97/1070750397.db2.gz GUSWBOFVLLMETL-FHWLQOOXSA-N 1 0 485.655 -0.092 20 0 JBADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3COCCO3)C2)CC1 ZINC001360683759 1070750419 /nfs/dbraw/zinc/75/04/19/1070750419.db2.gz GUSWBOFVLLMETL-GBESFXJTSA-N 1 0 485.655 -0.092 20 0 JBADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3COCCO3)C2)CC1 ZINC001360683764 1070750134 /nfs/dbraw/zinc/75/01/34/1070750134.db2.gz GUSWBOFVLLMETL-IPMKNSEASA-N 1 0 485.655 -0.092 20 0 JBADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3COCCO3)C2)CC1 ZINC001360683769 1070750106 /nfs/dbraw/zinc/75/01/06/1070750106.db2.gz GUSWBOFVLLMETL-OTWHNJEPSA-N 1 0 485.655 -0.092 20 0 JBADRO CC(C)[NH+]1CCN(C2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)CC1 ZINC001360684133 1070750941 /nfs/dbraw/zinc/75/09/41/1070750941.db2.gz KZPHHINVGARWHX-KRWDZBQOSA-N 1 0 484.671 -0.029 20 0 JBADRO CC(C)[NH+]1CCN(C2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)CC1 ZINC001360684134 1070750875 /nfs/dbraw/zinc/75/08/75/1070750875.db2.gz KZPHHINVGARWHX-QGZVFWFLSA-N 1 0 484.671 -0.029 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCC[NH+]1CCCC1 ZINC001360684427 1070750991 /nfs/dbraw/zinc/75/09/91/1070750991.db2.gz AMEHXAIEBBWEIV-HNNXBMFYSA-N 1 0 482.611 -0.105 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCC[NH+]1CCCC1 ZINC001360684428 1070751366 /nfs/dbraw/zinc/75/13/66/1070751366.db2.gz AMEHXAIEBBWEIV-OAHLLOKOSA-N 1 0 482.611 -0.105 20 0 JBADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCS(C)(=O)=O)C2)CC1 ZINC001360685508 1070752069 /nfs/dbraw/zinc/75/20/69/1070752069.db2.gz WRGOTCMUCJDRCH-DLBZAZTESA-N 1 0 491.684 -0.462 20 0 JBADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCS(C)(=O)=O)C2)CC1 ZINC001360685509 1070752198 /nfs/dbraw/zinc/75/21/98/1070752198.db2.gz WRGOTCMUCJDRCH-IAGOWNOFSA-N 1 0 491.684 -0.462 20 0 JBADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCS(C)(=O)=O)C2)CC1 ZINC001360685510 1070752240 /nfs/dbraw/zinc/75/22/40/1070752240.db2.gz WRGOTCMUCJDRCH-IRXDYDNUSA-N 1 0 491.684 -0.462 20 0 JBADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCS(C)(=O)=O)C2)CC1 ZINC001360685511 1070752048 /nfs/dbraw/zinc/75/20/48/1070752048.db2.gz WRGOTCMUCJDRCH-SJORKVTESA-N 1 0 491.684 -0.462 20 0 JBADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001360685711 1070752815 /nfs/dbraw/zinc/75/28/15/1070752815.db2.gz YRHAEYPBVHICRC-DLBZAZTESA-N 1 0 470.644 -0.419 20 0 JBADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001360685712 1070752703 /nfs/dbraw/zinc/75/27/03/1070752703.db2.gz YRHAEYPBVHICRC-IAGOWNOFSA-N 1 0 470.644 -0.419 20 0 JBADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001360685713 1070752626 /nfs/dbraw/zinc/75/26/26/1070752626.db2.gz YRHAEYPBVHICRC-IRXDYDNUSA-N 1 0 470.644 -0.419 20 0 JBADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C2)CC1 ZINC001360685714 1070752547 /nfs/dbraw/zinc/75/25/47/1070752547.db2.gz YRHAEYPBVHICRC-SJORKVTESA-N 1 0 470.644 -0.419 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[N@@H+]1CCC[C@H]1C ZINC001360686113 1070752724 /nfs/dbraw/zinc/75/27/24/1070752724.db2.gz SNNDUJVNJOSWGI-CABCVRRESA-N 1 0 482.611 -0.107 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360686114 1070752778 /nfs/dbraw/zinc/75/27/78/1070752778.db2.gz SNNDUJVNJOSWGI-GJZGRUSLSA-N 1 0 482.611 -0.107 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[N@@H+]1CCC[C@H]1C ZINC001360686115 1070752589 /nfs/dbraw/zinc/75/25/89/1070752589.db2.gz SNNDUJVNJOSWGI-HUUCEWRRSA-N 1 0 482.611 -0.107 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001360686116 1070752670 /nfs/dbraw/zinc/75/26/70/1070752670.db2.gz SNNDUJVNJOSWGI-LSDHHAIUSA-N 1 0 482.611 -0.107 20 0 JBADRO 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CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001443891892 1070804216 /nfs/dbraw/zinc/80/42/16/1070804216.db2.gz BBKADFIJUGOILO-QGZVFWFLSA-N 1 0 453.609 -0.003 20 0 JBADRO CN1C[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)N(C(=O)OC(C)(C)C)CC1=O ZINC001444257248 1070804785 /nfs/dbraw/zinc/80/47/85/1070804785.db2.gz YZKJEHIHTJWOIQ-HNNXBMFYSA-N 1 0 451.528 -0.423 20 0 JBADRO CN1C[C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)N(C(=O)OC(C)(C)C)CC1=O ZINC001444257251 1070804727 /nfs/dbraw/zinc/80/47/27/1070804727.db2.gz YZKJEHIHTJWOIQ-OAHLLOKOSA-N 1 0 451.528 -0.423 20 0 JBADRO O=C(CN1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001444638813 1070806770 /nfs/dbraw/zinc/80/67/70/1070806770.db2.gz MATMYRGZJHUFKD-GOSISDBHSA-N 1 0 456.609 -0.531 20 0 JBADRO O=C(CN1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001444638824 1070806042 /nfs/dbraw/zinc/80/60/42/1070806042.db2.gz MATMYRGZJHUFKD-SFHVURJKSA-N 1 0 456.609 -0.531 20 0 JBADRO CC(C)[NH+]1CCN(CCCC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001444639983 1070806277 /nfs/dbraw/zinc/80/62/77/1070806277.db2.gz NKUWOBRAQQTVGE-IBGZPJMESA-N 1 0 457.641 -0.760 20 0 JBADRO CC(C)[NH+]1CCN(CCCC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001444639984 1070806612 /nfs/dbraw/zinc/80/66/12/1070806612.db2.gz NKUWOBRAQQTVGE-LJQANCHMSA-N 1 0 457.641 -0.760 20 0 JBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCC2(O)CC[NH+](C)CC2)c1OC ZINC001444756278 1070808783 /nfs/dbraw/zinc/80/87/83/1070808783.db2.gz UNELHBMNONEVLH-UHFFFAOYSA-N 1 0 457.549 -0.089 20 0 JBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 ZINC001447521464 1070814188 /nfs/dbraw/zinc/81/41/88/1070814188.db2.gz UQOWZURQIUTIQZ-UHFFFAOYSA-N 1 0 453.546 -0.037 20 0 JBADRO Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@@H]4CC(=O)N(CC[NH+](C)C)C4)CC3)C2=O)n(C)n1 ZINC001447635869 1070814399 /nfs/dbraw/zinc/81/43/99/1070814399.db2.gz RRMKAFPDZLYQBE-MOPGFXCFSA-N 1 0 459.595 -0.222 20 0 JBADRO 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JBADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001501802423 1068327195 /nfs/dbraw/zinc/32/71/95/1068327195.db2.gz RHJJDYIZGBWUSU-DLBZAZTESA-N 1 0 486.643 -0.197 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001501802424 1068327224 /nfs/dbraw/zinc/32/72/24/1068327224.db2.gz RHJJDYIZGBWUSU-IAGOWNOFSA-N 1 0 486.643 -0.197 20 0 JBADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001501802425 1068326831 /nfs/dbraw/zinc/32/68/31/1068326831.db2.gz RHJJDYIZGBWUSU-IRXDYDNUSA-N 1 0 486.643 -0.197 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1 ZINC001501802426 1068327044 /nfs/dbraw/zinc/32/70/44/1068327044.db2.gz RHJJDYIZGBWUSU-SJORKVTESA-N 1 0 486.643 -0.197 20 0 JBADRO CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001501898916 1068327271 /nfs/dbraw/zinc/32/72/71/1068327271.db2.gz FDQQEFBLUIGPDD-UHFFFAOYSA-N 1 0 462.599 -0.017 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC1 ZINC001501899010 1068326852 /nfs/dbraw/zinc/32/68/52/1068326852.db2.gz GWBYNYKQVLPTOE-UHFFFAOYSA-N 1 0 484.627 -0.946 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001501899524 1068327093 /nfs/dbraw/zinc/32/70/93/1068327093.db2.gz OOEDLTOOTISNNZ-GOSISDBHSA-N 1 0 495.650 -0.061 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001501899525 1068327369 /nfs/dbraw/zinc/32/73/69/1068327369.db2.gz OOEDLTOOTISNNZ-SFHVURJKSA-N 1 0 495.650 -0.061 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COCCO2)CC1 ZINC001501901029 1068327007 /nfs/dbraw/zinc/32/70/07/1068327007.db2.gz BAGTZILEPQGNIK-IRXDYDNUSA-N 1 0 487.627 -0.706 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2COCCO2)CC1 ZINC001501901030 1068326898 /nfs/dbraw/zinc/32/68/98/1068326898.db2.gz BAGTZILEPQGNIK-SJORKVTESA-N 1 0 487.627 -0.706 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)COC2)CC1 ZINC001501901222 1068327336 /nfs/dbraw/zinc/32/73/36/1068327336.db2.gz JDMDHICWJVOUOO-INIZCTEOSA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)COC2)CC1 ZINC001501901223 1068327056 /nfs/dbraw/zinc/32/70/56/1068327056.db2.gz JDMDHICWJVOUOO-MRXNPFEDSA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)NC)CC1 ZINC001501903741 1068326932 /nfs/dbraw/zinc/32/69/32/1068326932.db2.gz HRBAWCLKGPGVKI-UHFFFAOYSA-N 1 0 464.596 -0.120 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCOCC2)CC1 ZINC001501903817 1068327313 /nfs/dbraw/zinc/32/73/13/1068327313.db2.gz KADVIZJEOTUVMO-UHFFFAOYSA-N 1 0 487.609 -0.082 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC2CC2)CC1 ZINC001501903942 1068327164 /nfs/dbraw/zinc/32/71/64/1068327164.db2.gz OMORZGKDEZUARZ-KRWDZBQOSA-N 1 0 460.583 -0.254 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC2CC2)CC1 ZINC001501903943 1068326974 /nfs/dbraw/zinc/32/69/74/1068326974.db2.gz OMORZGKDEZUARZ-QGZVFWFLSA-N 1 0 460.583 -0.254 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001501904053 1068327767 /nfs/dbraw/zinc/32/77/67/1068327767.db2.gz SMRJMYWIFUCQMU-FQEVSTJZSA-N 1 0 454.597 -0.305 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001501904054 1068327724 /nfs/dbraw/zinc/32/77/24/1068327724.db2.gz SMRJMYWIFUCQMU-HXUWFJFHSA-N 1 0 454.597 -0.305 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001501906780 1068327602 /nfs/dbraw/zinc/32/76/02/1068327602.db2.gz NWKAAXWSJYPLDN-KRWDZBQOSA-N 1 0 473.582 -0.075 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001501906782 1068328016 /nfs/dbraw/zinc/32/80/16/1068328016.db2.gz NWKAAXWSJYPLDN-QGZVFWFLSA-N 1 0 473.582 -0.075 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001501906829 1068327533 /nfs/dbraw/zinc/32/75/33/1068327533.db2.gz OVNSRLFQAKMRAB-NRFANRHFSA-N 1 0 490.653 -0.064 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001501906833 1068327654 /nfs/dbraw/zinc/32/76/54/1068327654.db2.gz OVNSRLFQAKMRAB-OAQYLSRUSA-N 1 0 490.653 -0.064 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001501906850 1068327870 /nfs/dbraw/zinc/32/78/70/1068327870.db2.gz PCTMYYLWLCEBEN-QZTJIDSGSA-N 1 0 484.623 -0.414 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 ZINC001501906851 1068327976 /nfs/dbraw/zinc/32/79/76/1068327976.db2.gz PCTMYYLWLCEBEN-ZWKOTPCHSA-N 1 0 484.623 -0.414 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCS(C)(=O)=O)CC1 ZINC001501910673 1068327801 /nfs/dbraw/zinc/32/78/01/1068327801.db2.gz XLUQBERINSXUHG-UHFFFAOYSA-N 1 0 469.612 -0.565 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001501910739 1068327904 /nfs/dbraw/zinc/32/79/04/1068327904.db2.gz ZAHKSIOQMJDQNW-GOSISDBHSA-N 1 0 495.650 -0.174 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001501910740 1068328072 /nfs/dbraw/zinc/32/80/72/1068328072.db2.gz ZAHKSIOQMJDQNW-SFHVURJKSA-N 1 0 495.650 -0.174 20 0 JBADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C1 ZINC001501926654 1068327701 /nfs/dbraw/zinc/32/77/01/1068327701.db2.gz XYMXQWLZHWQQMK-DLBZAZTESA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C1 ZINC001501926655 1068328053 /nfs/dbraw/zinc/32/80/53/1068328053.db2.gz XYMXQWLZHWQQMK-IAGOWNOFSA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C1 ZINC001501926656 1068327941 /nfs/dbraw/zinc/32/79/41/1068327941.db2.gz XYMXQWLZHWQQMK-IRXDYDNUSA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C1 ZINC001501926657 1068327583 /nfs/dbraw/zinc/32/75/83/1068327583.db2.gz XYMXQWLZHWQQMK-SJORKVTESA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C1 ZINC001501935501 1068327635 /nfs/dbraw/zinc/32/76/35/1068327635.db2.gz VTJZJPXDEQAVCD-DLBZAZTESA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C1 ZINC001501935502 1068327833 /nfs/dbraw/zinc/32/78/33/1068327833.db2.gz VTJZJPXDEQAVCD-IAGOWNOFSA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C1 ZINC001501935503 1068327957 /nfs/dbraw/zinc/32/79/57/1068327957.db2.gz VTJZJPXDEQAVCD-IRXDYDNUSA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)C1 ZINC001501935504 1068328111 /nfs/dbraw/zinc/32/81/11/1068328111.db2.gz VTJZJPXDEQAVCD-SJORKVTESA-N 1 0 471.628 -0.085 20 0 JBADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001501951627 1068327851 /nfs/dbraw/zinc/32/78/51/1068327851.db2.gz CHSOSWLSHBIYEL-UHFFFAOYSA-N 1 0 487.609 -0.082 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001501952503 1068328453 /nfs/dbraw/zinc/32/84/53/1068328453.db2.gz QYCUSRGSWXNQDO-GOSISDBHSA-N 1 0 490.609 -0.532 20 0 JBADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001501952505 1068328640 /nfs/dbraw/zinc/32/86/40/1068328640.db2.gz QYCUSRGSWXNQDO-SFHVURJKSA-N 1 0 490.609 -0.532 20 0 JBADRO CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001501954778 1068328584 /nfs/dbraw/zinc/32/85/84/1068328584.db2.gz JENBPWVCNAQOQD-INIZCTEOSA-N 1 0 457.601 -0.379 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001501954779 1068328394 /nfs/dbraw/zinc/32/83/94/1068328394.db2.gz JENBPWVCNAQOQD-MRXNPFEDSA-N 1 0 457.601 -0.379 20 0 JBADRO CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001501956050 1068328289 /nfs/dbraw/zinc/32/82/89/1068328289.db2.gz XLHAKGNVNFWQEZ-INIZCTEOSA-N 1 0 462.642 -0.088 20 0 JBADRO CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001501956051 1068328503 /nfs/dbraw/zinc/32/85/03/1068328503.db2.gz XLHAKGNVNFWQEZ-MRXNPFEDSA-N 1 0 462.642 -0.088 20 0 JBADRO CC[NH+](CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001501967867 1068328338 /nfs/dbraw/zinc/32/83/38/1068328338.db2.gz KKLYACFFQAPKKK-DLBZAZTESA-N 1 0 469.612 -0.248 20 0 JBADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001501967868 1068328470 /nfs/dbraw/zinc/32/84/70/1068328470.db2.gz KKLYACFFQAPKKK-IAGOWNOFSA-N 1 0 469.612 -0.248 20 0 JBADRO CC[NH+](CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001501967869 1068328324 /nfs/dbraw/zinc/32/83/24/1068328324.db2.gz KKLYACFFQAPKKK-IRXDYDNUSA-N 1 0 469.612 -0.248 20 0 JBADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001501967870 1068328305 /nfs/dbraw/zinc/32/83/05/1068328305.db2.gz KKLYACFFQAPKKK-SJORKVTESA-N 1 0 469.612 -0.248 20 0 JBADRO CC[NH+](CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001501968892 1068328221 /nfs/dbraw/zinc/32/82/21/1068328221.db2.gz XSDMCBSRSBHONG-KRWDZBQOSA-N 1 0 459.555 -0.816 20 0 JBADRO CC[NH+](CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501968893 1068328487 /nfs/dbraw/zinc/32/84/87/1068328487.db2.gz XSDMCBSRSBHONG-QGZVFWFLSA-N 1 0 459.555 -0.816 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001501971411 1068328435 /nfs/dbraw/zinc/32/84/35/1068328435.db2.gz HOUKRXLEJKUHAB-CABCVRRESA-N 1 0 465.646 -0.300 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001501971414 1068328574 /nfs/dbraw/zinc/32/85/74/1068328574.db2.gz HOUKRXLEJKUHAB-HUUCEWRRSA-N 1 0 465.646 -0.300 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001501983214 1068328357 /nfs/dbraw/zinc/32/83/57/1068328357.db2.gz ZDTARKZYWCECBV-BRWVUGGUSA-N 1 0 492.668 -0.035 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001501983215 1068328604 /nfs/dbraw/zinc/32/86/04/1068328604.db2.gz ZDTARKZYWCECBV-IKGGRYGDSA-N 1 0 492.668 -0.035 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001501983216 1068328519 /nfs/dbraw/zinc/32/85/19/1068328519.db2.gz ZDTARKZYWCECBV-IXDOHACOSA-N 1 0 492.668 -0.035 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001501983217 1068328244 /nfs/dbraw/zinc/32/82/44/1068328244.db2.gz ZDTARKZYWCECBV-ZACQAIPSSA-N 1 0 492.668 -0.035 20 0 JBADRO CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)NC)CC1)C(C)C ZINC001502199185 1068330472 /nfs/dbraw/zinc/33/04/72/1068330472.db2.gz GADSDVXCEDHZNY-KRWDZBQOSA-N 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0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001502313149 1068338731 /nfs/dbraw/zinc/33/87/31/1068338731.db2.gz YOSGVDDEVUCFPU-INIZCTEOSA-N 1 0 451.601 -0.254 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001502313150 1068338631 /nfs/dbraw/zinc/33/86/31/1068338631.db2.gz YOSGVDDEVUCFPU-MRXNPFEDSA-N 1 0 451.601 -0.254 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)CC1 ZINC001502313271 1068338889 /nfs/dbraw/zinc/33/88/89/1068338889.db2.gz BFXMKJKNSJQGSM-MSOLQXFVSA-N 1 0 471.628 -0.526 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)CC1 ZINC001502313272 1068338786 /nfs/dbraw/zinc/33/87/86/1068338786.db2.gz BFXMKJKNSJQGSM-QZTJIDSGSA-N 1 0 471.628 -0.526 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOCC2)CC1 ZINC001502313273 1068338355 /nfs/dbraw/zinc/33/83/55/1068338355.db2.gz BFXMKJKNSJQGSM-ROUUACIJSA-N 1 0 471.628 -0.526 20 0 JBADRO 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0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502313547 1068338218 /nfs/dbraw/zinc/33/82/18/1068338218.db2.gz GKVVPCFJSZVDJC-DLBZAZTESA-N 1 0 476.669 -0.313 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502313548 1068338853 /nfs/dbraw/zinc/33/88/53/1068338853.db2.gz GKVVPCFJSZVDJC-IAGOWNOFSA-N 1 0 476.669 -0.313 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502313549 1068338541 /nfs/dbraw/zinc/33/85/41/1068338541.db2.gz GKVVPCFJSZVDJC-IRXDYDNUSA-N 1 0 476.669 -0.313 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502313550 1068339759 /nfs/dbraw/zinc/33/97/59/1068339759.db2.gz GKVVPCFJSZVDJC-SJORKVTESA-N 1 0 476.669 -0.313 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(=O)NC)CC1 ZINC001502314625 1068339495 /nfs/dbraw/zinc/33/94/95/1068339495.db2.gz YBFFVCHZPWGIMP-DLBZAZTESA-N 1 0 455.629 -0.222 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(=O)NC)CC1 ZINC001502314626 1068339374 /nfs/dbraw/zinc/33/93/74/1068339374.db2.gz YBFFVCHZPWGIMP-IAGOWNOFSA-N 1 0 455.629 -0.222 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(=O)NC)CC1 ZINC001502314627 1068339689 /nfs/dbraw/zinc/33/96/89/1068339689.db2.gz YBFFVCHZPWGIMP-IRXDYDNUSA-N 1 0 455.629 -0.222 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(=O)NC)CC1 ZINC001502314628 1068339462 /nfs/dbraw/zinc/33/94/62/1068339462.db2.gz YBFFVCHZPWGIMP-SJORKVTESA-N 1 0 455.629 -0.222 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502315135 1068339640 /nfs/dbraw/zinc/33/96/40/1068339640.db2.gz HXOKNHMMYNRQQV-AZUAARDMSA-N 1 0 476.626 -0.232 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502315136 1068339954 /nfs/dbraw/zinc/33/99/54/1068339954.db2.gz HXOKNHMMYNRQQV-ICSRJNTNSA-N 1 0 476.626 -0.232 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502315137 1068339539 /nfs/dbraw/zinc/33/95/39/1068339539.db2.gz HXOKNHMMYNRQQV-QUCCMNQESA-N 1 0 476.626 -0.232 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502315138 1068339901 /nfs/dbraw/zinc/33/99/01/1068339901.db2.gz HXOKNHMMYNRQQV-UYAOXDASSA-N 1 0 476.626 -0.232 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001502319859 1068339797 /nfs/dbraw/zinc/33/97/97/1068339797.db2.gz WNJLDMHKUDMKJH-HRCADAONSA-N 1 0 477.657 -0.300 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001502319860 1068339195 /nfs/dbraw/zinc/33/91/95/1068339195.db2.gz WNJLDMHKUDMKJH-JYJNAYRXSA-N 1 0 477.657 -0.300 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001502319861 1068339844 /nfs/dbraw/zinc/33/98/44/1068339844.db2.gz WNJLDMHKUDMKJH-OWCLPIDISA-N 1 0 477.657 -0.300 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001502319862 1068340117 /nfs/dbraw/zinc/34/01/17/1068340117.db2.gz WNJLDMHKUDMKJH-PMPSAXMXSA-N 1 0 477.657 -0.300 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001502327651 1068340596 /nfs/dbraw/zinc/34/05/96/1068340596.db2.gz RIHPHOYFWCMUHD-KBPBESRZSA-N 1 0 497.544 -0.180 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001502327652 1068340326 /nfs/dbraw/zinc/34/03/26/1068340326.db2.gz RIHPHOYFWCMUHD-KGLIPLIRSA-N 1 0 497.544 -0.180 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001502327653 1068340912 /nfs/dbraw/zinc/34/09/12/1068340912.db2.gz RIHPHOYFWCMUHD-UONOGXRCSA-N 1 0 497.544 -0.180 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001502327654 1068340853 /nfs/dbraw/zinc/34/08/53/1068340853.db2.gz RIHPHOYFWCMUHD-ZIAGYGMSSA-N 1 0 497.544 -0.180 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502332038 1068341178 /nfs/dbraw/zinc/34/11/78/1068341178.db2.gz BMZUURXHXBSGNC-KRWDZBQOSA-N 1 0 491.622 -0.309 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502332039 1068340805 /nfs/dbraw/zinc/34/08/05/1068340805.db2.gz BMZUURXHXBSGNC-QGZVFWFLSA-N 1 0 491.622 -0.309 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(O)CCOCC3)C2)CC1 ZINC001502333296 1068340762 /nfs/dbraw/zinc/34/07/62/1068340762.db2.gz FRGVNIWSNKORIB-MSOLQXFVSA-N 1 0 485.655 -0.354 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(O)CCOCC3)C2)CC1 ZINC001502333297 1068341232 /nfs/dbraw/zinc/34/12/32/1068341232.db2.gz FRGVNIWSNKORIB-QZTJIDSGSA-N 1 0 485.655 -0.354 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(O)CCOCC3)C2)CC1 ZINC001502333298 1068340376 /nfs/dbraw/zinc/34/03/76/1068340376.db2.gz FRGVNIWSNKORIB-ROUUACIJSA-N 1 0 485.655 -0.354 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(O)CCOCC3)C2)CC1 ZINC001502333299 1068340965 /nfs/dbraw/zinc/34/09/65/1068340965.db2.gz FRGVNIWSNKORIB-ZWKOTPCHSA-N 1 0 485.655 -0.354 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502333470 1068340430 /nfs/dbraw/zinc/34/04/30/1068340430.db2.gz JPTIUSBLNXMETO-MSOLQXFVSA-N 1 0 484.671 -0.027 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502333471 1068341017 /nfs/dbraw/zinc/34/10/17/1068341017.db2.gz JPTIUSBLNXMETO-QZTJIDSGSA-N 1 0 484.671 -0.027 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502333472 1068341290 /nfs/dbraw/zinc/34/12/90/1068341290.db2.gz JPTIUSBLNXMETO-ROUUACIJSA-N 1 0 484.671 -0.027 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCC(=O)N(C)C)C2)CC1 ZINC001502333473 1068340664 /nfs/dbraw/zinc/34/06/64/1068340664.db2.gz JPTIUSBLNXMETO-ZWKOTPCHSA-N 1 0 484.671 -0.027 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H](C)N3CCOCC3)C2)CC1 ZINC001502333796 1068341127 /nfs/dbraw/zinc/34/11/27/1068341127.db2.gz RIXDCDNSCBELJG-HSALFYBXSA-N 1 0 498.698 -0.175 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H](C)N3CCOCC3)C2)CC1 ZINC001502333797 1068342150 /nfs/dbraw/zinc/34/21/50/1068342150.db2.gz RIXDCDNSCBELJG-SLFFLAALSA-N 1 0 498.698 -0.175 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H](C)N3CCOCC3)C2)CC1 ZINC001502333798 1068341542 /nfs/dbraw/zinc/34/15/42/1068341542.db2.gz RIXDCDNSCBELJG-VAMGGRTRSA-N 1 0 498.698 -0.175 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H](C)N3CCOCC3)C2)CC1 ZINC001502333799 1068341795 /nfs/dbraw/zinc/34/17/95/1068341795.db2.gz RIXDCDNSCBELJG-XUVXKRRUSA-N 1 0 498.698 -0.175 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCN3CCOCC3)C2)CC1 ZINC001502333885 1068341861 /nfs/dbraw/zinc/34/18/61/1068341861.db2.gz TUAXDYYTRXHFRU-PMACEKPBSA-N 1 0 498.698 -0.173 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCN3CCOCC3)C2)CC1 ZINC001502333886 1068342064 /nfs/dbraw/zinc/34/20/64/1068342064.db2.gz TUAXDYYTRXHFRU-UXHICEINSA-N 1 0 498.698 -0.173 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCN3CCOCC3)C2)CC1 ZINC001502333887 1068341631 /nfs/dbraw/zinc/34/16/31/1068341631.db2.gz TUAXDYYTRXHFRU-VQTJNVASSA-N 1 0 498.698 -0.173 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCN3CCOCC3)C2)CC1 ZINC001502333888 1068341921 /nfs/dbraw/zinc/34/19/21/1068341921.db2.gz TUAXDYYTRXHFRU-WOJBJXKFSA-N 1 0 498.698 -0.173 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cnccn4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001502334408 1068341670 /nfs/dbraw/zinc/34/16/70/1068341670.db2.gz HQDDZYXXZMJMRT-KRWDZBQOSA-N 1 0 463.612 -0.109 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001502334409 1068342012 /nfs/dbraw/zinc/34/20/12/1068342012.db2.gz HQDDZYXXZMJMRT-QGZVFWFLSA-N 1 0 463.612 -0.109 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(=O)N(C)C)C2)CC1 ZINC001502335109 1068341447 /nfs/dbraw/zinc/34/14/47/1068341447.db2.gz AMCPCGLYGXRKQD-DLBZAZTESA-N 1 0 453.613 -0.515 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(=O)N(C)C)C2)CC1 ZINC001502335110 1068341407 /nfs/dbraw/zinc/34/14/07/1068341407.db2.gz AMCPCGLYGXRKQD-IAGOWNOFSA-N 1 0 453.613 -0.515 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(=O)N(C)C)C2)CC1 ZINC001502335111 1068341977 /nfs/dbraw/zinc/34/19/77/1068341977.db2.gz AMCPCGLYGXRKQD-IRXDYDNUSA-N 1 0 453.613 -0.515 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(=O)N(C)C)C2)CC1 ZINC001502335112 1068342245 /nfs/dbraw/zinc/34/22/45/1068342245.db2.gz AMCPCGLYGXRKQD-SJORKVTESA-N 1 0 453.613 -0.515 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCCOC)C2)CC1 ZINC001502335206 1068341748 /nfs/dbraw/zinc/34/17/48/1068341748.db2.gz COPUDBZZZSZYPS-MOPGFXCFSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCCOC)C2)CC1 ZINC001502335207 1068341493 /nfs/dbraw/zinc/34/14/93/1068341493.db2.gz COPUDBZZZSZYPS-OALUTQOASA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCCOC)C2)CC1 ZINC001502335208 1068342197 /nfs/dbraw/zinc/34/21/97/1068342197.db2.gz COPUDBZZZSZYPS-RBUKOAKNSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCCOC)C2)CC1 ZINC001502335209 1068341584 /nfs/dbraw/zinc/34/15/84/1068341584.db2.gz COPUDBZZZSZYPS-RTBURBONSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001502336057 1068342120 /nfs/dbraw/zinc/34/21/20/1068342120.db2.gz UYFHJQIPBHHMEB-GOSISDBHSA-N 1 0 482.655 -0.492 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001502336059 1068341709 /nfs/dbraw/zinc/34/17/09/1068341709.db2.gz UYFHJQIPBHHMEB-SFHVURJKSA-N 1 0 482.655 -0.492 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001502337710 1068343223 /nfs/dbraw/zinc/34/32/23/1068343223.db2.gz MUELMCIEBZZUBL-FHWLQOOXSA-N 1 0 496.682 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001502337711 1068342757 /nfs/dbraw/zinc/34/27/57/1068342757.db2.gz MUELMCIEBZZUBL-GBESFXJTSA-N 1 0 496.682 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001502337712 1068342579 /nfs/dbraw/zinc/34/25/79/1068342579.db2.gz MUELMCIEBZZUBL-IPMKNSEASA-N 1 0 496.682 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001502337713 1068342874 /nfs/dbraw/zinc/34/28/74/1068342874.db2.gz MUELMCIEBZZUBL-OTWHNJEPSA-N 1 0 496.682 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502338732 1068342513 /nfs/dbraw/zinc/34/25/13/1068342513.db2.gz ZIFPQFILLWUBCC-FQEVSTJZSA-N 1 0 491.685 -0.100 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502338735 1068342456 /nfs/dbraw/zinc/34/24/56/1068342456.db2.gz ZIFPQFILLWUBCC-HXUWFJFHSA-N 1 0 491.685 -0.100 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502342677 1068343169 /nfs/dbraw/zinc/34/31/69/1068343169.db2.gz BYWVSHMTMLIQAE-MSOLQXFVSA-N 1 0 461.615 -0.036 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502342678 1068342389 /nfs/dbraw/zinc/34/23/89/1068342389.db2.gz BYWVSHMTMLIQAE-QZTJIDSGSA-N 1 0 461.615 -0.036 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502342679 1068343108 /nfs/dbraw/zinc/34/31/08/1068343108.db2.gz BYWVSHMTMLIQAE-ROUUACIJSA-N 1 0 461.615 -0.036 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502342680 1068343323 /nfs/dbraw/zinc/34/33/23/1068343323.db2.gz BYWVSHMTMLIQAE-ZWKOTPCHSA-N 1 0 461.615 -0.036 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502343483 1068343399 /nfs/dbraw/zinc/34/33/99/1068343399.db2.gz PIWGHOMSLGNXKB-FHWLQOOXSA-N 1 0 497.666 -0.595 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502343484 1068343290 /nfs/dbraw/zinc/34/32/90/1068343290.db2.gz PIWGHOMSLGNXKB-GBESFXJTSA-N 1 0 497.666 -0.595 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502343485 1068342809 /nfs/dbraw/zinc/34/28/09/1068342809.db2.gz PIWGHOMSLGNXKB-IPMKNSEASA-N 1 0 497.666 -0.595 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502343486 1068342690 /nfs/dbraw/zinc/34/26/90/1068342690.db2.gz PIWGHOMSLGNXKB-OTWHNJEPSA-N 1 0 497.666 -0.595 20 0 JBADRO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502345385 1068342942 /nfs/dbraw/zinc/34/29/42/1068342942.db2.gz ARJFMVMXWAWVJT-GOSISDBHSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502345387 1068342840 /nfs/dbraw/zinc/34/28/40/1068342840.db2.gz ARJFMVMXWAWVJT-SFHVURJKSA-N 1 0 467.640 -0.091 20 0 JBADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502348748 1068344462 /nfs/dbraw/zinc/34/44/62/1068344462.db2.gz BNZJXSHCMPCBSH-UHFFFAOYSA-N 1 0 484.671 -0.084 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502349199 1068343837 /nfs/dbraw/zinc/34/38/37/1068343837.db2.gz PPBYSPMZOOJBOK-MSOLQXFVSA-N 1 0 484.671 -0.027 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502349200 1068343555 /nfs/dbraw/zinc/34/35/55/1068343555.db2.gz PPBYSPMZOOJBOK-QZTJIDSGSA-N 1 0 484.671 -0.027 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502349201 1068344236 /nfs/dbraw/zinc/34/42/36/1068344236.db2.gz PPBYSPMZOOJBOK-ROUUACIJSA-N 1 0 484.671 -0.027 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502349202 1068344488 /nfs/dbraw/zinc/34/44/88/1068344488.db2.gz PPBYSPMZOOJBOK-ZWKOTPCHSA-N 1 0 484.671 -0.027 20 0 JBADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502352654 1068344070 /nfs/dbraw/zinc/34/40/70/1068344070.db2.gz KFPQPJSCHYBGEF-FQEVSTJZSA-N 1 0 476.626 -0.117 20 0 JBADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502352655 1068343654 /nfs/dbraw/zinc/34/36/54/1068343654.db2.gz KFPQPJSCHYBGEF-HXUWFJFHSA-N 1 0 476.626 -0.117 20 0 JBADRO CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCN3CC[NH+](CC)CC3)CCN2C1=O ZINC001502352726 1068344019 /nfs/dbraw/zinc/34/40/19/1068344019.db2.gz MDWBOBKTTHKJEW-GOSISDBHSA-N 1 0 489.625 -0.083 20 0 JBADRO CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCN3CC[NH+](CC)CC3)CCN2C1=O ZINC001502352727 1068344325 /nfs/dbraw/zinc/34/43/25/1068344325.db2.gz MDWBOBKTTHKJEW-SFHVURJKSA-N 1 0 489.625 -0.083 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001502354299 1068344376 /nfs/dbraw/zinc/34/43/76/1068344376.db2.gz GKSNVXXPPPGYAR-MSOLQXFVSA-N 1 0 497.670 -0.528 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001502354300 1068344420 /nfs/dbraw/zinc/34/44/20/1068344420.db2.gz GKSNVXXPPPGYAR-QZTJIDSGSA-N 1 0 497.670 -0.528 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001502354301 1068343912 /nfs/dbraw/zinc/34/39/12/1068343912.db2.gz GKSNVXXPPPGYAR-ROUUACIJSA-N 1 0 497.670 -0.528 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001502354302 1068343611 /nfs/dbraw/zinc/34/36/11/1068343611.db2.gz GKSNVXXPPPGYAR-ZWKOTPCHSA-N 1 0 497.670 -0.528 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001502354461 1068344136 /nfs/dbraw/zinc/34/41/36/1068344136.db2.gz JGEWWGNKXLFWIP-KRWDZBQOSA-N 1 0 484.671 -0.122 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001502354464 1068343869 /nfs/dbraw/zinc/34/38/69/1068343869.db2.gz JGEWWGNKXLFWIP-QGZVFWFLSA-N 1 0 484.671 -0.122 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502354565 1068344276 /nfs/dbraw/zinc/34/42/76/1068344276.db2.gz KMTRHIMCUIBPPB-YESZJQIVSA-N 1 0 457.601 -0.523 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001502354567 1068343720 /nfs/dbraw/zinc/34/37/20/1068343720.db2.gz KMTRHIMCUIBPPB-ZACQAIPSSA-N 1 0 457.601 -0.523 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502355997 1068344183 /nfs/dbraw/zinc/34/41/83/1068344183.db2.gz GCXXDIQYKNHAGY-KRWDZBQOSA-N 1 0 468.628 -0.662 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502355998 1068343957 /nfs/dbraw/zinc/34/39/57/1068343957.db2.gz GCXXDIQYKNHAGY-QGZVFWFLSA-N 1 0 468.628 -0.662 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502357143 1068343778 /nfs/dbraw/zinc/34/37/78/1068343778.db2.gz XNWPYLNDNKAZHQ-FQEVSTJZSA-N 1 0 489.669 -0.097 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502357146 1068345310 /nfs/dbraw/zinc/34/53/10/1068345310.db2.gz XNWPYLNDNKAZHQ-HXUWFJFHSA-N 1 0 489.669 -0.097 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502357560 1068344830 /nfs/dbraw/zinc/34/48/30/1068344830.db2.gz ATDQSZHOYSPICE-KRWDZBQOSA-N 1 0 474.653 -0.557 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502357561 1068345112 /nfs/dbraw/zinc/34/51/12/1068345112.db2.gz ATDQSZHOYSPICE-QGZVFWFLSA-N 1 0 474.653 -0.557 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502358617 1068345266 /nfs/dbraw/zinc/34/52/66/1068345266.db2.gz OGOWYXXVKIBHNM-ROUUACIJSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502358619 1068345208 /nfs/dbraw/zinc/34/52/08/1068345208.db2.gz OGOWYXXVKIBHNM-ZWKOTPCHSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502358989 1068344677 /nfs/dbraw/zinc/34/46/77/1068344677.db2.gz SQPWTUUYFCYUTQ-MSOLQXFVSA-N 1 0 488.680 -0.169 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502358992 1068345238 /nfs/dbraw/zinc/34/52/38/1068345238.db2.gz SQPWTUUYFCYUTQ-QZTJIDSGSA-N 1 0 488.680 -0.169 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502358993 1068345076 /nfs/dbraw/zinc/34/50/76/1068345076.db2.gz SQPWTUUYFCYUTQ-ROUUACIJSA-N 1 0 488.680 -0.169 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502358994 1068344900 /nfs/dbraw/zinc/34/49/00/1068344900.db2.gz SQPWTUUYFCYUTQ-ZWKOTPCHSA-N 1 0 488.680 -0.169 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001502359263 1068345008 /nfs/dbraw/zinc/34/50/08/1068345008.db2.gz ZSYJJGLNQWQPSD-MOPGFXCFSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001502359264 1068344935 /nfs/dbraw/zinc/34/49/35/1068344935.db2.gz ZSYJJGLNQWQPSD-RTBURBONSA-N 1 0 485.655 -0.136 20 0 JBADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502360606 1068344730 /nfs/dbraw/zinc/34/47/30/1068344730.db2.gz OVNCVGMGEMVBFT-FQEVSTJZSA-N 1 0 476.626 -0.231 20 0 JBADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502360607 1068345144 /nfs/dbraw/zinc/34/51/44/1068345144.db2.gz OVNCVGMGEMVBFT-HXUWFJFHSA-N 1 0 476.626 -0.231 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001502421285 1068346136 /nfs/dbraw/zinc/34/61/36/1068346136.db2.gz UAZBXGXRIUFQHQ-UHFFFAOYSA-N 1 0 464.615 -0.479 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001502421300 1068346315 /nfs/dbraw/zinc/34/63/15/1068346315.db2.gz UMIXMRYHDZKXBL-UHFFFAOYSA-N 1 0 477.658 -0.300 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)CC1 ZINC001502422836 1068346718 /nfs/dbraw/zinc/34/67/18/1068346718.db2.gz MREAPBYCMHXIQX-INIZCTEOSA-N 1 0 470.644 -0.369 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)CC1 ZINC001502422837 1068346822 /nfs/dbraw/zinc/34/68/22/1068346822.db2.gz MREAPBYCMHXIQX-MRXNPFEDSA-N 1 0 470.644 -0.369 20 0 JBADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001502429615 1068347279 /nfs/dbraw/zinc/34/72/79/1068347279.db2.gz BXPWGNMVBGHVJR-MOPGFXCFSA-N 1 0 476.626 -0.156 20 0 JBADRO 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482.655 -0.225 20 0 JBADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001502475389 1068351142 /nfs/dbraw/zinc/35/11/42/1068351142.db2.gz XQFYYEGQWFAKDV-CVEARBPZSA-N 1 0 469.612 -0.142 20 0 JBADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001502475390 1068351187 /nfs/dbraw/zinc/35/11/87/1068351187.db2.gz XQFYYEGQWFAKDV-HOTGVXAUSA-N 1 0 469.612 -0.142 20 0 JBADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001502475391 1068350817 /nfs/dbraw/zinc/35/08/17/1068350817.db2.gz XQFYYEGQWFAKDV-HZPDHXFCSA-N 1 0 469.612 -0.142 20 0 JBADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001502475392 1068350855 /nfs/dbraw/zinc/35/08/55/1068350855.db2.gz XQFYYEGQWFAKDV-JKSUJKDBSA-N 1 0 469.612 -0.142 20 0 JBADRO CCO[C@]1(c2nnc(N3CC[C@H](N4CC[NH+](CC)CC4)C3)n2CCNS(C)(=O)=O)CCOC1 ZINC001502681051 1068354731 /nfs/dbraw/zinc/35/47/31/1068354731.db2.gz BIIUWOCXSVALPW-GHTZIAJQSA-N 1 0 485.655 -0.304 20 0 JBADRO CCO[C@@]1(c2nnc(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)n2CCNS(C)(=O)=O)CCOC1 ZINC001502681052 1068354795 /nfs/dbraw/zinc/35/47/95/1068354795.db2.gz BIIUWOCXSVALPW-NQIIRXRSSA-N 1 0 485.655 -0.304 20 0 JBADRO CCO[C@@]1(c2nnc(N3CC[C@H](N4CC[NH+](CC)CC4)C3)n2CCNS(C)(=O)=O)CCOC1 ZINC001502681053 1068354852 /nfs/dbraw/zinc/35/48/52/1068354852.db2.gz BIIUWOCXSVALPW-RXVVDRJESA-N 1 0 485.655 -0.304 20 0 JBADRO CCO[C@]1(c2nnc(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)n2CCNS(C)(=O)=O)CCOC1 ZINC001502681054 1068354870 /nfs/dbraw/zinc/35/48/70/1068354870.db2.gz BIIUWOCXSVALPW-WIYYLYMNSA-N 1 0 485.655 -0.304 20 0 JBADRO CCO[C@]1(c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502707499 1068355889 /nfs/dbraw/zinc/35/58/89/1068355889.db2.gz CQSRNEDAWIEEAA-DHIUTWEWSA-N 1 0 493.609 -0.830 20 0 JBADRO CCO[C@@]1(c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502707500 1068356877 /nfs/dbraw/zinc/35/68/77/1068356877.db2.gz CQSRNEDAWIEEAA-GOTSBHOMSA-N 1 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/nfs/dbraw/zinc/37/93/92/1068379392.db2.gz GCKGBGPWFMRPSR-IAGOWNOFSA-N 1 0 469.612 -0.536 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503284220 1068379720 /nfs/dbraw/zinc/37/97/20/1068379720.db2.gz GCKGBGPWFMRPSR-IRXDYDNUSA-N 1 0 469.612 -0.536 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503284221 1068379456 /nfs/dbraw/zinc/37/94/56/1068379456.db2.gz GCKGBGPWFMRPSR-SJORKVTESA-N 1 0 469.612 -0.536 20 0 JBADRO CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503284389 1068379608 /nfs/dbraw/zinc/37/96/08/1068379608.db2.gz RASSRCNXDCZJBV-IBGZPJMESA-N 1 0 490.634 -0.054 20 0 JBADRO CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503284390 1068379567 /nfs/dbraw/zinc/37/95/67/1068379567.db2.gz RASSRCNXDCZJBV-LJQANCHMSA-N 1 0 490.634 -0.054 20 0 JBADRO CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503297571 1068382543 /nfs/dbraw/zinc/38/25/43/1068382543.db2.gz OOROOYVWTSXKGG-AAFFQKGLSA-N 1 0 486.664 -0.308 20 0 JBADRO CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503297572 1068382401 /nfs/dbraw/zinc/38/24/01/1068382401.db2.gz OOROOYVWTSXKGG-JONPEHNUSA-N 1 0 486.664 -0.308 20 0 JBADRO CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503297573 1068382252 /nfs/dbraw/zinc/38/22/52/1068382252.db2.gz OOROOYVWTSXKGG-KEGLGMRESA-N 1 0 486.664 -0.308 20 0 JBADRO CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503297574 1068382148 /nfs/dbraw/zinc/38/21/48/1068382148.db2.gz OOROOYVWTSXKGG-VTGBYBNISA-N 1 0 486.664 -0.308 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CN2CCCC2=O)nnc1N1CCNC(=O)CC1 ZINC001503358110 1068383189 /nfs/dbraw/zinc/38/31/89/1068383189.db2.gz QHPOKHSUMIAOAF-KRWDZBQOSA-N 1 0 460.583 -0.331 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CN2CCCC2=O)nnc1N1CCNC(=O)CC1 ZINC001503358131 1068383076 /nfs/dbraw/zinc/38/30/76/1068383076.db2.gz QHPOKHSUMIAOAF-QGZVFWFLSA-N 1 0 460.583 -0.331 20 0 JBADRO CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503363304 1068384008 /nfs/dbraw/zinc/38/40/08/1068384008.db2.gz XGPPIMHKYLWQKO-GOSISDBHSA-N 1 0 495.650 -0.207 20 0 JBADRO CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503363305 1068383880 /nfs/dbraw/zinc/38/38/80/1068383880.db2.gz XGPPIMHKYLWQKO-SFHVURJKSA-N 1 0 495.650 -0.207 20 0 JBADRO CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001503369231 1068385025 /nfs/dbraw/zinc/38/50/25/1068385025.db2.gz VNVQQXYEMHVQKB-DLBZAZTESA-N 1 0 469.612 -0.236 20 0 JBADRO CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001503369232 1068384826 /nfs/dbraw/zinc/38/48/26/1068384826.db2.gz VNVQQXYEMHVQKB-IAGOWNOFSA-N 1 0 469.612 -0.236 20 0 JBADRO CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001503369234 1068385167 /nfs/dbraw/zinc/38/51/67/1068385167.db2.gz VNVQQXYEMHVQKB-IRXDYDNUSA-N 1 0 469.612 -0.236 20 0 JBADRO CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001503369235 1068384901 /nfs/dbraw/zinc/38/49/01/1068384901.db2.gz VNVQQXYEMHVQKB-SJORKVTESA-N 1 0 469.612 -0.236 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503371029 1068384984 /nfs/dbraw/zinc/38/49/84/1068384984.db2.gz BODHQEUPODOAPO-HNNXBMFYSA-N 1 0 457.601 -0.380 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503371032 1068385262 /nfs/dbraw/zinc/38/52/62/1068385262.db2.gz BODHQEUPODOAPO-OAHLLOKOSA-N 1 0 457.601 -0.380 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001503371375 1068385082 /nfs/dbraw/zinc/38/50/82/1068385082.db2.gz FAMGVQWYJRNNAL-CVEARBPZSA-N 1 0 455.585 -0.626 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001503371377 1068385646 /nfs/dbraw/zinc/38/56/46/1068385646.db2.gz FAMGVQWYJRNNAL-HOTGVXAUSA-N 1 0 455.585 -0.626 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001503371379 1068385620 /nfs/dbraw/zinc/38/56/20/1068385620.db2.gz FAMGVQWYJRNNAL-HZPDHXFCSA-N 1 0 455.585 -0.626 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001503371381 1068385892 /nfs/dbraw/zinc/38/58/92/1068385892.db2.gz FAMGVQWYJRNNAL-JKSUJKDBSA-N 1 0 455.585 -0.626 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001503372110 1068385682 /nfs/dbraw/zinc/38/56/82/1068385682.db2.gz MLXFFVCILHUFGQ-DLBZAZTESA-N 1 0 469.612 -0.236 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001503372111 1068385948 /nfs/dbraw/zinc/38/59/48/1068385948.db2.gz MLXFFVCILHUFGQ-IAGOWNOFSA-N 1 0 469.612 -0.236 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001503372112 1068385832 /nfs/dbraw/zinc/38/58/32/1068385832.db2.gz MLXFFVCILHUFGQ-IRXDYDNUSA-N 1 0 469.612 -0.236 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001503372113 1068385531 /nfs/dbraw/zinc/38/55/31/1068385531.db2.gz MLXFFVCILHUFGQ-SJORKVTESA-N 1 0 469.612 -0.236 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001503372952 1068385554 /nfs/dbraw/zinc/38/55/54/1068385554.db2.gz SWGZZMRWEZMWOI-INIZCTEOSA-N 1 0 455.585 -0.769 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001503372954 1068385781 /nfs/dbraw/zinc/38/57/81/1068385781.db2.gz SWGZZMRWEZMWOI-MRXNPFEDSA-N 1 0 455.585 -0.769 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001503374585 1068386241 /nfs/dbraw/zinc/38/62/41/1068386241.db2.gz VKVHSTLHZGYOQC-UHFFFAOYSA-N 1 0 476.626 -0.165 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001503376249 1068386817 /nfs/dbraw/zinc/38/68/17/1068386817.db2.gz NKYMUWYRXWLMBI-UHFFFAOYSA-N 1 0 472.642 -0.085 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001503376896 1068387323 /nfs/dbraw/zinc/38/73/23/1068387323.db2.gz UZBQCVFBADXSGB-MOPGFXCFSA-N 1 0 476.626 -0.324 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001503376899 1068387580 /nfs/dbraw/zinc/38/75/80/1068387580.db2.gz UZBQCVFBADXSGB-OALUTQOASA-N 1 0 476.626 -0.324 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001503376901 1068387405 /nfs/dbraw/zinc/38/74/05/1068387405.db2.gz UZBQCVFBADXSGB-RBUKOAKNSA-N 1 0 476.626 -0.324 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001503376903 1068387472 /nfs/dbraw/zinc/38/74/72/1068387472.db2.gz UZBQCVFBADXSGB-RTBURBONSA-N 1 0 476.626 -0.324 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001503380982 1068388498 /nfs/dbraw/zinc/38/84/98/1068388498.db2.gz JPIZTLXJGFQABT-CVEARBPZSA-N 1 0 455.585 -0.723 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001503380987 1068388403 /nfs/dbraw/zinc/38/84/03/1068388403.db2.gz JPIZTLXJGFQABT-HOTGVXAUSA-N 1 0 455.585 -0.723 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001503380989 1068388371 /nfs/dbraw/zinc/38/83/71/1068388371.db2.gz JPIZTLXJGFQABT-HZPDHXFCSA-N 1 0 455.585 -0.723 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001503380992 1068388638 /nfs/dbraw/zinc/38/86/38/1068388638.db2.gz JPIZTLXJGFQABT-JKSUJKDBSA-N 1 0 455.585 -0.723 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001503382736 1068388655 /nfs/dbraw/zinc/38/86/55/1068388655.db2.gz PGYICEZKVBANFT-MSOLQXFVSA-N 1 0 495.581 -0.011 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001503382738 1068388555 /nfs/dbraw/zinc/38/85/55/1068388555.db2.gz PGYICEZKVBANFT-QZTJIDSGSA-N 1 0 495.581 -0.011 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001503382739 1068388296 /nfs/dbraw/zinc/38/82/96/1068388296.db2.gz PGYICEZKVBANFT-ROUUACIJSA-N 1 0 495.581 -0.011 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)c1ccc(F)cc1 ZINC001503382740 1068388464 /nfs/dbraw/zinc/38/84/64/1068388464.db2.gz PGYICEZKVBANFT-ZWKOTPCHSA-N 1 0 495.581 -0.011 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 ZINC001503384594 1068388586 /nfs/dbraw/zinc/38/85/86/1068388586.db2.gz BWGZNGOZUBJNJQ-HNNXBMFYSA-N 1 0 460.626 -0.254 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 ZINC001503384606 1068388433 /nfs/dbraw/zinc/38/84/33/1068388433.db2.gz BWGZNGOZUBJNJQ-OAHLLOKOSA-N 1 0 460.626 -0.254 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CCCC1 ZINC001503388600 1068388385 /nfs/dbraw/zinc/38/83/85/1068388385.db2.gz ZUUMTMGLODYNMI-CVEARBPZSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CCCC1 ZINC001503388612 1068388685 /nfs/dbraw/zinc/38/86/85/1068388685.db2.gz ZUUMTMGLODYNMI-HOTGVXAUSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CCCC1 ZINC001503388617 1068388327 /nfs/dbraw/zinc/38/83/27/1068388327.db2.gz ZUUMTMGLODYNMI-HZPDHXFCSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CCCC1 ZINC001503388624 1068388513 /nfs/dbraw/zinc/38/85/13/1068388513.db2.gz ZUUMTMGLODYNMI-JKSUJKDBSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC(OCC(N)=O)CC2)CCOCC1 ZINC001503389965 1068388351 /nfs/dbraw/zinc/38/83/51/1068388351.db2.gz UWJKDPUPHHRICM-UHFFFAOYSA-N 1 0 463.583 -0.018 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001503397034 1068389158 /nfs/dbraw/zinc/38/91/58/1068389158.db2.gz WPJPIVGRBXYDER-INIZCTEOSA-N 1 0 460.583 -0.256 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001503397035 1068388851 /nfs/dbraw/zinc/38/88/51/1068388851.db2.gz WPJPIVGRBXYDER-MRXNPFEDSA-N 1 0 460.583 -0.256 20 0 JBADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001503397778 1068388926 /nfs/dbraw/zinc/38/89/26/1068388926.db2.gz GEIAMRHONHXSTJ-CVEARBPZSA-N 1 0 492.668 -0.178 20 0 JBADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001503397799 1068389025 /nfs/dbraw/zinc/38/90/25/1068389025.db2.gz GEIAMRHONHXSTJ-HOTGVXAUSA-N 1 0 492.668 -0.178 20 0 JBADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001503397802 1068389089 /nfs/dbraw/zinc/38/90/89/1068389089.db2.gz GEIAMRHONHXSTJ-HZPDHXFCSA-N 1 0 492.668 -0.178 20 0 JBADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001503397806 1068389214 /nfs/dbraw/zinc/38/92/14/1068389214.db2.gz GEIAMRHONHXSTJ-JKSUJKDBSA-N 1 0 492.668 -0.178 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001503398261 1068388888 /nfs/dbraw/zinc/38/88/88/1068388888.db2.gz JMTUQYZUEUBWFT-CABCVRRESA-N 1 0 457.601 -0.490 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001503398262 1068388958 /nfs/dbraw/zinc/38/89/58/1068388958.db2.gz JMTUQYZUEUBWFT-GJZGRUSLSA-N 1 0 457.601 -0.490 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001503398263 1068389250 /nfs/dbraw/zinc/38/92/50/1068389250.db2.gz JMTUQYZUEUBWFT-HUUCEWRRSA-N 1 0 457.601 -0.490 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001503398264 1068389266 /nfs/dbraw/zinc/38/92/66/1068389266.db2.gz JMTUQYZUEUBWFT-LSDHHAIUSA-N 1 0 457.601 -0.490 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001503398291 1068388870 /nfs/dbraw/zinc/38/88/70/1068388870.db2.gz KNWOUOQBALDVRQ-HNNXBMFYSA-N 1 0 457.601 -0.475 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001503398292 1068388906 /nfs/dbraw/zinc/38/89/06/1068388906.db2.gz KNWOUOQBALDVRQ-OAHLLOKOSA-N 1 0 457.601 -0.475 20 0 JBADRO C[NH+](C)Cc1cccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)c1 ZINC001503399331 1068389071 /nfs/dbraw/zinc/38/90/71/1068389071.db2.gz KYIMLQMVRAEIKN-GOSISDBHSA-N 1 0 477.591 -0.343 20 0 JBADRO C[NH+](C)Cc1cccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)c1 ZINC001503399332 1068389238 /nfs/dbraw/zinc/38/92/38/1068389238.db2.gz KYIMLQMVRAEIKN-SFHVURJKSA-N 1 0 477.591 -0.343 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001503400169 1068389182 /nfs/dbraw/zinc/38/91/82/1068389182.db2.gz RMNKTVYEYBBANS-HRAATJIYSA-N 1 0 483.639 -0.085 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001503400171 1068388977 /nfs/dbraw/zinc/38/89/77/1068388977.db2.gz RMNKTVYEYBBANS-IERDGZPVSA-N 1 0 483.639 -0.085 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001503400173 1068389057 /nfs/dbraw/zinc/38/90/57/1068389057.db2.gz RMNKTVYEYBBANS-IIBYNOLFSA-N 1 0 483.639 -0.085 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001503400176 1068389500 /nfs/dbraw/zinc/38/95/00/1068389500.db2.gz RMNKTVYEYBBANS-KKSFZXQISA-N 1 0 483.639 -0.085 20 0 JBADRO Cn1cc(N2CCN(c3nnc(CN4CCCC4=O)n3CCOCC[NH+](C)C)CC2=O)cn1 ZINC001503402325 1068389661 /nfs/dbraw/zinc/38/96/61/1068389661.db2.gz FLCVAJCMPIDZKD-UHFFFAOYSA-N 1 0 459.555 -0.435 20 0 JBADRO C[NH+](C)CCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001503402773 1068389477 /nfs/dbraw/zinc/38/94/77/1068389477.db2.gz JZNLIMAWHKPHSW-INIZCTEOSA-N 1 0 475.525 -0.279 20 0 JBADRO C[NH+](C)CCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001503402776 1068389695 /nfs/dbraw/zinc/38/96/95/1068389695.db2.gz JZNLIMAWHKPHSW-MRXNPFEDSA-N 1 0 475.525 -0.279 20 0 JBADRO CN1C(=O)C[C@H]2CN(c3nnc([C@@H]4CN(S(C)(=O)=O)CCO4)n3CCOCC[NH+](C)C)CC[C@H]21 ZINC001503403949 1068389490 /nfs/dbraw/zinc/38/94/90/1068389490.db2.gz AOKFGFUCODIVQG-KSZLIROESA-N 1 0 499.638 -0.754 20 0 JBADRO CN1C(=O)C[C@H]2CN(c3nnc([C@H]4CN(S(C)(=O)=O)CCO4)n3CCOCC[NH+](C)C)CC[C@H]21 ZINC001503403950 1068389459 /nfs/dbraw/zinc/38/94/59/1068389459.db2.gz AOKFGFUCODIVQG-RCCFBDPRSA-N 1 0 499.638 -0.754 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001503403966 1068389564 /nfs/dbraw/zinc/38/95/64/1068389564.db2.gz BHYIBEUJKCSHFE-BTYIYWSLSA-N 1 0 497.622 -0.427 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001503403967 1068389680 /nfs/dbraw/zinc/38/96/80/1068389680.db2.gz BHYIBEUJKCSHFE-QVKFZJNVSA-N 1 0 497.622 -0.427 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001503403968 1068389444 /nfs/dbraw/zinc/38/94/44/1068389444.db2.gz BHYIBEUJKCSHFE-VFNWGFHPSA-N 1 0 497.622 -0.427 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001503403969 1068389615 /nfs/dbraw/zinc/38/96/15/1068389615.db2.gz BHYIBEUJKCSHFE-YCRPNKLZSA-N 1 0 497.622 -0.427 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001503404260 1068389646 /nfs/dbraw/zinc/38/96/46/1068389646.db2.gz HVNKPUQXRCWSQY-KRWDZBQOSA-N 1 0 464.571 -0.618 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001503404261 1068389427 /nfs/dbraw/zinc/38/94/27/1068389427.db2.gz HVNKPUQXRCWSQY-QGZVFWFLSA-N 1 0 464.571 -0.618 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001503404534 1068389710 /nfs/dbraw/zinc/38/97/10/1068389710.db2.gz MTKVQTFIGQHPFM-GOSISDBHSA-N 1 0 463.583 -0.117 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001503404535 1068389524 /nfs/dbraw/zinc/38/95/24/1068389524.db2.gz MTKVQTFIGQHPFM-SFHVURJKSA-N 1 0 463.583 -0.117 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001503406165 1068390503 /nfs/dbraw/zinc/39/05/03/1068390503.db2.gz ZPXVNMMSDPGYRM-KRWDZBQOSA-N 1 0 469.612 -0.436 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001503406166 1068390386 /nfs/dbraw/zinc/39/03/86/1068390386.db2.gz ZPXVNMMSDPGYRM-QGZVFWFLSA-N 1 0 469.612 -0.436 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001503407024 1068391376 /nfs/dbraw/zinc/39/13/76/1068391376.db2.gz KEQDIINGCNGNKI-UHFFFAOYSA-N 1 0 483.639 -0.160 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001503407090 1068391078 /nfs/dbraw/zinc/39/10/78/1068391078.db2.gz CZQXQJCOFGJLBX-KRWDZBQOSA-N 1 0 469.612 -0.331 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001503407091 1068391339 /nfs/dbraw/zinc/39/13/39/1068391339.db2.gz CZQXQJCOFGJLBX-QGZVFWFLSA-N 1 0 469.612 -0.331 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001503408081 1068391782 /nfs/dbraw/zinc/39/17/82/1068391782.db2.gz TUHAQGYODUMGCB-UHFFFAOYSA-N 1 0 493.638 -0.262 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001503408409 1068391709 /nfs/dbraw/zinc/39/17/09/1068391709.db2.gz MKAVOLRJBIETBJ-IAGOWNOFSA-N 1 0 469.612 -0.331 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001503408410 1068391835 /nfs/dbraw/zinc/39/18/35/1068391835.db2.gz MKAVOLRJBIETBJ-SJORKVTESA-N 1 0 469.612 -0.331 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503409416 1068391503 /nfs/dbraw/zinc/39/15/03/1068391503.db2.gz SHXFLCWCMZLKSN-GOSISDBHSA-N 1 0 483.639 -0.192 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503409418 1068391672 /nfs/dbraw/zinc/39/16/72/1068391672.db2.gz SHXFLCWCMZLKSN-SFHVURJKSA-N 1 0 483.639 -0.192 20 0 JBADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[N@@H+]1CCCO)C1CCN(S(C)(=O)=O)CC1 ZINC001503422068 1068393014 /nfs/dbraw/zinc/39/30/14/1068393014.db2.gz OALTUZIPCMKZIY-MSOLQXFVSA-N 1 0 483.639 -0.064 20 0 JBADRO CN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC[N@@H+]1CCCO)C1CCN(S(C)(=O)=O)CC1 ZINC001503422069 1068393306 /nfs/dbraw/zinc/39/33/06/1068393306.db2.gz OALTUZIPCMKZIY-QZTJIDSGSA-N 1 0 483.639 -0.064 20 0 JBADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@@H+]1CCCO)C1CCN(S(C)(=O)=O)CC1 ZINC001503422070 1068393200 /nfs/dbraw/zinc/39/32/00/1068393200.db2.gz OALTUZIPCMKZIY-ROUUACIJSA-N 1 0 483.639 -0.064 20 0 JBADRO CN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@@H+]1CCCO)C1CCN(S(C)(=O)=O)CC1 ZINC001503422071 1068393052 /nfs/dbraw/zinc/39/30/52/1068393052.db2.gz OALTUZIPCMKZIY-ZWKOTPCHSA-N 1 0 483.639 -0.064 20 0 JBADRO CN(c1nnc([C@H]2CCC(=O)N2)n1CCC[NH+]1CCC(O)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC001503422140 1068392931 /nfs/dbraw/zinc/39/29/31/1068392931.db2.gz POZADDDMKDMPQQ-GOSISDBHSA-N 1 0 483.639 -0.064 20 0 JBADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1CCC(O)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC001503422141 1068393179 /nfs/dbraw/zinc/39/31/79/1068393179.db2.gz POZADDDMKDMPQQ-SFHVURJKSA-N 1 0 483.639 -0.064 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503436871 1068394790 /nfs/dbraw/zinc/39/47/90/1068394790.db2.gz MBGBMRPPZIRYGW-UHFFFAOYSA-N 1 0 463.583 -0.344 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001503440328 1068396237 /nfs/dbraw/zinc/39/62/37/1068396237.db2.gz CQGWDSKDTIVZQU-DLBZAZTESA-N 1 0 454.597 -0.185 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001503440329 1068396449 /nfs/dbraw/zinc/39/64/49/1068396449.db2.gz CQGWDSKDTIVZQU-IAGOWNOFSA-N 1 0 454.597 -0.185 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001503440330 1068396482 /nfs/dbraw/zinc/39/64/82/1068396482.db2.gz CQGWDSKDTIVZQU-IRXDYDNUSA-N 1 0 454.597 -0.185 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001503440331 1068396185 /nfs/dbraw/zinc/39/61/85/1068396185.db2.gz CQGWDSKDTIVZQU-SJORKVTESA-N 1 0 454.597 -0.185 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001503441154 1068396845 /nfs/dbraw/zinc/39/68/45/1068396845.db2.gz RXDXFNCZKKEYRI-MSOLQXFVSA-N 1 0 499.638 -0.754 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001503441156 1068396900 /nfs/dbraw/zinc/39/69/00/1068396900.db2.gz RXDXFNCZKKEYRI-QZTJIDSGSA-N 1 0 499.638 -0.754 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001503441159 1068396865 /nfs/dbraw/zinc/39/68/65/1068396865.db2.gz RXDXFNCZKKEYRI-ROUUACIJSA-N 1 0 499.638 -0.754 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001503441160 1068397021 /nfs/dbraw/zinc/39/70/21/1068397021.db2.gz RXDXFNCZKKEYRI-ZWKOTPCHSA-N 1 0 499.638 -0.754 20 0 JBADRO C[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C1CCCC1 ZINC001503610242 1068399853 /nfs/dbraw/zinc/39/98/53/1068399853.db2.gz CSSBYTYTRFTCDG-INIZCTEOSA-N 1 0 455.585 -0.578 20 0 JBADRO C[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C1CCCC1 ZINC001503610243 1068400060 /nfs/dbraw/zinc/40/00/60/1068400060.db2.gz CSSBYTYTRFTCDG-MRXNPFEDSA-N 1 0 455.585 -0.578 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001503624404 1068401931 /nfs/dbraw/zinc/40/19/31/1068401931.db2.gz UKXPGCXVXZJALC-INIZCTEOSA-N 1 0 469.612 -0.140 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001503624405 1068402043 /nfs/dbraw/zinc/40/20/43/1068402043.db2.gz UKXPGCXVXZJALC-MRXNPFEDSA-N 1 0 469.612 -0.140 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2CCCS(C)(=O)=O)cn1 ZINC001503650458 1068404600 /nfs/dbraw/zinc/40/46/00/1068404600.db2.gz LQGIBHGXGXSWJL-UHFFFAOYSA-N 1 0 464.596 -0.142 20 0 JBADRO Cn1cc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001503650889 1068405250 /nfs/dbraw/zinc/40/52/50/1068405250.db2.gz SKJUVWAVCVMXGJ-INIZCTEOSA-N 1 0 452.585 -0.224 20 0 JBADRO Cn1cc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCNS(C)(=O)=O)cn1 ZINC001503650890 1068405288 /nfs/dbraw/zinc/40/52/88/1068405288.db2.gz SKJUVWAVCVMXGJ-MRXNPFEDSA-N 1 0 452.585 -0.224 20 0 JBADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(CN4CCCC4=O)n3CCCNS(C)(=O)=O)CC2)cn1 ZINC001503658629 1068406045 /nfs/dbraw/zinc/40/60/45/1068406045.db2.gz VXIVOCXRGUGGBC-UHFFFAOYSA-N 1 0 493.638 -0.214 20 0 JBADRO CN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CC[N@H+](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC001503677180 1068407592 /nfs/dbraw/zinc/40/75/92/1068407592.db2.gz FLVSEDSOQIZGHF-FQEVSTJZSA-N 1 0 469.612 -0.559 20 0 JBADRO CN(c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC001503677181 1068407692 /nfs/dbraw/zinc/40/76/92/1068407692.db2.gz FLVSEDSOQIZGHF-HXUWFJFHSA-N 1 0 469.612 -0.559 20 0 JBADRO C[N@@H+]1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001503678432 1068408227 /nfs/dbraw/zinc/40/82/27/1068408227.db2.gz MWAIBBXJOVVKMP-IBGZPJMESA-N 1 0 455.585 -0.901 20 0 JBADRO C[N@@H+]1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001503678433 1068408513 /nfs/dbraw/zinc/40/85/13/1068408513.db2.gz MWAIBBXJOVVKMP-LJQANCHMSA-N 1 0 455.585 -0.901 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001503678766 1068408493 /nfs/dbraw/zinc/40/84/93/1068408493.db2.gz NLRZXQJJZVKSFH-JOCHJYFZSA-N 1 0 491.618 -0.036 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001503678767 1068408298 /nfs/dbraw/zinc/40/82/98/1068408298.db2.gz NLRZXQJJZVKSFH-QFIPXVFZSA-N 1 0 491.618 -0.036 20 0 JBADRO 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20 0 JBADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001503679829 1068409279 /nfs/dbraw/zinc/40/92/79/1068409279.db2.gz GNBCBCAJRHFZRM-HZPDHXFCSA-N 1 0 469.612 -0.332 20 0 JBADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001503679831 1068409503 /nfs/dbraw/zinc/40/95/03/1068409503.db2.gz GNBCBCAJRHFZRM-JKSUJKDBSA-N 1 0 469.612 -0.332 20 0 JBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCNS(C)(=O)=O)CC1 ZINC001503680129 1068409437 /nfs/dbraw/zinc/40/94/37/1068409437.db2.gz JGRIUDIWRZMGJI-HZPDHXFCSA-N 1 0 455.585 -0.578 20 0 JBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCNS(C)(=O)=O)CC1 ZINC001503680131 1068409091 /nfs/dbraw/zinc/40/90/91/1068409091.db2.gz JGRIUDIWRZMGJI-JKSUJKDBSA-N 1 0 455.585 -0.578 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503680406 1068409071 /nfs/dbraw/zinc/40/90/71/1068409071.db2.gz PEVXOUPXCMCEDK-NRFANRHFSA-N 1 0 477.591 -0.369 20 0 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1068424878 /nfs/dbraw/zinc/42/48/78/1068424878.db2.gz FBTXTTCETMXACB-ZWKOTPCHSA-N 1 0 462.599 -0.546 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3sccc3C2)CCO1 ZINC001503777500 1068424905 /nfs/dbraw/zinc/42/49/05/1068424905.db2.gz RYTCKECMYAVZNR-GDBMZVCRSA-N 1 0 497.647 -0.041 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3sccc3C2)CCO1 ZINC001503777501 1068425081 /nfs/dbraw/zinc/42/50/81/1068425081.db2.gz RYTCKECMYAVZNR-GOEBONIOSA-N 1 0 497.647 -0.041 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3sccc3C2)CCO1 ZINC001503777502 1068425034 /nfs/dbraw/zinc/42/50/34/1068425034.db2.gz RYTCKECMYAVZNR-HOCLYGCPSA-N 1 0 497.647 -0.041 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3sccc3C2)CCO1 ZINC001503777503 1068424829 /nfs/dbraw/zinc/42/48/29/1068424829.db2.gz RYTCKECMYAVZNR-ZBFHGGJFSA-N 1 0 497.647 -0.041 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001503777669 1068425603 /nfs/dbraw/zinc/42/56/03/1068425603.db2.gz ICJLJWKLTLUTEP-BZSNNMDCSA-N 1 0 499.638 -0.706 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001503777671 1068425510 /nfs/dbraw/zinc/42/55/10/1068425510.db2.gz ICJLJWKLTLUTEP-KSZLIROESA-N 1 0 499.638 -0.706 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001503777674 1068425692 /nfs/dbraw/zinc/42/56/92/1068425692.db2.gz ICJLJWKLTLUTEP-KURKYZTESA-N 1 0 499.638 -0.706 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001503777676 1068425491 /nfs/dbraw/zinc/42/54/91/1068425491.db2.gz ICJLJWKLTLUTEP-SQNIBIBYSA-N 1 0 499.638 -0.706 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001503779331 1068426313 /nfs/dbraw/zinc/42/63/13/1068426313.db2.gz NIGIFAIMVIBTTE-DLBZAZTESA-N 1 0 487.627 -0.708 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001503779334 1068427147 /nfs/dbraw/zinc/42/71/47/1068427147.db2.gz NIGIFAIMVIBTTE-IAGOWNOFSA-N 1 0 487.627 -0.708 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001503779336 1068427064 /nfs/dbraw/zinc/42/70/64/1068427064.db2.gz NIGIFAIMVIBTTE-IRXDYDNUSA-N 1 0 487.627 -0.708 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001503779338 1068426997 /nfs/dbraw/zinc/42/69/97/1068426997.db2.gz NIGIFAIMVIBTTE-SJORKVTESA-N 1 0 487.627 -0.708 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001503780052 1068427161 /nfs/dbraw/zinc/42/71/61/1068427161.db2.gz PWLXMRAJLPPQPU-CVEARBPZSA-N 1 0 485.611 -0.954 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001503780053 1068427779 /nfs/dbraw/zinc/42/77/79/1068427779.db2.gz PWLXMRAJLPPQPU-HOTGVXAUSA-N 1 0 485.611 -0.954 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001503780054 1068427740 /nfs/dbraw/zinc/42/77/40/1068427740.db2.gz PWLXMRAJLPPQPU-HZPDHXFCSA-N 1 0 485.611 -0.954 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001503780055 1068427865 /nfs/dbraw/zinc/42/78/65/1068427865.db2.gz PWLXMRAJLPPQPU-JKSUJKDBSA-N 1 0 485.611 -0.954 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001503780347 1068427674 /nfs/dbraw/zinc/42/76/74/1068427674.db2.gz ANDUBCTZSHIGND-BZSNNMDCSA-N 1 0 463.583 -0.149 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001503780348 1068427823 /nfs/dbraw/zinc/42/78/23/1068427823.db2.gz ANDUBCTZSHIGND-FGTMMUONSA-N 1 0 463.583 -0.149 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001503780350 1068427759 /nfs/dbraw/zinc/42/77/59/1068427759.db2.gz ANDUBCTZSHIGND-KSZLIROESA-N 1 0 463.583 -0.149 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001503780352 1068427786 /nfs/dbraw/zinc/42/77/86/1068427786.db2.gz ANDUBCTZSHIGND-KURKYZTESA-N 1 0 463.583 -0.149 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001503785059 1068430134 /nfs/dbraw/zinc/43/01/34/1068430134.db2.gz ZMQUBKJPZBWEAK-IBGZPJMESA-N 1 0 476.626 -0.375 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001503785060 1068430289 /nfs/dbraw/zinc/43/02/89/1068430289.db2.gz ZMQUBKJPZBWEAK-LJQANCHMSA-N 1 0 476.626 -0.375 20 0 JBADRO CNC(=O)CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503802227 1068431607 /nfs/dbraw/zinc/43/16/07/1068431607.db2.gz FROLDEGTROSFTJ-JOCHJYFZSA-N 1 0 454.535 -0.169 20 0 JBADRO CNC(=O)CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503802228 1068431807 /nfs/dbraw/zinc/43/18/07/1068431807.db2.gz FROLDEGTROSFTJ-QFIPXVFZSA-N 1 0 454.535 -0.169 20 0 JBADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001503805487 1068431712 /nfs/dbraw/zinc/43/17/12/1068431712.db2.gz UPXFSWBJXPUKCG-KRWDZBQOSA-N 1 0 487.627 -0.970 20 0 JBADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001503805491 1068431745 /nfs/dbraw/zinc/43/17/45/1068431745.db2.gz UPXFSWBJXPUKCG-QGZVFWFLSA-N 1 0 487.627 -0.970 20 0 JBADRO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001503808087 1068432311 /nfs/dbraw/zinc/43/23/11/1068432311.db2.gz CGRGLKQWHCYCBW-HNNXBMFYSA-N 1 0 457.601 -0.427 20 0 JBADRO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001503808088 1068432433 /nfs/dbraw/zinc/43/24/33/1068432433.db2.gz CGRGLKQWHCYCBW-OAHLLOKOSA-N 1 0 457.601 -0.427 20 0 JBADRO CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503808641 1068432450 /nfs/dbraw/zinc/43/24/50/1068432450.db2.gz NKVXCZLEBSPHOD-DLBZAZTESA-N 1 0 451.572 -0.119 20 0 JBADRO CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503808642 1068432492 /nfs/dbraw/zinc/43/24/92/1068432492.db2.gz NKVXCZLEBSPHOD-IAGOWNOFSA-N 1 0 451.572 -0.119 20 0 JBADRO CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503808643 1068432357 /nfs/dbraw/zinc/43/23/57/1068432357.db2.gz NKVXCZLEBSPHOD-IRXDYDNUSA-N 1 0 451.572 -0.119 20 0 JBADRO CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503808644 1068432331 /nfs/dbraw/zinc/43/23/31/1068432331.db2.gz NKVXCZLEBSPHOD-SJORKVTESA-N 1 0 451.572 -0.119 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001503814720 1068434007 /nfs/dbraw/zinc/43/40/07/1068434007.db2.gz LMQLAQVWMFLXBM-MOPGFXCFSA-N 1 0 497.666 -0.453 20 0 JBADRO CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001503814722 1068433864 /nfs/dbraw/zinc/43/38/64/1068433864.db2.gz LMQLAQVWMFLXBM-OALUTQOASA-N 1 0 497.666 -0.453 20 0 JBADRO CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001503814724 1068434106 /nfs/dbraw/zinc/43/41/06/1068434106.db2.gz LMQLAQVWMFLXBM-RBUKOAKNSA-N 1 0 497.666 -0.453 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001503814725 1068433907 /nfs/dbraw/zinc/43/39/07/1068433907.db2.gz LMQLAQVWMFLXBM-RTBURBONSA-N 1 0 497.666 -0.453 20 0 JBADRO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001503815020 1068433746 /nfs/dbraw/zinc/43/37/46/1068433746.db2.gz ONSQKHMRKFRAEU-GOSISDBHSA-N 1 0 499.638 -0.704 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001503815021 1068434055 /nfs/dbraw/zinc/43/40/55/1068434055.db2.gz ONSQKHMRKFRAEU-SFHVURJKSA-N 1 0 499.638 -0.704 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001503815257 1068433937 /nfs/dbraw/zinc/43/39/37/1068433937.db2.gz LWVBENDWQAFWPE-MSOLQXFVSA-N 1 0 462.599 -0.404 20 0 JBADRO CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001503815258 1068434066 /nfs/dbraw/zinc/43/40/66/1068434066.db2.gz LWVBENDWQAFWPE-QZTJIDSGSA-N 1 0 462.599 -0.404 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001503815259 1068433770 /nfs/dbraw/zinc/43/37/70/1068433770.db2.gz LWVBENDWQAFWPE-ROUUACIJSA-N 1 0 462.599 -0.404 20 0 JBADRO CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001503815260 1068434027 /nfs/dbraw/zinc/43/40/27/1068434027.db2.gz LWVBENDWQAFWPE-ZWKOTPCHSA-N 1 0 462.599 -0.404 20 0 JBADRO CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503819714 1068435461 /nfs/dbraw/zinc/43/54/61/1068435461.db2.gz IGKCPISWIBIHSF-PXNSSMCTSA-N 1 0 463.583 -0.117 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001503821244 1068435528 /nfs/dbraw/zinc/43/55/28/1068435528.db2.gz 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/nfs/dbraw/zinc/43/62/71/1068436271.db2.gz GWXGMUNUCHTSRA-LSDHHAIUSA-N 1 0 454.601 -0.166 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001503823477 1068436230 /nfs/dbraw/zinc/43/62/30/1068436230.db2.gz WHKSOVXAESGLLQ-INIZCTEOSA-N 1 0 486.643 -0.415 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001503823479 1068436264 /nfs/dbraw/zinc/43/62/64/1068436264.db2.gz WHKSOVXAESGLLQ-MRXNPFEDSA-N 1 0 486.643 -0.415 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001503824757 1068437010 /nfs/dbraw/zinc/43/70/10/1068437010.db2.gz LYSVPMBOWSUSRT-GOSISDBHSA-N 1 0 498.654 -0.196 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001503824758 1068436824 /nfs/dbraw/zinc/43/68/24/1068436824.db2.gz LYSVPMBOWSUSRT-SFHVURJKSA-N 1 0 498.654 -0.196 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001503825225 1068437691 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1068437710 /nfs/dbraw/zinc/43/77/10/1068437710.db2.gz AXKAZXMMZINVHX-SFHVURJKSA-N 1 0 489.625 -0.195 20 0 JBADRO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001503828213 1068438358 /nfs/dbraw/zinc/43/83/58/1068438358.db2.gz CBJPMOYUALMBQY-UHFFFAOYSA-N 1 0 493.638 -0.139 20 0 JBADRO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001503828759 1068438372 /nfs/dbraw/zinc/43/83/72/1068438372.db2.gz FVXOKGIMLPFQLZ-KRWDZBQOSA-N 1 0 470.644 -0.430 20 0 JBADRO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001503828763 1068438572 /nfs/dbraw/zinc/43/85/72/1068438572.db2.gz FVXOKGIMLPFQLZ-QGZVFWFLSA-N 1 0 470.644 -0.430 20 0 JBADRO CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001503828847 1068438555 /nfs/dbraw/zinc/43/85/55/1068438555.db2.gz GRBDOYIWOKJZKG-INIZCTEOSA-N 1 0 478.579 -0.367 20 0 JBADRO CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001503828849 1068438508 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QRNDOKNMEDZEIL-ZACQAIPSSA-N 1 0 469.612 -0.190 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001510052607 1068595357 /nfs/dbraw/zinc/59/53/57/1068595357.db2.gz BEQVSBFQKNDVFH-CLCXKQKWSA-N 1 0 455.585 -0.723 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001510052613 1068596437 /nfs/dbraw/zinc/59/64/37/1068596437.db2.gz BEQVSBFQKNDVFH-SPYBWZPUSA-N 1 0 455.585 -0.723 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001510052618 1068596320 /nfs/dbraw/zinc/59/63/20/1068596320.db2.gz BEQVSBFQKNDVFH-VCBZYWHSSA-N 1 0 455.585 -0.723 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001510052623 1068596422 /nfs/dbraw/zinc/59/64/22/1068596422.db2.gz BEQVSBFQKNDVFH-ZRGWGRIASA-N 1 0 455.585 -0.723 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)[NH+](C)C ZINC001510053599 1068596479 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JSTWBVOXKQOGAQ-HOCLYGCPSA-N 1 0 478.641 -0.426 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCS(C)(=O)=O)C1CC1)[NH+](C)C ZINC001510058132 1068596731 /nfs/dbraw/zinc/59/67/31/1068596731.db2.gz JSTWBVOXKQOGAQ-ZBFHGGJFSA-N 1 0 478.641 -0.426 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001510061189 1068596865 /nfs/dbraw/zinc/59/68/65/1068596865.db2.gz NTLCOXJGFZDDBV-CABCVRRESA-N 1 0 498.610 -0.918 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001510061197 1068596889 /nfs/dbraw/zinc/59/68/89/1068596889.db2.gz NTLCOXJGFZDDBV-GJZGRUSLSA-N 1 0 498.610 -0.918 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001510061205 1068596990 /nfs/dbraw/zinc/59/69/90/1068596990.db2.gz NTLCOXJGFZDDBV-HUUCEWRRSA-N 1 0 498.610 -0.918 20 0 JBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001510061212 1068597142 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1 0 459.642 -0.008 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CCCC[NH+]1CCOCC1 ZINC001510182291 1068605062 /nfs/dbraw/zinc/60/50/62/1068605062.db2.gz QTHUTRFTXNTPAR-HNNXBMFYSA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CCCC[NH+]1CCOCC1 ZINC001510182293 1068604985 /nfs/dbraw/zinc/60/49/85/1068604985.db2.gz QTHUTRFTXNTPAR-OAHLLOKOSA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001510183094 1068604910 /nfs/dbraw/zinc/60/49/10/1068604910.db2.gz IHPDDFKWVBHDPZ-GOSISDBHSA-N 1 0 486.687 -0.317 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001510183095 1068605040 /nfs/dbraw/zinc/60/50/40/1068605040.db2.gz IHPDDFKWVBHDPZ-SFHVURJKSA-N 1 0 486.687 -0.317 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001510186252 1068605711 /nfs/dbraw/zinc/60/57/11/1068605711.db2.gz UJZBJJJRJSBUNA-CABCVRRESA-N 1 0 479.673 -0.006 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001510186253 1068605643 /nfs/dbraw/zinc/60/56/43/1068605643.db2.gz UJZBJJJRJSBUNA-GJZGRUSLSA-N 1 0 479.673 -0.006 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001510186255 1068605722 /nfs/dbraw/zinc/60/57/22/1068605722.db2.gz UJZBJJJRJSBUNA-HUUCEWRRSA-N 1 0 479.673 -0.006 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001510186257 1068605667 /nfs/dbraw/zinc/60/56/67/1068605667.db2.gz UJZBJJJRJSBUNA-LSDHHAIUSA-N 1 0 479.673 -0.006 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001510186752 1068605698 /nfs/dbraw/zinc/60/56/98/1068605698.db2.gz HTNNBLMMXDJXGX-IPYPFGDCSA-N 1 0 470.600 -0.395 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001510186753 1068605798 /nfs/dbraw/zinc/60/57/98/1068605798.db2.gz HTNNBLMMXDJXGX-KCQAQPDRSA-N 1 0 470.600 -0.395 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001510186754 1068605769 /nfs/dbraw/zinc/60/57/69/1068605769.db2.gz HTNNBLMMXDJXGX-VNHYZAJKSA-N 1 0 470.600 -0.395 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001510186755 1068606405 /nfs/dbraw/zinc/60/64/05/1068606405.db2.gz HTNNBLMMXDJXGX-YDHLFZDLSA-N 1 0 470.600 -0.395 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[NH+]1CCCCC1 ZINC001510190255 1068607032 /nfs/dbraw/zinc/60/70/32/1068607032.db2.gz CRORYRVDFACIGL-HNNXBMFYSA-N 1 0 477.657 -0.108 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[NH+]1CCCCC1 ZINC001510190259 1068606978 /nfs/dbraw/zinc/60/69/78/1068606978.db2.gz CRORYRVDFACIGL-OAHLLOKOSA-N 1 0 477.657 -0.108 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001510190315 1068606996 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1068607001 /nfs/dbraw/zinc/60/70/01/1068607001.db2.gz LIXQOARFNPCUKM-QGZVFWFLSA-N 1 0 486.639 -0.022 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001510191212 1068606992 /nfs/dbraw/zinc/60/69/92/1068606992.db2.gz LSQKZNOFOKESTG-INIZCTEOSA-N 1 0 471.628 -0.085 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001510191215 1068607005 /nfs/dbraw/zinc/60/70/05/1068607005.db2.gz LSQKZNOFOKESTG-MRXNPFEDSA-N 1 0 471.628 -0.085 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001510193197 1068607581 /nfs/dbraw/zinc/60/75/81/1068607581.db2.gz FQJXZMJOSKIGLV-HRCADAONSA-N 1 0 477.657 -0.157 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001510193199 1068607654 /nfs/dbraw/zinc/60/76/54/1068607654.db2.gz FQJXZMJOSKIGLV-JYJNAYRXSA-N 1 0 477.657 -0.157 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001510193394 1068608175 /nfs/dbraw/zinc/60/81/75/1068608175.db2.gz FQJXZMJOSKIGLV-OWCLPIDISA-N 1 0 477.657 -0.157 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001510193401 1068608170 /nfs/dbraw/zinc/60/81/70/1068608170.db2.gz FQJXZMJOSKIGLV-PMPSAXMXSA-N 1 0 477.657 -0.157 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[NH+]1CCCC1 ZINC001510193656 1068608145 /nfs/dbraw/zinc/60/81/45/1068608145.db2.gz SQASTFHCUBTKES-HNNXBMFYSA-N 1 0 477.657 -0.250 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[NH+]1CCCC1 ZINC001510193669 1068608162 /nfs/dbraw/zinc/60/81/62/1068608162.db2.gz SQASTFHCUBTKES-OAHLLOKOSA-N 1 0 477.657 -0.250 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510196570 1068608728 /nfs/dbraw/zinc/60/87/28/1068608728.db2.gz XIUNLCAJQNNFHX-INIZCTEOSA-N 1 0 483.639 -0.037 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510196571 1068608691 /nfs/dbraw/zinc/60/86/91/1068608691.db2.gz XIUNLCAJQNNFHX-MRXNPFEDSA-N 1 0 483.639 -0.037 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+](C)C ZINC001510199213 1068609781 /nfs/dbraw/zinc/60/97/81/1068609781.db2.gz OYCMGCYCQZMYRN-ILXRZTDVSA-N 1 0 465.646 -0.396 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+](C)C ZINC001510199215 1068609890 /nfs/dbraw/zinc/60/98/90/1068609890.db2.gz OYCMGCYCQZMYRN-KKUMJFAQSA-N 1 0 465.646 -0.396 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+](C)C ZINC001510199218 1068609910 /nfs/dbraw/zinc/60/99/10/1068609910.db2.gz OYCMGCYCQZMYRN-QLFBSQMISA-N 1 0 465.646 -0.396 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+](C)C ZINC001510199221 1068609797 /nfs/dbraw/zinc/60/97/97/1068609797.db2.gz OYCMGCYCQZMYRN-SOUVJXGZSA-N 1 0 465.646 -0.396 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](C1CC1)[NH+](C)C ZINC001510199686 1068610497 /nfs/dbraw/zinc/61/04/97/1068610497.db2.gz GUJNYJOAMRAARK-DZGCQCFKSA-N 1 0 482.611 -0.251 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C1CC1)[NH+](C)C ZINC001510199689 1068610442 /nfs/dbraw/zinc/61/04/42/1068610442.db2.gz GUJNYJOAMRAARK-HIFRSBDPSA-N 1 0 482.611 -0.251 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@H](C1CC1)[NH+](C)C ZINC001510199692 1068610493 /nfs/dbraw/zinc/61/04/93/1068610493.db2.gz GUJNYJOAMRAARK-UKRRQHHQSA-N 1 0 482.611 -0.251 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C1CC1)[NH+](C)C ZINC001510199696 1068610489 /nfs/dbraw/zinc/61/04/89/1068610489.db2.gz GUJNYJOAMRAARK-ZFWWWQNUSA-N 1 0 482.611 -0.251 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001510202199 1068610882 /nfs/dbraw/zinc/61/08/82/1068610882.db2.gz LFDQPGJGNJZUGN-CVEARBPZSA-N 1 0 492.668 -0.253 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001510202202 1068611018 /nfs/dbraw/zinc/61/10/18/1068611018.db2.gz LFDQPGJGNJZUGN-HOTGVXAUSA-N 1 0 492.668 -0.253 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001510202205 1068610978 /nfs/dbraw/zinc/61/09/78/1068610978.db2.gz LFDQPGJGNJZUGN-HZPDHXFCSA-N 1 0 492.668 -0.253 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001510202207 1068610960 /nfs/dbraw/zinc/61/09/60/1068610960.db2.gz LFDQPGJGNJZUGN-JKSUJKDBSA-N 1 0 492.668 -0.253 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001510205025 1068611622 /nfs/dbraw/zinc/61/16/22/1068611622.db2.gz QVORHVBVJIDXQU-AWEZNQCLSA-N 1 0 470.600 -0.251 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001510205026 1068611664 /nfs/dbraw/zinc/61/16/64/1068611664.db2.gz QVORHVBVJIDXQU-CQSZACIVSA-N 1 0 470.600 -0.251 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCOCC[NH+](C)C ZINC001510205672 1068611646 /nfs/dbraw/zinc/61/16/46/1068611646.db2.gz RWJLHSJQFNAHTA-INIZCTEOSA-N 1 0 471.628 -0.085 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCOCC[NH+](C)C ZINC001510205676 1068611690 /nfs/dbraw/zinc/61/16/90/1068611690.db2.gz RWJLHSJQFNAHTA-MRXNPFEDSA-N 1 0 471.628 -0.085 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001510205938 1068611651 /nfs/dbraw/zinc/61/16/51/1068611651.db2.gz ANFQTOXOFKBDBX-KRWDZBQOSA-N 1 0 498.654 -0.501 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001510205941 1068611674 /nfs/dbraw/zinc/61/16/74/1068611674.db2.gz ANFQTOXOFKBDBX-QGZVFWFLSA-N 1 0 498.654 -0.501 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510207369 1068612698 /nfs/dbraw/zinc/61/26/98/1068612698.db2.gz BMNLMJFEZDDDMB-INIZCTEOSA-N 1 0 496.638 -0.841 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(=O)NCC1CC1 ZINC001510207370 1068612731 /nfs/dbraw/zinc/61/27/31/1068612731.db2.gz BMNLMJFEZDDDMB-MRXNPFEDSA-N 1 0 496.638 -0.841 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCC1CC1 ZINC001510207714 1068612943 /nfs/dbraw/zinc/61/29/43/1068612943.db2.gz CPCACADNYKEVMN-DOTOQJQBSA-N 1 0 496.638 -0.843 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCC1CC1 ZINC001510207718 1068612854 /nfs/dbraw/zinc/61/28/54/1068612854.db2.gz CPCACADNYKEVMN-NVXWUHKLSA-N 1 0 496.638 -0.843 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCC1CC1 ZINC001510207723 1068612787 /nfs/dbraw/zinc/61/27/87/1068612787.db2.gz CPCACADNYKEVMN-RDJZCZTQSA-N 1 0 496.638 -0.843 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(=O)NCC1CC1 ZINC001510207727 1068612805 /nfs/dbraw/zinc/61/28/05/1068612805.db2.gz CPCACADNYKEVMN-WBVHZDCISA-N 1 0 496.638 -0.843 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001510207885 1068612880 /nfs/dbraw/zinc/61/28/80/1068612880.db2.gz DMJWIJVDSSSARV-HNNXBMFYSA-N 1 0 456.617 -0.807 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001510207888 1068612905 /nfs/dbraw/zinc/61/29/05/1068612905.db2.gz DMJWIJVDSSSARV-OAHLLOKOSA-N 1 0 456.617 -0.807 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001510209133 1068613568 /nfs/dbraw/zinc/61/35/68/1068613568.db2.gz NHBNVTBDGLMXHT-HNNXBMFYSA-N 1 0 477.657 -0.108 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001510209135 1068613480 /nfs/dbraw/zinc/61/34/80/1068613480.db2.gz NHBNVTBDGLMXHT-OAHLLOKOSA-N 1 0 477.657 -0.108 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001510209749 1068613435 /nfs/dbraw/zinc/61/34/35/1068613435.db2.gz IOFMYAJPCDKWPY-HNNXBMFYSA-N 1 0 492.668 -0.252 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001510209764 1068613536 /nfs/dbraw/zinc/61/35/36/1068613536.db2.gz IOFMYAJPCDKWPY-OAHLLOKOSA-N 1 0 492.668 -0.252 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001510210302 1068614240 /nfs/dbraw/zinc/61/42/40/1068614240.db2.gz RAIAVXPHSCBUBU-DLBZAZTESA-N 1 0 492.668 -0.128 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O ZINC001510210304 1068614138 /nfs/dbraw/zinc/61/41/38/1068614138.db2.gz RAIAVXPHSCBUBU-IAGOWNOFSA-N 1 0 492.668 -0.128 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001510210428 1068614216 /nfs/dbraw/zinc/61/42/16/1068614216.db2.gz SICLUHYSHOPUHY-CVEARBPZSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001510210430 1068614160 /nfs/dbraw/zinc/61/41/60/1068614160.db2.gz SICLUHYSHOPUHY-HOTGVXAUSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001510210431 1068614228 /nfs/dbraw/zinc/61/42/28/1068614228.db2.gz SICLUHYSHOPUHY-HZPDHXFCSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001510210433 1068614056 /nfs/dbraw/zinc/61/40/56/1068614056.db2.gz SICLUHYSHOPUHY-JKSUJKDBSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001510211384 1068614736 /nfs/dbraw/zinc/61/47/36/1068614736.db2.gz OCBAWNOZYQLRCI-CABCVRRESA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001510211386 1068614624 /nfs/dbraw/zinc/61/46/24/1068614624.db2.gz OCBAWNOZYQLRCI-GJZGRUSLSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001510211390 1068614767 /nfs/dbraw/zinc/61/47/67/1068614767.db2.gz OCBAWNOZYQLRCI-HUUCEWRRSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001510211394 1068614692 /nfs/dbraw/zinc/61/46/92/1068614692.db2.gz OCBAWNOZYQLRCI-LSDHHAIUSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC1(O)CCOCC1 ZINC001510211735 1068614655 /nfs/dbraw/zinc/61/46/55/1068614655.db2.gz BUMWEGBMEHIZAX-KRWDZBQOSA-N 1 0 486.639 -0.022 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC1(O)CCOCC1 ZINC001510211737 1068614699 /nfs/dbraw/zinc/61/46/99/1068614699.db2.gz BUMWEGBMEHIZAX-QGZVFWFLSA-N 1 0 486.639 -0.022 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001510211871 1068614591 /nfs/dbraw/zinc/61/45/91/1068614591.db2.gz YDXKWZAHBLVBKM-CVEARBPZSA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001510211872 1068614629 /nfs/dbraw/zinc/61/46/29/1068614629.db2.gz YDXKWZAHBLVBKM-HOTGVXAUSA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001510212744 1068616020 /nfs/dbraw/zinc/61/60/20/1068616020.db2.gz REPKBYZNPDBQSE-FGTMMUONSA-N 1 0 499.638 -0.827 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001510212745 1068615900 /nfs/dbraw/zinc/61/59/00/1068615900.db2.gz REPKBYZNPDBQSE-OKZBNKHCSA-N 1 0 499.638 -0.827 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001510213221 1068616090 /nfs/dbraw/zinc/61/60/90/1068616090.db2.gz IFLWADPCKWFDPH-INIZCTEOSA-N 1 0 471.628 -0.085 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCC(=O)N(C)C ZINC001510213223 1068615946 /nfs/dbraw/zinc/61/59/46/1068615946.db2.gz IFLWADPCKWFDPH-MRXNPFEDSA-N 1 0 471.628 -0.085 20 0 JBADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001510213388 1068615917 /nfs/dbraw/zinc/61/59/17/1068615917.db2.gz TXOIVDGGAWGGNH-HNNXBMFYSA-N 1 0 457.601 -0.299 20 0 JBADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001510213390 1068616048 /nfs/dbraw/zinc/61/60/48/1068616048.db2.gz TXOIVDGGAWGGNH-OAHLLOKOSA-N 1 0 457.601 -0.299 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC(=O)N(C)C ZINC001510213463 1068616854 /nfs/dbraw/zinc/61/68/54/1068616854.db2.gz VFJDBETXNSTXJM-CVEARBPZSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC(=O)N(C)C ZINC001510213464 1068616806 /nfs/dbraw/zinc/61/68/06/1068616806.db2.gz VFJDBETXNSTXJM-HOTGVXAUSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC(=O)N(C)C ZINC001510213465 1068616682 /nfs/dbraw/zinc/61/66/82/1068616682.db2.gz VFJDBETXNSTXJM-HZPDHXFCSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC(=O)N(C)C ZINC001510213466 1068616780 /nfs/dbraw/zinc/61/67/80/1068616780.db2.gz VFJDBETXNSTXJM-JKSUJKDBSA-N 1 0 484.627 -0.891 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCSCC1 ZINC001510213889 1068617417 /nfs/dbraw/zinc/61/74/17/1068617417.db2.gz LQFLYWODANIMBA-AWEZNQCLSA-N 1 0 481.670 -0.981 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCSCC1 ZINC001510213890 1068617495 /nfs/dbraw/zinc/61/74/95/1068617495.db2.gz LQFLYWODANIMBA-CQSZACIVSA-N 1 0 481.670 -0.981 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001510214204 1068617516 /nfs/dbraw/zinc/61/75/16/1068617516.db2.gz NEUJBRMDVIZWHO-CABCVRRESA-N 1 0 489.624 -0.134 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001510214206 1068617665 /nfs/dbraw/zinc/61/76/65/1068617665.db2.gz NEUJBRMDVIZWHO-GJZGRUSLSA-N 1 0 489.624 -0.134 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001510214209 1068617606 /nfs/dbraw/zinc/61/76/06/1068617606.db2.gz NEUJBRMDVIZWHO-HUUCEWRRSA-N 1 0 489.624 -0.134 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001510214211 1068618267 /nfs/dbraw/zinc/61/82/67/1068618267.db2.gz NEUJBRMDVIZWHO-LSDHHAIUSA-N 1 0 489.624 -0.134 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001510214288 1068618279 /nfs/dbraw/zinc/61/82/79/1068618279.db2.gz NNRUDFVHUQFPCW-DLBZAZTESA-N 1 0 482.655 -0.417 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001510214290 1068618120 /nfs/dbraw/zinc/61/81/20/1068618120.db2.gz NNRUDFVHUQFPCW-IAGOWNOFSA-N 1 0 482.655 -0.417 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001510214294 1068618208 /nfs/dbraw/zinc/61/82/08/1068618208.db2.gz NNRUDFVHUQFPCW-IRXDYDNUSA-N 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/nfs/dbraw/zinc/62/00/57/1068620057.db2.gz SIVUZJSYJWKKHH-SQGPQFPESA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001510215309 1068620080 /nfs/dbraw/zinc/62/00/80/1068620080.db2.gz SIVUZJSYJWKKHH-ZWOKBUDYSA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001510215416 1068620029 /nfs/dbraw/zinc/62/00/29/1068620029.db2.gz URTMXHYDIGLTPF-KRWDZBQOSA-N 1 0 484.671 -0.027 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001510215419 1068620125 /nfs/dbraw/zinc/62/01/25/1068620125.db2.gz URTMXHYDIGLTPF-QGZVFWFLSA-N 1 0 484.671 -0.027 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001510215681 1068620039 /nfs/dbraw/zinc/62/00/39/1068620039.db2.gz WISPEDXRWYBKDM-DOTOQJQBSA-N 1 0 489.668 -0.298 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001510215682 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1068620833 /nfs/dbraw/zinc/62/08/33/1068620833.db2.gz ALPHHBUSXZJQSE-HKUYNNGSSA-N 1 0 496.682 -0.027 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001510215977 1068620666 /nfs/dbraw/zinc/62/06/66/1068620666.db2.gz ALPHHBUSXZJQSE-IEBWSBKVSA-N 1 0 496.682 -0.027 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001510215979 1068620689 /nfs/dbraw/zinc/62/06/89/1068620689.db2.gz ALPHHBUSXZJQSE-MJGOQNOKSA-N 1 0 496.682 -0.027 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001510215981 1068620760 /nfs/dbraw/zinc/62/07/60/1068620760.db2.gz ALPHHBUSXZJQSE-PKOBYXMFSA-N 1 0 496.682 -0.027 20 0 JBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(O)CC3)CC2)C1 ZINC001510216394 1068621567 /nfs/dbraw/zinc/62/15/67/1068621567.db2.gz ZDGDZKCSLNYCJB-MSOLQXFVSA-N 1 0 485.655 -0.356 20 0 JBADRO 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CC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001514168434 1068672844 /nfs/dbraw/zinc/67/28/44/1068672844.db2.gz WKQSQAGDTXYITE-PFRQMTDMSA-N 1 0 472.612 -0.319 20 0 JBADRO CC[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC001514168444 1068672872 /nfs/dbraw/zinc/67/28/72/1068672872.db2.gz WKQSQAGDTXYITE-WWNBULGVSA-N 1 0 472.612 -0.319 20 0 JBADRO CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001514441030 1068675062 /nfs/dbraw/zinc/67/50/62/1068675062.db2.gz AMWPPLCLSPKBLX-IBGZPJMESA-N 1 0 476.626 -0.058 20 0 JBADRO CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001514441031 1068674905 /nfs/dbraw/zinc/67/49/05/1068674905.db2.gz AMWPPLCLSPKBLX-LJQANCHMSA-N 1 0 476.626 -0.058 20 0 JBADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001514612460 1068675958 /nfs/dbraw/zinc/67/59/58/1068675958.db2.gz XSHSQYCCQPXBEA-BXWFABGCSA-N 1 0 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20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001515564571 1068691238 /nfs/dbraw/zinc/69/12/38/1068691238.db2.gz YKKCIQIGYLFWOG-PNLZDCPESA-N 1 0 463.583 -0.241 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC1 ZINC001515564722 1068690917 /nfs/dbraw/zinc/69/09/17/1068690917.db2.gz WZRXJQDLUZZFMZ-MOPGFXCFSA-N 1 0 476.626 -0.060 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001515564724 1068691201 /nfs/dbraw/zinc/69/12/01/1068691201.db2.gz WZRXJQDLUZZFMZ-OALUTQOASA-N 1 0 476.626 -0.060 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001515564725 1068691089 /nfs/dbraw/zinc/69/10/89/1068691089.db2.gz WZRXJQDLUZZFMZ-RBUKOAKNSA-N 1 0 476.626 -0.060 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC[C@H]2C)CC1 ZINC001515564726 1068690871 /nfs/dbraw/zinc/69/08/71/1068690871.db2.gz WZRXJQDLUZZFMZ-RTBURBONSA-N 1 0 476.626 -0.060 20 0 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JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC001515935338 1068708859 /nfs/dbraw/zinc/70/88/59/1068708859.db2.gz COESWXQAZHFNBY-LJQANCHMSA-N 1 0 476.626 -0.632 20 0 JBADRO CC[NH+]1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001515936541 1068709479 /nfs/dbraw/zinc/70/94/79/1068709479.db2.gz COIZRQZHJKSQED-MSOLQXFVSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001515936547 1068709128 /nfs/dbraw/zinc/70/91/28/1068709128.db2.gz COIZRQZHJKSQED-QZTJIDSGSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001515936551 1068709331 /nfs/dbraw/zinc/70/93/31/1068709331.db2.gz COIZRQZHJKSQED-ROUUACIJSA-N 1 0 467.640 -0.091 20 0 JBADRO CC[NH+]1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001515936554 1068710301 /nfs/dbraw/zinc/71/03/01/1068710301.db2.gz COIZRQZHJKSQED-ZWKOTPCHSA-N 1 0 467.640 -0.091 20 0 JBADRO 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JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001517503453 1068783609 /nfs/dbraw/zinc/78/36/09/1068783609.db2.gz BPVKXTRWZXCORP-HZPDHXFCSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001517503457 1068783589 /nfs/dbraw/zinc/78/35/89/1068783589.db2.gz BPVKXTRWZXCORP-JKSUJKDBSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)C1 ZINC001517510897 1068784209 /nfs/dbraw/zinc/78/42/09/1068784209.db2.gz AMKOVYUXLJGBAS-DLBZAZTESA-N 1 0 469.612 -0.331 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)C1 ZINC001517510902 1068784257 /nfs/dbraw/zinc/78/42/57/1068784257.db2.gz AMKOVYUXLJGBAS-IAGOWNOFSA-N 1 0 469.612 -0.331 20 0 JBADRO CNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)C1 ZINC001517510908 1068784251 /nfs/dbraw/zinc/78/42/51/1068784251.db2.gz AMKOVYUXLJGBAS-IRXDYDNUSA-N 1 0 469.612 -0.331 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)C1 ZINC001517510913 1068784104 /nfs/dbraw/zinc/78/41/04/1068784104.db2.gz AMKOVYUXLJGBAS-SJORKVTESA-N 1 0 469.612 -0.331 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001517518967 1068784651 /nfs/dbraw/zinc/78/46/51/1068784651.db2.gz XINAMPLJYSYIJB-FGTMMUONSA-N 1 0 468.624 -0.011 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001517518969 1068784690 /nfs/dbraw/zinc/78/46/90/1068784690.db2.gz XINAMPLJYSYIJB-KURKYZTESA-N 1 0 468.624 -0.011 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001517518971 1068784771 /nfs/dbraw/zinc/78/47/71/1068784771.db2.gz XINAMPLJYSYIJB-KZNAEPCWSA-N 1 0 468.624 -0.011 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001517518973 1068784599 /nfs/dbraw/zinc/78/45/99/1068784599.db2.gz XINAMPLJYSYIJB-SQNIBIBYSA-N 1 0 468.624 -0.011 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCOCC2)CC1 ZINC001517524051 1068785198 /nfs/dbraw/zinc/78/51/98/1068785198.db2.gz ZUICLNHWTGWFOP-INIZCTEOSA-N 1 0 471.628 -0.037 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCOCC2)CC1 ZINC001517524054 1068785142 /nfs/dbraw/zinc/78/51/42/1068785142.db2.gz ZUICLNHWTGWFOP-MRXNPFEDSA-N 1 0 471.628 -0.037 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C(C)C)CC1 ZINC001517528664 1068785232 /nfs/dbraw/zinc/78/52/32/1068785232.db2.gz ULQSOEOYQRWNMD-KRWDZBQOSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C(C)C)CC1 ZINC001517528667 1068785332 /nfs/dbraw/zinc/78/53/32/1068785332.db2.gz ULQSOEOYQRWNMD-QGZVFWFLSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001517532144 1068785803 /nfs/dbraw/zinc/78/58/03/1068785803.db2.gz CBDWOXDFJCIQHY-CVEARBPZSA-N 1 0 459.617 -0.042 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001517532145 1068785862 /nfs/dbraw/zinc/78/58/62/1068785862.db2.gz CBDWOXDFJCIQHY-HOTGVXAUSA-N 1 0 459.617 -0.042 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001517532146 1068785820 /nfs/dbraw/zinc/78/58/20/1068785820.db2.gz CBDWOXDFJCIQHY-HZPDHXFCSA-N 1 0 459.617 -0.042 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001517532147 1068786392 /nfs/dbraw/zinc/78/63/92/1068786392.db2.gz CBDWOXDFJCIQHY-JKSUJKDBSA-N 1 0 459.617 -0.042 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC001517532933 1068786369 /nfs/dbraw/zinc/78/63/69/1068786369.db2.gz DWOIVADDTSARSV-DLBZAZTESA-N 1 0 499.638 -0.516 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC001517532936 1068786277 /nfs/dbraw/zinc/78/62/77/1068786277.db2.gz DWOIVADDTSARSV-IAGOWNOFSA-N 1 0 499.638 -0.516 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC001517532938 1068786257 /nfs/dbraw/zinc/78/62/57/1068786257.db2.gz DWOIVADDTSARSV-IRXDYDNUSA-N 1 0 499.638 -0.516 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC001517532940 1068786446 /nfs/dbraw/zinc/78/64/46/1068786446.db2.gz DWOIVADDTSARSV-SJORKVTESA-N 1 0 499.638 -0.516 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001517533847 1068786433 /nfs/dbraw/zinc/78/64/33/1068786433.db2.gz HKUZKDFOGBAQOZ-CVEARBPZSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001517533851 1068786245 /nfs/dbraw/zinc/78/62/45/1068786245.db2.gz HKUZKDFOGBAQOZ-HOTGVXAUSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001517533855 1068786287 /nfs/dbraw/zinc/78/62/87/1068786287.db2.gz HKUZKDFOGBAQOZ-HZPDHXFCSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001517533858 1068786300 /nfs/dbraw/zinc/78/63/00/1068786300.db2.gz HKUZKDFOGBAQOZ-JKSUJKDBSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001517533942 1068786217 /nfs/dbraw/zinc/78/62/17/1068786217.db2.gz HRRHIZUSGVCPCL-BBWFWOEESA-N 1 0 471.628 -0.040 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001517533951 1068787036 /nfs/dbraw/zinc/78/70/36/1068787036.db2.gz HRRHIZUSGVCPCL-IKGGRYGDSA-N 1 0 471.628 -0.040 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001517533956 1068786975 /nfs/dbraw/zinc/78/69/75/1068786975.db2.gz HRRHIZUSGVCPCL-ULQDDVLXSA-N 1 0 471.628 -0.040 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001517533960 1068786916 /nfs/dbraw/zinc/78/69/16/1068786916.db2.gz HRRHIZUSGVCPCL-ZACQAIPSSA-N 1 0 471.628 -0.040 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001517535079 1068786964 /nfs/dbraw/zinc/78/69/64/1068786964.db2.gz KLDWHGMYVKXYNQ-DLBZAZTESA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001517535081 1068787498 /nfs/dbraw/zinc/78/74/98/1068787498.db2.gz KLDWHGMYVKXYNQ-IAGOWNOFSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001517535083 1068787386 /nfs/dbraw/zinc/78/73/86/1068787386.db2.gz KLDWHGMYVKXYNQ-IRXDYDNUSA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001517535085 1068787463 /nfs/dbraw/zinc/78/74/63/1068787463.db2.gz KLDWHGMYVKXYNQ-SJORKVTESA-N 1 0 471.628 -0.039 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001517537640 1068788080 /nfs/dbraw/zinc/78/80/80/1068788080.db2.gz TUVUPRVXYIXPTE-MSOLQXFVSA-N 1 0 467.615 -0.021 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001517537641 1068787945 /nfs/dbraw/zinc/78/79/45/1068787945.db2.gz TUVUPRVXYIXPTE-QZTJIDSGSA-N 1 0 467.615 -0.021 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001517537642 1068787842 /nfs/dbraw/zinc/78/78/42/1068787842.db2.gz TUVUPRVXYIXPTE-ROUUACIJSA-N 1 0 467.615 -0.021 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H](C)OCCOC)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001517537643 1068788028 /nfs/dbraw/zinc/78/80/28/1068788028.db2.gz TUVUPRVXYIXPTE-ZWKOTPCHSA-N 1 0 467.615 -0.021 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(=O)N(C)C)CCO1 ZINC001517543712 1068790703 /nfs/dbraw/zinc/79/07/03/1068790703.db2.gz HBFZXMGGLVPGCG-FQEVSTJZSA-N 1 0 484.605 -0.318 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(=O)N(C)C)CCO1 ZINC001517543715 1068790756 /nfs/dbraw/zinc/79/07/56/1068790756.db2.gz HBFZXMGGLVPGCG-HXUWFJFHSA-N 1 0 484.605 -0.318 20 0 JBADRO CNC(=O)CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001517552920 1068793460 /nfs/dbraw/zinc/79/34/60/1068793460.db2.gz FNLCTXCSLXMFIQ-DYESRHJHSA-N 1 0 499.638 -0.970 20 0 JBADRO CNC(=O)CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001517552925 1068793383 /nfs/dbraw/zinc/79/33/83/1068793383.db2.gz FNLCTXCSLXMFIQ-LAUBAEHRSA-N 1 0 499.638 -0.970 20 0 JBADRO CNC(=O)CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001517552926 1068793266 /nfs/dbraw/zinc/79/32/66/1068793266.db2.gz FNLCTXCSLXMFIQ-UTKZUKDTSA-N 1 0 499.638 -0.970 20 0 JBADRO CNC(=O)CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001517552928 1068793344 /nfs/dbraw/zinc/79/33/44/1068793344.db2.gz FNLCTXCSLXMFIQ-UWJYYQICSA-N 1 0 499.638 -0.970 20 0 JBADRO CNC(=O)CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001517571948 1068793816 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/nfs/dbraw/zinc/94/87/53/1068948753.db2.gz MZRXYVPPQWKCPY-QGZVFWFLSA-N 1 0 451.572 -0.178 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCc1cnn(C)n1 ZINC001541672641 1068948715 /nfs/dbraw/zinc/94/87/15/1068948715.db2.gz VBTIFFRSIQUSNH-UHFFFAOYSA-N 1 0 472.598 -0.078 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCS(C)(=O)=O ZINC001541672754 1068949377 /nfs/dbraw/zinc/94/93/77/1068949377.db2.gz YFZHGUQRHKJWJA-UHFFFAOYSA-N 1 0 455.585 -0.795 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541672998 1068949296 /nfs/dbraw/zinc/94/92/96/1068949296.db2.gz GHIMRDPBTFHVHC-FDDCHVKYSA-N 1 0 476.626 -0.384 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541672999 1068949361 /nfs/dbraw/zinc/94/93/61/1068949361.db2.gz GHIMRDPBTFHVHC-JPYJTQIMSA-N 1 0 476.626 -0.384 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541673000 1068949317 /nfs/dbraw/zinc/94/93/17/1068949317.db2.gz GHIMRDPBTFHVHC-MBSDFSHPSA-N 1 0 476.626 -0.384 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541673001 1068949238 /nfs/dbraw/zinc/94/92/38/1068949238.db2.gz GHIMRDPBTFHVHC-WZONZLPQSA-N 1 0 476.626 -0.384 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541673486 1068949397 /nfs/dbraw/zinc/94/93/97/1068949397.db2.gz TULBVXCQMRWEGM-AOMKIAJQSA-N 1 0 462.599 -0.728 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541673487 1068949273 /nfs/dbraw/zinc/94/92/73/1068949273.db2.gz TULBVXCQMRWEGM-KSFYIVLOSA-N 1 0 462.599 -0.728 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541673488 1068949335 /nfs/dbraw/zinc/94/93/35/1068949335.db2.gz TULBVXCQMRWEGM-OPAMFIHVSA-N 1 0 462.599 -0.728 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541673489 1068949873 /nfs/dbraw/zinc/94/98/73/1068949873.db2.gz TULBVXCQMRWEGM-ZHRRBRCNSA-N 1 0 462.599 -0.728 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541674572 1068949799 /nfs/dbraw/zinc/94/97/99/1068949799.db2.gz FYAVOQVFVVUOQW-KRWDZBQOSA-N 1 0 473.582 -0.150 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541674573 1068949853 /nfs/dbraw/zinc/94/98/53/1068949853.db2.gz FYAVOQVFVVUOQW-QGZVFWFLSA-N 1 0 473.582 -0.150 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001541676115 1068949865 /nfs/dbraw/zinc/94/98/65/1068949865.db2.gz IFINEGIHYCOPNO-UHFFFAOYSA-N 1 0 476.626 -0.336 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC(=O)N1CCOCC1 ZINC001541676352 1068950252 /nfs/dbraw/zinc/95/02/52/1068950252.db2.gz QZSDIUSWNWDDHV-QGZVFWFLSA-N 1 0 463.583 -0.035 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001541677617 1068950329 /nfs/dbraw/zinc/95/03/29/1068950329.db2.gz FMZRAZNWZOMCSZ-UHFFFAOYSA-N 1 0 484.671 -0.229 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001541677817 1068950856 /nfs/dbraw/zinc/95/08/56/1068950856.db2.gz KVMBRHOQLQHFNG-INIZCTEOSA-N 1 0 460.583 -0.315 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001541677818 1068950739 /nfs/dbraw/zinc/95/07/39/1068950739.db2.gz KVMBRHOQLQHFNG-MRXNPFEDSA-N 1 0 460.583 -0.315 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001541678170 1068950777 /nfs/dbraw/zinc/95/07/77/1068950777.db2.gz SQJYTEQPQOCKQM-DLBZAZTESA-N 1 0 460.583 -0.316 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001541678171 1068950880 /nfs/dbraw/zinc/95/08/80/1068950880.db2.gz SQJYTEQPQOCKQM-IAGOWNOFSA-N 1 0 460.583 -0.316 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001541678172 1068950823 /nfs/dbraw/zinc/95/08/23/1068950823.db2.gz SQJYTEQPQOCKQM-IRXDYDNUSA-N 1 0 460.583 -0.316 20 0 JBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001541678173 1068950752 /nfs/dbraw/zinc/95/07/52/1068950752.db2.gz SQJYTEQPQOCKQM-SJORKVTESA-N 1 0 460.583 -0.316 20 0 JBADRO CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001541696844 1068952151 /nfs/dbraw/zinc/95/21/51/1068952151.db2.gz LFUWXDVIIWJYNB-KRWDZBQOSA-N 1 0 460.583 -0.219 20 0 JBADRO CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001541696845 1068952243 /nfs/dbraw/zinc/95/22/43/1068952243.db2.gz LFUWXDVIIWJYNB-QGZVFWFLSA-N 1 0 460.583 -0.219 20 0 JBADRO CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001541697239 1068952128 /nfs/dbraw/zinc/95/21/28/1068952128.db2.gz ASWSNVSFVIAYEH-DLBZAZTESA-N 1 0 471.628 -0.039 20 0 JBADRO CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001541697240 1068952174 /nfs/dbraw/zinc/95/21/74/1068952174.db2.gz ASWSNVSFVIAYEH-IAGOWNOFSA-N 1 0 471.628 -0.039 20 0 JBADRO CC(C)NC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)CC1 ZINC001541703937 1068952737 /nfs/dbraw/zinc/95/27/37/1068952737.db2.gz DHPDSEOOLMXAAL-KRWDZBQOSA-N 1 0 470.644 -0.369 20 0 JBADRO CC(C)NC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)CC1 ZINC001541703938 1068952665 /nfs/dbraw/zinc/95/26/65/1068952665.db2.gz DHPDSEOOLMXAAL-QGZVFWFLSA-N 1 0 470.644 -0.369 20 0 JBADRO CC(C)NC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001541705837 1068953650 /nfs/dbraw/zinc/95/36/50/1068953650.db2.gz RMDUBJJQYBKPIQ-HSZRJFAPSA-N 1 0 456.595 -0.023 20 0 JBADRO CC(C)NC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001541705838 1068953731 /nfs/dbraw/zinc/95/37/31/1068953731.db2.gz RMDUBJJQYBKPIQ-QHCPKHFHSA-N 1 0 456.595 -0.023 20 0 JBADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 ZINC001541708434 1068953692 /nfs/dbraw/zinc/95/36/92/1068953692.db2.gz ANGRENSUFFXLES-MSOLQXFVSA-N 1 0 472.612 -0.007 20 0 JBADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2COCCO2)CC1 ZINC001541708435 1068953715 /nfs/dbraw/zinc/95/37/15/1068953715.db2.gz ANGRENSUFFXLES-QZTJIDSGSA-N 1 0 472.612 -0.007 20 0 JBADRO CC(C)NS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001541711895 1068954136 /nfs/dbraw/zinc/95/41/36/1068954136.db2.gz IRHAUANFRVHEAR-DLBZAZTESA-N 1 0 469.612 -0.285 20 0 JBADRO CC(C)NS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001541711896 1068954177 /nfs/dbraw/zinc/95/41/77/1068954177.db2.gz IRHAUANFRVHEAR-IAGOWNOFSA-N 1 0 469.612 -0.285 20 0 JBADRO CC(C)NS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001541711897 1068954107 /nfs/dbraw/zinc/95/41/07/1068954107.db2.gz IRHAUANFRVHEAR-IRXDYDNUSA-N 1 0 469.612 -0.285 20 0 JBADRO CC(C)NS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001541711898 1068954165 /nfs/dbraw/zinc/95/41/65/1068954165.db2.gz IRHAUANFRVHEAR-SJORKVTESA-N 1 0 469.612 -0.285 20 0 JBADRO CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001541713979 1068955062 /nfs/dbraw/zinc/95/50/62/1068955062.db2.gz MESDVTCPGWVYSJ-GOSISDBHSA-N 1 0 483.639 -0.113 20 0 JBADRO CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001541713980 1068955117 /nfs/dbraw/zinc/95/51/17/1068955117.db2.gz MESDVTCPGWVYSJ-SFHVURJKSA-N 1 0 483.639 -0.113 20 0 JBADRO CC(C)O[C@]1(c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001541727540 1068955001 /nfs/dbraw/zinc/95/50/01/1068955001.db2.gz SRJQMLVLUUERDO-LEWJYISDSA-N 1 0 486.639 -0.097 20 0 JBADRO CC(C)O[C@]1(c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001541727541 1068955053 /nfs/dbraw/zinc/95/50/53/1068955053.db2.gz SRJQMLVLUUERDO-NHCUHLMSSA-N 1 0 486.639 -0.097 20 0 JBADRO CC(C)O[C@@]1(c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001541727542 1068955094 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1068957370 /nfs/dbraw/zinc/95/73/70/1068957370.db2.gz KPQXSDAJPNPAOS-WIYYLYMNSA-N 1 0 486.639 -0.275 20 0 JBADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541812771 1068957851 /nfs/dbraw/zinc/95/78/51/1068957851.db2.gz JWCTYIHGAFQXMJ-CVEARBPZSA-N 1 0 455.629 -0.094 20 0 JBADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541812772 1068957909 /nfs/dbraw/zinc/95/79/09/1068957909.db2.gz JWCTYIHGAFQXMJ-HOTGVXAUSA-N 1 0 455.629 -0.094 20 0 JBADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541812773 1068958060 /nfs/dbraw/zinc/95/80/60/1068958060.db2.gz JWCTYIHGAFQXMJ-HZPDHXFCSA-N 1 0 455.629 -0.094 20 0 JBADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541812774 1068958027 /nfs/dbraw/zinc/95/80/27/1068958027.db2.gz JWCTYIHGAFQXMJ-JKSUJKDBSA-N 1 0 455.629 -0.094 20 0 JBADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541833881 1068957938 /nfs/dbraw/zinc/95/79/38/1068957938.db2.gz MVXPITZNTLJBML-GOSISDBHSA-N 1 0 485.593 -0.144 20 0 JBADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001541833882 1068957871 /nfs/dbraw/zinc/95/78/71/1068957871.db2.gz MVXPITZNTLJBML-SFHVURJKSA-N 1 0 485.593 -0.144 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001541855263 1068958424 /nfs/dbraw/zinc/95/84/24/1068958424.db2.gz GEJCGPTYXMWFIU-CLCXKQKWSA-N 1 0 455.585 -0.580 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001541855264 1068958454 /nfs/dbraw/zinc/95/84/54/1068958454.db2.gz GEJCGPTYXMWFIU-SPYBWZPUSA-N 1 0 455.585 -0.580 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001541855265 1068958360 /nfs/dbraw/zinc/95/83/60/1068958360.db2.gz GEJCGPTYXMWFIU-VCBZYWHSSA-N 1 0 455.585 -0.580 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001541855266 1068958410 /nfs/dbraw/zinc/95/84/10/1068958410.db2.gz GEJCGPTYXMWFIU-ZRGWGRIASA-N 1 0 455.585 -0.580 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001541855855 1068958494 /nfs/dbraw/zinc/95/84/94/1068958494.db2.gz NNAUPXLJBPTCSE-NHAYFPRASA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001541855856 1068958448 /nfs/dbraw/zinc/95/84/48/1068958448.db2.gz NNAUPXLJBPTCSE-PDOICOKGSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001541855857 1068958381 /nfs/dbraw/zinc/95/83/81/1068958381.db2.gz NNAUPXLJBPTCSE-WWNBULGVSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001541855858 1068958486 /nfs/dbraw/zinc/95/84/86/1068958486.db2.gz NNAUPXLJBPTCSE-YLAKUSLOSA-N 1 0 472.612 -0.055 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)[N@H+](C)C1CC1 ZINC001541855873 1068958474 /nfs/dbraw/zinc/95/84/74/1068958474.db2.gz NRNUSIZZWMCBAG-PBHICJAKSA-N 1 0 469.612 -0.205 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)[N@H+](C)C1CC1 ZINC001541855874 1068958497 /nfs/dbraw/zinc/95/84/97/1068958497.db2.gz NRNUSIZZWMCBAG-RHSMWYFYSA-N 1 0 469.612 -0.205 20 0 JBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)[N@H+](C)C1CC1 ZINC001541855875 1068958400 /nfs/dbraw/zinc/95/84/00/1068958400.db2.gz NRNUSIZZWMCBAG-WMLDXEAASA-N 1 0 469.612 -0.205 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)[N@H+](C)C1CC1 ZINC001541855876 1068958364 /nfs/dbraw/zinc/95/83/64/1068958364.db2.gz NRNUSIZZWMCBAG-YOEHRIQHSA-N 1 0 469.612 -0.205 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001541855877 1068958461 /nfs/dbraw/zinc/95/84/61/1068958461.db2.gz NSCUKCVBNHZQOO-GDBMZVCRSA-N 1 0 473.600 -0.968 20 0 JBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001541855878 1068958415 /nfs/dbraw/zinc/95/84/15/1068958415.db2.gz NSCUKCVBNHZQOO-GOEBONIOSA-N 1 0 473.600 -0.968 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001541855879 1068958465 /nfs/dbraw/zinc/95/84/65/1068958465.db2.gz NSCUKCVBNHZQOO-HOCLYGCPSA-N 1 0 473.600 -0.968 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001541855880 1068958898 /nfs/dbraw/zinc/95/88/98/1068958898.db2.gz NSCUKCVBNHZQOO-ZBFHGGJFSA-N 1 0 473.600 -0.968 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1)[NH+](C)C ZINC001541855981 1068959019 /nfs/dbraw/zinc/95/90/19/1068959019.db2.gz OZLNLWCDDXWVHQ-GDBMZVCRSA-N 1 0 457.601 -0.347 20 0 JBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1)[NH+](C)C ZINC001541855982 1068958934 /nfs/dbraw/zinc/95/89/34/1068958934.db2.gz OZLNLWCDDXWVHQ-GOEBONIOSA-N 1 0 457.601 -0.347 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1)[NH+](C)C ZINC001541855983 1068958793 /nfs/dbraw/zinc/95/87/93/1068958793.db2.gz OZLNLWCDDXWVHQ-HOCLYGCPSA-N 1 0 457.601 -0.347 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1)[NH+](C)C ZINC001541855984 1068958832 /nfs/dbraw/zinc/95/88/32/1068958832.db2.gz OZLNLWCDDXWVHQ-ZBFHGGJFSA-N 1 0 457.601 -0.347 20 0 JBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1)[N@H+](C)C1CC1 ZINC001541856335 1068958840 /nfs/dbraw/zinc/95/88/40/1068958840.db2.gz UTASEBHVQSPHTG-CVEARBPZSA-N 1 0 454.597 -0.042 20 0 JBADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1)[N@H+](C)C1CC1 ZINC001541856336 1068958771 /nfs/dbraw/zinc/95/87/71/1068958771.db2.gz UTASEBHVQSPHTG-HOTGVXAUSA-N 1 0 454.597 -0.042 20 0 JBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1)[N@H+](C)C1CC1 ZINC001541856337 1068958956 /nfs/dbraw/zinc/95/89/56/1068958956.db2.gz UTASEBHVQSPHTG-HZPDHXFCSA-N 1 0 454.597 -0.042 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1)[N@H+](C)C1CC1 ZINC001541856338 1068958906 /nfs/dbraw/zinc/95/89/06/1068958906.db2.gz UTASEBHVQSPHTG-JKSUJKDBSA-N 1 0 454.597 -0.042 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+](C)C ZINC001541856439 1068959459 /nfs/dbraw/zinc/95/94/59/1068959459.db2.gz VVJYJQLUEQWKIZ-CLCXKQKWSA-N 1 0 471.584 -0.408 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+](C)C ZINC001541856440 1068959509 /nfs/dbraw/zinc/95/95/09/1068959509.db2.gz VVJYJQLUEQWKIZ-SPYBWZPUSA-N 1 0 471.584 -0.408 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+](C)C ZINC001541856441 1068959404 /nfs/dbraw/zinc/95/94/04/1068959404.db2.gz VVJYJQLUEQWKIZ-VCBZYWHSSA-N 1 0 471.584 -0.408 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+](C)C ZINC001541856442 1068959347 /nfs/dbraw/zinc/95/93/47/1068959347.db2.gz VVJYJQLUEQWKIZ-ZRGWGRIASA-N 1 0 471.584 -0.408 20 0 JBADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001541862001 1068959522 /nfs/dbraw/zinc/95/95/22/1068959522.db2.gz ZGVDHAFJNAYPET-GOSISDBHSA-N 1 0 470.578 -0.279 20 0 JBADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001541862002 1068959483 /nfs/dbraw/zinc/95/94/83/1068959483.db2.gz ZGVDHAFJNAYPET-SFHVURJKSA-N 1 0 470.578 -0.279 20 0 JBADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)[NH+](C)C ZINC001541865029 1068959519 /nfs/dbraw/zinc/95/95/19/1068959519.db2.gz HNRWDFKNBAQQFF-INIZCTEOSA-N 1 0 480.595 -0.009 20 0 JBADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1)[NH+](C)C ZINC001541865030 1068959502 /nfs/dbraw/zinc/95/95/02/1068959502.db2.gz HNRWDFKNBAQQFF-MRXNPFEDSA-N 1 0 480.595 -0.009 20 0 JBADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541865735 1068959451 /nfs/dbraw/zinc/95/94/51/1068959451.db2.gz VSFXTBSPGCXDFA-KRWDZBQOSA-N 1 0 460.583 -0.378 20 0 JBADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541865736 1068959497 /nfs/dbraw/zinc/95/94/97/1068959497.db2.gz VSFXTBSPGCXDFA-QGZVFWFLSA-N 1 0 460.583 -0.378 20 0 JBADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1)C[NH+]1CCCC1 ZINC001541872221 1068959421 /nfs/dbraw/zinc/95/94/21/1068959421.db2.gz SSMIFSWPUGLAFS-BZUAXINKSA-N 1 0 454.601 -0.166 20 0 JBADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1)C[NH+]1CCCC1 ZINC001541872222 1068959398 /nfs/dbraw/zinc/95/93/98/1068959398.db2.gz SSMIFSWPUGLAFS-OAGGEKHMSA-N 1 0 454.601 -0.166 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1)C[NH+]1CCCC1 ZINC001541872223 1068959442 /nfs/dbraw/zinc/95/94/42/1068959442.db2.gz SSMIFSWPUGLAFS-OWCLPIDISA-N 1 0 454.601 -0.166 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1)C[NH+]1CCCC1 ZINC001541872224 1068959467 /nfs/dbraw/zinc/95/94/67/1068959467.db2.gz SSMIFSWPUGLAFS-PMPSAXMXSA-N 1 0 454.601 -0.166 20 0 JBADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCCC1 ZINC001541891165 1068960335 /nfs/dbraw/zinc/96/03/35/1068960335.db2.gz GCGJKCUHLQXHQM-DLBZAZTESA-N 1 0 492.668 -0.034 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCCC1 ZINC001541891166 1068960420 /nfs/dbraw/zinc/96/04/20/1068960420.db2.gz GCGJKCUHLQXHQM-IAGOWNOFSA-N 1 0 492.668 -0.034 20 0 JBADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCCC1 ZINC001541891167 1068960535 /nfs/dbraw/zinc/96/05/35/1068960535.db2.gz GCGJKCUHLQXHQM-IRXDYDNUSA-N 1 0 492.668 -0.034 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCCC1 ZINC001541891168 1068960376 /nfs/dbraw/zinc/96/03/76/1068960376.db2.gz GCGJKCUHLQXHQM-SJORKVTESA-N 1 0 492.668 -0.034 20 0 JBADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541908397 1068960938 /nfs/dbraw/zinc/96/09/38/1068960938.db2.gz NIRMXVHNFYIIHR-CABCVRRESA-N 1 0 458.633 -0.386 20 0 JBADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541908398 1068960966 /nfs/dbraw/zinc/96/09/66/1068960966.db2.gz NIRMXVHNFYIIHR-GJZGRUSLSA-N 1 0 458.633 -0.386 20 0 JBADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541908399 1068960890 /nfs/dbraw/zinc/96/08/90/1068960890.db2.gz NIRMXVHNFYIIHR-HUUCEWRRSA-N 1 0 458.633 -0.386 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541908400 1068961456 /nfs/dbraw/zinc/96/14/56/1068961456.db2.gz NIRMXVHNFYIIHR-LSDHHAIUSA-N 1 0 458.633 -0.386 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1)[N@H+](C)C1CC1 ZINC001541910207 1068961975 /nfs/dbraw/zinc/96/19/75/1068961975.db2.gz SFPVAUIVEPZLQM-CABCVRRESA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1)[N@H+](C)C1CC1 ZINC001541910208 1068961895 /nfs/dbraw/zinc/96/18/95/1068961895.db2.gz SFPVAUIVEPZLQM-GJZGRUSLSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1)[N@H+](C)C1CC1 ZINC001541910209 1068961909 /nfs/dbraw/zinc/96/19/09/1068961909.db2.gz SFPVAUIVEPZLQM-HUUCEWRRSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001541910210 1068961913 /nfs/dbraw/zinc/96/19/13/1068961913.db2.gz SFPVAUIVEPZLQM-LSDHHAIUSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541918193 1068963331 /nfs/dbraw/zinc/96/33/31/1068963331.db2.gz PBQXBLNDLYIUKM-IKGGRYGDSA-N 1 0 498.654 -0.502 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541918194 1068963400 /nfs/dbraw/zinc/96/34/00/1068963400.db2.gz PBQXBLNDLYIUKM-IXDOHACOSA-N 1 0 498.654 -0.502 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541918195 1068963443 /nfs/dbraw/zinc/96/34/43/1068963443.db2.gz PBQXBLNDLYIUKM-ULQDDVLXSA-N 1 0 498.654 -0.502 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541918196 1068963493 /nfs/dbraw/zinc/96/34/93/1068963493.db2.gz PBQXBLNDLYIUKM-YESZJQIVSA-N 1 0 498.654 -0.502 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001541918353 1068963466 /nfs/dbraw/zinc/96/34/66/1068963466.db2.gz RNYNKFVYIIOERC-CABCVRRESA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001541918354 1068963460 /nfs/dbraw/zinc/96/34/60/1068963460.db2.gz RNYNKFVYIIOERC-GJZGRUSLSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001541918355 1068963380 /nfs/dbraw/zinc/96/33/80/1068963380.db2.gz RNYNKFVYIIOERC-HUUCEWRRSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001541918356 1068963904 /nfs/dbraw/zinc/96/39/04/1068963904.db2.gz RNYNKFVYIIOERC-LSDHHAIUSA-N 1 0 457.601 -0.334 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001541918497 1068963887 /nfs/dbraw/zinc/96/38/87/1068963887.db2.gz UNCJRURDIOTGOL-CVEARBPZSA-N 1 0 471.628 -0.210 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001541918498 1068963910 /nfs/dbraw/zinc/96/39/10/1068963910.db2.gz UNCJRURDIOTGOL-HOTGVXAUSA-N 1 0 471.628 -0.210 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001541918499 1068963809 /nfs/dbraw/zinc/96/38/09/1068963809.db2.gz UNCJRURDIOTGOL-HZPDHXFCSA-N 1 0 471.628 -0.210 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001541918500 1068963859 /nfs/dbraw/zinc/96/38/59/1068963859.db2.gz UNCJRURDIOTGOL-JKSUJKDBSA-N 1 0 471.628 -0.210 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001541920373 1068964242 /nfs/dbraw/zinc/96/42/42/1068964242.db2.gz XOPHARWFUCXMEN-FJIDUMEYSA-N 1 0 483.639 -0.160 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001541920374 1068964225 /nfs/dbraw/zinc/96/42/25/1068964225.db2.gz XOPHARWFUCXMEN-WNRNVDISSA-N 1 0 483.639 -0.160 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001541920375 1068964309 /nfs/dbraw/zinc/96/43/09/1068964309.db2.gz XOPHARWFUCXMEN-XLAORIBOSA-N 1 0 483.639 -0.160 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001541920376 1068964339 /nfs/dbraw/zinc/96/43/39/1068964339.db2.gz XOPHARWFUCXMEN-XSLAGTTESA-N 1 0 483.639 -0.160 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541922753 1068964609 /nfs/dbraw/zinc/96/46/09/1068964609.db2.gz NMOOLVRWXSTMOX-DBVUQKKJSA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541922754 1068964541 /nfs/dbraw/zinc/96/45/41/1068964541.db2.gz NMOOLVRWXSTMOX-FFZOFVMBSA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541922755 1068964752 /nfs/dbraw/zinc/96/47/52/1068964752.db2.gz NMOOLVRWXSTMOX-PWIZWCRZSA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541922756 1068964777 /nfs/dbraw/zinc/96/47/77/1068964777.db2.gz NMOOLVRWXSTMOX-VDGAXYAQSA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541926967 1068965655 /nfs/dbraw/zinc/96/56/55/1068965655.db2.gz BOIBDXWBCFPJIM-BZSNNMDCSA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541926968 1068965678 /nfs/dbraw/zinc/96/56/78/1068965678.db2.gz BOIBDXWBCFPJIM-KSZLIROESA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001541926969 1068965594 /nfs/dbraw/zinc/96/55/94/1068965594.db2.gz BOIBDXWBCFPJIM-OKZBNKHCSA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001541926970 1068965615 /nfs/dbraw/zinc/96/56/15/1068965615.db2.gz BOIBDXWBCFPJIM-RCCFBDPRSA-N 1 0 483.639 -0.064 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541927081 1068965738 /nfs/dbraw/zinc/96/57/38/1068965738.db2.gz DMHPVZLPLTVOFM-DOXZYTNZSA-N 1 0 455.585 -0.844 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541927082 1068965697 /nfs/dbraw/zinc/96/56/97/1068965697.db2.gz DMHPVZLPLTVOFM-KHYOSLBOSA-N 1 0 455.585 -0.844 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541927083 1068965586 /nfs/dbraw/zinc/96/55/86/1068965586.db2.gz DMHPVZLPLTVOFM-QMTMVMCOSA-N 1 0 455.585 -0.844 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541927084 1068965608 /nfs/dbraw/zinc/96/56/08/1068965608.db2.gz DMHPVZLPLTVOFM-YZVOILCLSA-N 1 0 455.585 -0.844 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541927663 1068965747 /nfs/dbraw/zinc/96/57/47/1068965747.db2.gz OGILQAZBKQOSEM-AEFFLSMTSA-N 1 0 472.612 -0.148 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541927664 1068965715 /nfs/dbraw/zinc/96/57/15/1068965715.db2.gz OGILQAZBKQOSEM-WMZOPIPTSA-N 1 0 472.612 -0.148 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541928507 1068966073 /nfs/dbraw/zinc/96/60/73/1068966073.db2.gz BZOPKDIIUBYWDT-DOMZBBRYSA-N 1 0 470.518 -0.152 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541928508 1068966199 /nfs/dbraw/zinc/96/61/99/1068966199.db2.gz BZOPKDIIUBYWDT-IUODEOHRSA-N 1 0 470.518 -0.152 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541928509 1068966159 /nfs/dbraw/zinc/96/61/59/1068966159.db2.gz BZOPKDIIUBYWDT-SWLSCSKDSA-N 1 0 470.518 -0.152 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541928510 1068966141 /nfs/dbraw/zinc/96/61/41/1068966141.db2.gz BZOPKDIIUBYWDT-WFASDCNBSA-N 1 0 470.518 -0.152 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001541929338 1068967072 /nfs/dbraw/zinc/96/70/72/1068967072.db2.gz QXNDCGQDUFFMNQ-AWEZNQCLSA-N 1 0 479.673 -0.006 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001541929339 1068966957 /nfs/dbraw/zinc/96/69/57/1068966957.db2.gz QXNDCGQDUFFMNQ-CQSZACIVSA-N 1 0 479.673 -0.006 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[NH+]1CCCC1 ZINC001541929420 1068967066 /nfs/dbraw/zinc/96/70/66/1068967066.db2.gz SBWZJZZZVJHPIE-HNNXBMFYSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC[NH+]1CCCC1 ZINC001541929421 1068966989 /nfs/dbraw/zinc/96/69/89/1068966989.db2.gz SBWZJZZZVJHPIE-OAHLLOKOSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541930110 1068967488 /nfs/dbraw/zinc/96/74/88/1068967488.db2.gz FSLXUXVZHFGLPL-CABCVRRESA-N 1 0 478.641 -0.378 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541930111 1068967375 /nfs/dbraw/zinc/96/73/75/1068967375.db2.gz FSLXUXVZHFGLPL-GJZGRUSLSA-N 1 0 478.641 -0.378 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541930112 1068967430 /nfs/dbraw/zinc/96/74/30/1068967430.db2.gz FSLXUXVZHFGLPL-HUUCEWRRSA-N 1 0 478.641 -0.378 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541930113 1068967517 /nfs/dbraw/zinc/96/75/17/1068967517.db2.gz FSLXUXVZHFGLPL-LSDHHAIUSA-N 1 0 478.641 -0.378 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[NH+]1CCCC1 ZINC001541934126 1068969118 /nfs/dbraw/zinc/96/91/18/1068969118.db2.gz URLZZYIMTFMFDT-AWEZNQCLSA-N 1 0 450.569 -0.360 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nn(C)c(=O)cc3C2)n1CC[NH+]1CCCC1 ZINC001541934127 1068969202 /nfs/dbraw/zinc/96/92/02/1068969202.db2.gz URLZZYIMTFMFDT-CQSZACIVSA-N 1 0 450.569 -0.360 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001541935160 1068969048 /nfs/dbraw/zinc/96/90/48/1068969048.db2.gz KUCLQHXALUKBBW-BXWFABGCSA-N 1 0 490.652 -0.498 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001541935161 1068969173 /nfs/dbraw/zinc/96/91/73/1068969173.db2.gz KUCLQHXALUKBBW-FCEWJHQRSA-N 1 0 490.652 -0.498 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001541935162 1068969209 /nfs/dbraw/zinc/96/92/09/1068969209.db2.gz KUCLQHXALUKBBW-FRQCXROJSA-N 1 0 490.652 -0.498 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001541935163 1068969108 /nfs/dbraw/zinc/96/91/08/1068969108.db2.gz KUCLQHXALUKBBW-TXPKVOOTSA-N 1 0 490.652 -0.498 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001541936146 1068969588 /nfs/dbraw/zinc/96/95/88/1068969588.db2.gz YDXKWZAHBLVBKM-HZPDHXFCSA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001541936147 1068969470 /nfs/dbraw/zinc/96/94/70/1068969470.db2.gz YDXKWZAHBLVBKM-JKSUJKDBSA-N 1 0 457.601 -0.298 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCCCC1 ZINC001541939748 1068969560 /nfs/dbraw/zinc/96/95/60/1068969560.db2.gz DJYMAMQOUWNXPQ-INIZCTEOSA-N 1 0 477.657 -0.154 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCCCC1 ZINC001541939749 1068969417 /nfs/dbraw/zinc/96/94/17/1068969417.db2.gz DJYMAMQOUWNXPQ-MRXNPFEDSA-N 1 0 477.657 -0.154 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N(C)C ZINC001541940157 1068969930 /nfs/dbraw/zinc/96/99/30/1068969930.db2.gz LEZGBVXOPUGBDX-HNNXBMFYSA-N 1 0 467.600 -0.578 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N(C)C ZINC001541940158 1068969953 /nfs/dbraw/zinc/96/99/53/1068969953.db2.gz LEZGBVXOPUGBDX-OAHLLOKOSA-N 1 0 467.600 -0.578 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001541940209 1068969978 /nfs/dbraw/zinc/96/99/78/1068969978.db2.gz MMIGDVSEPRSWHS-KRWDZBQOSA-N 1 0 496.638 -0.745 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC1 ZINC001541940210 1068969993 /nfs/dbraw/zinc/96/99/93/1068969993.db2.gz MMIGDVSEPRSWHS-QGZVFWFLSA-N 1 0 496.638 -0.745 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001541940233 1068969921 /nfs/dbraw/zinc/96/99/21/1068969921.db2.gz MTWVSZUIIVXHIQ-CVEARBPZSA-N 1 0 496.638 -0.700 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001541940234 1068969904 /nfs/dbraw/zinc/96/99/04/1068969904.db2.gz MTWVSZUIIVXHIQ-HOTGVXAUSA-N 1 0 496.638 -0.700 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001541940235 1068969968 /nfs/dbraw/zinc/96/99/68/1068969968.db2.gz MTWVSZUIIVXHIQ-HZPDHXFCSA-N 1 0 496.638 -0.700 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001541940236 1068970026 /nfs/dbraw/zinc/97/00/26/1068970026.db2.gz MTWVSZUIIVXHIQ-JKSUJKDBSA-N 1 0 496.638 -0.700 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541940389 1068970007 /nfs/dbraw/zinc/97/00/07/1068970007.db2.gz QINDKHZRIWCOHM-KBPBESRZSA-N 1 0 451.619 -0.690 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541940390 1068970441 /nfs/dbraw/zinc/97/04/41/1068970441.db2.gz QINDKHZRIWCOHM-KGLIPLIRSA-N 1 0 451.619 -0.690 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+](C)C ZINC001541940391 1068970507 /nfs/dbraw/zinc/97/05/07/1068970507.db2.gz QINDKHZRIWCOHM-UONOGXRCSA-N 1 0 451.619 -0.690 20 0 JBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001541940392 1068970489 /nfs/dbraw/zinc/97/04/89/1068970489.db2.gz QINDKHZRIWCOHM-ZIAGYGMSSA-N 1 0 451.619 -0.690 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541940595 1068970387 /nfs/dbraw/zinc/97/03/87/1068970387.db2.gz UXKPRKUEKQGWLE-HRAATJIYSA-N 1 0 492.606 -0.688 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541940596 1068970445 /nfs/dbraw/zinc/97/04/45/1068970445.db2.gz UXKPRKUEKQGWLE-IERDGZPVSA-N 1 0 492.606 -0.688 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541940597 1068970515 /nfs/dbraw/zinc/97/05/15/1068970515.db2.gz UXKPRKUEKQGWLE-IIBYNOLFSA-N 1 0 492.606 -0.688 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541940598 1068970406 /nfs/dbraw/zinc/97/04/06/1068970406.db2.gz UXKPRKUEKQGWLE-KKSFZXQISA-N 1 0 492.606 -0.688 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541940929 1068970899 /nfs/dbraw/zinc/97/08/99/1068970899.db2.gz BJDVXIVDKFFIOS-BZSNNMDCSA-N 1 0 484.671 -0.029 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541940930 1068970890 /nfs/dbraw/zinc/97/08/90/1068970890.db2.gz BJDVXIVDKFFIOS-FGTMMUONSA-N 1 0 484.671 -0.029 20 0 JBADRO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541940931 1068970988 /nfs/dbraw/zinc/97/09/88/1068970988.db2.gz BJDVXIVDKFFIOS-OKZBNKHCSA-N 1 0 484.671 -0.029 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541940932 1068971010 /nfs/dbraw/zinc/97/10/10/1068971010.db2.gz BJDVXIVDKFFIOS-SQNIBIBYSA-N 1 0 484.671 -0.029 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C ZINC001541941221 1068971345 /nfs/dbraw/zinc/97/13/45/1068971345.db2.gz GTXQOZHNNZCFMC-AWEZNQCLSA-N 1 0 465.646 -0.300 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C ZINC001541941222 1068971297 /nfs/dbraw/zinc/97/12/97/1068971297.db2.gz GTXQOZHNNZCFMC-CQSZACIVSA-N 1 0 465.646 -0.300 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001541941427 1068971355 /nfs/dbraw/zinc/97/13/55/1068971355.db2.gz KKTGRUWZVMDJKC-INIZCTEOSA-N 1 0 479.611 -0.402 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001541941428 1068971382 /nfs/dbraw/zinc/97/13/82/1068971382.db2.gz KKTGRUWZVMDJKC-MRXNPFEDSA-N 1 0 479.611 -0.402 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001541941527 1068971798 /nfs/dbraw/zinc/97/17/98/1068971798.db2.gz MAAYPEDXRQVYIJ-DLBZAZTESA-N 1 0 485.611 -0.952 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001541941528 1068971854 /nfs/dbraw/zinc/97/18/54/1068971854.db2.gz MAAYPEDXRQVYIJ-IAGOWNOFSA-N 1 0 485.611 -0.952 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCn1cccn1 ZINC001541941619 1068971845 /nfs/dbraw/zinc/97/18/45/1068971845.db2.gz NUCXRCUVOYMAFO-GOSISDBHSA-N 1 0 493.638 -0.081 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCn1cccn1 ZINC001541941620 1068971730 /nfs/dbraw/zinc/97/17/30/1068971730.db2.gz NUCXRCUVOYMAFO-SFHVURJKSA-N 1 0 493.638 -0.081 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541941691 1068971781 /nfs/dbraw/zinc/97/17/81/1068971781.db2.gz OXHHTRQFXGNTNZ-AEFFLSMTSA-N 1 0 498.654 -0.197 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541941692 1068971749 /nfs/dbraw/zinc/97/17/49/1068971749.db2.gz OXHHTRQFXGNTNZ-FUHWJXTLSA-N 1 0 498.654 -0.197 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541941693 1068971819 /nfs/dbraw/zinc/97/18/19/1068971819.db2.gz OXHHTRQFXGNTNZ-SJLPKXTDSA-N 1 0 498.654 -0.197 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541941694 1068971812 /nfs/dbraw/zinc/97/18/12/1068971812.db2.gz OXHHTRQFXGNTNZ-WMZOPIPTSA-N 1 0 498.654 -0.197 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCCCO ZINC001541941733 1068971769 /nfs/dbraw/zinc/97/17/69/1068971769.db2.gz PLJCHYNIDAHIJN-DLBZAZTESA-N 1 0 471.628 -0.206 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCCCO ZINC001541941734 1068971760 /nfs/dbraw/zinc/97/17/60/1068971760.db2.gz PLJCHYNIDAHIJN-IAGOWNOFSA-N 1 0 471.628 -0.206 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCCCO ZINC001541941735 1068971837 /nfs/dbraw/zinc/97/18/37/1068971837.db2.gz PLJCHYNIDAHIJN-IRXDYDNUSA-N 1 0 471.628 -0.206 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCCCO ZINC001541941736 1068972285 /nfs/dbraw/zinc/97/22/85/1068972285.db2.gz PLJCHYNIDAHIJN-SJORKVTESA-N 1 0 471.628 -0.206 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCc1cn[nH]c1 ZINC001541941965 1068972372 /nfs/dbraw/zinc/97/23/72/1068972372.db2.gz UPNMVMRYQBSAHC-DOTOQJQBSA-N 1 0 479.611 -0.403 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCc1cn[nH]c1 ZINC001541941966 1068972437 /nfs/dbraw/zinc/97/24/37/1068972437.db2.gz UPNMVMRYQBSAHC-NVXWUHKLSA-N 1 0 479.611 -0.403 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCc1cn[nH]c1 ZINC001541941967 1068972264 /nfs/dbraw/zinc/97/22/64/1068972264.db2.gz UPNMVMRYQBSAHC-RDJZCZTQSA-N 1 0 479.611 -0.403 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCc1cn[nH]c1 ZINC001541941968 1068972301 /nfs/dbraw/zinc/97/23/01/1068972301.db2.gz UPNMVMRYQBSAHC-WBVHZDCISA-N 1 0 479.611 -0.403 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCOCC(F)F ZINC001541942001 1068972397 /nfs/dbraw/zinc/97/23/97/1068972397.db2.gz VIERWVYDSFZYKY-CABCVRRESA-N 1 0 493.581 -0.087 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCOCC(F)F ZINC001541942002 1068972326 /nfs/dbraw/zinc/97/23/26/1068972326.db2.gz VIERWVYDSFZYKY-GJZGRUSLSA-N 1 0 493.581 -0.087 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCOCC(F)F ZINC001541942003 1068972244 /nfs/dbraw/zinc/97/22/44/1068972244.db2.gz VIERWVYDSFZYKY-HUUCEWRRSA-N 1 0 493.581 -0.087 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCOCC(F)F ZINC001541942004 1068972811 /nfs/dbraw/zinc/97/28/11/1068972811.db2.gz VIERWVYDSFZYKY-LSDHHAIUSA-N 1 0 493.581 -0.087 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541942181 1068972607 /nfs/dbraw/zinc/97/26/07/1068972607.db2.gz YVZDOUDAOQNOLB-DEYYWGMASA-N 1 0 459.642 -0.008 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001541942182 1068972692 /nfs/dbraw/zinc/97/26/92/1068972692.db2.gz YVZDOUDAOQNOLB-IYOUNJFTSA-N 1 0 459.642 -0.008 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541942183 1068972762 /nfs/dbraw/zinc/97/27/62/1068972762.db2.gz YVZDOUDAOQNOLB-PMUMKWKESA-N 1 0 459.642 -0.008 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001541942184 1068972756 /nfs/dbraw/zinc/97/27/56/1068972756.db2.gz YVZDOUDAOQNOLB-SUNYJGFJSA-N 1 0 459.642 -0.008 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001541942239 1068972671 /nfs/dbraw/zinc/97/26/71/1068972671.db2.gz ZSEMFBHPGFTJFI-KRWDZBQOSA-N 1 0 486.643 -0.197 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001541942240 1068972640 /nfs/dbraw/zinc/97/26/40/1068972640.db2.gz ZSEMFBHPGFTJFI-QGZVFWFLSA-N 1 0 486.643 -0.197 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC001541942261 1068973235 /nfs/dbraw/zinc/97/32/35/1068973235.db2.gz ZYMRLRLZSUPGSC-HRCADAONSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001541942262 1068973274 /nfs/dbraw/zinc/97/32/74/1068973274.db2.gz ZYMRLRLZSUPGSC-JYJNAYRXSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC001541942263 1068973145 /nfs/dbraw/zinc/97/31/45/1068973145.db2.gz ZYMRLRLZSUPGSC-OWCLPIDISA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001541942264 1068973162 /nfs/dbraw/zinc/97/31/62/1068973162.db2.gz ZYMRLRLZSUPGSC-PMPSAXMXSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541942847 1068973180 /nfs/dbraw/zinc/97/31/80/1068973180.db2.gz LMMILCVDWPAAEO-FOIQADDNSA-N 1 0 482.586 -0.184 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541942848 1068973682 /nfs/dbraw/zinc/97/36/82/1068973682.db2.gz LMMILCVDWPAAEO-MGPUTAFESA-N 1 0 482.586 -0.184 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541942849 1068973733 /nfs/dbraw/zinc/97/37/33/1068973733.db2.gz LMMILCVDWPAAEO-QRWLVFNGSA-N 1 0 482.586 -0.184 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541942850 1068973751 /nfs/dbraw/zinc/97/37/51/1068973751.db2.gz LMMILCVDWPAAEO-YWZLYKJASA-N 1 0 482.586 -0.184 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001541943311 1068973798 /nfs/dbraw/zinc/97/37/98/1068973798.db2.gz TYILKZAXLXDVFN-HNNXBMFYSA-N 1 0 467.600 -0.185 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001541943312 1068973763 /nfs/dbraw/zinc/97/37/63/1068973763.db2.gz TYILKZAXLXDVFN-OAHLLOKOSA-N 1 0 467.600 -0.185 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001541943855 1068974513 /nfs/dbraw/zinc/97/45/13/1068974513.db2.gz FSLPJOLRYNJGJW-KRWDZBQOSA-N 1 0 496.682 -0.027 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001541943856 1068974535 /nfs/dbraw/zinc/97/45/35/1068974535.db2.gz FSLPJOLRYNJGJW-QGZVFWFLSA-N 1 0 496.682 -0.027 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541943893 1068974569 /nfs/dbraw/zinc/97/45/69/1068974569.db2.gz GGJZTYYAKWEPKL-RDJZCZTQSA-N 1 0 458.585 -0.395 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541943894 1068974612 /nfs/dbraw/zinc/97/46/12/1068974612.db2.gz GGJZTYYAKWEPKL-WBVHZDCISA-N 1 0 458.585 -0.395 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541943927 1068974709 /nfs/dbraw/zinc/97/47/09/1068974709.db2.gz GVWQHMCDAPYOLS-DZGCQCFKSA-N 1 0 463.630 -0.690 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541943928 1068974523 /nfs/dbraw/zinc/97/45/23/1068974523.db2.gz GVWQHMCDAPYOLS-HIFRSBDPSA-N 1 0 463.630 -0.690 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001541943929 1068974640 /nfs/dbraw/zinc/97/46/40/1068974640.db2.gz GVWQHMCDAPYOLS-UKRRQHHQSA-N 1 0 463.630 -0.690 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001541943930 1068974659 /nfs/dbraw/zinc/97/46/59/1068974659.db2.gz GVWQHMCDAPYOLS-ZFWWWQNUSA-N 1 0 463.630 -0.690 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(=O)N1CCOCC1 ZINC001541944039 1068974685 /nfs/dbraw/zinc/97/46/85/1068974685.db2.gz IYEKJRZEBOGYAO-HNNXBMFYSA-N 1 0 455.585 -0.721 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(=O)N1CCOCC1 ZINC001541944040 1068975069 /nfs/dbraw/zinc/97/50/69/1068975069.db2.gz IYEKJRZEBOGYAO-OAHLLOKOSA-N 1 0 455.585 -0.721 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001541944185 1068975113 /nfs/dbraw/zinc/97/51/13/1068975113.db2.gz LHCRLCOBHHDDAI-INIZCTEOSA-N 1 0 458.633 -0.561 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001541944186 1068975147 /nfs/dbraw/zinc/97/51/47/1068975147.db2.gz LHCRLCOBHHDDAI-MRXNPFEDSA-N 1 0 458.633 -0.561 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001541944199 1068975061 /nfs/dbraw/zinc/97/50/61/1068975061.db2.gz LOJCHUIZURWPOU-HNNXBMFYSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001541944200 1068975014 /nfs/dbraw/zinc/97/50/14/1068975014.db2.gz LOJCHUIZURWPOU-OAHLLOKOSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001541944254 1068975135 /nfs/dbraw/zinc/97/51/35/1068975135.db2.gz MGUJXGSONXUKID-BODSMFSISA-N 1 0 474.653 -0.042 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001541944255 1068975031 /nfs/dbraw/zinc/97/50/31/1068975031.db2.gz MGUJXGSONXUKID-FUJBLVTHSA-N 1 0 474.653 -0.042 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001541944256 1068974973 /nfs/dbraw/zinc/97/49/73/1068974973.db2.gz MGUJXGSONXUKID-JDWNHOKZSA-N 1 0 474.653 -0.042 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001541944257 1068975083 /nfs/dbraw/zinc/97/50/83/1068975083.db2.gz MGUJXGSONXUKID-KIUMHBGESA-N 1 0 474.653 -0.042 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001541944270 1068974963 /nfs/dbraw/zinc/97/49/63/1068974963.db2.gz MNQXJGJMLVJSSH-CABCVRRESA-N 1 0 475.641 -0.546 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001541944271 1068975613 /nfs/dbraw/zinc/97/56/13/1068975613.db2.gz MNQXJGJMLVJSSH-GJZGRUSLSA-N 1 0 475.641 -0.546 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001541944272 1068975588 /nfs/dbraw/zinc/97/55/88/1068975588.db2.gz MNQXJGJMLVJSSH-HUUCEWRRSA-N 1 0 475.641 -0.546 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001541944273 1068975509 /nfs/dbraw/zinc/97/55/09/1068975509.db2.gz MNQXJGJMLVJSSH-LSDHHAIUSA-N 1 0 475.641 -0.546 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccn(C)n1 ZINC001541944794 1068975859 /nfs/dbraw/zinc/97/58/59/1068975859.db2.gz XNSWEDBAAUJZRY-CVEARBPZSA-N 1 0 452.585 -0.171 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccn(C)n1 ZINC001541944795 1068975973 /nfs/dbraw/zinc/97/59/73/1068975973.db2.gz XNSWEDBAAUJZRY-HOTGVXAUSA-N 1 0 452.585 -0.171 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccn(C)n1 ZINC001541944796 1068976017 /nfs/dbraw/zinc/97/60/17/1068976017.db2.gz XNSWEDBAAUJZRY-HZPDHXFCSA-N 1 0 452.585 -0.171 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccn(C)n1 ZINC001541944797 1068975920 /nfs/dbraw/zinc/97/59/20/1068975920.db2.gz XNSWEDBAAUJZRY-JKSUJKDBSA-N 1 0 452.585 -0.171 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541944906 1068975950 /nfs/dbraw/zinc/97/59/50/1068975950.db2.gz YXSSXDIQRAAXJJ-AEFFLSMTSA-N 1 0 472.612 -0.148 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H]1COCCO1 ZINC001541944907 1068975993 /nfs/dbraw/zinc/97/59/93/1068975993.db2.gz YXSSXDIQRAAXJJ-WMZOPIPTSA-N 1 0 472.612 -0.148 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001541945088 1068976875 /nfs/dbraw/zinc/97/68/75/1068976875.db2.gz BMQWKLHZIFEUKX-INIZCTEOSA-N 1 0 491.618 -0.171 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001541945089 1068976742 /nfs/dbraw/zinc/97/67/42/1068976742.db2.gz BMQWKLHZIFEUKX-MRXNPFEDSA-N 1 0 491.618 -0.171 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001541945272 1068976800 /nfs/dbraw/zinc/97/68/00/1068976800.db2.gz DVZKTGWRDPKMJN-HNNXBMFYSA-N 1 0 457.601 -0.550 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001541945273 1068976692 /nfs/dbraw/zinc/97/66/92/1068976692.db2.gz DVZKTGWRDPKMJN-OAHLLOKOSA-N 1 0 457.601 -0.550 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541945426 1068977300 /nfs/dbraw/zinc/97/73/00/1068977300.db2.gz GWBJTAMEBZVLFU-CVEARBPZSA-N 1 0 484.627 -0.843 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001541945427 1068977173 /nfs/dbraw/zinc/97/71/73/1068977173.db2.gz GWBJTAMEBZVLFU-HOTGVXAUSA-N 1 0 484.627 -0.843 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541945428 1068977321 /nfs/dbraw/zinc/97/73/21/1068977321.db2.gz GWBJTAMEBZVLFU-HZPDHXFCSA-N 1 0 484.627 -0.843 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001541945429 1068977253 /nfs/dbraw/zinc/97/72/53/1068977253.db2.gz GWBJTAMEBZVLFU-JKSUJKDBSA-N 1 0 484.627 -0.843 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001541945634 1068977792 /nfs/dbraw/zinc/97/77/92/1068977792.db2.gz JSAOINOFGKLVTL-CVEARBPZSA-N 1 0 471.584 -0.359 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001541945635 1068977712 /nfs/dbraw/zinc/97/77/12/1068977712.db2.gz JSAOINOFGKLVTL-HOTGVXAUSA-N 1 0 471.584 -0.359 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001541945636 1068977774 /nfs/dbraw/zinc/97/77/74/1068977774.db2.gz JSAOINOFGKLVTL-HZPDHXFCSA-N 1 0 471.584 -0.359 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001541945637 1068977856 /nfs/dbraw/zinc/97/78/56/1068977856.db2.gz JSAOINOFGKLVTL-JKSUJKDBSA-N 1 0 471.584 -0.359 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[NH+]1CCCCCC1 ZINC001541945638 1068977703 /nfs/dbraw/zinc/97/77/03/1068977703.db2.gz JSSOQFHRMDCZFM-CVEARBPZSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC[NH+]1CCCCCC1 ZINC001541945639 1068977837 /nfs/dbraw/zinc/97/78/37/1068977837.db2.gz JSSOQFHRMDCZFM-HOTGVXAUSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[NH+]1CCCCCC1 ZINC001541945640 1068977850 /nfs/dbraw/zinc/97/78/50/1068977850.db2.gz JSSOQFHRMDCZFM-HZPDHXFCSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC[NH+]1CCCCCC1 ZINC001541945641 1068977778 /nfs/dbraw/zinc/97/77/78/1068977778.db2.gz JSSOQFHRMDCZFM-JKSUJKDBSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[NH+]1CCCCC1 ZINC001541945784 1068978124 /nfs/dbraw/zinc/97/81/24/1068978124.db2.gz LNQSHZVPQIXQRG-CVEARBPZSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[NH+]1CCCCC1 ZINC001541945785 1068978333 /nfs/dbraw/zinc/97/83/33/1068978333.db2.gz LNQSHZVPQIXQRG-HOTGVXAUSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[NH+]1CCCCC1 ZINC001541945786 1068978374 /nfs/dbraw/zinc/97/83/74/1068978374.db2.gz LNQSHZVPQIXQRG-HZPDHXFCSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[NH+]1CCCCC1 ZINC001541945787 1068978238 /nfs/dbraw/zinc/97/82/38/1068978238.db2.gz LNQSHZVPQIXQRG-JKSUJKDBSA-N 1 0 454.601 -0.022 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001541946046 1068978767 /nfs/dbraw/zinc/97/87/67/1068978767.db2.gz OYERCIALEYKTHO-CVEARBPZSA-N 1 0 470.600 -0.786 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001541946047 1068978664 /nfs/dbraw/zinc/97/86/64/1068978664.db2.gz OYERCIALEYKTHO-HOTGVXAUSA-N 1 0 470.600 -0.786 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001541946048 1068978702 /nfs/dbraw/zinc/97/87/02/1068978702.db2.gz OYERCIALEYKTHO-HZPDHXFCSA-N 1 0 470.600 -0.786 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001541946049 1068978616 /nfs/dbraw/zinc/97/86/16/1068978616.db2.gz OYERCIALEYKTHO-JKSUJKDBSA-N 1 0 470.600 -0.786 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001541946176 1068979265 /nfs/dbraw/zinc/97/92/65/1068979265.db2.gz QXCAFLMQKJVWMY-HNNXBMFYSA-N 1 0 465.580 -0.187 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001541946177 1068979580 /nfs/dbraw/zinc/97/95/80/1068979580.db2.gz QXCAFLMQKJVWMY-OAHLLOKOSA-N 1 0 465.580 -0.187 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001541946178 1068979677 /nfs/dbraw/zinc/97/96/77/1068979677.db2.gz QYTGZRMPKUFQAZ-GJZGRUSLSA-N 1 0 465.646 -0.301 20 0 JBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001541946179 1068979592 /nfs/dbraw/zinc/97/95/92/1068979592.db2.gz QYTGZRMPKUFQAZ-LSDHHAIUSA-N 1 0 465.646 -0.301 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001541946226 1068979606 /nfs/dbraw/zinc/97/96/06/1068979606.db2.gz RLMCBRFLEBBOOG-HNNXBMFYSA-N 1 0 465.580 -0.187 20 0 JBADRO 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001541948885 1068980453 /nfs/dbraw/zinc/98/04/53/1068980453.db2.gz GAWPVYDEVJHLRW-UZLBHIALSA-N 1 0 472.612 -0.005 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541950044 1068981341 /nfs/dbraw/zinc/98/13/41/1068981341.db2.gz AFOPVVGUOBDBLY-FGTMMUONSA-N 1 0 496.682 -0.029 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001541950045 1068981241 /nfs/dbraw/zinc/98/12/41/1068981241.db2.gz AFOPVVGUOBDBLY-OKZBNKHCSA-N 1 0 496.682 -0.029 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCOCC[NH+](C)C ZINC001541951052 1068981840 /nfs/dbraw/zinc/98/18/40/1068981840.db2.gz RYWQRCJFEDUJRC-HRCADAONSA-N 1 0 457.601 -0.477 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCOCC[NH+](C)C ZINC001541951053 1068981729 /nfs/dbraw/zinc/98/17/29/1068981729.db2.gz 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ZINC001547414968 1069034501 /nfs/dbraw/zinc/03/45/01/1069034501.db2.gz IRZVQWQBAYXSBQ-DEOSSOPVSA-N 1 0 499.620 -0.018 20 0 JBADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001547414969 1069034000 /nfs/dbraw/zinc/03/40/00/1069034000.db2.gz IRZVQWQBAYXSBQ-XMMPIXPASA-N 1 0 499.620 -0.018 20 0 JBADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547423539 1069035692 /nfs/dbraw/zinc/03/56/92/1069035692.db2.gz RGTKDLQWJNTWAA-HOTGVXAUSA-N 1 0 469.550 -0.197 20 0 JBADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547423540 1069035752 /nfs/dbraw/zinc/03/57/52/1069035752.db2.gz RGTKDLQWJNTWAA-JKSUJKDBSA-N 1 0 469.550 -0.197 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001547429964 1069035825 /nfs/dbraw/zinc/03/58/25/1069035825.db2.gz GVCYUSKVDAZIFY-BRWVUGGUSA-N 1 0 485.611 -0.018 20 0 JBADRO 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472.612 -0.055 20 0 JBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001547676030 1069048830 /nfs/dbraw/zinc/04/88/30/1069048830.db2.gz DFQQRRUQXZLQCF-WNRNVDISSA-N 1 0 472.612 -0.055 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001547676031 1069049223 /nfs/dbraw/zinc/04/92/23/1069049223.db2.gz DFQQRRUQXZLQCF-ZJPYXAASSA-N 1 0 472.612 -0.055 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001547676300 1069049133 /nfs/dbraw/zinc/04/91/33/1069049133.db2.gz GWOORYVUUJDMLO-BRWVUGGUSA-N 1 0 490.652 -0.281 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001547676301 1069048742 /nfs/dbraw/zinc/04/87/42/1069048742.db2.gz GWOORYVUUJDMLO-IKGGRYGDSA-N 1 0 490.652 -0.281 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001547676302 1069049011 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1069049326 /nfs/dbraw/zinc/04/93/26/1069049326.db2.gz OHFHDASYMQDBOK-JKSUJKDBSA-N 1 0 457.601 -0.332 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001547677510 1069049941 /nfs/dbraw/zinc/04/99/41/1069049941.db2.gz YWPSRDCDHYGHEI-CVEARBPZSA-N 1 0 478.641 -0.424 20 0 JBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001547677511 1069050030 /nfs/dbraw/zinc/05/00/30/1069050030.db2.gz YWPSRDCDHYGHEI-HOTGVXAUSA-N 1 0 478.641 -0.424 20 0 JBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001547677512 1069049988 /nfs/dbraw/zinc/04/99/88/1069049988.db2.gz YWPSRDCDHYGHEI-HZPDHXFCSA-N 1 0 478.641 -0.424 20 0 JBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001547677513 1069049900 /nfs/dbraw/zinc/04/99/00/1069049900.db2.gz YWPSRDCDHYGHEI-JKSUJKDBSA-N 1 0 478.641 -0.424 20 0 JBADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001547680500 1069049892 /nfs/dbraw/zinc/04/98/92/1069049892.db2.gz DOKCJLKDGBXAEY-ARFHVFGLSA-N 1 0 457.601 -0.286 20 0 JBADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001547680501 1069050002 /nfs/dbraw/zinc/05/00/02/1069050002.db2.gz DOKCJLKDGBXAEY-BZUAXINKSA-N 1 0 457.601 -0.286 20 0 JBADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001547680502 1069050059 /nfs/dbraw/zinc/05/00/59/1069050059.db2.gz DOKCJLKDGBXAEY-OAGGEKHMSA-N 1 0 457.601 -0.286 20 0 JBADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001547680503 1069049932 /nfs/dbraw/zinc/04/99/32/1069049932.db2.gz DOKCJLKDGBXAEY-XHSDSOJGSA-N 1 0 457.601 -0.286 20 0 JBADRO CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(O)CC2)CC1=O ZINC001547692281 1069049955 /nfs/dbraw/zinc/04/99/55/1069049955.db2.gz IWMJEIZRGRYKSW-INIZCTEOSA-N 1 0 471.628 -0.206 20 0 JBADRO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(O)CC2)CC1=O ZINC001547692282 1069049920 /nfs/dbraw/zinc/04/99/20/1069049920.db2.gz IWMJEIZRGRYKSW-MRXNPFEDSA-N 1 0 471.628 -0.206 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547699026 1069051110 /nfs/dbraw/zinc/05/11/10/1069051110.db2.gz BOABECVHCALFRB-CVEARBPZSA-N 1 0 456.617 -0.807 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547699027 1069050902 /nfs/dbraw/zinc/05/09/02/1069050902.db2.gz BOABECVHCALFRB-HOTGVXAUSA-N 1 0 456.617 -0.807 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547699028 1069051177 /nfs/dbraw/zinc/05/11/77/1069051177.db2.gz BOABECVHCALFRB-HZPDHXFCSA-N 1 0 456.617 -0.807 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001547699029 1069050986 /nfs/dbraw/zinc/05/09/86/1069050986.db2.gz BOABECVHCALFRB-JKSUJKDBSA-N 1 0 456.617 -0.807 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547699196 1069051053 /nfs/dbraw/zinc/05/10/53/1069051053.db2.gz FINLVTMQGWHNLR-FQEVSTJZSA-N 1 0 489.669 -0.250 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547699197 1069051161 /nfs/dbraw/zinc/05/11/61/1069051161.db2.gz FINLVTMQGWHNLR-HXUWFJFHSA-N 1 0 489.669 -0.250 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001547699202 1069050890 /nfs/dbraw/zinc/05/08/90/1069050890.db2.gz FIXMOMAAHLNPKW-GOSISDBHSA-N 1 0 482.655 -0.378 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001547699203 1069051129 /nfs/dbraw/zinc/05/11/29/1069051129.db2.gz FIXMOMAAHLNPKW-SFHVURJKSA-N 1 0 482.655 -0.378 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001547700100 1069050948 /nfs/dbraw/zinc/05/09/48/1069050948.db2.gz LKFOPQTZPYMRCO-FGTMMUONSA-N 1 0 497.670 -0.530 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001547700108 1069051188 /nfs/dbraw/zinc/05/11/88/1069051188.db2.gz LKFOPQTZPYMRCO-KURKYZTESA-N 1 0 497.670 -0.530 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)CC1 ZINC001547700110 1069051024 /nfs/dbraw/zinc/05/10/24/1069051024.db2.gz LKFOPQTZPYMRCO-KZNAEPCWSA-N 1 0 497.670 -0.530 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)CC1 ZINC001547700111 1069051151 /nfs/dbraw/zinc/05/11/51/1069051151.db2.gz LKFOPQTZPYMRCO-SQNIBIBYSA-N 1 0 497.670 -0.530 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)CC1 ZINC001547700940 1069051075 /nfs/dbraw/zinc/05/10/75/1069051075.db2.gz QJDAPIDBEHCOAN-DBXWQHBBSA-N 1 0 485.655 -0.090 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)CC1 ZINC001547700944 1069051212 /nfs/dbraw/zinc/05/12/12/1069051212.db2.gz QJDAPIDBEHCOAN-LQWHRVPQSA-N 1 0 485.655 -0.090 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@]3(CCOC3)C2)CC1 ZINC001547700947 1069051137 /nfs/dbraw/zinc/05/11/37/1069051137.db2.gz QJDAPIDBEHCOAN-LVCYWYKZSA-N 1 0 485.655 -0.090 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@]3(CCOC3)C2)CC1 ZINC001547700950 1069051168 /nfs/dbraw/zinc/05/11/68/1069051168.db2.gz QJDAPIDBEHCOAN-OPYAIIAOSA-N 1 0 485.655 -0.090 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547701053 1069051198 /nfs/dbraw/zinc/05/11/98/1069051198.db2.gz RKTUUMHIPIMSJZ-BZUAXINKSA-N 1 0 456.617 -0.774 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547701056 1069051872 /nfs/dbraw/zinc/05/18/72/1069051872.db2.gz RKTUUMHIPIMSJZ-OAGGEKHMSA-N 1 0 456.617 -0.774 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547701057 1069052001 /nfs/dbraw/zinc/05/20/01/1069052001.db2.gz RKTUUMHIPIMSJZ-OWCLPIDISA-N 1 0 456.617 -0.774 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547701059 1069051933 /nfs/dbraw/zinc/05/19/33/1069051933.db2.gz RKTUUMHIPIMSJZ-PMPSAXMXSA-N 1 0 456.617 -0.774 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC001547701746 1069051976 /nfs/dbraw/zinc/05/19/76/1069051976.db2.gz VYFOVXJWPJHXIH-GOSISDBHSA-N 1 0 462.599 -0.880 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC001547701747 1069051758 /nfs/dbraw/zinc/05/17/58/1069051758.db2.gz VYFOVXJWPJHXIH-SFHVURJKSA-N 1 0 462.599 -0.880 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1 ZINC001547703340 1069052011 /nfs/dbraw/zinc/05/20/11/1069052011.db2.gz CYXSNAWYKSCGOQ-DLBZAZTESA-N 1 0 458.654 -0.225 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1 ZINC001547703341 1069051835 /nfs/dbraw/zinc/05/18/35/1069051835.db2.gz CYXSNAWYKSCGOQ-IAGOWNOFSA-N 1 0 458.654 -0.225 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1 ZINC001547703342 1069051723 /nfs/dbraw/zinc/05/17/23/1069051723.db2.gz CYXSNAWYKSCGOQ-IRXDYDNUSA-N 1 0 458.654 -0.225 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)CC2)CC1 ZINC001547703343 1069051967 /nfs/dbraw/zinc/05/19/67/1069051967.db2.gz CYXSNAWYKSCGOQ-SJORKVTESA-N 1 0 458.654 -0.225 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547703838 1069051781 /nfs/dbraw/zinc/05/17/81/1069051781.db2.gz KEMFEAGTEDASTN-KSZLIROESA-N 1 0 467.640 -0.127 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547703841 1069051893 /nfs/dbraw/zinc/05/18/93/1069051893.db2.gz KEMFEAGTEDASTN-KURKYZTESA-N 1 0 467.640 -0.127 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001547703843 1069051947 /nfs/dbraw/zinc/05/19/47/1069051947.db2.gz KEMFEAGTEDASTN-KZNAEPCWSA-N 1 0 467.640 -0.127 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001547703845 1069051797 /nfs/dbraw/zinc/05/17/97/1069051797.db2.gz KEMFEAGTEDASTN-RCCFBDPRSA-N 1 0 467.640 -0.127 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547717710 1069051954 /nfs/dbraw/zinc/05/19/54/1069051954.db2.gz IERKIXPLVXRHEN-DLBZAZTESA-N 1 0 485.611 -1.000 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547717720 1069051848 /nfs/dbraw/zinc/05/18/48/1069051848.db2.gz IERKIXPLVXRHEN-IAGOWNOFSA-N 1 0 485.611 -1.000 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001547717725 1069051916 /nfs/dbraw/zinc/05/19/16/1069051916.db2.gz IERKIXPLVXRHEN-IRXDYDNUSA-N 1 0 485.611 -1.000 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001547717729 1069051738 /nfs/dbraw/zinc/05/17/38/1069051738.db2.gz IERKIXPLVXRHEN-SJORKVTESA-N 1 0 485.611 -1.000 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCS(=O)(=O)NC)C2)CC1 ZINC001547722420 1069052818 /nfs/dbraw/zinc/05/28/18/1069052818.db2.gz QQSLDZXPUUJTFP-INIZCTEOSA-N 1 0 456.617 -0.818 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCS(=O)(=O)NC)C2)CC1 ZINC001547722421 1069052923 /nfs/dbraw/zinc/05/29/23/1069052923.db2.gz QQSLDZXPUUJTFP-MRXNPFEDSA-N 1 0 456.617 -0.818 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(C)(=O)=O)C2)CC1 ZINC001547723114 1069052697 /nfs/dbraw/zinc/05/26/97/1069052697.db2.gz CNPVSJAVFPWXCZ-KRWDZBQOSA-N 1 0 453.613 -0.339 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CCS(C)(=O)=O)C2)CC1 ZINC001547723115 1069052877 /nfs/dbraw/zinc/05/28/77/1069052877.db2.gz CNPVSJAVFPWXCZ-QGZVFWFLSA-N 1 0 453.613 -0.339 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)C2)CC1 ZINC001547723964 1069052794 /nfs/dbraw/zinc/05/27/94/1069052794.db2.gz GNKGLGJGQKOGSC-BBWFWOEESA-N 1 0 468.628 -0.617 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)C2)CC1 ZINC001547723968 1069052905 /nfs/dbraw/zinc/05/29/05/1069052905.db2.gz GNKGLGJGQKOGSC-BRWVUGGUSA-N 1 0 468.628 -0.617 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)C2)CC1 ZINC001547723969 1069052829 /nfs/dbraw/zinc/05/28/29/1069052829.db2.gz GNKGLGJGQKOGSC-GVDBMIGSSA-N 1 0 468.628 -0.617 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)C2)CC1 ZINC001547723971 1069052884 /nfs/dbraw/zinc/05/28/84/1069052884.db2.gz GNKGLGJGQKOGSC-ZACQAIPSSA-N 1 0 468.628 -0.617 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547724734 1069052846 /nfs/dbraw/zinc/05/28/46/1069052846.db2.gz RISCRQBVEGIPQU-GOSISDBHSA-N 1 0 482.655 -0.444 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001547724737 1069052772 /nfs/dbraw/zinc/05/27/72/1069052772.db2.gz RISCRQBVEGIPQU-SFHVURJKSA-N 1 0 482.655 -0.444 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724753 1069052753 /nfs/dbraw/zinc/05/27/53/1069052753.db2.gz DRLGGBDPOGIKIU-TVFCKZIOSA-N 1 0 471.628 -0.277 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724782 1069052729 /nfs/dbraw/zinc/05/27/29/1069052729.db2.gz DRLGGBDPOGIKIU-XDNAFOTISA-N 1 0 471.628 -0.277 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724784 1069052857 /nfs/dbraw/zinc/05/28/57/1069052857.db2.gz DRLGGBDPOGIKIU-XLAORIBOSA-N 1 0 471.628 -0.277 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3OCO[C@H]3C2)CC1 ZINC001547724787 1069052894 /nfs/dbraw/zinc/05/28/94/1069052894.db2.gz DRLGGBDPOGIKIU-XWTMOSNGSA-N 1 0 471.628 -0.277 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)C2)CC1 ZINC001547724807 1069053692 /nfs/dbraw/zinc/05/36/92/1069053692.db2.gz KPZWFQMZXFPHQU-AEFFLSMTSA-N 1 0 482.655 -0.369 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)C2)CC1 ZINC001547724810 1069053671 /nfs/dbraw/zinc/05/36/71/1069053671.db2.gz KPZWFQMZXFPHQU-FUHWJXTLSA-N 1 0 482.655 -0.369 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)C2)CC1 ZINC001547724812 1069053880 /nfs/dbraw/zinc/05/38/80/1069053880.db2.gz KPZWFQMZXFPHQU-SJLPKXTDSA-N 1 0 482.655 -0.369 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)C2)CC1 ZINC001547724814 1069053733 /nfs/dbraw/zinc/05/37/33/1069053733.db2.gz KPZWFQMZXFPHQU-WMZOPIPTSA-N 1 0 482.655 -0.369 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H]3COCCO3)C2)CC1 ZINC001547724879 1069053618 /nfs/dbraw/zinc/05/36/18/1069053618.db2.gz LGMBMLSWBGAQHP-KZNAEPCWSA-N 1 0 471.628 -0.480 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3COCCO3)C2)CC1 ZINC001547724882 1069053807 /nfs/dbraw/zinc/05/38/07/1069053807.db2.gz LGMBMLSWBGAQHP-RCCFBDPRSA-N 1 0 471.628 -0.480 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547725414 1069053901 /nfs/dbraw/zinc/05/39/01/1069053901.db2.gz XKDBPTFIEWYEKN-DLBZAZTESA-N 1 0 468.628 -0.615 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547725418 1069053720 /nfs/dbraw/zinc/05/37/20/1069053720.db2.gz XKDBPTFIEWYEKN-IAGOWNOFSA-N 1 0 468.628 -0.615 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547725420 1069053707 /nfs/dbraw/zinc/05/37/07/1069053707.db2.gz XKDBPTFIEWYEKN-IRXDYDNUSA-N 1 0 468.628 -0.615 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001547725421 1069053923 /nfs/dbraw/zinc/05/39/23/1069053923.db2.gz XKDBPTFIEWYEKN-SJORKVTESA-N 1 0 468.628 -0.615 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725877 1069053749 /nfs/dbraw/zinc/05/37/49/1069053749.db2.gz IQGRZZJJQHTDLU-MSOLQXFVSA-N 1 0 496.682 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725878 1069053844 /nfs/dbraw/zinc/05/38/44/1069053844.db2.gz IQGRZZJJQHTDLU-QZTJIDSGSA-N 1 0 496.682 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725879 1069053635 /nfs/dbraw/zinc/05/36/35/1069053635.db2.gz IQGRZZJJQHTDLU-ROUUACIJSA-N 1 0 496.682 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001547725880 1069053765 /nfs/dbraw/zinc/05/37/65/1069053765.db2.gz IQGRZZJJQHTDLU-ZWKOTPCHSA-N 1 0 496.682 -0.027 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547726127 1069053793 /nfs/dbraw/zinc/05/37/93/1069053793.db2.gz LFIJNUSAPZKVOU-KRWDZBQOSA-N 1 0 455.629 -0.075 20 0 JBADRO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547726128 1069053683 /nfs/dbraw/zinc/05/36/83/1069053683.db2.gz LFIJNUSAPZKVOU-QGZVFWFLSA-N 1 0 455.629 -0.075 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547726300 1069054716 /nfs/dbraw/zinc/05/47/16/1069054716.db2.gz MRQDHTXKOHFKNS-BBWFWOEESA-N 1 0 470.644 -0.527 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547726301 1069054562 /nfs/dbraw/zinc/05/45/62/1069054562.db2.gz MRQDHTXKOHFKNS-GVDBMIGSSA-N 1 0 470.644 -0.527 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001547726302 1069054510 /nfs/dbraw/zinc/05/45/10/1069054510.db2.gz MRQDHTXKOHFKNS-ULQDDVLXSA-N 1 0 470.644 -0.527 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001547726303 1069054675 /nfs/dbraw/zinc/05/46/75/1069054675.db2.gz MRQDHTXKOHFKNS-YESZJQIVSA-N 1 0 470.644 -0.527 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547726984 1069054633 /nfs/dbraw/zinc/05/46/33/1069054633.db2.gz WLVZEVITJLRJGC-DLBZAZTESA-N 1 0 491.684 -0.603 20 0 JBADRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547726985 1069054545 /nfs/dbraw/zinc/05/45/45/1069054545.db2.gz WLVZEVITJLRJGC-IAGOWNOFSA-N 1 0 491.684 -0.603 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547726986 1069054604 /nfs/dbraw/zinc/05/46/04/1069054604.db2.gz WLVZEVITJLRJGC-IRXDYDNUSA-N 1 0 491.684 -0.603 20 0 JBADRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001547726987 1069054690 /nfs/dbraw/zinc/05/46/90/1069054690.db2.gz WLVZEVITJLRJGC-SJORKVTESA-N 1 0 491.684 -0.603 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728947 1069054659 /nfs/dbraw/zinc/05/46/59/1069054659.db2.gz DQJKWNMGSGNPFY-DLBZAZTESA-N 1 0 453.613 -0.610 20 0 JBADRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728948 1069054617 /nfs/dbraw/zinc/05/46/17/1069054617.db2.gz DQJKWNMGSGNPFY-IAGOWNOFSA-N 1 0 453.613 -0.610 20 0 JBADRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728949 1069054700 /nfs/dbraw/zinc/05/47/00/1069054700.db2.gz DQJKWNMGSGNPFY-IRXDYDNUSA-N 1 0 453.613 -0.610 20 0 JBADRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)CC1 ZINC001547728950 1069054708 /nfs/dbraw/zinc/05/47/08/1069054708.db2.gz DQJKWNMGSGNPFY-SJORKVTESA-N 1 0 453.613 -0.610 20 0 JBADRO CC[NH+]1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547730372 1069054531 /nfs/dbraw/zinc/05/45/31/1069054531.db2.gz FOUNLUCWDVKGPH-MOPGFXCFSA-N 1 0 497.666 -0.451 20 0 JBADRO CC[NH+]1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547730374 1069054646 /nfs/dbraw/zinc/05/46/46/1069054646.db2.gz FOUNLUCWDVKGPH-OALUTQOASA-N 1 0 497.666 -0.451 20 0 JBADRO CC[NH+]1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547730375 1069054523 /nfs/dbraw/zinc/05/45/23/1069054523.db2.gz FOUNLUCWDVKGPH-RBUKOAKNSA-N 1 0 497.666 -0.451 20 0 JBADRO CC[NH+]1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547730376 1069054594 /nfs/dbraw/zinc/05/45/94/1069054594.db2.gz FOUNLUCWDVKGPH-RTBURBONSA-N 1 0 497.666 -0.451 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730796 1069055661 /nfs/dbraw/zinc/05/56/61/1069055661.db2.gz OFDXETZKIBPLTA-PMACEKPBSA-N 1 0 489.669 -0.287 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730801 1069055557 /nfs/dbraw/zinc/05/55/57/1069055557.db2.gz OFDXETZKIBPLTA-UXHICEINSA-N 1 0 489.669 -0.287 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730804 1069055696 /nfs/dbraw/zinc/05/56/96/1069055696.db2.gz OFDXETZKIBPLTA-VQTJNVASSA-N 1 0 489.669 -0.287 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001547730807 1069055634 /nfs/dbraw/zinc/05/56/34/1069055634.db2.gz OFDXETZKIBPLTA-WOJBJXKFSA-N 1 0 489.669 -0.287 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731808 1069055605 /nfs/dbraw/zinc/05/56/05/1069055605.db2.gz SZESOIWEQGFGJO-CEXWTWQISA-N 1 0 496.682 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731810 1069055708 /nfs/dbraw/zinc/05/57/08/1069055708.db2.gz SZESOIWEQGFGJO-FHWLQOOXSA-N 1 0 496.682 -0.027 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001547731812 1069055539 /nfs/dbraw/zinc/05/55/39/1069055539.db2.gz 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HHTDYNRCULXFOG-WMZHIEFXSA-N 1 0 479.626 -0.139 20 0 JBADRO CCO[C@@]1(c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001547911718 1069077539 /nfs/dbraw/zinc/07/75/39/1069077539.db2.gz HHTDYNRCULXFOG-XXBNENTESA-N 1 0 479.626 -0.139 20 0 JBADRO CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547915400 1069079259 /nfs/dbraw/zinc/07/92/59/1069079259.db2.gz CNRSGVUZAOHWID-MOPGFXCFSA-N 1 0 458.585 -0.922 20 0 JBADRO CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547915404 1069079279 /nfs/dbraw/zinc/07/92/79/1069079279.db2.gz CNRSGVUZAOHWID-OALUTQOASA-N 1 0 458.585 -0.922 20 0 JBADRO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547915406 1069079169 /nfs/dbraw/zinc/07/91/69/1069079169.db2.gz CNRSGVUZAOHWID-RBUKOAKNSA-N 1 0 458.585 -0.922 20 0 JBADRO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001547915408 1069079181 /nfs/dbraw/zinc/07/91/81/1069079181.db2.gz 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SQYFMFJQYCRSGX-FXAWDEMLSA-N 1 0 472.612 -0.362 20 0 JBADRO CCO[C@@]1(c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCNS(C)(=O)=O)CCOC1 ZINC001547918124 1069080892 /nfs/dbraw/zinc/08/08/92/1069080892.db2.gz SQYFMFJQYCRSGX-PXNSSMCTSA-N 1 0 472.612 -0.362 20 0 JBADRO CCO[C@@]1(c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCNS(C)(=O)=O)CCOC1 ZINC001547918125 1069080922 /nfs/dbraw/zinc/08/09/22/1069080922.db2.gz SQYFMFJQYCRSGX-XLIONFOSSA-N 1 0 472.612 -0.362 20 0 JBADRO CCO[C@]1(c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCNS(C)(=O)=O)CCOC1 ZINC001547918126 1069080941 /nfs/dbraw/zinc/08/09/41/1069080941.db2.gz SQYFMFJQYCRSGX-YLJYHZDGSA-N 1 0 472.612 -0.362 20 0 JBADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001548164728 1069084234 /nfs/dbraw/zinc/08/42/34/1069084234.db2.gz KAYYHVKYTJXHJZ-UHFFFAOYSA-N 1 0 493.609 -0.566 20 0 JBADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001548164741 1069084222 /nfs/dbraw/zinc/08/42/22/1069084222.db2.gz KMAGMEQVJPABDY-UHFFFAOYSA-N 1 0 493.609 -0.567 20 0 JBADRO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCC[NH+]1CCCC1 ZINC001548164901 1069084912 /nfs/dbraw/zinc/08/49/12/1069084912.db2.gz QELRLHDCCFSNDJ-UHFFFAOYSA-N 1 0 463.583 -0.192 20 0 JBADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001548165271 1069084884 /nfs/dbraw/zinc/08/48/84/1069084884.db2.gz DEJFANCIFRDRSQ-KRWDZBQOSA-N 1 0 463.583 -0.161 20 0 JBADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001548165272 1069084992 /nfs/dbraw/zinc/08/49/92/1069084992.db2.gz DEJFANCIFRDRSQ-QGZVFWFLSA-N 1 0 463.583 -0.161 20 0 JBADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC(=O)N1CCOCC1 ZINC001548165453 1069085083 /nfs/dbraw/zinc/08/50/83/1069085083.db2.gz JHACGNINXUPBPR-GOSISDBHSA-N 1 0 463.583 -0.194 20 0 JBADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC(=O)N1CCOCC1 ZINC001548165454 1069085108 /nfs/dbraw/zinc/08/51/08/1069085108.db2.gz JHACGNINXUPBPR-SFHVURJKSA-N 1 0 463.583 -0.194 20 0 JBADRO CCOCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001548166403 1069085033 /nfs/dbraw/zinc/08/50/33/1069085033.db2.gz AHCGSBYXYCFSTI-FQEVSTJZSA-N 1 0 472.612 -0.645 20 0 JBADRO CCOCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001548166413 1069084943 /nfs/dbraw/zinc/08/49/43/1069084943.db2.gz AHCGSBYXYCFSTI-HXUWFJFHSA-N 1 0 472.612 -0.645 20 0 JBADRO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001548183200 1069086618 /nfs/dbraw/zinc/08/66/18/1069086618.db2.gz XEASTYZXCXCNTB-KRWDZBQOSA-N 1 0 471.628 -0.161 20 0 JBADRO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001548183201 1069086546 /nfs/dbraw/zinc/08/65/46/1069086546.db2.gz XEASTYZXCXCNTB-QGZVFWFLSA-N 1 0 471.628 -0.161 20 0 JBADRO CCOC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001548208590 1069086568 /nfs/dbraw/zinc/08/65/68/1069086568.db2.gz NRSWFKNRUDFRIG-DBXWQHBBSA-N 1 0 486.639 -0.070 20 0 JBADRO CCOC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001548208591 1069086718 /nfs/dbraw/zinc/08/67/18/1069086718.db2.gz NRSWFKNRUDFRIG-LQWHRVPQSA-N 1 0 486.639 -0.070 20 0 JBADRO CCOC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001548208592 1069086653 /nfs/dbraw/zinc/08/66/53/1069086653.db2.gz NRSWFKNRUDFRIG-LVCYWYKZSA-N 1 0 486.639 -0.070 20 0 JBADRO CCOC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001548208593 1069087641 /nfs/dbraw/zinc/08/76/41/1069087641.db2.gz NRSWFKNRUDFRIG-OPYAIIAOSA-N 1 0 486.639 -0.070 20 0 JBADRO CCS(=O)(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001548296036 1069090176 /nfs/dbraw/zinc/09/01/76/1069090176.db2.gz DFZJSMWASHFYLS-FQEVSTJZSA-N 1 0 454.597 -0.129 20 0 JBADRO CCS(=O)(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001548296037 1069090220 /nfs/dbraw/zinc/09/02/20/1069090220.db2.gz DFZJSMWASHFYLS-HXUWFJFHSA-N 1 0 454.597 -0.129 20 0 JBADRO CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001548315230 1069092083 /nfs/dbraw/zinc/09/20/83/1069092083.db2.gz VDQQSPNAAZMELZ-INIZCTEOSA-N 1 0 492.668 -0.128 20 0 JBADRO CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001548315233 1069092218 /nfs/dbraw/zinc/09/22/18/1069092218.db2.gz VDQQSPNAAZMELZ-MRXNPFEDSA-N 1 0 492.668 -0.128 20 0 JBADRO CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001548319809 1069092953 /nfs/dbraw/zinc/09/29/53/1069092953.db2.gz SZLXIVRBFCLNDD-BBWFWOEESA-N 1 0 490.652 -0.281 20 0 JBADRO CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001548319810 1069092997 /nfs/dbraw/zinc/09/29/97/1069092997.db2.gz SZLXIVRBFCLNDD-IKGGRYGDSA-N 1 0 490.652 -0.281 20 0 JBADRO CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001548319811 1069092683 /nfs/dbraw/zinc/09/26/83/1069092683.db2.gz SZLXIVRBFCLNDD-ULQDDVLXSA-N 1 0 490.652 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0 JBADRO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001552399419 1069101713 /nfs/dbraw/zinc/10/17/13/1069101713.db2.gz JSILABRZKVJZJJ-INIZCTEOSA-N 1 0 455.585 -0.531 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001552399421 1069101774 /nfs/dbraw/zinc/10/17/74/1069101774.db2.gz JSILABRZKVJZJJ-MRXNPFEDSA-N 1 0 455.585 -0.531 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001552399612 1069102137 /nfs/dbraw/zinc/10/21/37/1069102137.db2.gz LZCIALXOEJVGOM-KRWDZBQOSA-N 1 0 469.612 -0.283 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001552399613 1069101823 /nfs/dbraw/zinc/10/18/23/1069101823.db2.gz LZCIALXOEJVGOM-QGZVFWFLSA-N 1 0 469.612 -0.283 20 0 JBADRO CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001552401847 1069104884 /nfs/dbraw/zinc/10/48/84/1069104884.db2.gz HDRWGFCNTZGRBG-KRWDZBQOSA-N 1 0 469.612 -0.502 20 0 JBADRO CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001552401857 1069104769 /nfs/dbraw/zinc/10/47/69/1069104769.db2.gz HDRWGFCNTZGRBG-QGZVFWFLSA-N 1 0 469.612 -0.502 20 0 JBADRO CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001552402360 1069104685 /nfs/dbraw/zinc/10/46/85/1069104685.db2.gz KUNGMGHZYVJZRW-UHFFFAOYSA-N 1 0 483.639 -0.112 20 0 JBADRO CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001552402463 1069104706 /nfs/dbraw/zinc/10/47/06/1069104706.db2.gz MIEXAYAGUWLEII-UHFFFAOYSA-N 1 0 453.613 -0.086 20 0 JBADRO CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001552403335 1069104581 /nfs/dbraw/zinc/10/45/81/1069104581.db2.gz REERFGOGEHCABV-UHFFFAOYSA-N 1 0 493.638 -0.214 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)C1 ZINC001552664134 1069108733 /nfs/dbraw/zinc/10/87/33/1069108733.db2.gz SCVPSOCQHFNGAI-KRWDZBQOSA-N 1 0 460.583 -0.378 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)C1 ZINC001552664138 1069109054 /nfs/dbraw/zinc/10/90/54/1069109054.db2.gz SCVPSOCQHFNGAI-QGZVFWFLSA-N 1 0 460.583 -0.378 20 0 JBADRO CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001552700755 1069109589 /nfs/dbraw/zinc/10/95/89/1069109589.db2.gz HDRSJSPWHHXPEV-KRWDZBQOSA-N 1 0 460.583 -0.265 20 0 JBADRO CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001552700758 1069109663 /nfs/dbraw/zinc/10/96/63/1069109663.db2.gz HDRSJSPWHHXPEV-QGZVFWFLSA-N 1 0 460.583 -0.265 20 0 JBADRO CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001552713988 1069110363 /nfs/dbraw/zinc/11/03/63/1069110363.db2.gz RGACSJRYUDTPNC-UHFFFAOYSA-N 1 0 460.583 -0.377 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001552739397 1069114140 /nfs/dbraw/zinc/11/41/40/1069114140.db2.gz LRNLGLQOFSKBFD-IBGZPJMESA-N 1 0 499.620 -0.018 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001552739400 1069113997 /nfs/dbraw/zinc/11/39/97/1069113997.db2.gz LRNLGLQOFSKBFD-LJQANCHMSA-N 1 0 499.620 -0.018 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cnccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001552739978 1069113883 /nfs/dbraw/zinc/11/38/83/1069113883.db2.gz SHSUYHIQLHJRPI-UHFFFAOYSA-N 1 0 470.626 -0.029 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001552753492 1069116018 /nfs/dbraw/zinc/11/60/18/1069116018.db2.gz ASSYMJXAXGXQII-DOTOQJQBSA-N 1 0 481.579 -0.167 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001552753494 1069115905 /nfs/dbraw/zinc/11/59/05/1069115905.db2.gz ASSYMJXAXGXQII-NVXWUHKLSA-N 1 0 481.579 -0.167 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001552753496 1069115984 /nfs/dbraw/zinc/11/59/84/1069115984.db2.gz ASSYMJXAXGXQII-RDJZCZTQSA-N 1 0 481.579 -0.167 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001552753499 1069115837 /nfs/dbraw/zinc/11/58/37/1069115837.db2.gz ASSYMJXAXGXQII-WBVHZDCISA-N 1 0 481.579 -0.167 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)C1CC1 ZINC001552754006 1069115968 /nfs/dbraw/zinc/11/59/68/1069115968.db2.gz GPUZHROZLRDHPS-BBWFWOEESA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)C1CC1 ZINC001552754011 1069115688 /nfs/dbraw/zinc/11/56/88/1069115688.db2.gz GPUZHROZLRDHPS-GVDBMIGSSA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)C1CC1 ZINC001552754013 1069116009 /nfs/dbraw/zinc/11/60/09/1069116009.db2.gz GPUZHROZLRDHPS-ULQDDVLXSA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)C1CC1 ZINC001552754015 1069115930 /nfs/dbraw/zinc/11/59/30/1069115930.db2.gz GPUZHROZLRDHPS-YESZJQIVSA-N 1 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JKTILYWCXHNPHW-UHFFFAOYSA-N 1 0 483.639 -0.017 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)CC2)CCOCC1 ZINC001552810734 1069116003 /nfs/dbraw/zinc/11/60/03/1069116003.db2.gz FUURGBXLHDOKEO-INIZCTEOSA-N 1 0 485.611 -0.952 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)CC2)CCOCC1 ZINC001552810738 1069115780 /nfs/dbraw/zinc/11/57/80/1069115780.db2.gz FUURGBXLHDOKEO-MRXNPFEDSA-N 1 0 485.611 -0.952 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)CCOCC1 ZINC001552811961 1069115941 /nfs/dbraw/zinc/11/59/41/1069115941.db2.gz LHTDPCYRHFQMFR-INIZCTEOSA-N 1 0 490.652 -0.710 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)CCOCC1 ZINC001552811965 1069116947 /nfs/dbraw/zinc/11/69/47/1069116947.db2.gz LHTDPCYRHFQMFR-MRXNPFEDSA-N 1 0 490.652 -0.710 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001552849127 1069116928 /nfs/dbraw/zinc/11/69/28/1069116928.db2.gz HOACHZADGQXSES-HNNXBMFYSA-N 1 0 469.550 -0.340 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001552849128 1069116748 /nfs/dbraw/zinc/11/67/48/1069116748.db2.gz HOACHZADGQXSES-OAHLLOKOSA-N 1 0 469.550 -0.340 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001552860838 1069116644 /nfs/dbraw/zinc/11/66/44/1069116644.db2.gz FRAWDUIBACCTSK-GOSISDBHSA-N 1 0 476.626 -0.202 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001552860839 1069116910 /nfs/dbraw/zinc/11/69/10/1069116910.db2.gz FRAWDUIBACCTSK-SFHVURJKSA-N 1 0 476.626 -0.202 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001552863036 1069116454 /nfs/dbraw/zinc/11/64/54/1069116454.db2.gz YQWIADGWAHKIBN-UHFFFAOYSA-N 1 0 474.610 -0.085 20 0 JBADRO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001552863354 1069116965 /nfs/dbraw/zinc/11/69/65/1069116965.db2.gz WZTVNYMEVOTPDL-HNNXBMFYSA-N 1 0 457.601 -0.523 20 0 JBADRO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001552863355 1069116788 /nfs/dbraw/zinc/11/67/88/1069116788.db2.gz WZTVNYMEVOTPDL-OAHLLOKOSA-N 1 0 457.601 -0.523 20 0 JBADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001552870071 1069116891 /nfs/dbraw/zinc/11/68/91/1069116891.db2.gz CGGFPRQIKCWRJX-UHFFFAOYSA-N 1 0 478.598 -0.334 20 0 JBADRO C[NH+](C)CCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001552870551 1069117009 /nfs/dbraw/zinc/11/70/09/1069117009.db2.gz HJVMMFVNDHQHFS-UHFFFAOYSA-N 1 0 456.551 -0.155 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC[NH+](C)C)CC1 ZINC001552872225 1069116693 /nfs/dbraw/zinc/11/66/93/1069116693.db2.gz ZPDCWMHJQZUHHK-UHFFFAOYSA-N 1 0 450.588 -0.698 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001552874981 1069117535 /nfs/dbraw/zinc/11/75/35/1069117535.db2.gz AZUIMNZOKXHPIX-DLBZAZTESA-N 1 0 485.611 -1.000 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001552874982 1069117439 /nfs/dbraw/zinc/11/74/39/1069117439.db2.gz AZUIMNZOKXHPIX-IAGOWNOFSA-N 1 0 485.611 -1.000 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001552874983 1069117652 /nfs/dbraw/zinc/11/76/52/1069117652.db2.gz AZUIMNZOKXHPIX-IRXDYDNUSA-N 1 0 485.611 -1.000 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001552874984 1069117612 /nfs/dbraw/zinc/11/76/12/1069117612.db2.gz AZUIMNZOKXHPIX-SJORKVTESA-N 1 0 485.611 -1.000 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001552876753 1069117692 /nfs/dbraw/zinc/11/76/92/1069117692.db2.gz JUYHLJOEJUASSO-INIZCTEOSA-N 1 0 458.585 -0.947 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC[NH+](C)C ZINC001552876756 1069117497 /nfs/dbraw/zinc/11/74/97/1069117497.db2.gz JUYHLJOEJUASSO-MRXNPFEDSA-N 1 0 458.585 -0.947 20 0 JBADRO C[NH+](C)CCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001552876758 1069117547 /nfs/dbraw/zinc/11/75/47/1069117547.db2.gz JWJHWZPIFIEAIV-UHFFFAOYSA-N 1 0 479.626 -0.048 20 0 JBADRO C[NH+](C)CCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001552876928 1069117629 /nfs/dbraw/zinc/11/76/29/1069117629.db2.gz XJPSIVKFBWDVDR-UHFFFAOYSA-N 1 0 463.583 -0.369 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001552877651 1069117510 /nfs/dbraw/zinc/11/75/10/1069117510.db2.gz VUQIWDUFEJSAGS-BZSNNMDCSA-N 1 0 499.638 -0.563 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001552877652 1069117587 /nfs/dbraw/zinc/11/75/87/1069117587.db2.gz VUQIWDUFEJSAGS-KSZLIROESA-N 1 0 499.638 -0.563 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001552877653 1069117684 /nfs/dbraw/zinc/11/76/84/1069117684.db2.gz VUQIWDUFEJSAGS-KURKYZTESA-N 1 0 499.638 -0.563 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001552877654 1069117716 /nfs/dbraw/zinc/11/77/16/1069117716.db2.gz VUQIWDUFEJSAGS-SQNIBIBYSA-N 1 0 499.638 -0.563 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001552877664 1069117482 /nfs/dbraw/zinc/11/74/82/1069117482.db2.gz WEYBKIXBMWPNHV-IBGZPJMESA-N 1 0 493.609 -0.742 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001552877665 1069117657 /nfs/dbraw/zinc/11/76/57/1069117657.db2.gz WEYBKIXBMWPNHV-LJQANCHMSA-N 1 0 493.609 -0.742 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001552877682 1069117725 /nfs/dbraw/zinc/11/77/25/1069117725.db2.gz WPXLWILBZYHFFF-INIZCTEOSA-N 1 0 478.641 -0.770 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001552877683 1069117526 /nfs/dbraw/zinc/11/75/26/1069117526.db2.gz WPXLWILBZYHFFF-MRXNPFEDSA-N 1 0 478.641 -0.770 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001552881484 1069118537 /nfs/dbraw/zinc/11/85/37/1069118537.db2.gz YKOFPTRKRBTSGS-KZNAEPCWSA-N 1 0 477.610 -0.078 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001552881485 1069118661 /nfs/dbraw/zinc/11/86/61/1069118661.db2.gz YKOFPTRKRBTSGS-RCCFBDPRSA-N 1 0 477.610 -0.078 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001552886777 1069119264 /nfs/dbraw/zinc/11/92/64/1069119264.db2.gz ATRKWOIBRMOZRY-INIZCTEOSA-N 1 0 450.569 -0.215 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001552886780 1069119313 /nfs/dbraw/zinc/11/93/13/1069119313.db2.gz ATRKWOIBRMOZRY-MRXNPFEDSA-N 1 0 450.569 -0.215 20 0 JBADRO CN(c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O)C1CC[NH+](CCn2cccn2)CC1 ZINC001552892294 1069121813 /nfs/dbraw/zinc/12/18/13/1069121813.db2.gz FWMAPKAGCJOXTQ-UHFFFAOYSA-N 1 0 493.638 -0.139 20 0 JBADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1)[C@@H]1CCOC1 ZINC001554078797 1069123786 /nfs/dbraw/zinc/12/37/86/1069123786.db2.gz NGJDMKGNMZFHGI-AEFFLSMTSA-N 1 0 472.612 -0.317 20 0 JBADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1)[C@H]1CCOC1 ZINC001554078799 1069123772 /nfs/dbraw/zinc/12/37/72/1069123772.db2.gz NGJDMKGNMZFHGI-FUHWJXTLSA-N 1 0 472.612 -0.317 20 0 JBADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1)[C@@H]1CCOC1 ZINC001554078802 1069123721 /nfs/dbraw/zinc/12/37/21/1069123721.db2.gz NGJDMKGNMZFHGI-SJLPKXTDSA-N 1 0 472.612 -0.317 20 0 JBADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[NH+]1CCC(O)CC1)[C@H]1CCOC1 ZINC001554078804 1069123540 /nfs/dbraw/zinc/12/35/40/1069123540.db2.gz NGJDMKGNMZFHGI-WMZOPIPTSA-N 1 0 472.612 -0.317 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001554124745 1069124629 /nfs/dbraw/zinc/12/46/29/1069124629.db2.gz GUDVCPZDPXMUHW-GOSISDBHSA-N 1 0 463.583 -0.344 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001554124746 1069124470 /nfs/dbraw/zinc/12/44/70/1069124470.db2.gz GUDVCPZDPXMUHW-SFHVURJKSA-N 1 0 463.583 -0.344 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CC1([NH+](C)C)CCOCC1 ZINC001554126754 1069126518 /nfs/dbraw/zinc/12/65/18/1069126518.db2.gz NYMRYIMJIBIJPL-UHFFFAOYSA-N 1 0 463.583 -0.194 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001554127493 1069127347 /nfs/dbraw/zinc/12/73/47/1069127347.db2.gz YQLVSDBRFDVILB-MSOLQXFVSA-N 1 0 484.623 -0.678 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001554127494 1069128436 /nfs/dbraw/zinc/12/84/36/1069128436.db2.gz YQLVSDBRFDVILB-QZTJIDSGSA-N 1 0 484.623 -0.678 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001554127495 1069128716 /nfs/dbraw/zinc/12/87/16/1069128716.db2.gz YQLVSDBRFDVILB-ROUUACIJSA-N 1 0 484.623 -0.678 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001554127496 1069128812 /nfs/dbraw/zinc/12/88/12/1069128812.db2.gz YQLVSDBRFDVILB-ZWKOTPCHSA-N 1 0 484.623 -0.678 20 0 JBADRO C[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)C1CCCC1 ZINC001554294895 1069132806 /nfs/dbraw/zinc/13/28/06/1069132806.db2.gz SPUDLRAHKRXEEG-DOTOQJQBSA-N 1 0 469.612 -0.203 20 0 JBADRO C[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)C1CCCC1 ZINC001554294899 1069133199 /nfs/dbraw/zinc/13/31/99/1069133199.db2.gz SPUDLRAHKRXEEG-NVXWUHKLSA-N 1 0 469.612 -0.203 20 0 JBADRO C[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)C1CCCC1 ZINC001554294901 1069132840 /nfs/dbraw/zinc/13/28/40/1069132840.db2.gz SPUDLRAHKRXEEG-RDJZCZTQSA-N 1 0 469.612 -0.203 20 0 JBADRO C[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)C1CCCC1 ZINC001554294903 1069133269 /nfs/dbraw/zinc/13/32/69/1069133269.db2.gz SPUDLRAHKRXEEG-WBVHZDCISA-N 1 0 469.612 -0.203 20 0 JBADRO CN(CCN1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001554301679 1069134232 /nfs/dbraw/zinc/13/42/32/1069134232.db2.gz BXILYUIXQFGXBJ-MOPGFXCFSA-N 1 0 485.655 -0.280 20 0 JBADRO CN(CCN1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001554301680 1069133900 /nfs/dbraw/zinc/13/39/00/1069133900.db2.gz BXILYUIXQFGXBJ-OALUTQOASA-N 1 0 485.655 -0.280 20 0 JBADRO CN(CCN1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001554301681 1069134398 /nfs/dbraw/zinc/13/43/98/1069134398.db2.gz BXILYUIXQFGXBJ-RBUKOAKNSA-N 1 0 485.655 -0.280 20 0 JBADRO CN(CCN1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001554301682 1069134506 /nfs/dbraw/zinc/13/45/06/1069134506.db2.gz BXILYUIXQFGXBJ-RTBURBONSA-N 1 0 485.655 -0.280 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001554305047 1069136253 /nfs/dbraw/zinc/13/62/53/1069136253.db2.gz NUYDNQQXDLACFK-HNNXBMFYSA-N 1 0 478.641 -0.724 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001554305048 1069136493 /nfs/dbraw/zinc/13/64/93/1069136493.db2.gz NUYDNQQXDLACFK-OAHLLOKOSA-N 1 0 478.641 -0.724 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001554305073 1069136599 /nfs/dbraw/zinc/13/65/99/1069136599.db2.gz OGEAUMITSWSXSS-INIZCTEOSA-N 1 0 491.684 -0.808 20 0 JBADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001554305074 1069137068 /nfs/dbraw/zinc/13/70/68/1069137068.db2.gz OGEAUMITSWSXSS-MRXNPFEDSA-N 1 0 491.684 -0.808 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2CCS(C)(=O)=O)cn1 ZINC001554332615 1069140392 /nfs/dbraw/zinc/14/03/92/1069140392.db2.gz HYDHJFHAUCKQMA-UHFFFAOYSA-N 1 0 450.569 -0.532 20 0 JBADRO CN(C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001554356403 1069142477 /nfs/dbraw/zinc/14/24/77/1069142477.db2.gz LDICRCZEXVSFQN-FQEVSTJZSA-N 1 0 469.612 -0.559 20 0 JBADRO 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/nfs/dbraw/zinc/15/46/96/1069154696.db2.gz AYLNSCFSAZWWII-GOSISDBHSA-N 1 0 464.615 -0.359 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001554439824 1069154726 /nfs/dbraw/zinc/15/47/26/1069154726.db2.gz AYLNSCFSAZWWII-SFHVURJKSA-N 1 0 464.615 -0.359 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC001554441497 1069155515 /nfs/dbraw/zinc/15/55/15/1069155515.db2.gz NLTUEJPFRDNJRG-DZKIICNBSA-N 1 0 455.585 -0.676 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC001554441498 1069155440 /nfs/dbraw/zinc/15/54/40/1069155440.db2.gz NLTUEJPFRDNJRG-FMKPAKJESA-N 1 0 455.585 -0.676 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC001554441499 1069155537 /nfs/dbraw/zinc/15/55/37/1069155537.db2.gz NLTUEJPFRDNJRG-LZWOXQAQSA-N 1 0 455.585 -0.676 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC001554441500 1069155592 /nfs/dbraw/zinc/15/55/92/1069155592.db2.gz NLTUEJPFRDNJRG-YCPHGPKFSA-N 1 0 455.585 -0.676 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001554441523 1069155374 /nfs/dbraw/zinc/15/53/74/1069155374.db2.gz NTZZXXGKNDNQHP-BBWFWOEESA-N 1 0 471.628 -0.040 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001554441524 1069155394 /nfs/dbraw/zinc/15/53/94/1069155394.db2.gz NTZZXXGKNDNQHP-IKGGRYGDSA-N 1 0 471.628 -0.040 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001554441525 1069155460 /nfs/dbraw/zinc/15/54/60/1069155460.db2.gz NTZZXXGKNDNQHP-ULQDDVLXSA-N 1 0 471.628 -0.040 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001554441526 1069155566 /nfs/dbraw/zinc/15/55/66/1069155566.db2.gz NTZZXXGKNDNQHP-ZACQAIPSSA-N 1 0 471.628 -0.040 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC001554443469 1069156050 /nfs/dbraw/zinc/15/60/50/1069156050.db2.gz ZKWHXSBMTMLBET-CRAIPNDOSA-N 1 0 479.607 -0.051 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC001554443470 1069156064 /nfs/dbraw/zinc/15/60/64/1069156064.db2.gz ZKWHXSBMTMLBET-MAUKXSAKSA-N 1 0 479.607 -0.051 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC001554443471 1069155910 /nfs/dbraw/zinc/15/59/10/1069155910.db2.gz ZKWHXSBMTMLBET-QAPCUYQASA-N 1 0 479.607 -0.051 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC001554443472 1069155714 /nfs/dbraw/zinc/15/57/14/1069155714.db2.gz ZKWHXSBMTMLBET-YJBOKZPZSA-N 1 0 479.607 -0.051 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCOCC2)CCO1 ZINC001554445464 1069157403 /nfs/dbraw/zinc/15/74/03/1069157403.db2.gz XGGFXVHIRMWRSA-KGVIQGDOSA-N 1 0 466.583 -0.009 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCOCC2)CCO1 ZINC001554445465 1069157533 /nfs/dbraw/zinc/15/75/33/1069157533.db2.gz XGGFXVHIRMWRSA-NPPFBWRTSA-N 1 0 466.583 -0.009 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCOCC2)CCO1 ZINC001554445466 1069157492 /nfs/dbraw/zinc/15/74/92/1069157492.db2.gz XGGFXVHIRMWRSA-SPEDKVCISA-N 1 0 466.583 -0.009 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001554451363 1069161601 /nfs/dbraw/zinc/16/16/01/1069161601.db2.gz FPCWLQAPEVFPNL-MSOLQXFVSA-N 1 0 463.583 -0.147 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001554451364 1069161573 /nfs/dbraw/zinc/16/15/73/1069161573.db2.gz FPCWLQAPEVFPNL-QZTJIDSGSA-N 1 0 463.583 -0.147 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001554451365 1069161456 /nfs/dbraw/zinc/16/14/56/1069161456.db2.gz FPCWLQAPEVFPNL-ROUUACIJSA-N 1 0 463.583 -0.147 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001554451366 1069161552 /nfs/dbraw/zinc/16/15/52/1069161552.db2.gz FPCWLQAPEVFPNL-ZWKOTPCHSA-N 1 0 463.583 -0.147 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001554452216 1069161502 /nfs/dbraw/zinc/16/15/02/1069161502.db2.gz WNSWTURSPWFWFG-MOPGFXCFSA-N 1 0 460.583 -0.062 20 0 JBADRO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001554452218 1069161402 /nfs/dbraw/zinc/16/14/02/1069161402.db2.gz WNSWTURSPWFWFG-OALUTQOASA-N 1 0 460.583 -0.062 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001554452220 1069161421 /nfs/dbraw/zinc/16/14/21/1069161421.db2.gz WNSWTURSPWFWFG-RBUKOAKNSA-N 1 0 460.583 -0.062 20 0 JBADRO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001554452222 1069161640 /nfs/dbraw/zinc/16/16/40/1069161640.db2.gz WNSWTURSPWFWFG-RTBURBONSA-N 1 0 460.583 -0.062 20 0 JBADRO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCSCC1 ZINC001554474923 1069165082 /nfs/dbraw/zinc/16/50/82/1069165082.db2.gz YTSJERBHBPSOIZ-HNNXBMFYSA-N 1 0 475.641 -0.768 20 0 JBADRO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCSCC1 ZINC001554474924 1069165062 /nfs/dbraw/zinc/16/50/62/1069165062.db2.gz YTSJERBHBPSOIZ-OAHLLOKOSA-N 1 0 475.641 -0.768 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001554486462 1069166454 /nfs/dbraw/zinc/16/64/54/1069166454.db2.gz ITWFEISCRSPDKU-INIZCTEOSA-N 1 0 455.585 -0.721 20 0 JBADRO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001554486463 1069166343 /nfs/dbraw/zinc/16/63/43/1069166343.db2.gz ITWFEISCRSPDKU-MRXNPFEDSA-N 1 0 455.585 -0.721 20 0 JBADRO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001554487538 1069167041 /nfs/dbraw/zinc/16/70/41/1069167041.db2.gz QUJZFRXMSWKTMQ-KRWDZBQOSA-N 1 0 485.611 -0.952 20 0 JBADRO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001554487540 1069167257 /nfs/dbraw/zinc/16/72/57/1069167257.db2.gz QUJZFRXMSWKTMQ-QGZVFWFLSA-N 1 0 485.611 -0.952 20 0 JBADRO CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001554489350 1069167164 /nfs/dbraw/zinc/16/71/64/1069167164.db2.gz LVDKJYPXNNOYNG-IBGZPJMESA-N 1 0 476.626 -0.232 20 0 JBADRO CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001554489351 1069167007 /nfs/dbraw/zinc/16/70/07/1069167007.db2.gz LVDKJYPXNNOYNG-LJQANCHMSA-N 1 0 476.626 -0.232 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001554492420 1069167198 /nfs/dbraw/zinc/16/71/98/1069167198.db2.gz IFWGSGPSZHUAOX-INIZCTEOSA-N 1 0 485.659 -0.624 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001554492421 1069167886 /nfs/dbraw/zinc/16/78/86/1069167886.db2.gz IFWGSGPSZHUAOX-MRXNPFEDSA-N 1 0 485.659 -0.624 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001554495989 1069167666 /nfs/dbraw/zinc/16/76/66/1069167666.db2.gz DQHZWMPAMBNRHX-INIZCTEOSA-N 1 0 484.627 -0.443 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001554495990 1069167725 /nfs/dbraw/zinc/16/77/25/1069167725.db2.gz DQHZWMPAMBNRHX-MRXNPFEDSA-N 1 0 484.627 -0.443 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)CCOC)CC1 ZINC001554496034 1069167854 /nfs/dbraw/zinc/16/78/54/1069167854.db2.gz GLBRJWUFXZKRQR-INIZCTEOSA-N 1 0 457.601 -0.390 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)CCOC)CC1 ZINC001554496035 1069167693 /nfs/dbraw/zinc/16/76/93/1069167693.db2.gz GLBRJWUFXZKRQR-MRXNPFEDSA-N 1 0 457.601 -0.390 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001554496091 1069167756 /nfs/dbraw/zinc/16/77/56/1069167756.db2.gz HNDIOZSWVFOSKU-DOTOQJQBSA-N 1 0 484.627 -0.445 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001554496092 1069167834 /nfs/dbraw/zinc/16/78/34/1069167834.db2.gz HNDIOZSWVFOSKU-NVXWUHKLSA-N 1 0 484.627 -0.445 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001554496093 1069168287 /nfs/dbraw/zinc/16/82/87/1069168287.db2.gz HNDIOZSWVFOSKU-RDJZCZTQSA-N 1 0 484.627 -0.445 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001554496094 1069168376 /nfs/dbraw/zinc/16/83/76/1069168376.db2.gz HNDIOZSWVFOSKU-WBVHZDCISA-N 1 0 484.627 -0.445 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)CCCOC)CC1 ZINC001554497087 1069168918 /nfs/dbraw/zinc/16/89/18/1069168918.db2.gz ZLIAFXGWUFNPER-INIZCTEOSA-N 1 0 457.601 -0.390 20 0 JBADRO CNC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)CCCOC)CC1 ZINC001554497089 1069168819 /nfs/dbraw/zinc/16/88/19/1069168819.db2.gz ZLIAFXGWUFNPER-MRXNPFEDSA-N 1 0 457.601 -0.390 20 0 JBADRO 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LZIANNHOFWIQRE-GDBMZVCRSA-N 1 0 493.656 -0.921 20 0 JBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+](C)C ZINC001611584379 1069394875 /nfs/dbraw/zinc/39/48/75/1069394875.db2.gz LZIANNHOFWIQRE-GOEBONIOSA-N 1 0 493.656 -0.921 20 0 JBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+](C)C ZINC001611584381 1069394575 /nfs/dbraw/zinc/39/45/75/1069394575.db2.gz LZIANNHOFWIQRE-HOCLYGCPSA-N 1 0 493.656 -0.921 20 0 JBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+](C)C ZINC001611584383 1069394817 /nfs/dbraw/zinc/39/48/17/1069394817.db2.gz LZIANNHOFWIQRE-ZBFHGGJFSA-N 1 0 493.656 -0.921 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001611584787 1069395317 /nfs/dbraw/zinc/39/53/17/1069395317.db2.gz OVQTYXAMIGUBIC-CEXWTWQISA-N 1 0 485.655 -0.138 20 0 JBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1)[NH+](C)C ZINC001611584788 1069395415 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C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001611585681 1069395495 /nfs/dbraw/zinc/39/54/95/1069395495.db2.gz ZKTAALJWWRCQDH-ZWKOTPCHSA-N 1 0 498.654 -0.101 20 0 JBADRO CC(C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001611619591 1069396055 /nfs/dbraw/zinc/39/60/55/1069396055.db2.gz RQOBLQKPOCHGCI-IBGZPJMESA-N 1 0 477.610 -0.123 20 0 JBADRO CC(C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001611619592 1069396301 /nfs/dbraw/zinc/39/63/01/1069396301.db2.gz RQOBLQKPOCHGCI-LJQANCHMSA-N 1 0 477.610 -0.123 20 0 JBADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)C[NH+]1CCOCC1 ZINC001611622004 1069396963 /nfs/dbraw/zinc/39/69/63/1069396963.db2.gz VWUUIGILLCLWDR-GOSISDBHSA-N 1 0 459.599 -0.143 20 0 JBADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)C[NH+]1CCOCC1 ZINC001611622005 1069396619 /nfs/dbraw/zinc/39/66/19/1069396619.db2.gz VWUUIGILLCLWDR-SFHVURJKSA-N 1 0 459.599 -0.143 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001611638436 1069397542 /nfs/dbraw/zinc/39/75/42/1069397542.db2.gz ZNJKHABFRDUTDA-BFYDXBDKSA-N 1 0 492.668 -0.037 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001611638437 1069397397 /nfs/dbraw/zinc/39/73/97/1069397397.db2.gz ZNJKHABFRDUTDA-INMHGKMJSA-N 1 0 492.668 -0.037 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001611638438 1069397497 /nfs/dbraw/zinc/39/74/97/1069397497.db2.gz ZNJKHABFRDUTDA-UXLLHSPISA-N 1 0 492.668 -0.037 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001611638439 1069397286 /nfs/dbraw/zinc/39/72/86/1069397286.db2.gz ZNJKHABFRDUTDA-ZMSDIMECSA-N 1 0 492.668 -0.037 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611661955 1069398192 /nfs/dbraw/zinc/39/81/92/1069398192.db2.gz VHYMZIUUJWHKNZ-ARFHVFGLSA-N 1 0 478.641 -0.642 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611661956 1069397997 /nfs/dbraw/zinc/39/79/97/1069397997.db2.gz VHYMZIUUJWHKNZ-HRCADAONSA-N 1 0 478.641 -0.642 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611661957 1069397834 /nfs/dbraw/zinc/39/78/34/1069397834.db2.gz VHYMZIUUJWHKNZ-JYJNAYRXSA-N 1 0 478.641 -0.642 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611661958 1069398042 /nfs/dbraw/zinc/39/80/42/1069398042.db2.gz VHYMZIUUJWHKNZ-XHSDSOJGSA-N 1 0 478.641 -0.642 20 0 JBADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611661967 1069398828 /nfs/dbraw/zinc/39/88/28/1069398828.db2.gz VJBDDWGDJQCGNS-CVEARBPZSA-N 1 0 493.700 -0.216 20 0 JBADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611661968 1069398501 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ZINC001611663462 1069398753 /nfs/dbraw/zinc/39/87/53/1069398753.db2.gz KRNFMOXXHSKYBC-CVEARBPZSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001611663463 1069398453 /nfs/dbraw/zinc/39/84/53/1069398453.db2.gz KRNFMOXXHSKYBC-HOTGVXAUSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001611663464 1069398477 /nfs/dbraw/zinc/39/84/77/1069398477.db2.gz KRNFMOXXHSKYBC-HZPDHXFCSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001611663465 1069398710 /nfs/dbraw/zinc/39/87/10/1069398710.db2.gz KRNFMOXXHSKYBC-JKSUJKDBSA-N 1 0 469.612 -0.332 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001611663838 1069398733 /nfs/dbraw/zinc/39/87/33/1069398733.db2.gz RLSJVSPHMCXCBA-INIZCTEOSA-N 1 0 487.627 -0.970 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCC[NH+]1CCC(O)CC1 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ZINC001611673886 1069400439 /nfs/dbraw/zinc/40/04/39/1069400439.db2.gz RKWZENXUZPIYHL-CVEARBPZSA-N 1 0 471.628 -0.210 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001611673887 1069400385 /nfs/dbraw/zinc/40/03/85/1069400385.db2.gz RKWZENXUZPIYHL-HOTGVXAUSA-N 1 0 471.628 -0.210 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001611673888 1069401099 /nfs/dbraw/zinc/40/10/99/1069401099.db2.gz RKWZENXUZPIYHL-HZPDHXFCSA-N 1 0 471.628 -0.210 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001611673889 1069400965 /nfs/dbraw/zinc/40/09/65/1069400965.db2.gz RKWZENXUZPIYHL-JKSUJKDBSA-N 1 0 471.628 -0.210 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611673986 1069401030 /nfs/dbraw/zinc/40/10/30/1069401030.db2.gz UMHTYCZFFHENTA-IKGGRYGDSA-N 1 0 498.654 -0.502 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611673987 1069400935 /nfs/dbraw/zinc/40/09/35/1069400935.db2.gz UMHTYCZFFHENTA-IXDOHACOSA-N 1 0 498.654 -0.502 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611673988 1069401082 /nfs/dbraw/zinc/40/10/82/1069401082.db2.gz UMHTYCZFFHENTA-ULQDDVLXSA-N 1 0 498.654 -0.502 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611673989 1069400972 /nfs/dbraw/zinc/40/09/72/1069400972.db2.gz UMHTYCZFFHENTA-YESZJQIVSA-N 1 0 498.654 -0.502 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001611675870 1069401565 /nfs/dbraw/zinc/40/15/65/1069401565.db2.gz PGMYJZCZDFVIPI-QXAKKESOSA-N 1 0 496.682 -0.123 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001611675871 1069401676 /nfs/dbraw/zinc/40/16/76/1069401676.db2.gz PGMYJZCZDFVIPI-UHOSZYNNSA-N 1 0 496.682 -0.123 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001611675872 1069401749 /nfs/dbraw/zinc/40/17/49/1069401749.db2.gz PGMYJZCZDFVIPI-WDSOQIARSA-N 1 0 496.682 -0.123 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001611675873 1069401579 /nfs/dbraw/zinc/40/15/79/1069401579.db2.gz PGMYJZCZDFVIPI-YTQUADARSA-N 1 0 496.682 -0.123 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611675938 1069401530 /nfs/dbraw/zinc/40/15/30/1069401530.db2.gz QNVLTDWGWFXLOH-UXLLHSPISA-N 1 0 469.612 -0.550 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611675939 1069401636 /nfs/dbraw/zinc/40/16/36/1069401636.db2.gz QNVLTDWGWFXLOH-YQQAZPJKSA-N 1 0 469.612 -0.550 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611675940 1069401722 /nfs/dbraw/zinc/40/17/22/1069401722.db2.gz QNVLTDWGWFXLOH-ZMSDIMECSA-N 1 0 469.612 -0.550 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611675941 1069401617 /nfs/dbraw/zinc/40/16/17/1069401617.db2.gz QNVLTDWGWFXLOH-ZOBUZTSGSA-N 1 0 469.612 -0.550 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001611676088 1069402335 /nfs/dbraw/zinc/40/23/35/1069402335.db2.gz SLAPCATYHOCVOD-BBWFWOEESA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001611676089 1069402416 /nfs/dbraw/zinc/40/24/16/1069402416.db2.gz SLAPCATYHOCVOD-GVDBMIGSSA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001611676090 1069402436 /nfs/dbraw/zinc/40/24/36/1069402436.db2.gz SLAPCATYHOCVOD-ULQDDVLXSA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001611676091 1069402324 /nfs/dbraw/zinc/40/23/24/1069402324.db2.gz SLAPCATYHOCVOD-YESZJQIVSA-N 1 0 469.612 -0.285 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCS(=O)(=O)N(C)C ZINC001611677168 1069402293 /nfs/dbraw/zinc/40/22/93/1069402293.db2.gz KYHHTWNAVVIHTQ-ILXRZTDVSA-N 1 0 463.630 -0.547 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCS(=O)(=O)N(C)C ZINC001611677169 1069402380 /nfs/dbraw/zinc/40/23/80/1069402380.db2.gz KYHHTWNAVVIHTQ-KKUMJFAQSA-N 1 0 463.630 -0.547 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCS(=O)(=O)N(C)C ZINC001611677170 1069402359 /nfs/dbraw/zinc/40/23/59/1069402359.db2.gz KYHHTWNAVVIHTQ-QLFBSQMISA-N 1 0 463.630 -0.547 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCS(=O)(=O)N(C)C ZINC001611677171 1069402947 /nfs/dbraw/zinc/40/29/47/1069402947.db2.gz KYHHTWNAVVIHTQ-SOUVJXGZSA-N 1 0 463.630 -0.547 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001611677506 1069403000 /nfs/dbraw/zinc/40/30/00/1069403000.db2.gz QOCOZZVBGBKZFZ-HRCADAONSA-N 1 0 469.612 -0.157 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001611677507 1069402898 /nfs/dbraw/zinc/40/28/98/1069402898.db2.gz QOCOZZVBGBKZFZ-JYJNAYRXSA-N 1 0 469.612 -0.157 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001611677508 1069403038 /nfs/dbraw/zinc/40/30/38/1069403038.db2.gz QOCOZZVBGBKZFZ-OWCLPIDISA-N 1 0 469.612 -0.157 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001611677509 1069402928 /nfs/dbraw/zinc/40/29/28/1069402928.db2.gz QOCOZZVBGBKZFZ-PMPSAXMXSA-N 1 0 469.612 -0.157 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611680991 1069403796 /nfs/dbraw/zinc/40/37/96/1069403796.db2.gz KMFJRSPWMFTKDX-DOXZYTNZSA-N 1 0 452.585 -0.318 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611680992 1069403736 /nfs/dbraw/zinc/40/37/36/1069403736.db2.gz KMFJRSPWMFTKDX-KHYOSLBOSA-N 1 0 452.585 -0.318 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611680993 1069403667 /nfs/dbraw/zinc/40/36/67/1069403667.db2.gz KMFJRSPWMFTKDX-QMTMVMCOSA-N 1 0 452.585 -0.318 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611680994 1069403639 /nfs/dbraw/zinc/40/36/39/1069403639.db2.gz KMFJRSPWMFTKDX-YZVOILCLSA-N 1 0 452.585 -0.318 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611684019 1069403652 /nfs/dbraw/zinc/40/36/52/1069403652.db2.gz DPGCZMGRDDGALS-DOTOQJQBSA-N 1 0 494.622 -0.083 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611684020 1069404212 /nfs/dbraw/zinc/40/42/12/1069404212.db2.gz DPGCZMGRDDGALS-NVXWUHKLSA-N 1 0 494.622 -0.083 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611684021 1069404283 /nfs/dbraw/zinc/40/42/83/1069404283.db2.gz DPGCZMGRDDGALS-RDJZCZTQSA-N 1 0 494.622 -0.083 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611684022 1069404349 /nfs/dbraw/zinc/40/43/49/1069404349.db2.gz DPGCZMGRDDGALS-WBVHZDCISA-N 1 0 494.622 -0.083 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCNC(=O)C1CC1 ZINC001611686258 1069404306 /nfs/dbraw/zinc/40/43/06/1069404306.db2.gz CYDHIGGVJBJUHU-INIZCTEOSA-N 1 0 483.639 -0.037 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCNC(=O)C1CC1 ZINC001611686259 1069404956 /nfs/dbraw/zinc/40/49/56/1069404956.db2.gz CYDHIGGVJBJUHU-MRXNPFEDSA-N 1 0 483.639 -0.037 20 0 JBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001611688508 1069404938 /nfs/dbraw/zinc/40/49/38/1069404938.db2.gz AAVBXCAJCSVOTB-KBPBESRZSA-N 1 0 477.657 -0.111 20 0 JBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001611688509 1069405057 /nfs/dbraw/zinc/40/50/57/1069405057.db2.gz AAVBXCAJCSVOTB-KGLIPLIRSA-N 1 0 477.657 -0.111 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001611688510 1069405069 /nfs/dbraw/zinc/40/50/69/1069405069.db2.gz AAVBXCAJCSVOTB-UONOGXRCSA-N 1 0 477.657 -0.111 20 0 JBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001611688511 1069404915 /nfs/dbraw/zinc/40/49/15/1069404915.db2.gz AAVBXCAJCSVOTB-ZIAGYGMSSA-N 1 0 477.657 -0.111 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001611688670 1069405049 /nfs/dbraw/zinc/40/50/49/1069405049.db2.gz CZPAYAMYUIWKPF-INIZCTEOSA-N 1 0 498.654 -0.007 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCNC3=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001611688671 1069404949 /nfs/dbraw/zinc/40/49/49/1069404949.db2.gz CZPAYAMYUIWKPF-MRXNPFEDSA-N 1 0 498.654 -0.007 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611689590 1069405650 /nfs/dbraw/zinc/40/56/50/1069405650.db2.gz SYVAULVKCCQQLL-HNNXBMFYSA-N 1 0 455.585 -0.379 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611689591 1069405574 /nfs/dbraw/zinc/40/55/74/1069405574.db2.gz SYVAULVKCCQQLL-OAHLLOKOSA-N 1 0 455.585 -0.379 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[NH+]1CCSCC1 ZINC001611689638 1069405674 /nfs/dbraw/zinc/40/56/74/1069405674.db2.gz UOBHTLIKNJCBDP-AWEZNQCLSA-N 1 0 495.697 -0.545 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[NH+]1CCSCC1 ZINC001611689639 1069405590 /nfs/dbraw/zinc/40/55/90/1069405590.db2.gz UOBHTLIKNJCBDP-CQSZACIVSA-N 1 0 495.697 -0.545 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001611689700 1069405705 /nfs/dbraw/zinc/40/57/05/1069405705.db2.gz VOJUHQRUMDOFTD-AWEZNQCLSA-N 1 0 457.601 -0.157 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001611689701 1069405566 /nfs/dbraw/zinc/40/55/66/1069405566.db2.gz VOJUHQRUMDOFTD-CQSZACIVSA-N 1 0 457.601 -0.157 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611689966 1069405687 /nfs/dbraw/zinc/40/56/87/1069405687.db2.gz ABDIGZQQBQBEQL-CVEARBPZSA-N 1 0 491.684 -0.462 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611689967 1069405548 /nfs/dbraw/zinc/40/55/48/1069405548.db2.gz ABDIGZQQBQBEQL-HOTGVXAUSA-N 1 0 491.684 -0.462 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611689968 1069405732 /nfs/dbraw/zinc/40/57/32/1069405732.db2.gz ABDIGZQQBQBEQL-HZPDHXFCSA-N 1 0 491.684 -0.462 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611689969 1069405631 /nfs/dbraw/zinc/40/56/31/1069405631.db2.gz ABDIGZQQBQBEQL-JKSUJKDBSA-N 1 0 491.684 -0.462 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[NH+]1CCCC1 ZINC001611690806 1069406760 /nfs/dbraw/zinc/40/67/60/1069406760.db2.gz OYGCVVWEZFRXRE-AWEZNQCLSA-N 1 0 468.584 -0.495 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[NH+]1CCCC1 ZINC001611690807 1069407425 /nfs/dbraw/zinc/40/74/25/1069407425.db2.gz OYGCVVWEZFRXRE-CQSZACIVSA-N 1 0 468.584 -0.495 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001611691186 1069407372 /nfs/dbraw/zinc/40/73/72/1069407372.db2.gz UNPRSJFZFYJXAR-DZKIICNBSA-N 1 0 460.626 -0.004 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001611691187 1069407404 /nfs/dbraw/zinc/40/74/04/1069407404.db2.gz UNPRSJFZFYJXAR-LZWOXQAQSA-N 1 0 460.626 -0.004 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001611691188 1069407384 /nfs/dbraw/zinc/40/73/84/1069407384.db2.gz UNPRSJFZFYJXAR-OFQRWUPVSA-N 1 0 460.626 -0.004 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001611691189 1069407431 /nfs/dbraw/zinc/40/74/31/1069407431.db2.gz UNPRSJFZFYJXAR-SQWLQELKSA-N 1 0 460.626 -0.004 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC001611692796 1069407420 /nfs/dbraw/zinc/40/74/20/1069407420.db2.gz YPSSATBDMCZENL-JXFKEZNVSA-N 1 0 483.639 -0.160 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC001611692797 1069408066 /nfs/dbraw/zinc/40/80/66/1069408066.db2.gz YPSSATBDMCZENL-OXJNMPFZSA-N 1 0 483.639 -0.160 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC001611692798 1069408023 /nfs/dbraw/zinc/40/80/23/1069408023.db2.gz YPSSATBDMCZENL-OXQOHEQNSA-N 1 0 483.639 -0.160 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC001611692799 1069408156 /nfs/dbraw/zinc/40/81/56/1069408156.db2.gz YPSSATBDMCZENL-UZLBHIALSA-N 1 0 483.639 -0.160 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611692824 1069408145 /nfs/dbraw/zinc/40/81/45/1069408145.db2.gz ZGLUEJXUUVSNOQ-FTRWYGJKSA-N 1 0 469.612 -0.549 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611692825 1069408012 /nfs/dbraw/zinc/40/80/12/1069408012.db2.gz ZGLUEJXUUVSNOQ-RZQQEMMASA-N 1 0 469.612 -0.549 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611692826 1069407959 /nfs/dbraw/zinc/40/79/59/1069407959.db2.gz ZGLUEJXUUVSNOQ-TWOQFEAHSA-N 1 0 469.612 -0.549 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611692827 1069408115 /nfs/dbraw/zinc/40/81/15/1069408115.db2.gz ZGLUEJXUUVSNOQ-YRNRMSPPSA-N 1 0 469.612 -0.549 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611693824 1069408127 /nfs/dbraw/zinc/40/81/27/1069408127.db2.gz FJQWFWKQRHFSQH-CVEARBPZSA-N 1 0 470.644 -0.384 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611693825 1069408030 /nfs/dbraw/zinc/40/80/30/1069408030.db2.gz FJQWFWKQRHFSQH-HOTGVXAUSA-N 1 0 470.644 -0.384 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611693826 1069407977 /nfs/dbraw/zinc/40/79/77/1069407977.db2.gz FJQWFWKQRHFSQH-HZPDHXFCSA-N 1 0 470.644 -0.384 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611693827 1069408080 /nfs/dbraw/zinc/40/80/80/1069408080.db2.gz FJQWFWKQRHFSQH-JKSUJKDBSA-N 1 0 470.644 -0.384 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001611697368 1069409158 /nfs/dbraw/zinc/40/91/58/1069409158.db2.gz UEXWTCVDJVIREY-CVEARBPZSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001611697369 1069409057 /nfs/dbraw/zinc/40/90/57/1069409057.db2.gz UEXWTCVDJVIREY-HOTGVXAUSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001611697370 1069409018 /nfs/dbraw/zinc/40/90/18/1069409018.db2.gz UEXWTCVDJVIREY-HZPDHXFCSA-N 1 0 477.657 -0.156 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001611697371 1069409948 /nfs/dbraw/zinc/40/99/48/1069409948.db2.gz UEXWTCVDJVIREY-JKSUJKDBSA-N 1 0 477.657 -0.156 20 0 JBADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)CC1 ZINC001611700441 1069409860 /nfs/dbraw/zinc/40/98/60/1069409860.db2.gz BVTYYFJWMBBJLX-AWEZNQCLSA-N 1 0 451.619 -0.642 20 0 JBADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)CC1 ZINC001611700442 1069409913 /nfs/dbraw/zinc/40/99/13/1069409913.db2.gz BVTYYFJWMBBJLX-CQSZACIVSA-N 1 0 451.619 -0.642 20 0 JBADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 ZINC001611700443 1069409827 /nfs/dbraw/zinc/40/98/27/1069409827.db2.gz BXBRMMOWHYDQIP-INIZCTEOSA-N 1 0 477.657 -0.156 20 0 JBADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCS2(=O)=O)CC1 ZINC001611700444 1069409794 /nfs/dbraw/zinc/40/97/94/1069409794.db2.gz BXBRMMOWHYDQIP-MRXNPFEDSA-N 1 0 477.657 -0.156 20 0 JBADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001611701267 1069409706 /nfs/dbraw/zinc/40/97/06/1069409706.db2.gz RPOVVHUMPWMUTQ-CRAIPNDOSA-N 1 0 478.641 -0.642 20 0 JBADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001611701268 1069409934 /nfs/dbraw/zinc/40/99/34/1069409934.db2.gz RPOVVHUMPWMUTQ-MAUKXSAKSA-N 1 0 478.641 -0.642 20 0 JBADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001611701269 1069409765 /nfs/dbraw/zinc/40/97/65/1069409765.db2.gz RPOVVHUMPWMUTQ-QAPCUYQASA-N 1 0 478.641 -0.642 20 0 JBADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001611701270 1069409739 /nfs/dbraw/zinc/40/97/39/1069409739.db2.gz RPOVVHUMPWMUTQ-YJBOKZPZSA-N 1 0 478.641 -0.642 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)O ZINC001611702467 1069410466 /nfs/dbraw/zinc/41/04/66/1069410466.db2.gz BHUPDDMZKAERRR-CABCVRRESA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)O ZINC001611702468 1069410568 /nfs/dbraw/zinc/41/05/68/1069410568.db2.gz BHUPDDMZKAERRR-GJZGRUSLSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)O ZINC001611702469 1069410433 /nfs/dbraw/zinc/41/04/33/1069410433.db2.gz BHUPDDMZKAERRR-HUUCEWRRSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)O ZINC001611702470 1069410296 /nfs/dbraw/zinc/41/02/96/1069410296.db2.gz BHUPDDMZKAERRR-LSDHHAIUSA-N 1 0 457.601 -0.598 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)N(C)C ZINC001611702873 1069411113 /nfs/dbraw/zinc/41/11/13/1069411113.db2.gz KFSQCWCBPQVZOI-CVEARBPZSA-N 1 0 457.601 -0.475 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)N(C)C ZINC001611702874 1069411099 /nfs/dbraw/zinc/41/10/99/1069411099.db2.gz KFSQCWCBPQVZOI-HOTGVXAUSA-N 1 0 457.601 -0.475 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611702963 1069411780 /nfs/dbraw/zinc/41/17/80/1069411780.db2.gz MFCZKVLFLSTWLO-CADBVGFASA-N 1 0 486.639 -0.023 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001611702964 1069411703 /nfs/dbraw/zinc/41/17/03/1069411703.db2.gz MFCZKVLFLSTWLO-YDZRNGNQSA-N 1 0 486.639 -0.023 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCn1cccn1 ZINC001611703329 1069412599 /nfs/dbraw/zinc/41/25/99/1069412599.db2.gz SWIVIXWTFIZHJZ-MSOLQXFVSA-N 1 0 493.638 -0.082 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCn1cccn1 ZINC001611703330 1069412630 /nfs/dbraw/zinc/41/26/30/1069412630.db2.gz SWIVIXWTFIZHJZ-QZTJIDSGSA-N 1 0 493.638 -0.082 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCn1cccn1 ZINC001611703331 1069412409 /nfs/dbraw/zinc/41/24/09/1069412409.db2.gz SWIVIXWTFIZHJZ-ROUUACIJSA-N 1 0 493.638 -0.082 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCn1cccn1 ZINC001611703332 1069412334 /nfs/dbraw/zinc/41/23/34/1069412334.db2.gz SWIVIXWTFIZHJZ-ZWKOTPCHSA-N 1 0 493.638 -0.082 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1COCCO1 ZINC001611703389 1069412448 /nfs/dbraw/zinc/41/24/48/1069412448.db2.gz URBXFWFDAAFLOE-KSZLIROESA-N 1 0 472.612 -0.148 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1COCCO1 ZINC001611703390 1069412435 /nfs/dbraw/zinc/41/24/35/1069412435.db2.gz URBXFWFDAAFLOE-KURKYZTESA-N 1 0 472.612 -0.148 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(C)CN(C)C1=O ZINC001611703554 1069413344 /nfs/dbraw/zinc/41/33/44/1069413344.db2.gz XTAHKLHUXIVDMQ-FIKGOQFSSA-N 1 0 483.639 -0.085 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001611703555 1069413183 /nfs/dbraw/zinc/41/31/83/1069413183.db2.gz XTAHKLHUXIVDMQ-LLGFUMIMSA-N 1 0 483.639 -0.085 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(C)CN(C)C1=O ZINC001611703556 1069413158 /nfs/dbraw/zinc/41/31/58/1069413158.db2.gz XTAHKLHUXIVDMQ-WWMYMODYSA-N 1 0 483.639 -0.085 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(C)CN(C)C1=O ZINC001611703557 1069413280 /nfs/dbraw/zinc/41/32/80/1069413280.db2.gz XTAHKLHUXIVDMQ-XGHQBKJUSA-N 1 0 483.639 -0.085 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCc1ccn(C)n1 ZINC001611703582 1069413359 /nfs/dbraw/zinc/41/33/59/1069413359.db2.gz YDDVCWLNKLTMFX-AEFFLSMTSA-N 1 0 493.638 -0.393 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCc1ccn(C)n1 ZINC001611703583 1069413196 /nfs/dbraw/zinc/41/31/96/1069413196.db2.gz YDDVCWLNKLTMFX-FUHWJXTLSA-N 1 0 493.638 -0.393 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCc1ccn(C)n1 ZINC001611703584 1069413231 /nfs/dbraw/zinc/41/32/31/1069413231.db2.gz YDDVCWLNKLTMFX-SJLPKXTDSA-N 1 0 493.638 -0.393 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCc1ccn(C)n1 ZINC001611703585 1069413301 /nfs/dbraw/zinc/41/33/01/1069413301.db2.gz YDDVCWLNKLTMFX-WMZOPIPTSA-N 1 0 493.638 -0.393 20 0 JBADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNS(C)(=O)=O)CC1 ZINC001611704659 1069413804 /nfs/dbraw/zinc/41/38/04/1069413804.db2.gz GGBHWUJTWFANNX-AWEZNQCLSA-N 1 0 451.619 -0.642 20 0 JBADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNS(C)(=O)=O)CC1 ZINC001611704660 1069413903 /nfs/dbraw/zinc/41/39/03/1069413903.db2.gz GGBHWUJTWFANNX-CQSZACIVSA-N 1 0 451.619 -0.642 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[NH+]1CCCC1 ZINC001611704665 1069413842 /nfs/dbraw/zinc/41/38/42/1069413842.db2.gz GKGHOMDOCRAABZ-KRWDZBQOSA-N 1 0 484.627 -0.442 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[NH+]1CCCC1 ZINC001611704666 1069413814 /nfs/dbraw/zinc/41/38/14/1069413814.db2.gz GKGHOMDOCRAABZ-QGZVFWFLSA-N 1 0 484.627 -0.442 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCc1ccn(C)n1 ZINC001611704959 1069414648 /nfs/dbraw/zinc/41/46/48/1069414648.db2.gz LBLFCTNMSPVZKO-KRWDZBQOSA-N 1 0 493.638 -0.391 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCc1ccn(C)n1 ZINC001611704960 1069414528 /nfs/dbraw/zinc/41/45/28/1069414528.db2.gz LBLFCTNMSPVZKO-QGZVFWFLSA-N 1 0 493.638 -0.391 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)O ZINC001611705167 1069414592 /nfs/dbraw/zinc/41/45/92/1069414592.db2.gz ODMRBWNGAXTXTG-HNNXBMFYSA-N 1 0 457.601 -0.596 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)O ZINC001611705168 1069414667 /nfs/dbraw/zinc/41/46/67/1069414667.db2.gz ODMRBWNGAXTXTG-OAHLLOKOSA-N 1 0 457.601 -0.596 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCCO1 ZINC001611705599 1069415163 /nfs/dbraw/zinc/41/51/63/1069415163.db2.gz VXFOIWGKAPVMQK-DLBZAZTESA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCCO1 ZINC001611705600 1069415109 /nfs/dbraw/zinc/41/51/09/1069415109.db2.gz VXFOIWGKAPVMQK-IAGOWNOFSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001611707335 1069416447 /nfs/dbraw/zinc/41/64/47/1069416447.db2.gz PEUGXPCVMIMZGN-INIZCTEOSA-N 1 0 477.595 -0.263 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001611707336 1069416408 /nfs/dbraw/zinc/41/64/08/1069416408.db2.gz PEUGXPCVMIMZGN-MRXNPFEDSA-N 1 0 477.595 -0.263 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCNS(C)(=O)=O ZINC001611707743 1069416421 /nfs/dbraw/zinc/41/64/21/1069416421.db2.gz XKLOLSPHXFBPCO-HNNXBMFYSA-N 1 0 477.657 -0.108 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCNS(C)(=O)=O ZINC001611707744 1069416440 /nfs/dbraw/zinc/41/64/40/1069416440.db2.gz XKLOLSPHXFBPCO-OAHLLOKOSA-N 1 0 477.657 -0.108 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(=O)N(C)C ZINC001611708495 1069416511 /nfs/dbraw/zinc/41/65/11/1069416511.db2.gz ACCWDOWBBBXCOP-GJZGRUSLSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(=O)N(C)C ZINC001611708496 1069416486 /nfs/dbraw/zinc/41/64/86/1069416486.db2.gz ACCWDOWBBBXCOP-LSDHHAIUSA-N 1 0 457.601 -0.334 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001611708691 1069417093 /nfs/dbraw/zinc/41/70/93/1069417093.db2.gz DPEMYKVPKVINPJ-DOTOQJQBSA-N 1 0 489.668 -0.013 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001611708692 1069417102 /nfs/dbraw/zinc/41/71/02/1069417102.db2.gz DPEMYKVPKVINPJ-NVXWUHKLSA-N 1 0 489.668 -0.013 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001611708693 1069417090 /nfs/dbraw/zinc/41/70/90/1069417090.db2.gz DPEMYKVPKVINPJ-RDJZCZTQSA-N 1 0 489.668 -0.013 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001611708694 1069417083 /nfs/dbraw/zinc/41/70/83/1069417083.db2.gz DPEMYKVPKVINPJ-WBVHZDCISA-N 1 0 489.668 -0.013 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001611708725 1069417662 /nfs/dbraw/zinc/41/76/62/1069417662.db2.gz FDLNKRRVYBNAFX-HNNXBMFYSA-N 1 0 493.656 -0.919 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001611708726 1069417713 /nfs/dbraw/zinc/41/77/13/1069417713.db2.gz FDLNKRRVYBNAFX-OAHLLOKOSA-N 1 0 493.656 -0.919 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611708941 1069417610 /nfs/dbraw/zinc/41/76/10/1069417610.db2.gz JEKVGOZFNQDAKV-HNNXBMFYSA-N 1 0 461.614 -0.768 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611708942 1069417556 /nfs/dbraw/zinc/41/75/56/1069417556.db2.gz JEKVGOZFNQDAKV-OAHLLOKOSA-N 1 0 461.614 -0.768 20 0 JBADRO CC(C)[N@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001611708961 1069417695 /nfs/dbraw/zinc/41/76/95/1069417695.db2.gz JKJBJYURXRBNHT-HNNXBMFYSA-N 1 0 465.646 -0.300 20 0 JBADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001611708962 1069417644 /nfs/dbraw/zinc/41/76/44/1069417644.db2.gz JKJBJYURXRBNHT-OAHLLOKOSA-N 1 0 465.646 -0.300 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001611709073 1069418189 /nfs/dbraw/zinc/41/81/89/1069418189.db2.gz KSNUKBHPOBVMTA-KRWDZBQOSA-N 1 0 484.671 -0.027 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001611709074 1069418084 /nfs/dbraw/zinc/41/80/84/1069418084.db2.gz KSNUKBHPOBVMTA-QGZVFWFLSA-N 1 0 484.671 -0.027 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCNC(=O)C1CC1 ZINC001611709079 1069418202 /nfs/dbraw/zinc/41/82/02/1069418202.db2.gz KTNIYUFAWIBJAP-INIZCTEOSA-N 1 0 483.639 -0.037 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCNC(=O)C1CC1 ZINC001611709080 1069418245 /nfs/dbraw/zinc/41/82/45/1069418245.db2.gz KTNIYUFAWIBJAP-MRXNPFEDSA-N 1 0 483.639 -0.037 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611709497 1069419921 /nfs/dbraw/zinc/41/99/21/1069419921.db2.gz RUPHKVBKKQQWEO-BBWFWOEESA-N 1 0 469.612 -0.454 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611709498 1069420594 /nfs/dbraw/zinc/42/05/94/1069420594.db2.gz RUPHKVBKKQQWEO-GVDBMIGSSA-N 1 0 469.612 -0.454 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611709499 1069420742 /nfs/dbraw/zinc/42/07/42/1069420742.db2.gz RUPHKVBKKQQWEO-ULQDDVLXSA-N 1 0 469.612 -0.454 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611709500 1069420730 /nfs/dbraw/zinc/42/07/30/1069420730.db2.gz RUPHKVBKKQQWEO-YESZJQIVSA-N 1 0 469.612 -0.454 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611709503 1069420646 /nfs/dbraw/zinc/42/06/46/1069420646.db2.gz RWEYGRLFMGTGFJ-KRWDZBQOSA-N 1 0 480.639 -0.449 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001611709504 1069420667 /nfs/dbraw/zinc/42/06/67/1069420667.db2.gz RWEYGRLFMGTGFJ-QGZVFWFLSA-N 1 0 480.639 -0.449 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611709549 1069420588 /nfs/dbraw/zinc/42/05/88/1069420588.db2.gz SNAHVQFDTFEUEF-CXAGYDPISA-N 1 0 451.544 -0.658 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611709550 1069420583 /nfs/dbraw/zinc/42/05/83/1069420583.db2.gz SNAHVQFDTFEUEF-DYVFJYSZSA-N 1 0 451.544 -0.658 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001611709551 1069420751 /nfs/dbraw/zinc/42/07/51/1069420751.db2.gz SNAHVQFDTFEUEF-GUYCJALGSA-N 1 0 451.544 -0.658 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001611709552 1069420692 /nfs/dbraw/zinc/42/06/92/1069420692.db2.gz SNAHVQFDTFEUEF-SUMWQHHRSA-N 1 0 451.544 -0.658 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001611710539 1069422094 /nfs/dbraw/zinc/42/20/94/1069422094.db2.gz BFVVQTITHZZTPM-AEFFLSMTSA-N 1 0 498.654 -0.197 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001611710540 1069422001 /nfs/dbraw/zinc/42/20/01/1069422001.db2.gz BFVVQTITHZZTPM-FUHWJXTLSA-N 1 0 498.654 -0.197 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001611710541 1069421848 /nfs/dbraw/zinc/42/18/48/1069421848.db2.gz BFVVQTITHZZTPM-SJLPKXTDSA-N 1 0 498.654 -0.197 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001611710542 1069421943 /nfs/dbraw/zinc/42/19/43/1069421943.db2.gz BFVVQTITHZZTPM-WMZOPIPTSA-N 1 0 498.654 -0.197 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001611710783 1069422503 /nfs/dbraw/zinc/42/25/03/1069422503.db2.gz FIMOOTGZPXXTQY-FHWLQOOXSA-N 1 0 485.655 -0.354 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001611710784 1069422402 /nfs/dbraw/zinc/42/24/02/1069422402.db2.gz FIMOOTGZPXXTQY-GBESFXJTSA-N 1 0 485.655 -0.354 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001611710785 1069422789 /nfs/dbraw/zinc/42/27/89/1069422789.db2.gz FIMOOTGZPXXTQY-IPMKNSEASA-N 1 0 485.655 -0.354 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001611710786 1069422657 /nfs/dbraw/zinc/42/26/57/1069422657.db2.gz FIMOOTGZPXXTQY-OTWHNJEPSA-N 1 0 485.655 -0.354 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001611710849 1069422569 /nfs/dbraw/zinc/42/25/69/1069422569.db2.gz GLJHRXICGXGNIQ-CABCVRRESA-N 1 0 470.600 -0.787 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001611710850 1069422463 /nfs/dbraw/zinc/42/24/63/1069422463.db2.gz GLJHRXICGXGNIQ-GJZGRUSLSA-N 1 0 470.600 -0.787 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001611710851 1069422765 /nfs/dbraw/zinc/42/27/65/1069422765.db2.gz GLJHRXICGXGNIQ-HUUCEWRRSA-N 1 0 470.600 -0.787 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001611710852 1069422604 /nfs/dbraw/zinc/42/26/04/1069422604.db2.gz GLJHRXICGXGNIQ-LSDHHAIUSA-N 1 0 470.600 -0.787 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711187 1069423247 /nfs/dbraw/zinc/42/32/47/1069423247.db2.gz KYPQWWHISYDJHM-DLBZAZTESA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711188 1069423192 /nfs/dbraw/zinc/42/31/92/1069423192.db2.gz KYPQWWHISYDJHM-IAGOWNOFSA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711189 1069423268 /nfs/dbraw/zinc/42/32/68/1069423268.db2.gz KYPQWWHISYDJHM-IRXDYDNUSA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001611711190 1069423299 /nfs/dbraw/zinc/42/32/99/1069423299.db2.gz KYPQWWHISYDJHM-SJORKVTESA-N 1 0 471.628 -0.744 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611711337 1069423124 /nfs/dbraw/zinc/42/31/24/1069423124.db2.gz MQZLCDWIILDJTH-DLBZAZTESA-N 1 0 482.655 -0.275 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611711338 1069424174 /nfs/dbraw/zinc/42/41/74/1069424174.db2.gz MQZLCDWIILDJTH-IAGOWNOFSA-N 1 0 482.655 -0.275 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611711339 1069423871 /nfs/dbraw/zinc/42/38/71/1069423871.db2.gz MQZLCDWIILDJTH-IRXDYDNUSA-N 1 0 482.655 -0.275 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611711340 1069424091 /nfs/dbraw/zinc/42/40/91/1069424091.db2.gz MQZLCDWIILDJTH-SJORKVTESA-N 1 0 482.655 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1 0 469.612 -0.188 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001611711705 1069424808 /nfs/dbraw/zinc/42/48/08/1069424808.db2.gz SADWYDOXPXVAJH-IRXDYDNUSA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC(=O)N1CCOCC1 ZINC001611711706 1069424755 /nfs/dbraw/zinc/42/47/55/1069424755.db2.gz SADWYDOXPXVAJH-SJORKVTESA-N 1 0 469.612 -0.188 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001611715206 1069425869 /nfs/dbraw/zinc/42/58/69/1069425869.db2.gz BGUMUBNPHDVAHW-AWEZNQCLSA-N 1 0 464.614 -0.766 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001611715207 1069426044 /nfs/dbraw/zinc/42/60/44/1069426044.db2.gz BGUMUBNPHDVAHW-CQSZACIVSA-N 1 0 464.614 -0.766 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611715682 1069426708 /nfs/dbraw/zinc/42/67/08/1069426708.db2.gz KHIUYVGWMFXTTI-CVEARBPZSA-N 1 0 489.668 -0.600 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001611715683 1069426553 /nfs/dbraw/zinc/42/65/53/1069426553.db2.gz KHIUYVGWMFXTTI-HOTGVXAUSA-N 1 0 489.668 -0.600 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611715684 1069426594 /nfs/dbraw/zinc/42/65/94/1069426594.db2.gz KHIUYVGWMFXTTI-HZPDHXFCSA-N 1 0 489.668 -0.600 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001611715685 1069426676 /nfs/dbraw/zinc/42/66/76/1069426676.db2.gz KHIUYVGWMFXTTI-JKSUJKDBSA-N 1 0 489.668 -0.600 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001611716192 1069427192 /nfs/dbraw/zinc/42/71/92/1069427192.db2.gz RVILNLGOZIYYHY-HNNXBMFYSA-N 1 0 478.641 -0.642 20 0 JBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001611716193 1069426920 /nfs/dbraw/zinc/42/69/20/1069426920.db2.gz RVILNLGOZIYYHY-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/42/70/88/1069427088.db2.gz BSJBTHLELBZYGC-KSZLIROESA-N 1 0 496.682 -0.123 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001611716695 1069427653 /nfs/dbraw/zinc/42/76/53/1069427653.db2.gz BSJBTHLELBZYGC-KURKYZTESA-N 1 0 496.682 -0.123 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001611717278 1069427840 /nfs/dbraw/zinc/42/78/40/1069427840.db2.gz MXKRILZBEXLSHL-KFWWJZLASA-N 1 0 459.573 -0.599 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001611717279 1069427641 /nfs/dbraw/zinc/42/76/41/1069427641.db2.gz MXKRILZBEXLSHL-ZNMIVQPWSA-N 1 0 459.573 -0.599 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611717366 1069427796 /nfs/dbraw/zinc/42/77/96/1069427796.db2.gz OINRRVSMARINBZ-BDXSIMOUSA-N 1 0 483.639 -0.303 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001611717367 1069428370 /nfs/dbraw/zinc/42/83/70/1069428370.db2.gz OINRRVSMARINBZ-MHORFTMASA-N 1 0 483.639 -0.303 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611717368 1069428419 /nfs/dbraw/zinc/42/84/19/1069428419.db2.gz OINRRVSMARINBZ-MLHJIOFPSA-N 1 0 483.639 -0.303 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001611717369 1069428327 /nfs/dbraw/zinc/42/83/27/1069428327.db2.gz OINRRVSMARINBZ-TVFCKZIOSA-N 1 0 483.639 -0.303 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001611718695 1069428578 /nfs/dbraw/zinc/42/85/78/1069428578.db2.gz DRJGZXJPLHYBSV-LUKYLMHMSA-N 1 0 458.585 -0.313 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001611718696 1069428469 /nfs/dbraw/zinc/42/84/69/1069428469.db2.gz DRJGZXJPLHYBSV-TWMKSMIVSA-N 1 0 458.585 -0.313 20 0 JBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001611718697 1069428276 /nfs/dbraw/zinc/42/82/76/1069428276.db2.gz DRJGZXJPLHYBSV-VQHPVUNQSA-N 1 0 458.585 -0.313 20 0 JBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001611718698 1069428540 /nfs/dbraw/zinc/42/85/40/1069428540.db2.gz DRJGZXJPLHYBSV-VVLHAWIVSA-N 1 0 458.585 -0.313 20 0 JBADRO C[C@]1(C(N)=O)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CC=CCC2)C1 ZINC001611777328 1069429052 /nfs/dbraw/zinc/42/90/52/1069429052.db2.gz YWYZLGJFUFZRKO-JXFKEZNVSA-N 1 0 467.596 -0.425 20 0 JBADRO C[C@@]1(C(N)=O)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CC=CCC2)C1 ZINC001611777329 1069428922 /nfs/dbraw/zinc/42/89/22/1069428922.db2.gz YWYZLGJFUFZRKO-OXJNMPFZSA-N 1 0 467.596 -0.425 20 0 JBADRO C[C@@]1(C(N)=O)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CC=CCC2)C1 ZINC001611777330 1069428956 /nfs/dbraw/zinc/42/89/56/1069428956.db2.gz YWYZLGJFUFZRKO-OXQOHEQNSA-N 1 0 467.596 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20 0 JBADRO Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)n[nH]1 ZINC001612419297 1069434620 /nfs/dbraw/zinc/43/46/20/1069434620.db2.gz WTIWYJLSLBTPSJ-ZBFHGGJFSA-N 1 0 467.600 -0.284 20 0 JBADRO Cc1cc(C)n(Cc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001612493556 1069436202 /nfs/dbraw/zinc/43/62/02/1069436202.db2.gz YXALKPDVQVDWNC-NRFANRHFSA-N 1 0 480.639 -0.028 20 0 JBADRO Cc1cc(C)n(Cc2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001612493557 1069436413 /nfs/dbraw/zinc/43/64/13/1069436413.db2.gz YXALKPDVQVDWNC-OAQYLSRUSA-N 1 0 480.639 -0.028 20 0 JBADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001612558049 1069438275 /nfs/dbraw/zinc/43/82/75/1069438275.db2.gz MIBZFUOQTGERHT-NRFANRHFSA-N 1 0 468.624 -0.045 20 0 JBADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001612558050 1069438301 /nfs/dbraw/zinc/43/83/01/1069438301.db2.gz MIBZFUOQTGERHT-OAQYLSRUSA-N 1 0 468.624 -0.045 20 0 JBADRO 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-0.238 20 0 JBADRO CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001615102078 1069477767 /nfs/dbraw/zinc/47/77/67/1069477767.db2.gz PVNRNEYZMWICMO-ZACQAIPSSA-N 1 0 469.612 -0.238 20 0 JBADRO CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001615102771 1069477744 /nfs/dbraw/zinc/47/77/44/1069477744.db2.gz WLFAFZOYHPGXPY-KRWDZBQOSA-N 1 0 471.628 -0.133 20 0 JBADRO CCN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001615102772 1069477665 /nfs/dbraw/zinc/47/76/65/1069477665.db2.gz WLFAFZOYHPGXPY-QGZVFWFLSA-N 1 0 471.628 -0.133 20 0 JBADRO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001615242822 1069480101 /nfs/dbraw/zinc/48/01/01/1069480101.db2.gz OJTIKIYBKJVBID-DLBZAZTESA-N 1 0 492.668 -0.035 20 0 JBADRO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001615242825 1069480167 /nfs/dbraw/zinc/48/01/67/1069480167.db2.gz OJTIKIYBKJVBID-IAGOWNOFSA-N 1 0 492.668 -0.035 20 0 JBADRO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001615242827 1069480189 /nfs/dbraw/zinc/48/01/89/1069480189.db2.gz OJTIKIYBKJVBID-IRXDYDNUSA-N 1 0 492.668 -0.035 20 0 JBADRO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001615242830 1069480291 /nfs/dbraw/zinc/48/02/91/1069480291.db2.gz OJTIKIYBKJVBID-SJORKVTESA-N 1 0 492.668 -0.035 20 0 JBADRO CCN(CC)C(=O)CN1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001615324742 1069481596 /nfs/dbraw/zinc/48/15/96/1069481596.db2.gz OFIYXBGBLUTPCX-HSZRJFAPSA-N 1 0 478.642 -0.137 20 0 JBADRO CCN(CC)C(=O)CN1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001615324752 1069481555 /nfs/dbraw/zinc/48/15/55/1069481555.db2.gz OFIYXBGBLUTPCX-QHCPKHFHSA-N 1 0 478.642 -0.137 20 0 JBADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001615329457 1069481542 /nfs/dbraw/zinc/48/15/42/1069481542.db2.gz CQDGAKHNEICMIM-JOCHJYFZSA-N 1 0 459.599 -0.264 20 0 JBADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001615329459 1069481955 /nfs/dbraw/zinc/48/19/55/1069481955.db2.gz CQDGAKHNEICMIM-QFIPXVFZSA-N 1 0 459.599 -0.264 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001615358573 1069483406 /nfs/dbraw/zinc/48/34/06/1069483406.db2.gz UDIYZVJSJAUWMV-CEXWTWQISA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001615358574 1069483373 /nfs/dbraw/zinc/48/33/73/1069483373.db2.gz UDIYZVJSJAUWMV-GUDVDZBRSA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001615358575 1069483513 /nfs/dbraw/zinc/48/35/13/1069483513.db2.gz UDIYZVJSJAUWMV-QRVBRYPASA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001615358576 1069483473 /nfs/dbraw/zinc/48/34/73/1069483473.db2.gz UDIYZVJSJAUWMV-QYZOEREBSA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001615359062 1069483390 /nfs/dbraw/zinc/48/33/90/1069483390.db2.gz YUBFCZNTRBXGED-CVEARBPZSA-N 1 0 462.642 -0.090 20 0 JBADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001615359067 1069483422 /nfs/dbraw/zinc/48/34/22/1069483422.db2.gz YUBFCZNTRBXGED-HOTGVXAUSA-N 1 0 462.642 -0.090 20 0 JBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001615359069 1069483525 /nfs/dbraw/zinc/48/35/25/1069483525.db2.gz YUBFCZNTRBXGED-HZPDHXFCSA-N 1 0 462.642 -0.090 20 0 JBADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001615359070 1069483509 /nfs/dbraw/zinc/48/35/09/1069483509.db2.gz YUBFCZNTRBXGED-JKSUJKDBSA-N 1 0 462.642 -0.090 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCOC2)CC1 ZINC001615410705 1069483302 /nfs/dbraw/zinc/48/33/02/1069483302.db2.gz BVMSGOZLAFZSEE-JOCHJYFZSA-N 1 0 463.583 -0.344 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCOC2)CC1 ZINC001615410706 1069483360 /nfs/dbraw/zinc/48/33/60/1069483360.db2.gz BVMSGOZLAFZSEE-QFIPXVFZSA-N 1 0 463.583 -0.344 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCOCC2)CC1 ZINC001615410875 1069483498 /nfs/dbraw/zinc/48/34/98/1069483498.db2.gz DTHNHGLNTMTVGO-UHFFFAOYSA-N 1 0 492.625 -0.344 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc3n2CCC3)CC1 ZINC001615411002 1069483431 /nfs/dbraw/zinc/48/34/31/1069483431.db2.gz HQLOSXLWJSCVAN-UHFFFAOYSA-N 1 0 472.598 -0.007 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001615411075 1069484159 /nfs/dbraw/zinc/48/41/59/1069484159.db2.gz IOWKECZAFINHNA-HRAATJIYSA-N 1 0 498.654 -0.643 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001615411076 1069484087 /nfs/dbraw/zinc/48/40/87/1069484087.db2.gz IOWKECZAFINHNA-IERDGZPVSA-N 1 0 498.654 -0.643 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001615411077 1069483984 /nfs/dbraw/zinc/48/39/84/1069483984.db2.gz IOWKECZAFINHNA-IIBYNOLFSA-N 1 0 498.654 -0.643 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001615411078 1069484197 /nfs/dbraw/zinc/48/41/97/1069484197.db2.gz IOWKECZAFINHNA-KKSFZXQISA-N 1 0 498.654 -0.643 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cncn2)CC1 ZINC001615411088 1069484172 /nfs/dbraw/zinc/48/41/72/1069484172.db2.gz IYSFOLQQLPDDDA-UHFFFAOYSA-N 1 0 458.571 -0.204 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(=O)N2CCOCC2)CC1 ZINC001615415468 1069483929 /nfs/dbraw/zinc/48/39/29/1069483929.db2.gz AIRSOGBXACFVTE-UHFFFAOYSA-N 1 0 471.566 -0.416 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(C)(=O)=O)CC1 ZINC001615415946 1069484044 /nfs/dbraw/zinc/48/40/44/1069484044.db2.gz PUWNQKOFUXFBFS-HNNXBMFYSA-N 1 0 455.585 -0.736 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(C)(=O)=O)CC1 ZINC001615415947 1069484186 /nfs/dbraw/zinc/48/41/86/1069484186.db2.gz PUWNQKOFUXFBFS-OAHLLOKOSA-N 1 0 455.585 -0.736 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)C)CC1 ZINC001615416009 1069483944 /nfs/dbraw/zinc/48/39/44/1069483944.db2.gz RJGOBNLDCRZPNM-KRWDZBQOSA-N 1 0 462.599 -0.008 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)C)CC1 ZINC001615416010 1069483963 /nfs/dbraw/zinc/48/39/63/1069483963.db2.gz RJGOBNLDCRZPNM-QGZVFWFLSA-N 1 0 462.599 -0.008 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001615416047 1069484105 /nfs/dbraw/zinc/48/41/05/1069484105.db2.gz SBOKPFUFOGPYGA-KRWDZBQOSA-N 1 0 490.609 -0.498 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001615416048 1069484007 /nfs/dbraw/zinc/48/40/07/1069484007.db2.gz SBOKPFUFOGPYGA-QGZVFWFLSA-N 1 0 490.609 -0.498 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001615416058 1069483864 /nfs/dbraw/zinc/48/38/64/1069483864.db2.gz SXBPKEMOULFGPZ-MOPGFXCFSA-N 1 0 476.626 -0.060 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001615416059 1069484123 /nfs/dbraw/zinc/48/41/23/1069484123.db2.gz SXBPKEMOULFGPZ-OALUTQOASA-N 1 0 476.626 -0.060 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001615416060 1069483901 /nfs/dbraw/zinc/48/39/01/1069483901.db2.gz SXBPKEMOULFGPZ-RBUKOAKNSA-N 1 0 476.626 -0.060 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001615416061 1069484138 /nfs/dbraw/zinc/48/41/38/1069484138.db2.gz SXBPKEMOULFGPZ-RTBURBONSA-N 1 0 476.626 -0.060 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001615416147 1069484114 /nfs/dbraw/zinc/48/41/14/1069484114.db2.gz WVORFZBKSQPKLL-UHFFFAOYSA-N 1 0 483.581 -0.178 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N2CCOCC2)CC1 ZINC001615416284 1069484065 /nfs/dbraw/zinc/48/40/65/1069484065.db2.gz BFKCKTKNIIXQDY-GOSISDBHSA-N 1 0 463.583 -0.369 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N2CCOCC2)CC1 ZINC001615416285 1069484149 /nfs/dbraw/zinc/48/41/49/1069484149.db2.gz BFKCKTKNIIXQDY-SFHVURJKSA-N 1 0 463.583 -0.369 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001615416370 1069484867 /nfs/dbraw/zinc/48/48/67/1069484867.db2.gz FGCDZHDXQDVEAV-CEXWTWQISA-N 1 0 498.650 -0.290 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001615416371 1069484592 /nfs/dbraw/zinc/48/45/92/1069484592.db2.gz FGCDZHDXQDVEAV-GBESFXJTSA-N 1 0 498.650 -0.290 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NC(C)C)CC1 ZINC001615416452 1069484538 /nfs/dbraw/zinc/48/45/38/1069484538.db2.gz AMCSHLGMISWUPV-UHFFFAOYSA-N 1 0 462.599 -0.085 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001615416573 1069484580 /nfs/dbraw/zinc/48/45/80/1069484580.db2.gz HQFRXUXMZHMYJF-GOSISDBHSA-N 1 0 498.650 -0.288 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001615416583 1069484552 /nfs/dbraw/zinc/48/45/52/1069484552.db2.gz HQFRXUXMZHMYJF-SFHVURJKSA-N 1 0 498.650 -0.288 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2)CC1 ZINC001615416715 1069484745 /nfs/dbraw/zinc/48/47/45/1069484745.db2.gz JVCXWHJVJMUVLI-GOSISDBHSA-N 1 0 478.623 -0.048 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2)CC1 ZINC001615416716 1069484810 /nfs/dbraw/zinc/48/48/10/1069484810.db2.gz JVCXWHJVJMUVLI-SFHVURJKSA-N 1 0 478.623 -0.048 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(C)(=O)=O)CC1 ZINC001615417100 1069484760 /nfs/dbraw/zinc/48/47/60/1069484760.db2.gz NOTGVFFINRGURF-KRWDZBQOSA-N 1 0 471.628 -0.288 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(C)(=O)=O)CC1 ZINC001615417102 1069484640 /nfs/dbraw/zinc/48/46/40/1069484640.db2.gz NOTGVFFINRGURF-QGZVFWFLSA-N 1 0 471.628 -0.288 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)CC1 ZINC001615417371 1069484618 /nfs/dbraw/zinc/48/46/18/1069484618.db2.gz QGGWUJVNZJATSA-GOSISDBHSA-N 1 0 483.639 -0.192 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)CC1 ZINC001615417376 1069484656 /nfs/dbraw/zinc/48/46/56/1069484656.db2.gz QGGWUJVNZJATSA-SFHVURJKSA-N 1 0 483.639 -0.192 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)CC1 ZINC001615417686 1069484724 /nfs/dbraw/zinc/48/47/24/1069484724.db2.gz UTUREZXUVDWUCC-KRWDZBQOSA-N 1 0 499.638 -0.874 20 0 JBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)CC1 ZINC001615417688 1069484828 /nfs/dbraw/zinc/48/48/28/1069484828.db2.gz 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482.655 -0.275 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001615837474 1069496704 /nfs/dbraw/zinc/49/67/04/1069496704.db2.gz OLXPSNMBNOWAGG-IRXDYDNUSA-N 1 0 482.655 -0.275 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)C(=O)C2)CC1 ZINC001615837475 1069496492 /nfs/dbraw/zinc/49/64/92/1069496492.db2.gz OLXPSNMBNOWAGG-SJORKVTESA-N 1 0 482.655 -0.275 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)CC1 ZINC001615839086 1069496562 /nfs/dbraw/zinc/49/65/62/1069496562.db2.gz VJWUGACPIMXJTF-CBGDNZLLSA-N 1 0 498.654 -0.055 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)CC1 ZINC001615839090 1069496651 /nfs/dbraw/zinc/49/66/51/1069496651.db2.gz VJWUGACPIMXJTF-LLGFUMIMSA-N 1 0 498.654 -0.055 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)CC1 ZINC001615839093 1069496757 /nfs/dbraw/zinc/49/67/57/1069496757.db2.gz VJWUGACPIMXJTF-LZJOCLMNSA-N 1 0 498.654 -0.055 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)CC1 ZINC001615839098 1069496429 /nfs/dbraw/zinc/49/64/29/1069496429.db2.gz VJWUGACPIMXJTF-WWMYMODYSA-N 1 0 498.654 -0.055 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001615842117 1069496523 /nfs/dbraw/zinc/49/65/23/1069496523.db2.gz KCPDIDKNGLHSRH-GOSISDBHSA-N 1 0 459.599 0.000 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001615842123 1069496729 /nfs/dbraw/zinc/49/67/29/1069496729.db2.gz KCPDIDKNGLHSRH-SFHVURJKSA-N 1 0 459.599 0.000 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001615844290 1069496363 /nfs/dbraw/zinc/49/63/63/1069496363.db2.gz DMEIEKAROPGPKG-MOPGFXCFSA-N 1 0 496.682 -0.103 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001615844291 1069496741 /nfs/dbraw/zinc/49/67/41/1069496741.db2.gz DMEIEKAROPGPKG-OALUTQOASA-N 1 0 496.682 -0.103 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615844804 1069496594 /nfs/dbraw/zinc/49/65/94/1069496594.db2.gz UEHMBBXOCIBTOM-MSOLQXFVSA-N 1 0 482.655 -0.332 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615844808 1069496719 /nfs/dbraw/zinc/49/67/19/1069496719.db2.gz UEHMBBXOCIBTOM-QZTJIDSGSA-N 1 0 482.655 -0.332 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615844811 1069497603 /nfs/dbraw/zinc/49/76/03/1069497603.db2.gz UEHMBBXOCIBTOM-ROUUACIJSA-N 1 0 482.655 -0.332 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001615844814 1069497307 /nfs/dbraw/zinc/49/73/07/1069497307.db2.gz UEHMBBXOCIBTOM-ZWKOTPCHSA-N 1 0 482.655 -0.332 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001615844872 1069497545 /nfs/dbraw/zinc/49/75/45/1069497545.db2.gz UXMFBCBINTWNMX-CEXWTWQISA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001615844873 1069497397 /nfs/dbraw/zinc/49/73/97/1069497397.db2.gz UXMFBCBINTWNMX-GUDVDZBRSA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001615844874 1069497319 /nfs/dbraw/zinc/49/73/19/1069497319.db2.gz UXMFBCBINTWNMX-QRVBRYPASA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001615844875 1069497618 /nfs/dbraw/zinc/49/76/18/1069497618.db2.gz UXMFBCBINTWNMX-QYZOEREBSA-N 1 0 485.655 -0.138 20 0 JBADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001615846112 1069497519 /nfs/dbraw/zinc/49/75/19/1069497519.db2.gz VUQMGGDDRKCIHZ-FQEVSTJZSA-N 1 0 489.669 -0.363 20 0 JBADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001615846114 1069497332 /nfs/dbraw/zinc/49/73/32/1069497332.db2.gz VUQMGGDDRKCIHZ-HXUWFJFHSA-N 1 0 489.669 -0.363 20 0 JBADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001615847673 1069497444 /nfs/dbraw/zinc/49/74/44/1069497444.db2.gz HKMIKWNKTACSJU-INIZCTEOSA-N 1 0 454.597 -0.016 20 0 JBADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001615847674 1069497419 /nfs/dbraw/zinc/49/74/19/1069497419.db2.gz HKMIKWNKTACSJU-MRXNPFEDSA-N 1 0 454.597 -0.016 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001615848358 1069497570 /nfs/dbraw/zinc/49/75/70/1069497570.db2.gz IPQSTGSUEAYGOZ-CABCVRRESA-N 1 0 465.646 -0.254 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001615848360 1069497585 /nfs/dbraw/zinc/49/75/85/1069497585.db2.gz IPQSTGSUEAYGOZ-GJZGRUSLSA-N 1 0 465.646 -0.254 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001615848361 1069497363 /nfs/dbraw/zinc/49/73/63/1069497363.db2.gz IPQSTGSUEAYGOZ-HUUCEWRRSA-N 1 0 465.646 -0.254 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001615848362 1069497283 /nfs/dbraw/zinc/49/72/83/1069497283.db2.gz IPQSTGSUEAYGOZ-LSDHHAIUSA-N 1 0 465.646 -0.254 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615848636 1069497254 /nfs/dbraw/zinc/49/72/54/1069497254.db2.gz KIRXXYBHDYBJDO-IKGGRYGDSA-N 1 0 471.628 -0.086 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001615848637 1069497465 /nfs/dbraw/zinc/49/74/65/1069497465.db2.gz KIRXXYBHDYBJDO-IXDOHACOSA-N 1 0 471.628 -0.086 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615848638 1069497379 /nfs/dbraw/zinc/49/73/79/1069497379.db2.gz KIRXXYBHDYBJDO-ULQDDVLXSA-N 1 0 471.628 -0.086 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001615848639 1069497556 /nfs/dbraw/zinc/49/75/56/1069497556.db2.gz KIRXXYBHDYBJDO-YESZJQIVSA-N 1 0 471.628 -0.086 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)C[C@H]1C ZINC001615863698 1069497487 /nfs/dbraw/zinc/49/74/87/1069497487.db2.gz CUVSITLLQHFRIA-CVEARBPZSA-N 1 0 457.601 -0.380 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001615863699 1069497215 /nfs/dbraw/zinc/49/72/15/1069497215.db2.gz CUVSITLLQHFRIA-HOTGVXAUSA-N 1 0 457.601 -0.380 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)C[C@H]1C ZINC001615863700 1069498285 /nfs/dbraw/zinc/49/82/85/1069498285.db2.gz CUVSITLLQHFRIA-HZPDHXFCSA-N 1 0 457.601 -0.380 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)C[C@@H]1C ZINC001615863701 1069498081 /nfs/dbraw/zinc/49/80/81/1069498081.db2.gz CUVSITLLQHFRIA-JKSUJKDBSA-N 1 0 457.601 -0.380 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)C[C@@H]1C ZINC001615864783 1069498323 /nfs/dbraw/zinc/49/83/23/1069498323.db2.gz RRCAFURQBLHAKH-DOTOQJQBSA-N 1 0 457.601 -0.332 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)C[C@H]1C ZINC001615864784 1069498363 /nfs/dbraw/zinc/49/83/63/1069498363.db2.gz RRCAFURQBLHAKH-NVXWUHKLSA-N 1 0 457.601 -0.332 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)C[C@@H]1C ZINC001615864785 1069498053 /nfs/dbraw/zinc/49/80/53/1069498053.db2.gz RRCAFURQBLHAKH-RDJZCZTQSA-N 1 0 457.601 -0.332 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)C[C@H]1C ZINC001615864786 1069498155 /nfs/dbraw/zinc/49/81/55/1069498155.db2.gz RRCAFURQBLHAKH-WBVHZDCISA-N 1 0 457.601 -0.332 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001615864797 1069498387 /nfs/dbraw/zinc/49/83/87/1069498387.db2.gz RVOFGSOALSRKLW-CRAIPNDOSA-N 1 0 492.606 -0.316 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001615864798 1069498259 /nfs/dbraw/zinc/49/82/59/1069498259.db2.gz RVOFGSOALSRKLW-MAUKXSAKSA-N 1 0 492.606 -0.316 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001615864799 1069498439 /nfs/dbraw/zinc/49/84/39/1069498439.db2.gz RVOFGSOALSRKLW-QAPCUYQASA-N 1 0 492.606 -0.316 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001615864800 1069498066 /nfs/dbraw/zinc/49/80/66/1069498066.db2.gz RVOFGSOALSRKLW-YJBOKZPZSA-N 1 0 492.606 -0.316 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)C[C@@H]1C ZINC001615865203 1069498132 /nfs/dbraw/zinc/49/81/32/1069498132.db2.gz WUMNSQRKQUJGCH-DLBZAZTESA-N 1 0 460.601 -0.460 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)C[C@H]1C ZINC001615865204 1069498201 /nfs/dbraw/zinc/49/82/01/1069498201.db2.gz WUMNSQRKQUJGCH-IAGOWNOFSA-N 1 0 460.601 -0.460 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)C[C@@H]1C ZINC001615865205 1069498958 /nfs/dbraw/zinc/49/89/58/1069498958.db2.gz WUMNSQRKQUJGCH-IRXDYDNUSA-N 1 0 460.601 -0.460 20 0 JBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCO)C[C@H]1C ZINC001615865206 1069499064 /nfs/dbraw/zinc/49/90/64/1069499064.db2.gz WUMNSQRKQUJGCH-SJORKVTESA-N 1 0 460.601 -0.460 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)c3ccn[nH]3)C2)CC1 ZINC001615871831 1069498828 /nfs/dbraw/zinc/49/88/28/1069498828.db2.gz BRJYYXAALNKZPG-KRWDZBQOSA-N 1 0 472.598 -0.214 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCNC(=O)c3ccn[nH]3)C2)CC1 ZINC001615871832 1069498907 /nfs/dbraw/zinc/49/89/07/1069498907.db2.gz BRJYYXAALNKZPG-QGZVFWFLSA-N 1 0 472.598 -0.214 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCN3CCOC3=O)C2)CC1 ZINC001615874610 1069498994 /nfs/dbraw/zinc/49/89/94/1069498994.db2.gz GOCPUFYLACWGBY-MSOLQXFVSA-N 1 0 498.654 -0.053 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCCN3CCOC3=O)C2)CC1 ZINC001615874611 1069498807 /nfs/dbraw/zinc/49/88/07/1069498807.db2.gz GOCPUFYLACWGBY-QZTJIDSGSA-N 1 0 498.654 -0.053 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCN3CCOC3=O)C2)CC1 ZINC001615874612 1069498879 /nfs/dbraw/zinc/49/88/79/1069498879.db2.gz GOCPUFYLACWGBY-ROUUACIJSA-N 1 0 498.654 -0.053 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCCN3CCOC3=O)C2)CC1 ZINC001615874613 1069499082 /nfs/dbraw/zinc/49/90/82/1069499082.db2.gz GOCPUFYLACWGBY-ZWKOTPCHSA-N 1 0 498.654 -0.053 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001615874642 1069499036 /nfs/dbraw/zinc/49/90/36/1069499036.db2.gz HHSFSKZHLGOUOP-DLBZAZTESA-N 1 0 484.671 -0.123 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001615874643 1069498933 /nfs/dbraw/zinc/49/89/33/1069498933.db2.gz HHSFSKZHLGOUOP-IAGOWNOFSA-N 1 0 484.671 -0.123 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001615874644 1069498850 /nfs/dbraw/zinc/49/88/50/1069498850.db2.gz HHSFSKZHLGOUOP-IRXDYDNUSA-N 1 0 484.671 -0.123 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001615874645 1069499099 /nfs/dbraw/zinc/49/90/99/1069499099.db2.gz HHSFSKZHLGOUOP-SJORKVTESA-N 1 0 484.671 -0.123 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCS(=O)(=O)CC)C2)CC1 ZINC001615875110 1069498789 /nfs/dbraw/zinc/49/87/89/1069498789.db2.gz BYZYKHJDQOCNRE-DLBZAZTESA-N 1 0 453.613 -0.120 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCS(=O)(=O)CC)C2)CC1 ZINC001615875121 1069498865 /nfs/dbraw/zinc/49/88/65/1069498865.db2.gz BYZYKHJDQOCNRE-IAGOWNOFSA-N 1 0 453.613 -0.120 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)CC)C2)CC1 ZINC001615875122 1069498768 /nfs/dbraw/zinc/49/87/68/1069498768.db2.gz BYZYKHJDQOCNRE-IRXDYDNUSA-N 1 0 453.613 -0.120 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)CC)C2)CC1 ZINC001615875124 1069498982 /nfs/dbraw/zinc/49/89/82/1069498982.db2.gz BYZYKHJDQOCNRE-SJORKVTESA-N 1 0 453.613 -0.120 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001615875307 1069499691 /nfs/dbraw/zinc/49/96/91/1069499691.db2.gz FICRJCNQCWUUQQ-DLBZAZTESA-N 1 0 453.613 -0.120 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001615875310 1069499725 /nfs/dbraw/zinc/49/97/25/1069499725.db2.gz FICRJCNQCWUUQQ-IAGOWNOFSA-N 1 0 453.613 -0.120 20 0 JBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001615875313 1069499657 /nfs/dbraw/zinc/49/96/57/1069499657.db2.gz FICRJCNQCWUUQQ-IRXDYDNUSA-N 1 0 453.613 -0.120 20 0 JBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001615875315 1069499804 /nfs/dbraw/zinc/49/98/04/1069499804.db2.gz FICRJCNQCWUUQQ-SJORKVTESA-N 1 0 453.613 -0.120 20 0 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20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCN4C(=O)C(=O)NC[C@H]4C3)nnc2C(C)(C)C)CC1 ZINC001615884585 1069500551 /nfs/dbraw/zinc/50/05/51/1069500551.db2.gz CQWRMKCTIFSXSB-MSOLQXFVSA-N 1 0 460.627 -0.004 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)nnc2C(C)(C)C)CC1 ZINC001615884586 1069500443 /nfs/dbraw/zinc/50/04/43/1069500443.db2.gz CQWRMKCTIFSXSB-QZTJIDSGSA-N 1 0 460.627 -0.004 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCN4C(=O)C(=O)NC[C@H]4C3)nnc2C(C)(C)C)CC1 ZINC001615884587 1069500128 /nfs/dbraw/zinc/50/01/28/1069500128.db2.gz CQWRMKCTIFSXSB-ROUUACIJSA-N 1 0 460.627 -0.004 20 0 JBADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)nnc2C(C)(C)C)CC1 ZINC001615884588 1069500497 /nfs/dbraw/zinc/50/04/97/1069500497.db2.gz CQWRMKCTIFSXSB-ZWKOTPCHSA-N 1 0 460.627 -0.004 20 0 JBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001615884938 1069500412 /nfs/dbraw/zinc/50/04/12/1069500412.db2.gz KGPQXCPAGPVUPG-MOPGFXCFSA-N 1 0 476.626 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CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001615886013 1069500528 /nfs/dbraw/zinc/50/05/28/1069500528.db2.gz OSZBCYOUKLJAKD-MSOLQXFVSA-N 1 0 498.654 -0.053 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001615886014 1069500540 /nfs/dbraw/zinc/50/05/40/1069500540.db2.gz OSZBCYOUKLJAKD-QZTJIDSGSA-N 1 0 498.654 -0.053 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC001615886015 1069500251 /nfs/dbraw/zinc/50/02/51/1069500251.db2.gz OSZBCYOUKLJAKD-ROUUACIJSA-N 1 0 498.654 -0.053 20 0 JBADRO CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001615886016 1069500896 /nfs/dbraw/zinc/50/08/96/1069500896.db2.gz OSZBCYOUKLJAKD-ZWKOTPCHSA-N 1 0 498.654 -0.053 20 0 JBADRO CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001615887354 1069501044 /nfs/dbraw/zinc/50/10/44/1069501044.db2.gz FDMJIWBIKSSGQL-JXFKEZNVSA-N 1 0 470.644 -0.382 20 0 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CCS(=O)(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001617367972 1069533690 /nfs/dbraw/zinc/53/36/90/1069533690.db2.gz KAKQWAWJFQRSMR-QGZVFWFLSA-N 1 0 498.654 -0.512 20 0 JBADRO CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617374607 1069534205 /nfs/dbraw/zinc/53/42/05/1069534205.db2.gz CMWVXRBEONLLNJ-GOSISDBHSA-N 1 0 483.639 -0.144 20 0 JBADRO CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617374608 1069534032 /nfs/dbraw/zinc/53/40/32/1069534032.db2.gz CMWVXRBEONLLNJ-SFHVURJKSA-N 1 0 483.639 -0.144 20 0 JBADRO CCS(=O)(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617375284 1069534603 /nfs/dbraw/zinc/53/46/03/1069534603.db2.gz OPWKGBCCLBORBM-KRWDZBQOSA-N 1 0 496.638 -0.697 20 0 JBADRO CCS(=O)(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617375285 1069534702 /nfs/dbraw/zinc/53/47/02/1069534702.db2.gz OPWKGBCCLBORBM-QGZVFWFLSA-N 1 0 496.638 -0.697 20 0 JBADRO CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001617383026 1069535652 /nfs/dbraw/zinc/53/56/52/1069535652.db2.gz BUUJNGKBTQDGII-INIZCTEOSA-N 1 0 457.601 -0.390 20 0 JBADRO CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001617383027 1069535546 /nfs/dbraw/zinc/53/55/46/1069535546.db2.gz BUUJNGKBTQDGII-MRXNPFEDSA-N 1 0 457.601 -0.390 20 0 JBADRO CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001617383426 1069535478 /nfs/dbraw/zinc/53/54/78/1069535478.db2.gz JMJQOLDHTLQTIO-UHFFFAOYSA-N 1 0 469.612 -0.246 20 0 JBADRO CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001617383737 1069535584 /nfs/dbraw/zinc/53/55/84/1069535584.db2.gz NQOJGAOHTVDFJO-UHFFFAOYSA-N 1 0 471.628 -0.096 20 0 JBADRO CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617384048 1069536030 /nfs/dbraw/zinc/53/60/30/1069536030.db2.gz WCNXWPUUVWXTIK-UHFFFAOYSA-N 1 0 496.638 -0.802 20 0 JBADRO CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617390927 1069536530 /nfs/dbraw/zinc/53/65/30/1069536530.db2.gz PPFDETGHTOCHML-INIZCTEOSA-N 1 0 452.585 -0.224 20 0 JBADRO CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617390928 1069536479 /nfs/dbraw/zinc/53/64/79/1069536479.db2.gz PPFDETGHTOCHML-MRXNPFEDSA-N 1 0 452.585 -0.224 20 0 JBADRO CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617391271 1069536507 /nfs/dbraw/zinc/53/65/07/1069536507.db2.gz VKZJAZTXXFXQCZ-UHFFFAOYSA-N 1 0 479.611 -0.638 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001617392462 1069536446 /nfs/dbraw/zinc/53/64/46/1069536446.db2.gz KBUNQSLZUGOIFT-NVXWUHKLSA-N 1 0 469.612 -0.142 20 0 JBADRO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001617392464 1069536518 /nfs/dbraw/zinc/53/65/18/1069536518.db2.gz KBUNQSLZUGOIFT-WBVHZDCISA-N 1 0 469.612 -0.142 20 0 JBADRO CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617398619 1069537913 /nfs/dbraw/zinc/53/79/13/1069537913.db2.gz MVNNYZOQMXMQFK-UHFFFAOYSA-N 1 0 490.634 -0.052 20 0 JBADRO CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617405621 1069538718 /nfs/dbraw/zinc/53/87/18/1069538718.db2.gz DAVHLVCSFABGTF-AJXXGZDZSA-N 1 0 462.642 -0.185 20 0 JBADRO CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617405622 1069538755 /nfs/dbraw/zinc/53/87/55/1069538755.db2.gz DAVHLVCSFABGTF-DUOAEJKSSA-N 1 0 462.642 -0.185 20 0 JBADRO CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617405623 1069538804 /nfs/dbraw/zinc/53/88/04/1069538804.db2.gz DAVHLVCSFABGTF-LXLLPEIISA-N 1 0 462.642 -0.185 20 0 JBADRO CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617405624 1069538874 /nfs/dbraw/zinc/53/88/74/1069538874.db2.gz DAVHLVCSFABGTF-YPOBSOSXSA-N 1 0 462.642 -0.185 20 0 JBADRO CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617405941 1069539330 /nfs/dbraw/zinc/53/93/30/1069539330.db2.gz JDQOYVBHQJSUPU-AZYRPFHASA-N 1 0 489.668 -0.599 20 0 JBADRO CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617405942 1069539372 /nfs/dbraw/zinc/53/93/72/1069539372.db2.gz JDQOYVBHQJSUPU-MKTHODDLSA-N 1 0 489.668 -0.599 20 0 JBADRO CC[S@@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617405943 1069539289 /nfs/dbraw/zinc/53/92/89/1069539289.db2.gz JDQOYVBHQJSUPU-RKXCMPKHSA-N 1 0 489.668 -0.599 20 0 JBADRO CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617405944 1069539297 /nfs/dbraw/zinc/53/92/97/1069539297.db2.gz JDQOYVBHQJSUPU-ZYSBOAIWSA-N 1 0 489.668 -0.599 20 0 JBADRO CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001617429226 1069539805 /nfs/dbraw/zinc/53/98/05/1069539805.db2.gz QNDPALBIFJCLEF-JDEFPPCYSA-N 1 0 451.597 -0.259 20 0 JBADRO CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001617429230 1069539895 /nfs/dbraw/zinc/53/98/95/1069539895.db2.gz QNDPALBIFJCLEF-PRSFHMQYSA-N 1 0 451.597 -0.259 20 0 JBADRO CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001617429238 1069539867 /nfs/dbraw/zinc/53/98/67/1069539867.db2.gz QNDPALBIFJCLEF-RYRZJZHYSA-N 1 0 451.597 -0.259 20 0 JBADRO CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001617429241 1069539698 /nfs/dbraw/zinc/53/96/98/1069539698.db2.gz QNDPALBIFJCLEF-YXERLDLWSA-N 1 0 451.597 -0.259 20 0 JBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](C)(C(N)=O)C3)CC2)cc1OC ZINC001617493168 1069540779 /nfs/dbraw/zinc/54/07/79/1069540779.db2.gz PXLTUKJSWMIBSL-FQEVSTJZSA-N 1 0 454.549 -0.266 20 0 JBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C(N)=O)C3)CC2)cc1OC ZINC001617493171 1069540815 /nfs/dbraw/zinc/54/08/15/1069540815.db2.gz PXLTUKJSWMIBSL-HXUWFJFHSA-N 1 0 454.549 -0.266 20 0 JBADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001617535425 1069540928 /nfs/dbraw/zinc/54/09/28/1069540928.db2.gz OEYMNOGGFBTJIV-INIZCTEOSA-N 1 0 459.590 -0.061 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001617574445 1069541360 /nfs/dbraw/zinc/54/13/60/1069541360.db2.gz RMRCBJRJRYWXKP-BBWFWOEESA-N 1 0 460.583 -0.126 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001617574446 1069541408 /nfs/dbraw/zinc/54/14/08/1069541408.db2.gz RMRCBJRJRYWXKP-GVDBMIGSSA-N 1 0 460.583 -0.126 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001617574447 1069541634 /nfs/dbraw/zinc/54/16/34/1069541634.db2.gz RMRCBJRJRYWXKP-IKGGRYGDSA-N 1 0 460.583 -0.126 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001617574448 1069541386 /nfs/dbraw/zinc/54/13/86/1069541386.db2.gz RMRCBJRJRYWXKP-ULQDDVLXSA-N 1 0 460.583 -0.126 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001617574449 1069541559 /nfs/dbraw/zinc/54/15/59/1069541559.db2.gz RMRCBJRJRYWXKP-YESZJQIVSA-N 1 0 460.583 -0.126 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001617574450 1069541529 /nfs/dbraw/zinc/54/15/29/1069541529.db2.gz RMRCBJRJRYWXKP-ZACQAIPSSA-N 1 0 460.583 -0.126 20 0 JBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)C1 ZINC001617574457 1069541587 /nfs/dbraw/zinc/54/15/87/1069541587.db2.gz RSZQKFIFJDWQHW-INIZCTEOSA-N 1 0 469.550 -0.196 20 0 JBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)C1 ZINC001617574458 1069541489 /nfs/dbraw/zinc/54/14/89/1069541489.db2.gz RSZQKFIFJDWQHW-MRXNPFEDSA-N 1 0 469.550 -0.196 20 0 JBADRO CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001617602180 1069543049 /nfs/dbraw/zinc/54/30/49/1069543049.db2.gz ZELAUAJNCFVMGO-GOSISDBHSA-N 1 0 499.638 -0.610 20 0 JBADRO CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001617602195 1069542983 /nfs/dbraw/zinc/54/29/83/1069542983.db2.gz ZELAUAJNCFVMGO-SFHVURJKSA-N 1 0 499.638 -0.610 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617615528 1069543685 /nfs/dbraw/zinc/54/36/85/1069543685.db2.gz AUIQYMQKRPDXDI-INIZCTEOSA-N 1 0 467.596 -0.987 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617615529 1069543509 /nfs/dbraw/zinc/54/35/09/1069543509.db2.gz AUIQYMQKRPDXDI-MRXNPFEDSA-N 1 0 467.596 -0.987 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001617615836 1069543525 /nfs/dbraw/zinc/54/35/25/1069543525.db2.gz GPHDBORBMMFCDX-GOSISDBHSA-N 1 0 499.638 -0.752 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001617615837 1069543628 /nfs/dbraw/zinc/54/36/28/1069543628.db2.gz GPHDBORBMMFCDX-SFHVURJKSA-N 1 0 499.638 -0.752 20 0 JBADRO CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617616421 1069543608 /nfs/dbraw/zinc/54/36/08/1069543608.db2.gz NLDMUCPEPLOMFF-IAGOWNOFSA-N 1 0 454.597 -0.183 20 0 JBADRO CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001617616422 1069543654 /nfs/dbraw/zinc/54/36/54/1069543654.db2.gz NLDMUCPEPLOMFF-SJORKVTESA-N 1 0 454.597 -0.183 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001617627289 1069545522 /nfs/dbraw/zinc/54/55/22/1069545522.db2.gz XVLPIFXNQXVACU-MSOLQXFVSA-N 1 0 467.640 -0.269 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001617627290 1069545538 /nfs/dbraw/zinc/54/55/38/1069545538.db2.gz XVLPIFXNQXVACU-QZTJIDSGSA-N 1 0 467.640 -0.269 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001617627291 1069545326 /nfs/dbraw/zinc/54/53/26/1069545326.db2.gz XVLPIFXNQXVACU-ROUUACIJSA-N 1 0 467.640 -0.269 20 0 JBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001617627292 1069545427 /nfs/dbraw/zinc/54/54/27/1069545427.db2.gz XVLPIFXNQXVACU-ZWKOTPCHSA-N 1 0 467.640 -0.269 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1)C1CC1 ZINC001617642085 1069545445 /nfs/dbraw/zinc/54/54/45/1069545445.db2.gz FNYBMGPCCHOJFN-CVEARBPZSA-N 1 0 476.625 -0.814 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1)C1CC1 ZINC001617642089 1069545557 /nfs/dbraw/zinc/54/55/57/1069545557.db2.gz FNYBMGPCCHOJFN-HOTGVXAUSA-N 1 0 476.625 -0.814 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1)C1CC1 ZINC001617642090 1069545571 /nfs/dbraw/zinc/54/55/71/1069545571.db2.gz FNYBMGPCCHOJFN-HZPDHXFCSA-N 1 0 476.625 -0.814 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1)C1CC1 ZINC001617642091 1069545404 /nfs/dbraw/zinc/54/54/04/1069545404.db2.gz FNYBMGPCCHOJFN-JKSUJKDBSA-N 1 0 476.625 -0.814 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC001617642529 1069545515 /nfs/dbraw/zinc/54/55/15/1069545515.db2.gz JDFQDLDOXQAWHF-DLBZAZTESA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC001617642530 1069545489 /nfs/dbraw/zinc/54/54/89/1069545489.db2.gz JDFQDLDOXQAWHF-IAGOWNOFSA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC001617642531 1069545394 /nfs/dbraw/zinc/54/53/94/1069545394.db2.gz JDFQDLDOXQAWHF-IRXDYDNUSA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC001617642532 1069545465 /nfs/dbraw/zinc/54/54/65/1069545465.db2.gz JDFQDLDOXQAWHF-SJORKVTESA-N 1 0 469.612 -0.347 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CCC1 ZINC001617655547 1069545960 /nfs/dbraw/zinc/54/59/60/1069545960.db2.gz JYCZABFPOAICNA-CABCVRRESA-N 1 0 455.585 -0.593 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CCC1 ZINC001617655548 1069545777 /nfs/dbraw/zinc/54/57/77/1069545777.db2.gz JYCZABFPOAICNA-GJZGRUSLSA-N 1 0 455.585 -0.593 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CCC1 ZINC001617655551 1069545752 /nfs/dbraw/zinc/54/57/52/1069545752.db2.gz JYCZABFPOAICNA-HUUCEWRRSA-N 1 0 455.585 -0.593 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CCC1 ZINC001617655553 1069545996 /nfs/dbraw/zinc/54/59/96/1069545996.db2.gz JYCZABFPOAICNA-LSDHHAIUSA-N 1 0 455.585 -0.593 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](C(N)=O)C2)CCC1 ZINC001617655654 1069545897 /nfs/dbraw/zinc/54/58/97/1069545897.db2.gz LIRSHEGNPQGESV-CVEARBPZSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C(N)=O)C2)CCC1 ZINC001617655656 1069545873 /nfs/dbraw/zinc/54/58/73/1069545873.db2.gz LIRSHEGNPQGESV-HOTGVXAUSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@H](C(N)=O)C2)CCC1 ZINC001617655657 1069545949 /nfs/dbraw/zinc/54/59/49/1069545949.db2.gz LIRSHEGNPQGESV-HZPDHXFCSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@H](C(N)=O)C2)CCC1 ZINC001617655658 1069545768 /nfs/dbraw/zinc/54/57/68/1069545768.db2.gz LIRSHEGNPQGESV-JKSUJKDBSA-N 1 0 469.612 -0.203 20 0 JBADRO C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CCOCC1 ZINC001617656145 1069545988 /nfs/dbraw/zinc/54/59/88/1069545988.db2.gz QAHQAPKHHXDFNN-GOSISDBHSA-N 1 0 486.639 -0.070 20 0 JBADRO C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)CCOCC1 ZINC001617656150 1069545818 /nfs/dbraw/zinc/54/58/18/1069545818.db2.gz QAHQAPKHHXDFNN-SFHVURJKSA-N 1 0 486.639 -0.070 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001617678426 1069546406 /nfs/dbraw/zinc/54/64/06/1069546406.db2.gz NIUUEAJQLMDBLX-UHFFFAOYSA-N 1 0 485.593 -0.170 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001617679064 1069546305 /nfs/dbraw/zinc/54/63/05/1069546305.db2.gz PCCLCUNIWWIDKS-KRWDZBQOSA-N 1 0 490.609 -0.676 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001617679065 1069546498 /nfs/dbraw/zinc/54/64/98/1069546498.db2.gz PCCLCUNIWWIDKS-QGZVFWFLSA-N 1 0 490.609 -0.676 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001617682261 1069546363 /nfs/dbraw/zinc/54/63/63/1069546363.db2.gz BPXQPVLRIDTSPR-GOSISDBHSA-N 1 0 477.610 -0.123 20 0 JBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001617682262 1069546251 /nfs/dbraw/zinc/54/62/51/1069546251.db2.gz BPXQPVLRIDTSPR-SFHVURJKSA-N 1 0 477.610 -0.123 20 0 JBADRO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C[NH+](C)C)c2)CC1=O ZINC001617686152 1069546457 /nfs/dbraw/zinc/54/64/57/1069546457.db2.gz PZQQCZKAHWAPLD-IBGZPJMESA-N 1 0 491.618 -0.001 20 0 JBADRO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(C[NH+](C)C)c2)CC1=O ZINC001617686153 1069546316 /nfs/dbraw/zinc/54/63/16/1069546316.db2.gz PZQQCZKAHWAPLD-LJQANCHMSA-N 1 0 491.618 -0.001 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCNC(=O)C3)n2CCOCC[NH+](C)C)c1 ZINC001617696543 1069546441 /nfs/dbraw/zinc/54/64/41/1069546441.db2.gz BRCFZBNXSMIHOZ-UHFFFAOYSA-N 1 0 465.580 -0.290 20 0 JBADRO C[NH+](C)CCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001617696741 1069546284 /nfs/dbraw/zinc/54/62/84/1069546284.db2.gz HMTGCVGMIKGYKF-UHFFFAOYSA-N 1 0 456.551 -0.155 20 0 JBADRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001617697462 1069546375 /nfs/dbraw/zinc/54/63/75/1069546375.db2.gz ISQMSCWFRPQIKC-UHFFFAOYSA-N 1 0 457.601 -0.390 20 0 JBADRO C[NH+](C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001617697468 1069546391 /nfs/dbraw/zinc/54/63/91/1069546391.db2.gz IWTJRQWTQTVPPT-UHFFFAOYSA-N 1 0 499.576 -0.569 20 0 JBADRO C[NH+](C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001617698080 1069546344 /nfs/dbraw/zinc/54/63/44/1069546344.db2.gz NUFUZRRUDBZAAE-UHFFFAOYSA-N 1 0 466.568 -0.415 20 0 JBADRO CN1C(=O)NC2(CCN(c3nnc(C(=O)N4CCCC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001617698504 1069546472 /nfs/dbraw/zinc/54/64/72/1069546472.db2.gz QPIDPMZKVZGFMR-UHFFFAOYSA-N 1 0 462.555 -0.387 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001617699444 1069546237 /nfs/dbraw/zinc/54/62/37/1069546237.db2.gz FBVPHJOWSLTELR-INIZCTEOSA-N 1 0 469.612 -0.248 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001617699445 1069546425 /nfs/dbraw/zinc/54/64/25/1069546425.db2.gz FBVPHJOWSLTELR-MRXNPFEDSA-N 1 0 469.612 -0.248 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001617699806 1069547028 /nfs/dbraw/zinc/54/70/28/1069547028.db2.gz NTGRLMXDEWWNER-FXAWDEMLSA-N 1 0 472.612 -0.194 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001617699807 1069546765 /nfs/dbraw/zinc/54/67/65/1069546765.db2.gz NTGRLMXDEWWNER-PXNSSMCTSA-N 1 0 472.612 -0.194 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001617699808 1069547035 /nfs/dbraw/zinc/54/70/35/1069547035.db2.gz NTGRLMXDEWWNER-XLIONFOSSA-N 1 0 472.612 -0.194 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001617699809 1069546918 /nfs/dbraw/zinc/54/69/18/1069546918.db2.gz NTGRLMXDEWWNER-YLJYHZDGSA-N 1 0 472.612 -0.194 20 0 JBADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001617700153 1069546838 /nfs/dbraw/zinc/54/68/38/1069546838.db2.gz WWOXSHOINSMDSR-KRWDZBQOSA-N 1 0 476.582 -0.922 20 0 JBADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001617700154 1069546784 /nfs/dbraw/zinc/54/67/84/1069546784.db2.gz WWOXSHOINSMDSR-QGZVFWFLSA-N 1 0 476.582 -0.922 20 0 JBADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001617703131 1069546940 /nfs/dbraw/zinc/54/69/40/1069546940.db2.gz RIBZFZBVWCFDHH-GOSISDBHSA-N 1 0 483.639 -0.017 20 0 JBADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001617703133 1069546909 /nfs/dbraw/zinc/54/69/09/1069546909.db2.gz RIBZFZBVWCFDHH-SFHVURJKSA-N 1 0 483.639 -0.017 20 0 JBADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001617703442 1069546880 /nfs/dbraw/zinc/54/68/80/1069546880.db2.gz WZESZAWBVYIMHE-UHFFFAOYSA-N 1 0 457.601 -0.550 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001617706538 1069548073 /nfs/dbraw/zinc/54/80/73/1069548073.db2.gz XJNKYJSJNYPYRG-UHFFFAOYSA-N 1 0 469.612 -0.294 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617710067 1069547964 /nfs/dbraw/zinc/54/79/64/1069547964.db2.gz SZAAUAIIXWMGFN-UHFFFAOYSA-N 1 0 476.607 -0.024 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001617710081 1069548040 /nfs/dbraw/zinc/54/80/40/1069548040.db2.gz UNVWMHNLMHGGRX-UHFFFAOYSA-N 1 0 452.585 -0.129 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001617711570 1069548102 /nfs/dbraw/zinc/54/81/02/1069548102.db2.gz ADAWFLWZVWVBJO-KRWDZBQOSA-N 1 0 469.612 -0.331 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001617711571 1069548471 /nfs/dbraw/zinc/54/84/71/1069548471.db2.gz ADAWFLWZVWVBJO-QGZVFWFLSA-N 1 0 469.612 -0.331 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617711743 1069548538 /nfs/dbraw/zinc/54/85/38/1069548538.db2.gz FWBHBESASQRUDG-CVEARBPZSA-N 1 0 455.585 -0.721 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617711744 1069548513 /nfs/dbraw/zinc/54/85/13/1069548513.db2.gz FWBHBESASQRUDG-HOTGVXAUSA-N 1 0 455.585 -0.721 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617711745 1069548611 /nfs/dbraw/zinc/54/86/11/1069548611.db2.gz FWBHBESASQRUDG-HZPDHXFCSA-N 1 0 455.585 -0.721 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617711746 1069548560 /nfs/dbraw/zinc/54/85/60/1069548560.db2.gz FWBHBESASQRUDG-JKSUJKDBSA-N 1 0 455.585 -0.721 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001617714321 1069549582 /nfs/dbraw/zinc/54/95/82/1069549582.db2.gz DLAXAEHJSIUDLW-KRWDZBQOSA-N 1 0 469.612 -0.550 20 0 JBADRO CN(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001617714322 1069549544 /nfs/dbraw/zinc/54/95/44/1069549544.db2.gz DLAXAEHJSIUDLW-QGZVFWFLSA-N 1 0 469.612 -0.550 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001617716201 1069550123 /nfs/dbraw/zinc/55/01/23/1069550123.db2.gz XRDXMPLGBOVGHK-QGZVFWFLSA-N 1 0 469.612 -0.235 20 0 JBADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001617751296 1069549973 /nfs/dbraw/zinc/54/99/73/1069549973.db2.gz SCOJHMISPPSAHZ-CVEARBPZSA-N 1 0 453.613 -0.122 20 0 JBADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001617751297 1069550775 /nfs/dbraw/zinc/55/07/75/1069550775.db2.gz SCOJHMISPPSAHZ-HOTGVXAUSA-N 1 0 453.613 -0.122 20 0 JBADRO CN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001617751298 1069550553 /nfs/dbraw/zinc/55/05/53/1069550553.db2.gz SCOJHMISPPSAHZ-HZPDHXFCSA-N 1 0 453.613 -0.122 20 0 JBADRO CN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001617751299 1069550686 /nfs/dbraw/zinc/55/06/86/1069550686.db2.gz SCOJHMISPPSAHZ-JKSUJKDBSA-N 1 0 453.613 -0.122 20 0 JBADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617759008 1069551735 /nfs/dbraw/zinc/55/17/35/1069551735.db2.gz NCSOWYDLLKJKHU-CVEARBPZSA-N 1 0 490.652 -0.281 20 0 JBADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001617759011 1069551750 /nfs/dbraw/zinc/55/17/50/1069551750.db2.gz NCSOWYDLLKJKHU-HOTGVXAUSA-N 1 0 490.652 -0.281 20 0 JBADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001617759014 1069551617 /nfs/dbraw/zinc/55/16/17/1069551617.db2.gz NCSOWYDLLKJKHU-HZPDHXFCSA-N 1 0 490.652 -0.281 20 0 JBADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001617759016 1069551763 /nfs/dbraw/zinc/55/17/63/1069551763.db2.gz NCSOWYDLLKJKHU-JKSUJKDBSA-N 1 0 490.652 -0.281 20 0 JBADRO CN(CC(=O)N1CCOCC1)c1nnc(CN2CCCC2=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001617798075 1069554272 /nfs/dbraw/zinc/55/42/72/1069554272.db2.gz ANBFFLHMQMNMFO-UHFFFAOYSA-N 1 0 476.626 -0.279 20 0 JBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC001617928830 1069555466 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C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001618467139 1069563864 /nfs/dbraw/zinc/56/38/64/1069563864.db2.gz RGTNNZSHUDVCKM-JKIFEVAISA-N 1 0 498.528 -0.555 20 0 JBADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001618467729 1069563723 /nfs/dbraw/zinc/56/37/23/1069563723.db2.gz WZTMVCFGMAEAOL-BEFAXECRSA-N 1 0 450.569 -0.433 20 0 JBADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001618467733 1069563662 /nfs/dbraw/zinc/56/36/62/1069563662.db2.gz WZTMVCFGMAEAOL-DNVCBOLYSA-N 1 0 450.569 -0.433 20 0 JBADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001618467735 1069563816 /nfs/dbraw/zinc/56/38/16/1069563816.db2.gz WZTMVCFGMAEAOL-HNAYVOBHSA-N 1 0 450.569 -0.433 20 0 JBADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001618467737 1069563808 /nfs/dbraw/zinc/56/38/08/1069563808.db2.gz WZTMVCFGMAEAOL-KXBFYZLASA-N 1 0 450.569 -0.433 20 0 JBADRO CN(OC1CCCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618468161 1069563708 /nfs/dbraw/zinc/56/37/08/1069563708.db2.gz YGRVPFZRBSAVMS-APWZRJJASA-N 1 0 458.585 -0.012 20 0 JBADRO CN(OC1CCCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618468172 1069563753 /nfs/dbraw/zinc/56/37/53/1069563753.db2.gz YGRVPFZRBSAVMS-LPHOPBHVSA-N 1 0 458.585 -0.012 20 0 JBADRO CN(OC1CCCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618468177 1069563855 /nfs/dbraw/zinc/56/38/55/1069563855.db2.gz YGRVPFZRBSAVMS-QFBILLFUSA-N 1 0 458.585 -0.012 20 0 JBADRO CN(OC1CCCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618468178 1069563740 /nfs/dbraw/zinc/56/37/40/1069563740.db2.gz YGRVPFZRBSAVMS-VQIMIIECSA-N 1 0 458.585 -0.012 20 0 JBADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001618468596 1069563885 /nfs/dbraw/zinc/56/38/85/1069563885.db2.gz MAZSGQBOXBYOLR-HRAATJIYSA-N 1 0 477.591 -0.426 20 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RQBYCPFVYVPSNG-QFIPXVFZSA-N 1 0 492.602 -0.290 20 0 JBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCNS(C)(=O)=O)CC1 ZINC001618473410 1069563837 /nfs/dbraw/zinc/56/38/37/1069563837.db2.gz AJSZAFZOHIGBRN-KRWDZBQOSA-N 1 0 464.596 -0.045 20 0 JBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCCNS(C)(=O)=O)CC1 ZINC001618473413 1069564333 /nfs/dbraw/zinc/56/43/33/1069564333.db2.gz AJSZAFZOHIGBRN-QGZVFWFLSA-N 1 0 464.596 -0.045 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCS(C)(=O)=O)cn1 ZINC001618474286 1069564523 /nfs/dbraw/zinc/56/45/23/1069564523.db2.gz DIYCTMFXTYTCKR-INIZCTEOSA-N 1 0 450.569 -0.534 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CCS(C)(=O)=O)cn1 ZINC001618474288 1069564443 /nfs/dbraw/zinc/56/44/43/1069564443.db2.gz DIYCTMFXTYTCKR-MRXNPFEDSA-N 1 0 450.569 -0.534 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001618474800 1069564292 /nfs/dbraw/zinc/56/42/92/1069564292.db2.gz IULHDCBHAXLDBQ-MSOLQXFVSA-N 1 0 483.639 -0.194 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001618474801 1069564564 /nfs/dbraw/zinc/56/45/64/1069564564.db2.gz IULHDCBHAXLDBQ-QZTJIDSGSA-N 1 0 483.639 -0.194 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001618474802 1069564412 /nfs/dbraw/zinc/56/44/12/1069564412.db2.gz IULHDCBHAXLDBQ-ROUUACIJSA-N 1 0 483.639 -0.194 20 0 JBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001618474803 1069564218 /nfs/dbraw/zinc/56/42/18/1069564218.db2.gz IULHDCBHAXLDBQ-ZWKOTPCHSA-N 1 0 483.639 -0.194 20 0 JBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccccn3)n2CCNS(C)(=O)=O)CC1 ZINC001618476086 1069564360 /nfs/dbraw/zinc/56/43/60/1069564360.db2.gz UVVWYVRDEVUWSH-KRWDZBQOSA-N 1 0 462.580 -0.368 20 0 JBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccccn3)n2CCNS(C)(=O)=O)CC1 ZINC001618476092 1069564485 /nfs/dbraw/zinc/56/44/85/1069564485.db2.gz UVVWYVRDEVUWSH-QGZVFWFLSA-N 1 0 462.580 -0.368 20 0 JBADRO C[N@@H+]1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001618487375 1069567012 /nfs/dbraw/zinc/56/70/12/1069567012.db2.gz CDKUMGRPXVFTLT-INIZCTEOSA-N 1 0 474.653 -0.559 20 0 JBADRO C[N@@H+]1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001618487376 1069567074 /nfs/dbraw/zinc/56/70/74/1069567074.db2.gz CDKUMGRPXVFTLT-MRXNPFEDSA-N 1 0 474.653 -0.559 20 0 JBADRO C[N@@H+]1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001618489179 1069567115 /nfs/dbraw/zinc/56/71/15/1069567115.db2.gz TUFORYFURBHWAY-KRWDZBQOSA-N 1 0 462.599 -0.274 20 0 JBADRO C[N@@H+]1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OCC(N)=O)CC2)CC1(C)C ZINC001618489180 1069567404 /nfs/dbraw/zinc/56/74/04/1069567404.db2.gz TUFORYFURBHWAY-QGZVFWFLSA-N 1 0 462.599 -0.274 20 0 JBADRO Cn1cc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC001618489447 1069567537 /nfs/dbraw/zinc/56/75/37/1069567537.db2.gz ULGKHTJDNJJSOR-UHFFFAOYSA-N 1 0 465.628 -0.214 20 0 JBADRO CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001618498556 1069567693 /nfs/dbraw/zinc/56/76/93/1069567693.db2.gz DYQGZJYBHWDTCF-CVEARBPZSA-N 1 0 471.628 -0.181 20 0 JBADRO CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001618498557 1069567458 /nfs/dbraw/zinc/56/74/58/1069567458.db2.gz DYQGZJYBHWDTCF-HOTGVXAUSA-N 1 0 471.628 -0.181 20 0 JBADRO CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001618498558 1069567724 /nfs/dbraw/zinc/56/77/24/1069567724.db2.gz DYQGZJYBHWDTCF-HZPDHXFCSA-N 1 0 471.628 -0.181 20 0 JBADRO CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001618498559 1069567625 /nfs/dbraw/zinc/56/76/25/1069567625.db2.gz DYQGZJYBHWDTCF-JKSUJKDBSA-N 1 0 471.628 -0.181 20 0 JBADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c3ccc4c(c3)OCCO4)C[C@H]2C1 ZINC001618501320 1069568305 /nfs/dbraw/zinc/56/83/05/1069568305.db2.gz UCVNBOOXICORMF-IJEWVQPXSA-N 1 0 452.533 -0.610 20 0 JBADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c3ccc4c(c3)OCCO4)C[C@H]2C1 ZINC001618501322 1069568016 /nfs/dbraw/zinc/56/80/16/1069568016.db2.gz UCVNBOOXICORMF-LZWOXQAQSA-N 1 0 452.533 -0.610 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCOCC1 ZINC001618531758 1069568821 /nfs/dbraw/zinc/56/88/21/1069568821.db2.gz XSZZJFOBQUOHKS-CABCVRRESA-N 1 0 459.617 -0.183 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCOCC1 ZINC001618531759 1069568726 /nfs/dbraw/zinc/56/87/26/1069568726.db2.gz XSZZJFOBQUOHKS-GJZGRUSLSA-N 1 0 459.617 -0.183 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCOCC1 ZINC001618531760 1069568830 /nfs/dbraw/zinc/56/88/30/1069568830.db2.gz XSZZJFOBQUOHKS-HUUCEWRRSA-N 1 0 459.617 -0.183 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCOCC1 ZINC001618531762 1069568636 /nfs/dbraw/zinc/56/86/36/1069568636.db2.gz XSZZJFOBQUOHKS-LSDHHAIUSA-N 1 0 459.617 -0.183 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001618554347 1069569200 /nfs/dbraw/zinc/56/92/00/1069569200.db2.gz JCPVBGXQIBDONN-CVEARBPZSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001618554348 1069569270 /nfs/dbraw/zinc/56/92/70/1069569270.db2.gz JCPVBGXQIBDONN-HOTGVXAUSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001618554349 1069569109 /nfs/dbraw/zinc/56/91/09/1069569109.db2.gz JCPVBGXQIBDONN-HZPDHXFCSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCC1 ZINC001618554350 1069569143 /nfs/dbraw/zinc/56/91/43/1069569143.db2.gz JCPVBGXQIBDONN-JKSUJKDBSA-N 1 0 471.628 -0.086 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C(C)C ZINC001618555870 1069569227 /nfs/dbraw/zinc/56/92/27/1069569227.db2.gz OHIMXHYXCDPXPI-CVEARBPZSA-N 1 0 459.617 -0.231 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C(C)C ZINC001618555871 1069569169 /nfs/dbraw/zinc/56/91/69/1069569169.db2.gz OHIMXHYXCDPXPI-HOTGVXAUSA-N 1 0 459.617 -0.231 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C(C)C ZINC001618555872 1069569210 /nfs/dbraw/zinc/56/92/10/1069569210.db2.gz OHIMXHYXCDPXPI-HZPDHXFCSA-N 1 0 459.617 -0.231 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C(C)C ZINC001618555873 1069569291 /nfs/dbraw/zinc/56/92/91/1069569291.db2.gz OHIMXHYXCDPXPI-JKSUJKDBSA-N 1 0 459.617 -0.231 20 0 JBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 ZINC001618556027 1069569192 /nfs/dbraw/zinc/56/91/92/1069569192.db2.gz POHBVMGCXZYNHO-CVEARBPZSA-N 1 0 457.601 -0.475 20 0 JBADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCCC1 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ZINC001618646568 1069572824 /nfs/dbraw/zinc/57/28/24/1069572824.db2.gz PLTMLCJHCSOYPW-ARFHVFGLSA-N 1 0 457.601 -0.477 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001618646569 1069573342 /nfs/dbraw/zinc/57/33/42/1069573342.db2.gz PLTMLCJHCSOYPW-BZUAXINKSA-N 1 0 457.601 -0.477 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001618646571 1069573256 /nfs/dbraw/zinc/57/32/56/1069573256.db2.gz PLTMLCJHCSOYPW-OAGGEKHMSA-N 1 0 457.601 -0.477 20 0 JBADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C)C1 ZINC001618646572 1069573318 /nfs/dbraw/zinc/57/33/18/1069573318.db2.gz PLTMLCJHCSOYPW-XHSDSOJGSA-N 1 0 457.601 -0.477 20 0 JBADRO CNC(=O)[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)C1 ZINC001618646984 1069573284 /nfs/dbraw/zinc/57/32/84/1069573284.db2.gz SEHWTNGWFKNKKZ-DLBZAZTESA-N 1 0 487.627 -0.848 20 0 JBADRO 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